#DEFINITION	Reference Metabolome for Bletilla striata
#IDENTTFIER	RefMeta-Bletilla striata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Bletilla striata
#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 Bletilla striata was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	0.4
77.03532	0.2
77.03910	0.9
78.38517	0.1
79.05490	3.6
81.03414	2.3
81.06589	0.2
81.07051	3.1
83.04970	0.5
83.08611	0.6
85.02902	0.9
91.05479	2.0
93.07043	2.5
95.04964	2.6
95.08605	2.6
97.02883	1.5
97.06530	0.2
97.10160	0.3
99.04436	0.5
103.03931	0.3
105.04504	1.1
105.07034	2.2
107.04953	100.0
107.08572	1.3
108.05267	1.0
109.02901	0.5
109.06525	0.2
109.10156	1.3
111.04445	0.7
111.11718	0.2
115.05465	0.2
117.07008	1.1
118.06563	0.2
119.08591	1.5
121.06493	0.7
121.10133	1.1
123.04437	0.2
123.08063	0.3
123.11732	0.5
127.03898	0.7
128.06233	0.3
129.06981	0.8
131.04945	1.4
131.08574	1.3
132.58383	0.2
133.06499	2.3
133.10150	0.9
135.08049	0.4
135.11694	0.8
141.06970	0.6
143.08571	0.4
144.05719	0.5
145.04941	0.3
145.06490	3.0
145.10078	0.8
147.08060	0.8
147.11702	0.6
149.05997	0.3
149.09653	0.3
149.13278	0.4
153.06982	0.3
155.08582	0.5
157.06502	4.5
157.10129	0.6
159.08063	1.8
159.11674	0.9
161.09615	1.3
161.13271	0.5
165.06992	0.4
167.08560	0.3
169.06517	0.8
169.10173	0.4
170.07242	0.3
171.08035	2.1
171.11685	0.2
173.06001	0.8
173.09598	1.3
173.13277	0.4
175.11220	0.7
175.14830	0.2
177.08989	0.1
181.06442	1.1
181.10077	0.2
182.07097	0.2
183.08044	1.3
183.11714	0.3
184.08858	0.2
185.09608	1.7
185.13287	0.3
187.07539	0.4
187.11124	0.9
187.14859	0.2
189.12737	0.2
193.10095	0.2
195.08052	0.9
195.11652	0.3
197.05983	0.5
197.09552	1.4
199.07689	0.2
199.11200	1.1
199.14922	0.2
201.12711	1.0
207.08084	0.5
207.11693	0.2
209.09641	0.8
209.13400	0.2
211.07585	0.4
211.11115	0.8
213.09146	0.4
213.12759	1.1
215.07085	0.3
215.14374	0.7
221.09702	0.3
223.07567	0.4
223.11198	0.6
225.09193	0.2
225.12726	0.8
227.10852	0.2
227.14275	0.6
229.15926	0.4
235.07622	0.2
235.11206	0.4
237.09047	0.3
237.12662	0.4
239.10712	0.3
239.14297	0.6
241.12453	0.2
241.15967	0.3
247.11531	0.2
249.09177	0.3
249.12726	0.2
251.14278	0.3
253.15981	0.3
255.17520	0.2
259.20667	0.4
261.22162	0.7
265.12381	0.2
265.15942	0.4
267.13641	0.2
269.15765	0.2
269.19040	0.2
271.16846	0.2
273.22076	0.3
279.17319	0.2
283.16922	0.3
289.21509	0.2
293.19345	0.2
297.18375	0.3
307.16940	0.2
311.19983	0.2
321.18570	0.3
339.22968	0.2
349.25372	0.4
365.24835	0.9
367.26373	3.9
369.24274	0.7
373.25558	0.2
383.25958	0.2
385.23517	0.3
385.27914	0.2
387.25406	0.7
389.24780	0.2
391.26379	1.9
403.25513	0.2
405.26709	0.6
407.26190	0.2
409.27347	0.4
421.26596	0.4
423.27618	0.4
429.28128	0.2
433.27368	2.0
439.26590	0.2
447.28827	0.4
448.93542	0.2
451.28394	0.2
457.27316	0.9
475.28311	2.0
493.29407	1.4
511.30478	1.0
529.31915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	0.3
71.33383	0.2
73.02903	0.1
76.55805	0.1
77.03545	0.2
77.03908	0.9
79.05492	4.6
81.03413	2.6
81.07055	3.0
81.07529	0.2
83.04981	0.5
83.08618	0.4
85.02911	1.1
91.05484	2.2
93.07043	2.4
94.27392	0.2
95.04966	2.0
95.08603	2.6
97.02871	1.3
97.06502	0.2
97.10152	0.3
99.04475	0.3
103.03944	0.3
103.05516	0.2
103.53831	0.1
105.04530	1.1
105.07040	1.8
107.04955	100.0
107.08578	1.4
108.05286	0.6
109.02884	0.6
109.06525	0.2
109.10165	1.2
111.04438	0.8
111.08060	0.2
115.05458	0.4
115.62942	0.1
117.07017	1.2
119.04932	0.2
119.08583	1.4
121.02868	0.2
121.06499	0.6
121.10130	1.1
123.04432	0.2
123.08037	0.2
123.11686	0.5
127.03893	0.9
128.06235	0.3
129.07008	0.9
131.04921	1.2
131.08578	1.5
132.05721	0.1
133.06511	1.9
133.10130	1.1
135.08092	0.4
135.11719	0.6
137.09639	0.2
141.07013	0.5
142.07751	0.3
143.08549	0.9
144.05687	0.3
145.04874	0.3
145.06494	3.4
145.10103	1.0
147.08070	0.7
147.11725	0.7
149.05989	0.3
149.09607	0.3
149.13243	0.5
153.06943	0.2
155.08542	0.4
157.06477	4.2
157.10132	0.5
159.08063	1.7
159.11676	0.8
161.05984	0.3
161.09604	1.2
161.13274	0.5
164.34399	0.1
165.07010	0.4
167.08583	0.4
169.06476	0.8
169.10139	0.4
170.07243	0.3
171.08047	2.4
171.11743	0.4
173.06003	0.9
173.09622	1.3
173.13283	0.5
174.09378	0.1
175.11182	0.8
175.14868	0.2
179.08577	0.3
181.06476	1.4
181.10098	0.2
182.07294	0.3
183.08044	1.6
183.11658	0.3
184.08871	0.2
185.09584	1.8
185.13194	0.2
187.07614	0.2
187.11176	0.9
187.14818	0.3
189.12752	0.3
191.08652	0.1
195.08136	0.8
195.11656	0.2
196.08846	0.2
197.06024	0.7
197.09599	1.0
197.13251	0.2
199.07549	0.3
199.11179	1.3
201.12738	0.7
203.34338	0.2
207.08055	0.5
208.08968	0.2
209.09621	0.7
211.07590	0.2
211.11195	1.1
211.43988	0.2
213.09201	0.3
213.12735	0.8
213.16287	0.2
215.14326	0.6
221.09692	0.3
223.07567	0.5
223.11188	0.5
225.12837	0.7
227.14209	0.7
229.15842	0.2
235.07587	0.2
235.11182	0.2
237.12778	0.5
239.14374	0.5
241.15915	0.4
249.12759	0.3
251.14282	0.5
257.15347	0.3
259.20596	0.4
261.22174	0.8
263.10825	0.2
265.12100	0.3
265.15921	0.3
269.15329	0.2
273.22134	0.3
277.21634	0.2
279.17572	0.3
289.21561	0.2
291.23172	0.2
293.15424	0.2
296.10883	0.2
297.18475	0.4
301.21661	0.2
305.18680	0.2
311.19965	0.2
313.69223	0.1
323.16513	0.2
325.21371	0.2
333.18646	0.1
341.24741	0.2
349.25299	0.4
351.23221	0.3
365.24960	0.9
367.26376	3.9
368.26443	0.2
369.24255	0.6
379.26129	0.2
383.25659	0.2
385.23511	0.4
387.25308	0.6
391.26334	2.0
403.25244	0.3
405.26251	0.7
409.27405	0.5
421.26962	0.3
423.27426	0.4
429.27795	0.2
433.27457	1.7
447.28836	0.5
451.28439	0.2
457.27499	1.0
475.28394	2.5
478.73434	0.2
493.29422	1.6
511.30634	1.2
529.31750	0.4
561.25000	0.2
795.50665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86134	0.6
71.04993	0.2
71.08643	0.2
77.03935	0.7
79.05492	3.1
81.03422	2.4
81.07058	3.2
83.04966	0.6
83.08616	0.6
85.02892	0.9
85.06524	0.2
87.04464	0.1
91.05492	1.2
93.07047	1.8
95.04965	2.4
95.05576	0.2
95.08604	2.5
97.02888	1.1
97.06521	0.2
97.10194	0.3
98.21414	0.2
99.04463	0.3
103.03935	0.3
103.05465	0.2
105.04519	1.0
105.07031	1.3
107.04955	100.0
107.08590	1.1
108.05278	1.1
108.46493	0.1
109.02892	0.8
109.06531	0.2
109.10161	0.9
111.04433	0.7
111.08089	0.1
113.09630	0.1
115.03975	0.1
115.05453	0.2
117.07024	0.6
119.08620	0.7
121.02831	0.1
121.06498	0.6
121.10131	0.7
123.04399	0.3
123.08078	0.2
123.11720	0.4
125.09706	0.1
127.03942	0.7
128.06244	0.3
129.05447	0.2
129.06999	0.6
131.04941	1.4
131.08585	0.7
133.06493	4.3
133.07466	0.3
133.10127	0.5
135.11688	0.5
137.05948	0.2
137.09619	0.2
137.13283	0.2
139.11169	0.2
141.07014	0.5
143.08580	0.3
144.05704	0.5
145.04817	0.3
145.05162	0.2
145.06496	3.1
145.09004	0.1
145.10143	0.4
147.08031	1.6
147.11685	0.4
149.05951	0.2
149.09583	0.1
149.13264	0.3
153.06960	0.2
153.12726	0.2
155.08562	0.3
157.06494	3.0
157.10100	0.2
159.08069	1.7
159.11691	0.3
161.06012	0.2
161.09656	0.4
161.13264	0.4
163.14833	0.2
165.07043	0.2
167.08643	0.3
169.06467	0.9
171.08047	2.0
171.11667	0.2
173.05959	1.5
173.09586	0.8
173.13281	0.4
177.12761	0.3
178.07823	0.2
181.06519	0.4
183.08073	1.0
185.09633	0.8
185.13301	0.2
187.11221	0.4
194.07240	0.2
195.08122	0.5
197.05998	1.1
197.09654	1.0
199.07570	0.5
199.11154	0.3
200.97258	0.1
201.12761	0.5
203.14276	0.8
207.07990	0.3
209.09599	0.3
211.07567	0.2
211.11249	0.3
213.09186	0.6
213.12630	0.3
215.07159	0.3
215.14297	0.8
217.08580	0.2
217.15884	0.5
221.09738	0.4
223.07571	0.5
225.12749	0.3
227.14278	0.7
229.15823	0.6
231.17476	0.3
235.07539	0.2
235.11165	0.2
237.09172	0.4
237.12823	0.3
239.14337	0.5
241.15903	0.6
243.17407	0.5
243.21077	0.3
245.22755	0.2
251.14383	0.2
253.15913	0.5
255.17451	0.4
257.15399	0.3
257.18982	0.3
261.22198	0.4
265.16025	0.2
267.17474	0.4
269.15463	0.3
269.19049	0.2
271.16992	0.4
275.23560	0.2
279.22818	0.1
281.15314	0.2
281.19150	0.3
283.16983	0.3
285.18600	0.3
293.15375	0.4
293.18771	0.2
293.24738	0.4
295.17047	0.4
303.23264	0.2
305.15195	0.1
307.16891	0.4
309.18497	0.2
311.16245	0.2
317.24631	0.2
323.20212	0.2
335.25876	0.2
337.18060	0.2
351.26697	0.6
353.24838	0.2
367.26361	1.2
369.27911	7.1
370.28394	0.2
371.25638	0.6
375.26959	0.2
379.26376	0.2
381.27811	0.2
385.27383	0.5
387.24878	0.3
387.29129	0.5
389.26859	0.6
391.26407	0.3
393.27853	2.4
399.28937	0.2
405.26675	0.3
407.28058	0.6
409.27319	0.3
411.28888	0.5
417.27887	0.5
423.28964	0.3
425.18884	0.1
425.29105	0.3
431.29715	0.4
435.28931	4.0
436.28976	0.2
449.30380	0.6
453.30215	0.5
459.29025	1.7
477.30063	4.0
478.30261	0.2
495.31110	2.7
513.32056	1.2
531.33246	0.4
578.58344	0.1
860.87842	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	1006.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01328	0.1
71.04990	0.3
71.08630	0.2
73.02921	0.1
77.03934	0.7
79.05495	3.9
81.03418	2.6
81.07057	3.6
83.04977	0.4
83.08629	0.8
85.02448	0.1
85.02916	0.9
85.06575	0.2
85.10182	0.1
91.05488	1.5
93.07049	2.0
95.04967	2.4
95.08607	3.0
97.02888	1.3
97.06542	0.3
97.10163	0.4
99.04490	0.4
99.08133	0.1
100.68863	0.1
103.03964	0.3
103.05454	0.1
105.04526	1.2
105.06396	0.1
105.07032	1.6
106.88545	0.1
107.04958	100.0
107.08581	1.0
107.21008	0.1
108.05287	0.9
109.02890	0.8
109.06516	0.3
109.10148	0.9
111.04449	0.8
111.08044	0.1
111.11707	0.2
113.09678	0.1
115.05470	0.3
117.07021	0.8
119.04951	0.1
119.08592	0.9
121.02838	0.1
121.06501	0.6
121.10138	0.8
123.04438	0.3
123.08047	0.1
123.11703	0.5
123.12507	0.1
125.09660	0.1
127.03924	1.1
128.06239	0.2
129.05556	0.2
129.07016	0.7
131.04939	1.3
131.08571	1.1
133.06496	4.5
133.10155	0.6
135.08072	0.2
135.11688	0.4
137.06102	0.1
137.09634	0.1
137.13271	0.3
139.11208	0.1
141.07001	0.6
142.07755	0.1
143.08554	0.5
144.05687	0.4
145.05005	0.3
145.06490	3.3
145.10112	0.5
146.07173	0.1
147.08054	1.7
147.11674	0.4
149.05995	0.3
149.09689	0.2
149.13249	0.4
151.11232	0.1
151.14833	0.1
153.07022	0.2
155.06021	0.1
155.08582	0.4
157.06494	3.2
157.10114	0.3
158.07140	0.1
159.08067	2.1
159.11705	0.3
161.05968	0.1
161.09637	0.3
161.13263	0.4
163.11270	0.1
163.14842	0.3
165.07072	0.2
165.12790	0.2
167.08601	0.2
169.06480	0.8
169.07669	0.1
169.10167	0.3
171.08049	2.1
171.11713	0.2
173.05998	1.2
173.09625	1.0
173.13283	0.3
174.06607	0.1
175.07655	0.1
175.14787	0.3
177.12749	0.3
177.16447	0.1
178.07712	0.1
179.08583	0.3
179.14391	0.1
181.06459	0.4
181.10130	0.2
182.07306	0.1
183.08044	1.2
183.11617	0.1
184.08698	0.1
185.06058	0.2
185.09596	0.6
185.13297	0.1
187.07536	0.2
187.11145	0.4
187.14799	0.2
189.12683	0.2
191.14349	0.1
193.10179	0.1
193.15926	0.1
194.07280	0.1
195.08043	0.6
197.05981	1.0
197.07895	0.1
197.09633	0.8
199.07596	0.6
199.11206	0.3
199.14894	0.1
201.12769	0.5
201.16434	0.1
203.14316	0.6
207.08080	0.2
207.13776	0.1
209.09682	0.3
211.07582	0.2
211.11209	0.3
213.09140	0.6
213.12767	0.3
215.07057	0.3
215.14320	0.7
217.08540	0.1
217.12306	0.1
217.15886	0.7
219.08130	0.1
221.09633	0.3
223.05602	0.1
223.07535	0.6
223.11230	0.2
225.09158	0.2
225.12750	0.2
227.14371	0.6
229.15935	0.6
229.89166	0.1
231.17458	0.2
233.09743	0.1
235.07584	0.1
235.11154	0.2
237.09128	0.2
237.12770	0.2
239.14285	0.4
241.08562	0.1
241.15923	0.6
243.13826	0.1
243.17528	0.4
243.21202	0.1
245.15388	0.1
245.19173	0.1
245.22586	0.1
249.09213	0.1
251.10776	0.1
251.14371	0.1
253.12141	0.1
253.16019	0.4
255.17514	0.3
257.15399	0.2
257.19037	0.2
257.22794	0.2
259.20392	0.1
261.22168	0.4
263.10696	0.1
263.23596	0.4
267.13910	0.1
267.17517	0.3
269.15341	0.3
269.19067	0.2
271.16959	0.3
273.22324	0.1
275.23758	0.3
279.17480	0.2
279.23166	0.2
281.15378	0.2
281.18857	0.1
283.16925	0.4
283.20410	0.1
285.18533	0.3
293.15463	0.2
293.18948	0.2
293.24768	0.3
295.16913	0.2
295.20190	0.1
297.18546	0.1
299.20029	0.1
303.23199	0.3
305.24982	0.1
307.16833	0.1
309.18500	0.2
311.16479	0.1
313.21872	0.1
317.24829	0.1
321.18509	0.1
323.16531	0.1
323.20135	0.2
325.18021	0.1
335.25906	0.2
337.17987	0.2
337.21747	0.1
341.24765	0.1
343.26538	0.1
349.25320	0.1
351.19492	0.2
351.26895	0.4
353.24814	0.1
365.17413	0.1
367.26346	1.2
369.27911	5.7
370.28439	0.2
371.25809	0.6
375.26880	0.2
381.27774	0.2
385.27475	0.4
387.25034	0.2
387.28940	0.3
389.26846	0.6
390.41202	0.1
391.26367	0.3
393.27835	2.0
399.28571	0.1
405.26563	0.3
407.28104	0.8
409.27478	0.2
411.28836	0.3
417.27744	0.5
423.28662	0.3
425.29059	0.2
431.29453	0.3
435.28989	3.3
436.29285	0.1
437.29211	0.1
441.27756	0.1
449.30432	0.6
453.29926	0.4
459.23010	0.1
459.28943	1.4
465.29596	0.1
477.30029	3.6
478.30460	0.2
495.31094	2.2
506.73471	0.1
513.32275	1.2
531.33258	0.6
902.53229	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	1008.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	0.2
71.08630	0.3
73.02906	0.1
77.03934	0.7
77.72406	0.1
79.05494	2.7
81.03422	2.8
81.07055	1.9
83.04973	0.3
83.08633	0.8
85.02905	0.8
85.06548	0.2
85.10158	0.1
90.56397	0.1
91.05470	0.8
93.07037	1.0
95.04963	2.3
95.08610	1.8
97.02895	1.4
97.06531	0.3
97.10172	0.6
98.21647	0.2
99.04453	0.2
103.03935	0.3
105.04508	1.2
105.07019	1.0
107.04955	100.0
107.08571	0.6
108.05273	0.7
109.02883	1.0
109.06476	0.1
109.10160	0.8
111.04433	0.6
111.11720	0.2
115.05456	0.2
117.07014	0.2
119.04925	0.1
119.08595	0.4
121.02859	0.2
121.06499	0.4
121.10146	0.8
123.04433	0.2
123.11702	0.3
127.03902	1.3
128.06273	0.1
129.05521	0.1
129.07001	0.3
131.04942	1.0
131.08621	0.4
133.06493	6.0
133.10138	0.3
135.04495	0.1
135.08105	0.1
135.11697	0.5
141.06995	0.2
143.08556	0.2
144.05722	0.3
145.05087	0.4
145.06485	1.3
145.07523	0.1
145.10143	0.1
147.04379	0.1
147.08054	2.1
147.11685	0.2
149.05969	0.3
149.13277	0.2
155.08690	0.1
157.06490	1.5
157.10107	0.1
159.08075	1.0
161.06003	0.2
161.09631	0.3
161.13237	0.2
163.14870	0.2
169.06541	0.2
171.08015	0.9
171.11743	0.2
173.05989	1.4
173.09668	0.3
173.13300	0.1
175.07646	0.1
177.16368	0.1
183.08110	0.2
183.13824	0.1
185.05989	0.2
185.09663	0.3
187.07614	0.4
187.11273	0.2
189.16304	0.1
195.08089	0.2
197.05974	1.5
197.09639	0.2
199.07545	0.5
199.11282	0.2
203.07079	0.3
207.08109	0.1
209.09651	0.3
210.42024	0.1
211.07597	0.1
211.11072	0.2
213.09099	0.5
213.12691	0.2
215.07062	0.5
217.15941	0.2
219.17487	0.2
221.15382	0.2
223.07562	0.3
225.09235	0.1
225.12883	0.1
227.14398	0.2
229.19435	0.1
231.17537	0.2
233.08212	0.1
233.19063	0.2
235.16933	0.1
237.09193	0.1
241.08763	0.1
241.15823	0.1
243.17471	0.2
245.15379	0.2
245.19032	0.4
245.22728	0.1
247.20633	0.1
247.24246	0.2
251.16443	0.1
255.17532	0.1
257.19095	0.3
259.17014	0.3
259.20615	0.2
259.24319	0.1
263.23773	0.1
265.25412	0.5
269.19122	0.1
271.17386	0.1
271.20627	0.3
273.18460	0.1
277.25333	0.2
293.24765	0.1
295.20419	0.1
297.18735	0.2
305.24887	0.2
311.20236	0.2
323.25696	0.1
325.18033	0.2
331.26563	0.1
343.26013	0.1
351.19165	0.1
353.28360	0.9
355.26196	0.2
361.27676	0.2
369.27783	1.0
371.29480	6.9
372.29794	0.2
373.27362	0.7
383.29514	0.1
387.28784	0.4
389.26889	0.3
391.28384	1.3
393.28036	0.2
395.29382	1.1
407.28116	0.3
409.29572	1.7
411.28879	0.2
413.30545	0.2
419.29504	0.2
421.30151	0.1
425.30499	0.3
427.30637	0.6
433.31079	0.2
435.28860	0.1
437.30545	3.9
438.30899	0.1
443.29419	0.1
451.32089	0.8
455.31760	0.2
461.30521	1.2
467.31741	0.1
474.69965	0.1
479.31595	4.0
480.32031	0.2
497.32675	1.9
498.33829	0.1
515.33679	1.4
533.34564	0.4
546.57697	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	1008.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03930	0.8
79.05497	2.6
81.03419	3.1
81.07052	1.9
83.04975	0.4
83.08618	1.0
85.02912	0.8
91.05497	0.7
93.07060	0.9
95.04970	1.6
95.08618	1.7
97.02903	1.5
97.06536	0.3
97.10175	0.6
98.20744	0.4
99.04478	0.5
103.03958	0.2
105.04530	0.9
105.07060	1.0
107.04962	100.0
107.08589	0.7
108.05293	0.9
109.02903	0.8
109.10178	0.6
111.04446	0.8
111.11689	0.3
115.05473	0.2
117.07048	0.4
119.04865	0.2
119.08581	0.5
119.12749	0.2
121.06510	0.4
121.10172	0.6
123.04482	0.3
123.11661	0.2
127.03926	1.4
129.07022	0.4
131.04942	1.4
131.08556	0.4
131.58847	0.2
133.05487	0.3
133.06500	5.7
133.07468	0.3
133.10095	0.2
135.07971	0.2
135.11711	0.5
141.06998	0.4
145.04974	0.3
145.06505	1.5
145.10129	0.3
147.08057	1.8
147.11694	0.3
149.05959	0.2
157.06508	1.8
157.10107	0.2
159.08118	1.0
161.06003	0.3
161.09615	0.4
161.13284	0.2
162.30931	0.1
163.14769	0.2
169.06532	0.2
171.08032	0.8
173.06007	1.5
173.09641	0.3
181.06465	0.2
183.08038	0.4
185.06120	0.2
185.09570	0.3
187.07584	0.4
197.05989	1.7
197.09741	0.2
199.07658	0.4
199.11252	0.3
203.07027	0.3
213.09186	0.3
215.07074	0.8
223.07686	0.2
227.14316	0.2
233.19066	0.3
245.19089	0.3
247.24246	0.2
257.19031	0.3
259.16962	0.3
259.20645	0.2
265.25330	0.6
269.18915	0.2
273.18546	0.2
277.25247	0.4
297.18457	0.2
301.25589	0.2
311.19867	0.2
325.18103	0.2
353.28497	0.8
361.27466	0.2
369.27744	1.4
371.24844	0.3
371.29489	6.9
372.29810	0.3
373.27325	0.7
387.29019	0.4
389.26715	0.2
391.28455	1.3
395.29468	1.0
407.27887	0.3
409.29529	1.3
419.29578	0.3
427.30444	0.3
437.30560	4.4
451.32059	0.6
455.31570	0.3
461.30417	1.3
479.31592	4.0
497.32599	1.8
515.33728	1.4
533.34833	0.3
919.79535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57999	1.5
70.58313	0.6
73.47421	0.6
77.03901	1.2
79.05508	5.2
81.03437	2.9
81.07042	3.4
84.54894	0.5
84.88904	0.6
85.02894	1.1
91.04067	0.6
91.05487	2.1
93.07044	2.5
95.04963	3.2
95.08607	2.3
97.02892	2.0
105.04518	1.7
105.07027	1.0
107.04961	100.0
107.08625	1.2
108.05297	4.6
109.02903	0.9
109.05521	1.0
109.10150	1.0
119.08607	1.3
121.10123	1.7
129.03127	2.0
131.08562	1.2
133.10187	1.0
145.06520	0.7
167.06862	2.1
185.04265	1.6
195.06258	3.1
213.07353	42.6
214.07605	0.7
290.41125	0.7
329.12985	0.6
359.98996	0.6
371.12469	0.6
375.12863	0.9
445.25598	7.1
481.16843	15.1
515.31885	3.6
516.32214	4.2
517.32477	1.2
569.30981	1.0
635.33948	3.6
679.38251	2.4
695.37732	2.3
723.37250	3.1
741.38245	77.1
742.38568	2.0
754.45410	0.7
797.40399	0.8
833.59259	0.7
903.43396	9.1
1009.47693	82.5
1010.47577	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26665	0.6
52.77969	0.6
53.03950	1.0
55.01865	0.7
55.05515	3.8
56.05029	1.0
56.96564	8.1
58.96170	4.3
59.04996	2.0
59.06127	4.0
59.93110	3.9
59.95485	0.8
59.96181	1.3
59.99923	0.7
60.04515	1.0
60.95853	4.4
68.02634	0.7
71.47358	1.1
71.95267	1.8
73.02918	1.2
73.52836	0.7
73.94862	1.1
79.01879	0.8
82.01438	0.8
82.99842	4.8
83.01492	5.5
83.04998	1.3
84.01192	1.3
85.02941	0.7
89.00272	5.4
89.00806	1.0
98.00783	2.5
98.97592	1.0
100.02507	1.3
100.97190	2.5
100.97993	1.8
101.00888	44.2
101.02563	14.6
101.06002	1.4
101.07197	0.7
101.07962	1.1
102.00973	1.2
102.02229	2.4
110.11409	0.6
116.98669	0.7
117.95986	4.0
118.96758	1.8
118.98273	1.2
119.01928	100.0
119.03642	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72489	0.4
51.02385	0.7
51.80719	0.5
52.55725	0.5
53.03947	1.6
55.01873	6.7
55.05241	0.4
55.05513	10.3
56.05036	4.0
56.96566	34.1
57.03437	4.6
57.77056	0.5
58.00586	1.2
58.96161	1.1
58.99860	4.1
59.05005	3.6
59.06118	1.9
59.52191	1.4
59.93123	0.9
59.96166	0.7
59.99953	1.0
60.04527	0.7
60.95851	1.5
60.99603	0.7
61.02929	2.3
63.52454	0.5
65.52193	0.7
66.00520	1.1
68.00275	2.9
68.02641	3.2
68.99800	1.9
69.01060	0.6
69.01919	0.9
69.03425	0.8
70.99854	4.6
71.01351	5.1
71.04988	1.2
71.47656	0.6
71.95267	2.5
72.52959	2.6
72.96034	0.6
73.02914	12.4
73.06564	1.1
73.52854	0.9
74.00266	1.7
75.01045	3.0
75.01917	1.5
77.00872	7.5
78.00991	1.0
78.52963	1.3
79.00721	0.4
79.01862	1.9
82.01434	2.9
82.99850	3.2
83.00789	4.6
83.01517	4.8
83.04978	5.3
83.06091	1.8
84.01173	0.8
84.01622	0.5
84.04498	4.0
84.08151	3.7
84.52962	0.5
84.96010	0.5
85.02899	2.1
85.51937	0.5
86.52694	1.2
89.00287	1.0
89.00857	3.5
92.01290	0.8
94.17795	0.4
95.01327	0.6
95.01936	1.0
98.01325	1.0
98.52708	1.1
98.97591	9.3
100.02486	7.5
100.97179	0.6
101.00886	30.5
101.02453	19.9
101.06075	2.6
101.07152	5.2
101.07961	1.9
102.02229	2.5
102.05531	0.4
102.09185	0.9
103.00629	0.6
103.02448	0.8
109.02909	0.5
109.88522	0.5
110.97594	4.2
113.00864	1.1
113.78455	0.5
115.01211	0.8
115.02492	0.5
116.98631	3.2
117.95989	0.6
118.03533	2.3
119.01922	100.0
119.03633	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01876	3.1
55.05513	9.0
56.05033	1.8
56.51668	0.4
56.96569	29.8
57.03438	4.0
58.00579	0.6
58.96165	1.4
58.99878	2.4
59.05008	1.5
59.06109	0.6
59.52181	0.9
59.96172	0.7
59.99950	1.4
60.00538	0.7
60.01406	0.6
60.33475	0.4
60.95851	1.2
60.99610	0.4
61.02924	1.9
62.94336	0.4
63.93698	0.4
64.99757	0.5
65.52187	0.6
66.00522	1.3
66.01379	0.5
68.00268	2.3
68.02641	1.7
69.01920	0.5
69.03428	0.5
70.98109	1.0
70.99867	5.8
71.01355	1.3
71.04992	2.5
71.35858	0.9
71.52200	0.5
71.95281	2.9
72.52988	1.1
72.96033	0.7
73.02921	5.2
73.06563	0.5
73.52838	0.6
74.00253	3.2
75.01047	2.4
77.00814	3.7
78.01550	0.5
78.52968	1.2
79.01859	1.4
81.06438	0.4
82.01464	3.4
82.99844	5.5
83.00790	3.9
83.01516	5.7
83.04977	5.6
83.06142	0.5
84.01161	0.6
84.01599	0.9
84.04518	1.5
84.08141	1.9
84.96017	0.7
85.02902	1.8
86.52704	0.8
87.01918	1.0
89.00271	0.9
89.00846	3.1
92.01315	0.5
96.02090	0.7
98.01316	0.9
98.20869	0.5
98.52695	1.0
98.97588	11.1
100.02500	3.7
100.97183	0.7
101.00887	52.1
101.02534	9.9
101.06047	2.1
101.07141	2.1
101.07896	0.7
102.00993	0.8
102.02234	3.1
102.12814	0.7
110.97577	5.0
113.00857	1.2
116.98625	2.1
118.03519	1.1
119.01926	100.0
119.03608	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	1010.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13190	0.3
71.04979	0.1
71.08629	1.0
77.03931	0.5
79.05493	1.8
81.03418	1.8
81.03878	0.2
81.07061	0.9
83.08636	0.5
85.02907	1.1
85.10196	0.7
91.05498	0.1
95.04979	1.9
95.08615	1.2
97.02893	2.6
97.03521	0.1
97.10179	0.5
98.21581	0.1
99.04475	0.3
105.04521	0.9
105.07002	0.1
107.04958	100.0
108.05280	0.9
109.02882	1.2
109.10153	0.7
111.04459	0.1
111.11720	0.3
117.44012	0.1
119.04978	0.1
121.02882	0.1
123.04427	0.2
123.11713	0.4
127.02989	0.1
127.03920	2.0
133.06453	0.1
145.04968	1.6
147.04433	0.1
159.08069	0.2
161.05991	0.2
169.06476	0.1
174.54568	0.1
187.07571	0.2
197.05997	0.1
203.07077	0.3
213.09132	0.3
215.07016	0.8
233.08080	0.4
249.25880	0.1
251.09155	0.3
265.25745	0.1
267.26837	1.9
283.26382	0.1
285.27875	0.3
285.47946	0.1
353.36493	0.1
360.56531	0.1
393.30087	0.2
411.31039	1.9
412.31256	0.1
429.32150	4.9
430.32639	0.2
471.13330	0.1
517.34949	0.2
691.34265	0.1
769.75500	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	1020.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05013	0.5
77.03949	0.7
79.05496	6.5
81.03426	3.6
81.07059	4.1
83.04985	0.8
83.08626	0.7
85.02893	1.3
85.06546	0.3
86.09697	0.5
91.05481	5.2
93.07047	5.2
95.04979	3.2
95.08604	3.2
97.02886	1.9
97.03431	0.3
97.06511	0.5
97.10146	0.3
98.21536	0.7
99.04463	0.5
103.03938	0.8
103.05486	0.6
105.04536	1.4
105.07030	4.8
107.04961	100.0
107.08589	2.7
108.05285	0.8
109.02885	0.8
109.06559	0.4
109.10147	1.7
111.04465	0.9
111.08080	0.3
115.05475	0.9
117.07030	2.7
119.04955	0.4
119.08607	3.1
121.06509	1.3
121.10155	3.1
123.04422	0.6
125.02334	0.3
127.03915	1.2
127.48293	0.3
128.06236	1.1
129.05498	0.3
129.06995	2.2
131.04938	1.7
131.08566	2.9
132.05768	0.4
133.06491	4.4
133.10146	2.5
135.08072	0.9
135.11714	0.8
137.05997	0.6
141.07007	0.9
142.07729	0.6
143.08556	1.9
144.05730	0.7
145.06499	4.2
145.10139	2.9
147.08044	1.3
147.11673	1.6
149.05988	0.6
149.09645	0.6
149.13283	0.5
153.07016	0.6
154.07832	0.3
155.08548	1.2
157.06503	4.8
157.10144	1.5
159.08073	2.2
159.11722	2.2
161.09624	5.1
161.13287	0.7
165.06982	0.9
167.08531	1.3
168.06047	0.3
169.06520	1.1
169.10156	1.1
171.08046	2.8
171.11714	1.1
173.05960	1.3
173.09631	1.8
173.13321	1.0
175.11169	1.5
177.12802	0.3
178.07838	0.4
179.08546	0.9
181.06503	1.1
181.10164	0.7
182.07329	0.4
183.08054	3.3
183.11707	1.1
184.08788	0.3
185.09605	3.1
185.13329	0.7
187.07458	0.5
187.11244	0.9
187.14899	0.4
191.08554	0.4
193.10161	0.4
194.07243	0.3
195.08066	2.2
195.11771	0.4
196.08923	0.4
197.05972	0.5
197.09584	2.8
197.13350	0.6
199.07750	0.3
199.11214	1.4
199.14905	0.3
201.12814	0.8
207.08113	1.3
209.09618	1.6
211.11186	2.8
211.14603	0.3
213.09138	0.6
213.12755	1.3
213.16782	0.3
215.14272	0.5
219.08134	0.3
219.13756	0.3
220.08896	0.3
221.07643	0.3
221.09679	0.9
223.07683	0.3
223.11235	1.1
225.12720	1.2
227.10896	0.4
227.14331	1.4
233.09755	0.4
235.11172	1.0
237.12813	1.1
239.14352	1.0
241.15938	0.7
247.11154	0.4
249.12665	0.6
251.14421	0.6
253.15962	0.7
257.19095	0.5
259.20657	0.7
267.14151	0.3
269.15494	0.4
271.17050	0.5
271.20679	0.6
275.20145	0.5
277.21643	0.4
293.15305	0.5
295.17206	0.3
299.16641	0.3
299.20142	0.3
301.21622	0.5
321.18655	0.3
323.20132	0.4
325.18045	0.4
347.23859	0.3
349.21594	0.3
361.21078	0.3
363.23187	1.4
365.24774	4.2
367.22644	0.9
377.24921	0.6
381.24362	0.4
385.23706	1.6
387.23279	0.4
389.24826	1.9
393.24069	0.4
401.24338	0.4
403.24908	1.6
407.25833	0.8
409.19907	0.3
419.24789	0.5
421.25815	1.5
431.25763	0.9
455.25656	0.4
471.29019	0.7
473.26855	2.4
491.27896	3.5
492.28433	0.3
509.28970	4.6
525.28766	0.6
527.30072	4.5
537.30212	0.3
597.32172	0.6
615.33228	0.6
633.34137	0.8
704.05255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.7
53.03949	23.6
55.01872	1.2
57.03442	1.0
57.79091	0.5
60.08157	1.2
69.80782	1.0
69.81174	1.8
71.03123	0.5
77.03928	5.2
81.03413	2.6
84.19046	0.5
85.02917	1.6
95.04969	20.1
102.04691	3.8
103.05472	100.0
104.05827	1.1
104.10761	4.3
105.04521	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.7
51.02386	3.8
51.42935	0.7
53.03949	29.1
55.01871	1.6
56.54069	0.9
70.87148	1.3
75.01521	0.7
77.03930	8.8
81.03416	2.6
83.89304	0.6
95.04970	25.2
102.04704	4.9
103.05471	100.0
105.04517	16.7
114.29197	0.7
118.06570	1.3
119.36947	0.6
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
50.01593	0.9
51.02383	3.9
53.03951	34.0
53.97726	0.9
55.01872	1.6
69.77376	4.1
69.97581	0.7
77.03932	10.1
81.03418	2.5
95.04973	25.3
102.04697	6.1
103.05476	100.0
105.04510	15.4
119.46572	0.7
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
50.01591	1.0
51.02387	3.5
53.03951	30.8
56.89275	0.7
69.31149	4.7
69.31560	1.0
71.44073	0.7
77.03938	10.2
81.03407	2.1
95.04975	24.6
102.04713	4.7
103.05476	100.0
104.05814	1.3
105.04523	15.9
112.56943	0.6
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
50.01597	1.3
51.02385	4.3
53.03949	31.5
55.01862	1.7
60.08166	0.8
60.95834	2.1
65.18385	0.7
70.51327	1.6
70.51695	1.7
77.03934	9.2
78.42932	0.7
81.03416	2.9
85.02890	0.7
95.04379	1.4
95.04974	26.3
95.05582	1.4
98.20604	0.7
102.04700	4.8
102.96888	2.0
103.05471	100.0
104.10767	1.5
105.04519	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.1
53.03947	31.7
53.75590	0.8
55.01855	0.8
70.67498	1.7
77.03931	9.6
81.03412	3.4
88.46950	0.8
95.04969	27.7
102.04699	5.6
103.05471	100.0
105.03853	1.3
105.04518	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	3.6
53.03950	31.1
55.01841	1.1
68.70186	0.7
70.12833	2.3
70.84869	0.8
77.03932	11.1
78.33637	0.7
81.03410	2.2
90.35830	0.6
95.04973	25.6
102.04694	5.8
103.05471	100.0
104.05815	1.0
105.04520	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.0
51.02378	4.2
52.21671	0.4
53.03951	34.0
55.01862	1.4
69.14697	4.7
77.03934	9.3
81.03426	2.9
95.04974	28.6
102.04683	5.1
103.05473	100.0
104.05819	0.5
105.04520	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.3
51.28111	0.6
52.24498	0.5
53.03948	31.9
55.01875	1.2
56.96568	2.8
58.06590	0.6
60.08165	0.7
60.94413	0.6
70.57946	0.7
70.58278	1.4
77.03925	6.2
79.01848	0.9
81.03410	2.6
95.04969	31.4
102.04681	5.2
103.05470	100.0
104.05830	0.8
104.10741	1.4
105.04516	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
73.35967	0.1
75.34445	0.1
77.03912	1.1
77.04276	0.1
78.04706	0.1
79.05492	1.9
81.03411	1.3
83.01311	0.1
85.02910	1.2
85.06557	0.1
85.63106	0.1
91.05461	0.1
95.04965	2.7
97.02892	0.9
98.21484	0.2
99.04443	0.2
102.04661	0.3
103.05466	20.4
104.05814	0.3
105.03393	0.2
105.04517	1.5
107.04954	100.0
108.05286	1.0
109.02879	0.5
115.05481	0.2
118.06490	0.1
118.51822	0.1
127.03916	1.3
127.04802	0.1
130.12029	0.1
131.04927	93.9
132.05269	1.5
145.04935	0.4
145.08519	0.1
149.05981	7.2
150.06264	0.2
159.92155	0.1
161.05991	0.1
177.05496	0.1
191.07031	0.1
209.09601	2.2
213.09113	1.1
233.08125	0.2
233.17220	0.1
237.09021	0.7
255.10164	0.3
257.08130	0.4
271.08185	0.1
275.09161	1.3
293.10190	30.2
294.10635	0.9
381.13055	0.1
399.14346	1.1
437.14426	0.1
455.15457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	0.5
79.05495	1.2
81.03421	0.4
85.02898	0.5
85.06535	0.2
95.04967	1.1
97.02887	1.1
99.04473	0.1
103.05471	3.1
105.04517	0.6
105.48717	0.1
107.04956	100.0
108.05278	0.9
109.02901	0.1
123.04424	0.1
127.03889	0.3
131.04932	19.4
132.05278	0.2
137.06035	0.1
145.04987	0.3
145.08583	0.2
149.05986	1.1
161.97833	0.1
163.06039	0.1
191.09167	0.2
209.09627	0.2
213.09114	2.6
237.09149	0.1
267.08701	0.1
269.10263	0.1
275.09186	0.3
293.10196	9.4
294.10559	0.2
297.13373	0.3
360.36047	0.1
399.14084	0.1
455.15613	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	1036.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
72.85879	0.0
77.03924	0.5
78.04723	0.1
79.05498	1.4
81.03425	0.3
85.02899	0.4
85.06558	0.2
91.05444	0.1
91.63000	0.0
95.04972	1.5
97.02902	0.6
103.05473	3.9
105.04523	1.0
107.04956	100.0
108.05280	1.1
109.02905	0.1
119.04949	0.1
123.04444	0.1
127.03933	0.1
131.04930	16.2
132.05280	0.2
145.04990	0.2
145.08606	0.3
149.05969	0.4
161.82967	0.0
163.06007	0.1
191.09149	0.1
209.09612	0.1
213.09111	2.2
267.08615	0.1
269.10104	0.1
275.09183	0.1
293.10205	4.1
294.10486	0.1
297.13278	0.3
325.11176	0.1
341.32974	0.0
356.72275	0.0
392.30801	0.0
399.14029	0.1
455.15445	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	1036.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83563	0.1
75.75804	0.1
77.03905	0.7
78.31208	0.1
78.44884	0.1
78.55381	0.2
79.05502	1.0
80.18784	0.2
80.52023	0.1
81.03423	0.4
85.02936	0.6
85.06569	0.2
89.35599	0.1
95.04982	1.8
97.02879	1.0
98.20812	0.1
102.04675	0.1
103.05473	13.2
105.04514	1.0
107.04961	100.0
108.05283	1.3
127.03960	0.3
131.04936	56.3
132.05272	0.9
145.04951	0.3
145.08563	0.2
147.82297	0.1
149.05978	1.0
167.07047	0.2
191.09123	0.2
213.09100	1.4
269.73941	0.1
293.10211	12.2
294.10553	0.3
297.13455	0.2
347.30356	0.1
376.45840	0.2
449.51172	0.1
662.97705	0.2
752.31659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
76.44278	0.1
77.03908	0.6
78.46271	0.1
79.05490	1.3
81.03416	0.8
85.02901	2.2
85.06518	0.3
91.05469	0.1
95.04957	1.7
97.02887	4.9
99.04452	0.4
99.44646	0.1
102.04671	0.1
103.05463	10.3
104.05775	0.1
105.04514	0.8
107.04950	100.0
108.05286	0.9
108.16914	0.1
109.02882	0.5
119.04930	0.1
123.76463	0.1
127.03920	0.8
131.04922	57.4
132.05240	0.8
137.06004	0.1
144.21141	0.1
145.04956	1.8
145.08604	0.3
149.05974	4.9
163.06021	0.1
191.09094	0.1
209.09735	0.1
213.09079	1.6
275.09219	0.4
293.10184	22.3
294.10483	0.4
297.13333	0.3
311.11237	0.1
322.18787	0.1
325.11191	0.1
364.04593	0.1
401.58517	0.1
455.15320	0.5
499.07263	0.1
659.65680	0.1
793.89600	0.1
992.33038	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	6.0
59.07385	1.7
60.08165	54.6
63.53627	0.2
69.03440	0.2
69.61411	1.3
82.10978	0.2
85.84402	0.2
87.04465	0.5
104.10744	100.0
105.11070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14421	0.3
58.06596	6.4
59.07383	1.8
60.08166	60.0
62.92997	2.7
69.04507	0.3
69.43783	2.4
73.58076	0.3
76.84592	0.3
87.04452	0.5
103.05479	0.4
104.04989	0.4
104.10747	100.0
105.04520	0.5
105.11057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	7.0
59.07380	1.7
60.08163	58.8
61.58255	0.3
62.92985	1.8
69.78783	1.5
69.79195	0.5
78.04694	0.6
103.05471	0.4
104.10743	100.0
105.11081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03921	0.5
79.05487	2.4
81.03405	0.8
85.02895	0.8
85.51202	0.3
95.04969	2.3
97.02885	1.6
98.20743	0.8
103.05470	1.4
105.04521	1.5
107.04957	100.0
108.05288	7.3
109.05569	1.1
127.03918	0.3
129.03123	3.6
131.04938	5.5
132.05273	1.4
142.16687	0.3
149.05951	0.5
167.03099	0.4
167.06808	3.9
185.04208	6.6
195.06291	8.5
213.07343	38.3
229.38725	0.4
273.07462	1.1
293.10269	0.7
294.10403	0.4
309.09473	0.6
313.12399	0.4
315.08383	8.4
333.09448	23.8
334.09735	0.4
338.13147	0.3
357.11758	0.7
375.12750	0.9
419.16989	2.1
435.16330	2.3
439.14200	0.5
457.16275	0.4
463.15610	2.4
477.13873	0.4
481.16797	8.3
495.15353	0.6
505.16776	10.6
583.17993	1.0
601.19269	0.8
667.22217	1.6
773.26239	38.8
774.26276	1.6
879.31512	0.5
935.31311	4.1
1000.71173	0.3
1041.35779	93.2
1042.35925	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	1046.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	42.0
79.17766	6.1
81.07066	58.1
83.08620	9.9
89.62234	6.1
91.05479	21.0
93.07050	42.5
95.08612	51.8
98.20619	9.5
105.07026	15.5
107.08601	31.6
109.10162	24.7
119.08591	15.4
121.10153	34.5
123.11725	15.9
131.08569	12.0
133.10175	11.9
135.11685	28.7
145.10112	13.2
147.11702	8.1
149.13268	11.9
159.11719	11.1
161.13252	13.2
163.14822	15.9
173.13289	8.2
181.12567	6.8
181.34683	6.5
187.14789	7.1
209.16002	7.8
243.21162	31.1
261.22232	100.0
335.25854	39.6
353.26910	83.0
1005.72223	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03950	14.8
55.01870	0.8
55.29945	0.8
58.11690	0.8
64.87024	0.7
65.03928	1.4
71.47872	1.0
71.48271	1.0
77.03933	4.9
79.05498	49.9
81.03419	1.3
87.00816	1.5
95.04971	13.9
96.62804	0.7
103.05473	27.7
104.05747	0.7
105.04538	6.3
105.07037	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03952	13.5
54.04262	0.7
55.10567	0.8
65.03934	1.2
69.87504	2.6
69.87922	1.6
76.93130	0.7
77.03923	6.2
79.05495	54.6
80.10489	0.7
81.03410	1.2
87.00829	2.2
95.04972	13.6
103.05470	34.7
105.04544	6.6
105.07034	100.0
122.65244	0.7
123.99149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01640	0.7
51.02383	2.4
52.58507	0.6
53.03949	15.1
54.44831	0.7
55.01867	0.7
58.34605	0.7
61.63811	0.7
66.05191	0.7
69.21487	7.5
77.03934	5.9
79.05499	52.0
81.03442	1.2
83.40784	0.7
87.00829	2.0
95.04975	13.0
103.05478	33.1
105.04533	7.2
105.07040	100.0
105.11128	1.1
106.07346	1.0
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	Unknow
Peak:m/z	Relative Intensity
50.01640	0.7
51.02383	2.4
52.58507	0.6
53.03949	15.1
54.44831	0.7
55.01867	0.7
58.34605	0.7
61.63811	0.7
66.05191	0.7
69.21487	7.5
77.03934	5.9
79.05499	52.0
81.03442	1.2
83.40784	0.7
87.00829	2.0
95.04975	13.0
103.05478	33.1
105.04533	7.2
105.07040	100.0
105.11128	1.1
106.07346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
97.02923	0.2
99.97292	0.2
149.02740	0.2
185.04269	0.4
203.05243	0.8
259.07999	0.4
409.80609	0.2
464.61877	0.2
534.79620	0.3
535.29877	0.6
535.79865	0.6
536.29584	0.6
536.79590	0.5
537.30389	100.0
538.30701	3.3
717.91254	0.2
743.00946	0.2
810.55725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	0.7
79.05498	1.8
81.03421	1.2
83.36446	0.1
84.79901	0.1
85.02908	0.8
86.06062	0.3
88.52336	0.1
91.05480	7.6
95.04973	2.1
97.02889	0.7
99.04450	0.2
103.05481	0.3
105.03397	1.6
105.04503	1.0
105.07060	0.2
107.04957	89.6
108.05288	1.0
109.02838	0.6
119.04943	15.4
121.02876	1.7
121.06509	0.2
123.04495	0.1
127.03922	0.7
131.04910	1.0
133.06461	0.3
137.05890	0.1
145.04930	0.2
145.06499	0.1
147.04411	100.0
148.04744	1.4
149.05956	0.1
152.82210	0.2
159.04417	2.2
165.05472	3.8
166.05995	0.1
167.07170	0.2
177.05487	0.9
197.09554	0.2
198.11342	1.0
213.09138	0.8
225.09119	0.7
227.06882	0.1
253.08597	3.9
265.08649	0.2
273.07452	0.2
277.08667	0.3
291.08658	1.4
295.09500	0.2
309.09683	16.7
310.09973	0.4
321.09711	0.2
327.10538	0.2
360.16513	0.5
397.12961	0.3
415.08893	0.2
415.13913	2.0
417.01923	0.1
453.14047	0.6
458.23459	0.3
466.20715	0.3
471.14902	1.3
522.20441	0.2
620.29242	0.2
966.69263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02377	0.9
53.03951	11.0
55.01880	2.2
60.34052	0.2
61.05539	0.2
64.22916	0.2
67.37603	0.2
70.87681	0.5
71.05663	0.2
77.03932	4.1
79.05496	11.9
79.91549	0.2
81.03427	1.5
87.99042	0.2
91.05478	0.3
94.05665	0.2
95.04974	9.8
95.05579	0.5
97.95463	0.2
105.04520	5.4
107.04958	100.0
108.05300	0.7
111.35165	0.2
115.39707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01599	0.3
51.02375	1.4
53.03951	10.7
55.00319	0.3
55.01877	1.9
56.07304	0.3
64.22663	0.3
67.69885	0.3
77.03931	3.8
79.05499	10.7
81.03423	1.3
95.04975	9.1
98.21554	0.7
105.04521	5.4
106.64510	0.4
107.04960	100.0
108.05293	1.5
114.97672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.3
51.02375	1.2
53.03946	11.1
55.01867	1.9
57.38888	0.2
65.75362	0.2
68.24851	0.2
70.94263	0.2
77.03926	4.0
79.05490	12.3
81.03418	1.0
91.93011	0.2
95.04964	9.1
95.05578	0.5
96.05299	0.3
98.20800	0.4
102.71658	0.2
105.04511	5.5
107.04951	100.0
108.05269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	0.3
51.02377	1.7
53.03951	11.3
55.01872	2.0
69.04446	0.2
69.15176	2.8
76.83435	0.2
77.03939	3.3
79.05498	11.8
81.03435	1.5
91.05488	0.5
95.04974	9.1
98.21586	0.3
98.65717	0.2
101.03452	0.2
105.04524	5.3
107.04961	100.0
108.05311	1.1
108.06705	0.2
118.46903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01596	0.3
51.02382	1.1
53.03948	10.7
53.09239	0.2
55.01870	1.9
62.03792	0.2
63.46806	0.2
70.04098	0.8
71.64423	0.2
76.22942	0.2
77.03533	0.3
77.03930	4.0
79.01853	0.2
79.05495	12.0
81.03412	1.4
95.04970	9.2
96.55795	0.2
98.21429	0.4
105.04517	5.3
107.04956	100.0
108.05286	1.0
115.87381	0.2
117.28595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
51.02384	1.0
53.03949	9.5
53.71893	0.2
55.01871	1.8
60.78215	0.2
69.41691	1.4
73.98834	0.2
77.03928	4.5
79.01846	0.2
79.05492	11.7
81.03416	1.3
91.05472	0.4
95.04965	9.3
98.20770	0.4
105.04520	5.1
105.07045	0.2
106.04104	0.2
107.04955	100.0
108.05293	0.9
118.06560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03949	10.5
55.01875	1.7
55.81909	0.2
68.72392	0.2
71.33088	0.2
77.03931	3.6
79.05497	11.5
81.03434	1.6
95.04974	8.7
105.04515	4.8
107.04959	100.0
108.05299	0.8
112.29760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	0.6
50.79722	0.2
51.02376	1.1
53.03949	10.1
55.01874	1.9
56.49064	0.2
69.36438	1.5
69.36839	0.4
77.03931	4.0
79.01865	0.3
79.05496	11.7
81.03408	1.3
90.92793	0.2
94.55812	0.2
95.04972	9.6
105.04523	5.2
106.93696	0.2
107.04958	100.0
108.05292	1.2
115.64835	0.2
118.35443	0.2
122.12462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02372	1.3
51.68320	0.2
53.03949	10.0
55.01869	2.0
62.57087	0.2
64.70480	0.3
70.02906	0.5
77.03931	3.5
77.79685	0.2
79.05495	10.5
81.03421	1.5
81.40983	0.3
91.05457	0.4
91.12132	0.2
93.71845	0.2
95.04968	8.5
105.04514	5.5
107.04956	100.0
108.05295	0.7
120.21439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02380	1.4
53.03949	10.6
55.01874	2.3
59.83747	0.2
60.16262	0.2
65.03908	0.2
66.69874	0.3
67.45292	0.3
71.18546	0.4
77.03929	3.7
78.04729	0.2
79.05492	12.1
81.03417	1.0
84.09852	0.2
87.94712	0.2
91.05488	0.7
95.04969	8.4
100.65914	0.2
105.04517	5.3
105.07008	0.2
107.04956	100.0
108.05299	1.0
114.76700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.4
51.02372	1.4
53.03949	10.5
55.01874	1.9
69.64391	1.1
69.64801	0.3
73.86052	0.2
77.03933	3.5
79.05496	11.2
81.03416	1.2
85.46020	0.2
90.50044	0.2
91.05463	0.2
95.04972	9.5
95.05577	0.5
105.04519	5.7
105.05240	0.3
107.04958	100.0
108.05295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02376	1.3
51.54948	0.2
53.03949	11.1
55.01872	2.3
62.50570	0.2
65.96697	0.2
69.91363	0.7
77.03925	3.6
79.01933	0.2
79.05495	11.5
81.03427	1.6
91.05473	0.3
95.04972	9.5
105.04512	4.9
107.04956	100.0
108.05288	1.0
118.06561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.4
51.02378	1.4
53.03951	10.9
55.01666	0.2
55.01877	2.5
57.95925	0.3
62.63351	0.3
66.08148	0.2
69.32764	0.5
69.33167	1.6
77.03936	3.8
79.05495	11.2
81.03421	1.9
91.05499	0.5
95.04971	9.1
105.04528	5.5
107.04961	100.0
108.05300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.5
50.26183	0.2
51.02391	1.4
53.03951	10.4
53.90801	0.1
54.04303	0.1
55.01878	2.2
58.61570	0.1
69.62588	0.2
69.89162	0.7
74.32224	0.2
74.70746	0.2
77.03935	4.4
79.05498	12.4
81.03427	1.3
89.03887	0.2
95.04972	9.5
96.05271	0.2
98.20767	0.3
105.04524	5.1
107.04961	100.0
108.05308	1.2
118.06539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03952	10.1
55.01881	1.9
58.29438	0.2
70.13286	0.3
70.13620	0.8
77.03935	3.5
79.05499	12.5
80.39720	0.2
81.03430	1.3
95.04971	8.6
103.71478	0.2
105.04520	5.4
107.04960	100.0
108.05313	0.8
118.06549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02378	1.4
53.03950	12.1
55.01877	2.3
70.73584	0.3
70.73907	0.3
77.03934	4.1
79.05499	12.9
81.03425	1.6
86.28167	0.2
93.50831	0.2
95.04974	8.6
105.04518	5.9
107.04960	100.0
108.05283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	0.7
51.02379	1.4
53.03948	11.9
55.01874	3.1
56.11480	0.2
61.58205	0.2
62.31564	0.3
64.49637	0.2
69.24952	0.5
69.25352	1.7
74.92655	0.2
77.03932	4.3
78.04675	0.2
79.01871	0.2
79.05494	12.2
81.03428	1.3
95.04379	0.5
95.04973	9.5
98.20670	0.4
105.04515	5.4
107.04956	100.0
108.05256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.9
79.05495	3.3
81.03410	0.9
81.07050	0.4
83.04971	0.4
85.02902	1.2
85.06554	0.2
91.05486	1.7
93.07038	0.9
95.04972	3.2
95.08595	0.3
97.02895	0.6
97.06534	0.6
99.04449	1.2
103.05473	0.3
105.04538	1.0
105.06311	0.2
105.07034	7.8
107.04958	100.0
107.08569	0.8
107.21053	0.1
108.05274	1.1
108.14994	0.1
109.02872	0.4
109.06530	0.4
111.04449	0.2
111.08081	0.2
113.05997	0.2
115.05415	0.3
117.07026	1.1
119.04945	0.3
119.08553	0.7
121.06517	1.8
123.04447	0.2
123.08070	0.2
125.06022	0.7
127.03941	0.8
128.06233	0.4
129.07025	0.5
130.07768	0.7
131.04936	0.3
131.08569	1.8
133.06496	2.5
133.10155	1.3
135.08055	0.2
137.06024	0.4
141.07011	0.4
143.07042	0.3
143.08568	1.0
144.09380	0.6
145.04987	0.4
145.06480	1.4
145.10127	13.0
147.04404	0.3
147.08064	0.4
147.11656	0.3
149.05991	0.4
149.09641	0.2
151.07553	0.3
153.06834	0.2
154.07748	0.4
155.08582	0.6
157.06535	0.3
157.10091	0.7
158.07280	1.5
159.04393	0.2
159.08060	1.5
159.11694	5.2
161.09613	1.1
163.06104	0.2
163.07469	0.2
163.11169	0.3
165.07027	0.2
167.08701	0.1
169.10161	1.3
171.08067	0.5
171.11717	0.4
172.08864	0.6
173.09630	9.7
174.09940	0.2
179.08621	0.5
181.06537	0.2
182.07320	0.1
183.08095	0.6
185.09633	0.9
187.07635	0.3
187.11188	5.9
189.09126	0.2
189.12793	0.6
191.10683	0.8
193.10139	0.2
193.12300	0.2
195.08078	0.2
196.08861	0.3
197.09616	2.6
199.07645	0.2
199.11198	0.4
205.08650	0.7
205.12242	10.4
206.12636	0.2
209.09550	0.2
211.11224	0.6
213.03952	0.5
213.09111	1.1
215.10678	15.3
216.11090	0.3
223.87094	0.1
225.09239	0.4
227.10654	0.2
229.08650	0.3
231.05040	0.3
231.10262	0.3
233.11728	17.6
234.12271	0.3
239.10715	0.5
243.10260	0.2
245.11856	0.5
251.12590	1.2
257.11749	0.2
257.90399	0.2
265.15887	0.2
275.14407	0.2
279.13757	0.5
293.15475	1.0
295.17151	0.2
297.14890	0.2
303.13916	0.3
309.13327	1.2
311.12885	0.2
311.16379	2.3
319.11765	2.4
321.14877	2.0
325.11365	0.2
337.12842	5.5
339.15924	3.9
355.13898	10.7
356.14352	0.3
357.16971	3.8
377.16013	0.3
415.17520	0.4
417.15387	0.2
443.17191	0.9
445.14963	0.3
461.17987	0.4
463.16068	0.7
481.17096	4.6
482.17581	0.2
487.16830	0.2
499.18115	0.6
587.20911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.409
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03937	0.6
79.05499	2.4
81.03402	1.7
81.07034	0.6
85.02912	4.3
87.04485	0.6
90.99778	0.4
91.05465	0.8
93.05780	1.2
94.06554	1.4
95.04958	1.9
97.02866	2.6
105.04511	1.0
105.07025	0.7
106.06535	0.5
107.04954	64.8
108.05315	1.4
108.08113	8.7
109.02868	1.1
118.06551	0.8
119.04936	0.5
119.08582	0.5
120.08104	1.0
122.06023	1.8
122.09620	0.4
127.03926	0.9
131.04924	1.1
131.07437	0.4
131.08589	0.4
134.06026	1.0
135.06775	0.5
136.07576	13.0
136.08572	0.9
137.05957	1.1
138.09138	0.5
139.62057	0.5
148.07584	0.7
158.09680	0.6
159.08138	0.5
161.05890	0.5
164.07040	2.3
166.08662	0.7
174.09175	0.7
204.06586	0.5
221.10799	0.5
223.08827	0.5
223.12279	0.8
224.13283	0.6
227.08185	1.0
235.08803	0.5
235.12355	0.8
237.10211	2.0
238.10910	0.8
239.08195	0.7
239.11757	0.6
243.11475	0.9
247.08757	0.6
248.09433	0.7
249.10249	3.7
250.10982	2.1
251.07990	0.6
251.11774	4.8
251.14098	0.5
252.12532	0.7
253.13434	0.6
255.11391	0.6
261.10172	1.1
262.11017	2.4
263.08893	0.8
263.11713	6.4
263.14114	0.6
264.09012	0.8
264.12601	1.0
265.09766	4.3
265.12927	1.0
266.10434	0.7
267.11334	1.5
275.11752	1.0
277.09726	4.6
278.10535	2.1
279.11285	6.8
280.12094	1.7
281.13034	0.9
283.10843	1.3
285.12396	0.6
287.11694	0.6
289.09726	1.4
290.10562	1.3
291.11237	10.3
292.12091	2.3
293.09619	0.9
293.12790	5.1
295.10657	2.4
299.14340	0.8
305.12723	0.9
307.10855	2.0
308.11566	0.6
309.12466	1.8
311.14114	0.9
312.15048	0.9
317.09192	0.6
319.10825	2.6
324.11072	3.0
324.14777	0.7
325.11856	3.8
325.15466	0.5
326.13068	0.6
326.16620	0.6
327.14017	0.8
328.14517	1.3
335.10306	0.7
336.11307	1.4
337.11798	5.4
338.12964	1.6
339.13797	1.7
340.14410	6.0
341.15253	1.6
342.16080	1.2
344.17688	0.5
350.13095	0.5
351.13910	0.8
352.14493	1.6
353.11707	1.2
353.15378	1.2
354.12210	2.2
354.16257	2.5
355.13361	1.7
355.17136	0.8
356.14072	2.5
356.17517	2.3
366.12531	1.4
366.16394	0.8
367.13123	2.5
368.13834	7.6
368.17682	0.9
369.14682	3.7
370.15503	4.1
371.16394	0.8
372.17145	1.3
379.13751	0.8
380.13898	4.0
381.14893	3.0
382.11475	0.5
382.15564	6.0
383.16727	3.3
384.13077	0.8
384.17212	3.9
385.17776	1.3
386.15237	0.6
386.18887	3.0
394.15714	1.1
395.16608	0.9
396.12485	2.8
396.17953	3.7
397.14377	1.5
398.14154	2.4
398.18863	2.0
400.16663	3.6
402.18701	0.6
408.13593	1.2
409.14316	0.8
410.14951	3.7
411.15842	1.9
412.16623	6.1
413.17874	2.1
414.13562	0.8
414.18787	3.3
415.19077	1.4
416.20056	2.9
418.17343	0.7
424.16940	2.5
425.17557	0.9
426.18707	3.5
428.15939	6.1
430.17746	1.5
438.14529	1.2
440.16098	1.1
441.16913	0.8
442.13428	2.0
442.17764	4.7
443.18369	1.9
444.19220	9.6
446.17346	2.5
452.16290	1.8
454.13852	1.1
455.14877	0.7
456.15756	1.4
458.17096	1.4
459.18033	1.8
460.18726	7.8
468.15775	1.4
469.16034	1.0
470.17056	16.1
471.17612	1.3
472.18619	1.8
474.00580	0.6
486.16870	2.0
487.17413	6.8
488.18167	41.2
489.18356	2.6
564.21503	0.6
577.22858	0.6
591.22137	0.9
593.23730	1.9
594.22754	0.5
604.22473	2.5
605.23846	1.4
606.24817	0.5
609.23474	16.9
610.24091	1.3
631.21735	1.2
632.22406	7.8
648.21906	2.3
649.22717	12.7
650.23431	100.0
651.23706	7.4
680.24542	0.8
681.27020	0.6
727.29462	3.1
728.28357	0.7
739.26971	0.6
742.29535	1.8
743.29419	0.5
753.27795	4.3
754.27728	0.7
755.26880	2.2
756.26801	0.8
771.28723	28.2
772.28534	2.6
786.28564	0.7
803.32007	0.6
810.27325	0.8
812.29077	1.2
877.32495	0.8
890.32574	0.7
904.35016	3.9
905.34778	0.6
916.30859	1.9
917.32306	3.6
918.32898	1.5
933.33246	0.7
948.34180	1.3
949.33374	0.8
1039.38086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
77.08505	0.6
79.05450	1.1
80.04956	0.8
81.03360	1.0
81.06991	0.5
82.06504	0.8
84.04435	0.7
85.02891	2.9
86.09634	0.8
91.05409	1.6
93.05750	1.0
93.06962	1.6
94.06575	3.8
95.04874	0.6
95.07323	1.1
96.08129	5.4
97.02802	1.6
97.06429	0.8
98.21494	1.0
103.05408	0.7
106.06476	1.9
107.04951	7.1
107.07262	1.2
108.08115	10.4
110.05957	0.6
110.09674	8.0
111.09910	0.5
116.04910	1.3
116.05630	0.5
118.06768	3.8
119.07162	1.1
120.04421	1.3
120.06371	1.7
120.08108	6.7
122.06033	8.1
122.09661	2.5
124.07588	3.9
125.77181	0.5
127.03869	1.1
130.06436	0.7
132.04553	0.6
132.08061	0.8
134.05911	2.2
134.06888	0.6
134.09564	0.6
136.07584	17.8
136.08566	0.6
137.05911	1.0
138.09134	15.9
144.04431	3.0
144.08023	0.6
146.06013	6.2
148.07567	11.3
150.05432	0.9
150.09146	7.6
152.05902	0.7
152.07057	12.1
160.03879	1.2
160.07478	1.0
162.05515	2.5
163.27026	0.5
164.07065	4.5
165.07784	0.5
166.08641	34.8
167.08971	0.6
172.03935	18.5
174.05446	1.7
174.09062	2.1
176.06946	2.5
178.08549	0.5
182.08104	0.9
183.14871	0.9
184.38463	0.6
190.04987	13.6
194.08061	0.8
197.10614	1.2
198.11452	1.9
199.12276	1.1
204.06561	25.3
204.37010	0.5
209.10756	0.8
210.11478	2.8
211.12344	4.4
212.09256	0.7
212.13126	1.2
213.10150	0.8
213.13666	1.0
218.08061	1.6
221.10670	1.1
223.12315	4.0
224.09433	1.6
224.13029	0.7
225.10266	5.3
225.13751	1.8
226.10884	2.9
227.11757	3.4
229.09702	1.2
229.13322	1.6
235.08603	1.4
235.12256	1.1
236.09322	1.4
237.10205	5.6
237.13805	1.1
238.10954	3.5
239.11819	7.4
240.12440	0.7
241.09671	0.9
241.13258	0.7
243.07704	0.5
243.11118	1.2
244.09619	0.8
246.07507	0.7
248.09329	0.7
249.10257	4.6
250.10887	4.8
251.07986	1.0
251.11761	11.1
252.08919	1.5
252.12451	2.6
253.09747	2.5
253.13354	4.3
255.11327	2.9
256.11966	2.4
257.12881	1.6
259.14462	1.4
261.10187	0.9
262.10971	1.4
263.08426	0.8
263.11798	12.6
264.08865	2.4
264.12415	3.5
265.09653	6.2
265.13297	8.2
265.79190	0.6
266.10571	3.8
267.11285	13.5
268.11859	1.4
269.12772	3.8
271.10782	1.8
271.14334	4.9
272.12787	2.8
273.12302	2.0
274.12311	1.1
275.11887	1.2
276.12125	0.7
277.09659	3.0
277.13449	0.7
278.10370	3.8
279.11279	22.0
280.12000	3.6
281.09445	0.9
281.12787	8.7
282.10040	1.2
282.13336	1.7
283.10681	3.6
283.13907	0.9
284.11533	9.6
285.12347	26.1
286.12933	0.7
287.13809	2.1
289.15408	3.3
291.11264	16.3
292.11978	3.6
293.09268	2.3
293.12784	14.0
294.13354	0.9
295.10696	4.2
295.14102	1.0
296.11609	4.6
297.12344	35.3
298.13046	2.6
299.13956	5.7
307.10767	3.5
307.13739	0.5
308.11115	0.7
309.12311	16.3
310.12961	2.6
311.10172	4.5
311.13858	4.0
312.10925	1.2
313.11844	1.5
315.13513	0.7
316.14413	0.9
319.10730	11.2
320.11346	1.1
321.12283	9.7
322.13095	1.0
323.10263	9.5
323.13910	0.7
324.10846	1.2
325.11792	21.4
326.12552	1.4
327.13416	7.9
330.15900	0.8
333.12375	0.8
334.08954	0.8
337.11813	53.8
338.12445	2.8
339.13330	5.5
341.11545	2.0
341.15320	1.1
342.12949	0.8
343.13217	2.1
344.14261	1.2
346.19357	0.9
355.14047	2.8
356.14505	2.2
357.14520	10.2
358.15240	1.7
359.16089	2.0
362.18936	0.7
364.13919	0.8
367.13782	0.7
368.13971	0.6
369.14444	5.4
370.15549	1.1
371.16080	2.0
372.17065	0.8
374.18787	2.0
375.19208	1.2
376.20462	1.1
384.17245	0.9
385.14182	0.7
386.14505	0.9
388.16309	0.8
390.18314	1.1
392.19730	1.3
399.15411	1.9
400.16559	2.3
401.17181	1.0
402.18326	2.5
404.19891	3.5
406.17624	1.6
412.16641	2.4
413.14679	0.6
414.15186	0.9
416.19977	1.0
418.17279	2.7
420.19296	1.2
421.19989	1.5
422.20758	2.3
428.19632	0.9
430.17624	6.0
432.19205	6.5
433.20035	0.9
436.18671	0.9
441.14682	0.7
442.17419	1.1
443.15649	1.2
444.18967	2.2
446.21219	2.9
448.18591	11.7
449.19427	12.2
450.20270	12.3
460.18585	8.3
461.19092	4.7
462.21027	4.1
463.20587	1.6
469.16016	0.9
472.18585	3.0
473.17239	0.5
474.20532	4.1
476.18088	4.0
477.18973	1.8
478.19641	3.4
480.21243	2.3
487.17154	4.7
490.19763	19.1
491.20129	2.5
492.21341	6.9
505.18335	0.7
516.29608	0.8
519.19751	2.3
522.22260	7.5
523.22870	0.9
559.26715	0.7
560.27039	0.7
567.25110	0.7
571.25543	0.8
592.23267	0.8
594.24683	2.6
595.25409	5.4
596.23663	1.2
597.23706	0.7
598.24652	0.7
608.25934	1.9
609.26123	0.6
611.24872	1.7
612.25433	2.2
613.26556	100.0
614.26892	4.3
616.22925	0.8
626.24915	2.4
627.25079	3.7
628.25952	3.5
634.23956	1.2
636.25824	1.8
645.29181	33.9
646.29645	2.0
652.25049	22.0
653.25885	3.2
654.26617	2.2
684.27649	16.4
685.28424	2.6
718.29462	1.1
719.29645	1.5
731.33075	0.8
739.30054	1.1
746.29492	1.2
750.31836	1.2
751.32593	1.3
757.31213	2.8
775.31818	93.7
776.32062	6.0
778.28467	0.7
789.30658	1.2
790.30621	1.5
807.34467	38.4
808.35052	2.4
814.30353	3.3
913.38489	0.7
937.36603	3.1
969.38934	1.2
990.09302	0.6
1075.36670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03954	1.0
79.05495	4.5
81.03413	1.9
84.57845	0.6
85.02917	2.0
91.05485	1.4
93.07048	1.8
94.06558	3.6
95.04962	2.4
95.07339	1.1
96.08138	3.7
97.02886	1.8
99.04435	1.1
103.05456	0.8
105.04538	1.7
106.06551	1.7
107.04958	100.0
108.04574	1.1
108.05309	2.9
108.08114	7.7
109.02908	1.1
110.09678	4.8
116.04990	1.2
116.10708	0.7
120.04460	1.1
120.08076	5.2
122.06049	4.9
122.09672	1.3
124.07597	2.9
127.03939	1.3
129.03069	0.7
131.04941	1.4
132.08017	1.1
134.05980	1.5
134.67313	0.6
136.07585	14.0
138.09132	8.8
144.04472	1.8
146.05995	3.2
147.04366	1.2
148.07596	7.9
150.09158	4.2
152.07047	8.4
160.04004	1.1
162.05557	1.5
164.07083	4.0
166.08641	22.1
172.03938	9.1
174.05437	0.8
174.09093	0.8
176.07077	1.5
182.08163	1.1
190.05038	6.9
198.11601	1.3
204.06563	14.5
205.12515	0.8
207.01199	0.7
209.10823	0.8
210.11494	1.5
211.08722	0.9
211.12358	2.6
218.08093	1.5
222.11595	0.6
223.12311	2.9
225.10136	4.4
225.13840	0.8
226.11082	3.0
227.11798	2.9
229.13472	1.2
235.08867	0.8
235.12321	0.8
236.09544	1.0
237.10260	4.8
237.13875	1.6
238.08786	0.7
238.11040	3.0
239.11725	5.6
240.12614	1.4
241.13351	1.3
249.10196	4.2
250.10942	4.3
251.08237	1.4
251.11830	9.9
252.12633	2.6
253.09741	2.3
253.13306	3.6
254.10472	1.4
255.11226	1.6
256.11893	1.1
257.12946	1.2
259.14554	0.9
262.11026	1.3
263.11777	10.9
264.09140	1.4
264.12540	3.1
265.09894	3.8
265.13345	6.8
266.10471	3.7
266.13596	0.7
267.11353	9.2
268.11993	0.9
269.12900	2.6
271.10916	1.5
271.14432	2.2
272.12851	2.4
273.10977	1.5
277.09766	1.8
278.10562	1.7
279.11264	15.3
280.12036	3.6
281.12872	6.6
283.10837	2.9
283.14240	0.7
284.11523	4.8
285.12335	15.9
286.12845	0.8
287.14050	1.7
289.15585	2.4
291.11349	9.1
292.12115	1.9
293.12814	7.3
294.13422	1.0
295.10788	2.6
295.13870	1.1
296.11630	3.1
297.12317	20.7
298.13013	1.5
299.13898	4.3
307.10840	2.2
308.11096	0.9
309.12311	14.4
310.13019	2.3
311.10297	2.9
311.13956	4.3
313.12042	1.3
319.10669	5.0
321.12122	4.8
323.10349	5.4
323.13824	1.3
324.10870	1.3
325.11789	11.6
325.15439	0.8
326.12390	1.4
327.13467	13.3
330.16159	0.7
333.12952	0.9
337.11819	28.7
337.15833	1.6
338.12241	4.3
339.13382	5.0
341.11423	1.1
341.15082	1.9
343.12891	1.2
355.12921	1.1
357.14481	7.1
358.15045	1.6
359.16052	3.2
368.13675	0.9
369.14523	12.2
370.15005	1.1
371.16028	7.2
372.16861	1.0
373.13864	1.1
374.18689	1.0
377.12350	1.3
379.16583	1.5
385.13895	0.9
388.16885	0.9
391.16617	1.1
399.15201	1.0
402.18250	1.2
403.16632	2.1
404.19714	2.2
406.18695	0.7
412.16650	1.3
416.19916	1.0
418.17102	1.1
422.20810	1.3
430.17349	4.0
432.19293	4.1
434.17999	1.7
436.18732	1.4
442.06757	1.0
442.17889	1.8
444.19333	1.2
446.20749	1.2
448.18655	7.1
449.19351	4.7
450.20285	5.7
459.17673	0.9
460.18658	7.8
461.19186	1.8
462.20328	3.3
469.15991	1.0
472.18643	2.0
474.20068	2.0
476.18036	1.6
480.21313	8.4
487.17227	3.9
490.19730	11.1
491.20169	1.3
492.21317	17.2
521.20813	1.6
522.22388	9.2
523.22662	3.1
524.23187	2.9
541.20752	1.0
554.22620	1.6
555.23621	1.4
583.21375	0.8
586.25665	3.1
593.21454	1.3
594.24023	2.4
595.25726	2.8
596.23749	1.0
613.26605	48.7
614.26788	2.1
627.28662	0.9
634.24268	0.9
636.25739	1.5
644.27686	1.0
645.29333	23.1
646.28955	1.3
652.24915	9.1
653.25342	2.1
654.26648	1.0
683.26654	1.1
684.27600	8.6
685.28027	2.2
686.28290	1.1
696.34802	0.8
716.27771	3.5
717.28412	0.9
718.29877	0.9
719.30170	4.4
735.29980	0.9
739.29944	1.7
748.31348	0.9
751.33136	1.2
757.31189	3.4
758.28815	2.7
760.30676	1.3
775.31903	33.8
776.32538	1.3
778.28180	2.0
790.30957	2.1
796.29169	1.4
807.35004	10.4
808.34381	0.8
812.33002	0.8
814.31000	3.2
881.36035	6.5
901.35999	1.4
913.30194	5.4
919.35669	1.0
920.34619	5.3
921.35144	2.0
922.35736	1.5
937.36877	2.2
952.36414	1.6
1043.41174	3.9
1075.36230	5.8
1076.35938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	0.2
81.03400	0.3
84.08135	0.1
85.02907	0.2
89.03912	0.6
89.89571	0.1
91.05465	0.5
93.05795	0.2
93.07034	0.5
94.06556	0.6
95.04980	0.1
95.07339	0.4
96.08120	0.7
97.02896	0.2
97.06538	0.1
99.04497	0.1
103.05464	0.2
106.06552	0.1
107.04946	2.1
108.08109	0.7
109.02897	0.2
110.09682	1.3
116.04982	1.9
118.06532	0.1
120.08109	1.2
122.06022	1.2
124.07589	0.2
125.52917	0.1
132.08090	0.2
134.06021	0.2
136.07576	1.9
138.09145	1.6
144.04445	4.1
145.05241	0.2
146.06012	0.5
148.03925	0.2
148.07591	0.6
150.09142	0.5
152.07069	0.1
154.08641	0.2
162.05513	1.7
166.08646	3.9
172.03932	22.5
173.04272	0.4
174.05516	0.3
181.06273	0.2
184.07645	0.1
190.05005	2.4
192.06665	0.1
196.07542	0.2
196.11166	0.3
197.08286	0.5
198.09148	1.0
199.09918	2.3
200.10725	0.5
204.06557	39.5
205.06921	0.5
206.08218	0.1
210.09204	0.3
211.09900	0.5
212.10699	4.2
213.11467	1.1
222.07590	0.2
226.12260	1.9
230.11577	0.1
231.89091	0.1
239.09532	0.2
251.11830	0.3
254.11800	2.6
257.10474	6.2
258.10938	0.1
271.12039	1.2
271.14493	0.2
272.12799	100.0
273.13129	2.3
279.11301	0.2
281.13000	0.2
285.12305	0.1
289.15491	0.2
297.12430	0.4
316.08197	0.1
325.11700	0.8
329.15100	0.7
334.09155	0.5
337.11884	0.3
339.13382	0.5
343.12885	0.2
357.14456	12.0
358.14676	0.3
393.18103	1.0
395.14706	0.2
395.19620	3.2
396.20035	0.1
405.18231	0.2
416.17044	0.6
434.18106	5.7
435.18466	0.2
448.18698	0.1
487.17093	0.8
501.18503	0.3
519.19891	1.7
537.13721	0.1
555.23285	0.7
585.19177	0.1
613.26428	0.6
633.14673	0.1
697.48773	0.1
708.93719	0.1
758.29132	0.2
775.31000	0.5
790.30676	0.2
807.34515	0.1
952.36084	0.3
1109.02051	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	1078.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	1.4
77.04348	0.1
79.05492	1.9
81.03420	4.1
85.02908	0.8
87.98476	0.1
88.39239	0.1
91.05495	0.2
95.04970	3.0
97.02895	2.7
99.04448	0.5
102.04688	0.4
103.05470	27.6
104.05801	0.3
105.04513	1.6
106.04141	0.1
107.04958	90.2
108.04552	0.1
108.05282	0.9
109.02880	18.1
115.05437	0.1
119.04938	0.1
120.35178	0.1
127.03925	3.1
131.04932	100.0
132.05266	1.1
139.03909	0.8
145.05000	0.3
149.05949	0.7
167.08687	0.1
169.04974	6.5
187.06004	2.0
195.08058	0.1
197.05951	0.1
205.07104	0.8
209.09592	0.8
213.09143	0.9
215.07018	0.5
228.91328	0.1
233.08092	0.3
237.09094	0.4
239.07076	0.3
253.07159	0.1
257.08090	1.3
271.08273	0.2
275.09109	1.3
293.10208	3.7
299.09018	0.2
304.49966	0.1
317.10071	1.3
335.11249	41.8
336.11578	0.8
345.11362	0.2
381.13480	0.1
433.09302	0.1
441.15475	1.0
479.15768	0.7
497.16617	0.6
507.18784	0.5
591.95630	0.1
602.59680	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	1082.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03923	0.8
79.05492	2.2
81.03419	4.1
81.07082	0.1
81.51406	0.1
83.01345	0.1
83.04978	0.3
85.02907	3.6
87.00832	1.2
87.04459	0.1
91.03953	0.2
91.05484	5.4
92.05824	0.1
93.61092	0.1
95.01374	0.1
95.04968	2.4
97.02892	3.3
97.40189	0.1
99.04452	1.2
103.03945	0.3
103.05508	0.2
105.01862	0.8
105.04513	1.1
105.07039	0.2
107.04956	100.0
108.05281	1.3
109.02882	5.6
111.04446	0.7
115.03918	0.2
115.05470	0.1
117.01871	0.2
117.07029	0.3
119.04945	0.4
121.02888	0.2
121.06520	0.3
123.04445	0.2
125.02386	0.6
127.03917	6.9
128.04265	0.1
128.06218	0.2
129.01831	0.9
129.05475	0.1
129.07008	0.3
131.04924	0.3
131.08582	0.1
133.06476	0.3
135.04425	0.2
136.98409	0.1
137.05998	0.4
139.03951	0.2
141.01826	1.2
141.07045	0.2
143.03418	0.2
143.08589	0.2
145.04971	1.3
145.06479	0.3
147.02887	0.5
147.04419	0.3
149.05942	0.4
151.03932	0.3
153.07034	0.2
157.06473	0.4
159.02925	0.8
159.08061	0.2
161.05968	0.5
163.03986	0.2
165.05530	0.1
169.05144	0.1
169.06517	0.4
171.02913	0.4
171.08064	0.3
173.04657	0.1
173.06021	0.3
175.07558	0.2
177.04024	0.1
177.05507	0.2
181.04990	0.1
181.06404	0.2
183.08078	0.1
185.05994	0.1
187.07556	0.3
189.03934	0.1
189.05486	0.2
191.07047	0.1
193.04939	0.2
195.02972	0.2
197.05972	0.4
197.09578	0.7
199.07555	0.6
201.04021	0.2
211.07574	0.2
213.03905	1.0
213.05362	0.1
213.09129	0.6
214.18074	0.1
215.07025	0.8
217.05159	0.2
217.08589	0.4
227.07010	0.1
229.03520	0.3
231.04984	1.4
233.08116	0.2
235.06053	0.3
239.07098	0.3
247.04543	0.3
249.06093	0.6
253.06775	0.1
255.04996	0.2
259.04376	0.1
273.06073	0.4
281.07996	0.1
291.07202	0.4
297.05893	0.1
303.07245	0.3
315.07199	0.2
319.08163	0.1
321.06128	0.2
321.09644	0.1
333.08286	0.3
339.07114	1.4
339.10941	0.1
355.06729	0.2
357.08160	2.9
358.08630	0.1
373.07590	0.6
375.09229	3.4
376.09869	0.1
391.08832	0.3
393.10312	1.1
398.28470	0.1
427.10410	0.3
429.12177	0.2
445.11490	0.8
447.12906	0.3
463.12540	0.6
465.14081	0.6
481.13159	0.6
483.15164	0.1
501.12534	0.2
519.13513	0.3
537.14954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.09836	0.5
53.03947	9.1
55.01870	6.8
55.05513	8.1
65.03941	6.7
66.04701	1.3
67.05504	60.2
68.05791	0.6
69.07069	3.8
69.21786	2.7
69.22219	2.0
77.03935	0.9
79.05494	46.9
80.06255	1.0
81.03421	5.0
81.07057	50.2
86.44474	0.5
87.48840	0.4
91.05479	13.0
94.04181	5.3
94.07834	0.6
95.04996	0.7
105.04507	1.0
107.04952	1.7
107.08604	1.8
109.02907	1.6
109.06519	100.0
109.10155	31.3
110.06811	1.0
114.97069	0.5
126.53436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03950	14.2
54.58932	0.5
55.01882	2.1
55.05516	11.8
65.03948	6.0
66.04720	1.1
67.05508	100.0
67.10749	0.7
68.05832	0.6
69.07073	6.6
70.15092	0.5
71.37145	1.3
79.05495	29.5
80.06285	1.5
81.02937	0.8
81.03421	19.6
81.07059	49.0
81.27792	0.6
82.07400	0.6
91.05484	5.5
94.04198	4.1
94.07832	2.3
95.05015	1.0
97.00037	0.6
104.18224	0.6
105.07037	0.8
107.04976	1.5
107.08601	3.4
109.02885	7.7
109.06520	38.9
109.10161	48.3
110.06842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01595	0.5
50.17777	0.4
51.02389	1.2
51.80312	0.4
53.00319	0.7
53.03951	21.5
53.21497	0.5
54.04299	0.5
55.01880	3.2
55.05514	10.7
65.03944	5.8
66.04296	0.6
66.04733	0.8
67.05508	100.0
67.89570	0.5
68.05848	0.9
69.03426	1.0
69.07068	7.2
69.07421	0.6
71.81089	0.5
79.05500	31.9
80.05827	0.7
80.06279	0.9
81.03422	29.1
81.07059	50.8
82.06624	0.8
91.05482	6.6
93.06168	0.9
94.04198	4.0
94.07823	1.3
95.04990	1.2
98.08068	0.5
105.07043	0.7
107.04944	1.6
107.07893	0.6
107.08603	3.8
109.02887	9.0
109.05392	1.2
109.05647	1.4
109.06522	42.9
109.07706	1.1
109.10162	45.4
110.06043	1.8
110.10497	0.5
114.94611	0.5
123.28615	0.6
125.99987	0.4
129.20041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0604
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
53.03952	0.7
54.04297	0.6
55.05503	1.3
56.05838	0.5
65.03944	30.8
66.04263	0.5
67.04240	0.6
67.05508	4.2
68.05077	0.4
68.05848	4.8
69.25161	1.0
69.25564	3.5
70.66019	0.4
80.05827	1.1
81.07090	0.8
82.03754	1.0
82.06590	2.6
82.07388	2.1
85.79195	0.5
92.05010	76.0
93.03413	7.8
93.05325	0.8
101.73059	0.4
108.08894	0.4
110.06048	100.0
110.10495	3.8
111.04456	6.8
111.06374	0.8
111.08070	0.5
113.96407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03945	9.1
55.01633	1.4
55.01873	13.6
55.05513	45.9
57.03452	2.0
63.89692	1.1
65.03946	8.0
67.05503	6.7
69.03430	18.4
69.07071	3.2
69.24963	11.4
70.94267	2.9
70.95842	1.6
72.04166	1.1
75.30583	1.2
81.07055	4.6
82.05307	1.7
83.04980	10.0
83.06078	1.8
83.07761	1.1
83.08613	8.6
88.00489	5.1
91.05485	22.4
93.03405	2.9
93.07043	27.7
95.04982	7.4
98.20775	2.0
105.04503	4.2
111.04449	26.3
111.05576	3.7
111.08082	100.0
112.03971	1.4
112.07621	2.2
112.08378	1.7
115.96436	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	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03948	14.2
55.01873	16.3
55.05512	79.6
56.59337	1.3
57.03419	2.1
65.03941	13.3
65.83423	1.3
67.05512	10.7
68.05822	2.6
68.79043	1.4
68.99776	1.5
69.03430	19.1
69.07057	4.1
70.06580	1.4
71.48613	1.5
77.03917	2.1
81.07049	5.7
82.05302	2.1
83.04979	18.9
83.06083	2.9
83.06907	1.6
83.08621	16.1
88.00507	8.4
91.05482	26.3
93.03412	4.3
93.07049	39.6
95.04963	8.3
96.05751	1.5
97.01026	1.6
101.19941	1.3
103.99871	1.5
105.04501	4.1
111.04445	34.7
111.05560	4.0
111.06403	4.8
111.08081	100.0
111.09258	3.8
111.10838	2.1
112.03963	2.0
112.05103	1.9
112.07616	3.9
115.96474	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	111.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.2
55.01871	15.2
55.05516	48.2
57.03437	1.7
65.03938	8.4
67.05511	5.6
69.03435	20.4
69.07069	4.8
69.34372	3.2
69.34797	5.3
70.95850	1.9
77.03922	3.5
79.05511	1.3
81.03400	1.3
81.07056	3.5
83.04993	13.2
83.06095	1.3
83.07809	1.1
83.08627	10.7
85.33486	1.2
85.61483	1.3
88.00485	6.6
91.05479	24.1
93.03420	2.4
93.06489	2.3
93.07046	35.7
93.07645	1.7
95.04971	7.4
97.01001	1.3
105.04506	4.2
111.04446	24.8
111.05582	3.6
111.08084	100.0
112.03970	1.4
112.07602	3.6
112.08372	1.1
115.96429	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	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01893	0.5
55.01863	1.2
55.05524	0.3
56.05027	1.4
56.96566	5.1
57.03421	1.0
59.52198	0.4
63.52405	0.4
67.01865	1.5
67.02984	1.0
67.05495	1.4
68.01402	1.7
68.05017	0.9
69.03433	14.6
69.04192	0.5
69.04552	9.2
69.07061	0.9
70.02964	1.9
70.06593	3.7
70.94267	0.7
70.98120	0.6
71.47823	0.5
71.94096	0.9
72.52962	0.4
81.03413	0.5
82.01439	0.6
82.06564	0.7
83.05620	0.3
84.01554	0.3
84.04496	0.9
84.06461	0.3
84.08142	5.4
85.02901	0.7
89.00753	0.5
94.04061	4.8
94.06566	1.0
95.01347	1.1
95.02454	29.4
95.06082	0.6
96.00852	0.8
96.01514	0.4
96.04495	0.9
100.02491	1.8
103.10256	0.3
104.01237	0.5
110.01283	0.3
110.97556	0.4
112.04016	2.6
112.05091	100.0
112.07602	22.0
113.02370	8.7
113.03501	1.9
113.05403	0.4
114.81287	0.3
118.03504	0.6
131.01917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01903	0.3
55.01849	0.3
55.05505	0.3
56.05031	0.4
56.96567	1.7
67.01857	0.5
67.02984	0.8
67.05498	0.5
68.01390	1.3
68.05029	0.5
68.63062	0.2
69.03435	5.7
69.04558	9.2
69.07072	0.4
70.02954	1.0
70.06599	1.6
70.33019	0.8
70.98136	0.4
71.02470	0.3
71.03009	0.2
82.01446	0.2
84.04504	0.4
84.08150	2.5
94.04063	4.2
94.06580	0.4
95.02459	28.6
96.00853	0.3
98.20778	0.3
98.97588	0.2
99.52326	0.2
100.02513	0.4
105.79174	0.2
108.23086	0.3
112.05096	100.0
112.07607	9.4
113.02378	2.4
113.03485	0.7
113.05425	0.7
131.01974	0.2
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
50.73096	0.4
53.03943	0.8
55.01876	4.1
55.05510	1.2
56.96571	2.1
57.03439	6.0
57.07074	4.8
65.03614	0.7
65.03942	13.2
67.01868	8.7
67.02200	0.7
67.05506	88.1
68.05032	1.4
68.05827	1.0
68.99785	0.6
69.03425	2.1
69.07069	1.3
70.02957	13.8
70.03765	0.8
70.06609	0.7
70.57220	0.7
71.04993	12.1
71.94100	4.7
71.95251	1.9
72.93791	23.2
79.05458	0.4
83.01340	0.4
83.04987	0.5
85.02923	2.5
85.06539	8.4
85.08463	0.6
86.06044	0.9
86.56194	0.4
90.94833	8.4
95.01345	4.6
95.02444	1.5
95.04970	20.7
95.08613	1.2
96.00853	10.1
96.04503	0.6
102.63256	0.4
103.46864	0.4
108.95880	0.5
110.36325	0.4
113.00146	2.6
113.02360	100.0
113.03483	19.5
113.06006	14.9
113.07174	0.6
113.07918	1.8
113.10763	0.5
113.96396	1.7
114.02760	0.9
114.03656	0.4
114.05534	1.0
114.09188	1.9
126.32607	0.5
131.97414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.05501	6.1
55.79949	1.2
57.03446	8.7
57.03695	2.1
57.07079	69.9
65.03936	9.4
67.01862	6.0
67.05506	89.5
67.58385	1.2
68.05035	2.4
69.03416	1.4
69.07069	3.2
69.33463	12.0
69.79186	1.4
70.02952	13.4
71.04992	19.1
71.94090	3.7
72.93790	18.5
75.67950	1.5
85.06543	26.3
90.94833	5.0
95.01323	3.6
95.04973	35.1
95.08586	3.3
96.00843	6.8
98.20718	1.3
113.02370	100.0
113.03481	15.5
113.06014	20.3
113.09656	4.0
113.96426	1.8
114.09156	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	115.0758
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03950	1.3
55.01871	3.6
55.05516	13.5
57.03438	4.2
57.93575	2.3
58.06607	0.7
59.05006	9.1
62.43332	0.7
67.05508	3.2
69.03435	8.1
69.07072	100.0
70.02962	0.7
70.06598	24.5
70.07405	2.0
70.94221	1.7
72.42802	0.6
72.93789	4.9
73.02906	1.5
73.06561	51.6
73.93839	4.4
74.93834	18.2
79.05493	4.7
80.05830	1.6
85.02941	0.6
87.00821	1.4
87.04472	8.5
88.07622	1.1
90.94848	1.9
91.94891	1.3
92.94881	5.4
97.02892	2.4
97.06535	17.4
97.08513	0.8
115.03936	22.9
115.05471	8.0
115.07619	3.5
115.08768	1.0
115.09495	9.5
115.96414	2.2
116.07092	2.4
116.10745	4.2
116.97256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77987	1.2
53.03945	3.8
55.05492	1.2
56.96568	44.2
57.03446	2.2
59.04972	1.5
59.06133	1.1
60.95843	1.6
63.55541	0.9
69.03442	16.2
70.06584	2.3
70.86263	2.6
70.86597	1.8
71.04989	4.3
71.06925	6.3
71.95266	10.4
72.08144	2.3
73.02917	2.7
76.93381	3.0
78.16851	1.4
81.03410	1.4
82.01453	3.3
84.08110	1.1
93.52592	1.8
94.06572	2.3
94.54245	4.9
98.97588	100.0
99.04468	2.4
100.02480	7.2
102.53128	15.4
103.54774	1.7
106.05045	13.0
111.06844	1.5
111.53640	10.7
112.03819	1.3
112.07613	10.2
115.05471	2.5
116.98627	44.5
117.05482	1.9
118.03558	2.7
118.06516	1.8
118.08630	2.2
134.99646	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	1166.444
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	2.1
81.07093	0.2
85.02908	1.3
85.06589	0.1
91.05475	0.5
95.04964	2.6
97.02884	2.6
97.03802	0.2
99.04465	0.3
102.04684	0.5
103.05463	27.2
103.44009	0.2
104.05786	0.2
105.03413	0.1
105.04533	1.2
105.07078	0.2
107.04951	56.4
108.05283	0.6
108.13618	0.1
108.72328	0.2
109.02870	1.2
110.65755	0.1
115.05454	0.2
127.03921	2.1
131.04924	100.0
132.05241	1.3
145.04958	0.5
149.05980	6.8
181.10027	0.3
209.09581	1.6
213.08989	0.7
215.06914	0.2
215.08723	0.2
221.09567	0.2
233.09714	0.2
237.09091	0.6
255.10118	0.2
257.08051	0.7
261.09048	0.2
274.27509	0.2
275.09125	3.4
293.10184	34.5
294.10406	0.7
375.31604	0.2
399.14624	0.8
423.14240	0.5
430.65176	0.2
436.51511	0.2
455.15283	0.5
549.17340	0.2
585.19391	0.3
930.13531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1166.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	1.0
83.17055	0.1
85.02910	0.2
87.81586	0.0
89.03931	0.1
91.05482	0.2
94.58201	0.1
95.04967	2.4
97.02894	0.5
99.00804	0.1
99.04430	0.1
102.04668	0.6
103.05468	29.6
104.05801	0.4
105.04517	1.1
107.04955	33.0
108.05280	0.4
109.02884	1.0
115.05457	0.1
118.06534	0.1
127.03941	0.6
131.04930	100.0
132.05258	1.6
144.08093	0.1
145.04973	0.2
149.05983	2.1
161.09044	0.1
181.10130	0.2
187.07547	0.1
205.10283	0.1
209.09593	0.8
213.09117	0.2
215.06927	0.1
215.08791	0.1
231.08115	0.1
233.07784	0.1
233.09685	0.2
237.09109	0.5
255.10225	0.1
257.08093	3.8
258.08453	0.1
261.09216	0.2
264.38782	0.1
275.09149	4.3
276.09543	0.1
279.10101	0.2
293.06876	0.1
293.10178	2.3
363.12381	0.1
381.13486	0.3
399.14334	0.1
405.13266	0.9
423.14389	11.5
424.14569	0.5
437.14313	0.1
529.18878	0.4
567.18402	0.2
585.19507	0.1
595.21625	0.2
965.51801	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	1166.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	1.1
85.02919	0.3
85.06550	0.2
91.05487	0.7
93.34940	0.1
95.04970	3.3
97.02896	0.7
98.21496	0.2
99.00793	0.4
99.04443	0.3
102.04667	0.5
103.05466	31.3
104.05803	0.5
105.04513	1.5
107.04954	51.3
108.04611	0.1
108.05277	0.7
109.02872	1.3
115.05476	0.1
118.06562	0.1
119.04899	0.1
127.03913	1.2
129.07004	0.1
131.04927	100.0
132.05243	1.3
144.08098	0.1
145.05003	0.3
145.06490	0.1
145.08537	0.3
149.04785	0.2
149.05980	2.4
165.06995	0.1
166.07776	0.3
178.07544	0.1
181.10098	1.4
182.31956	0.1
191.06979	0.1
191.09001	0.2
205.10158	0.5
207.02748	0.1
209.09621	0.6
213.09113	0.2
215.07063	0.1
215.08687	0.6
221.97800	0.1
225.03860	0.1
233.09782	0.7
237.09174	0.4
243.05031	0.1
243.08282	0.1
251.09163	0.1
257.08102	3.4
258.08463	0.1
261.09122	1.3
275.09128	3.9
276.09512	0.2
279.10162	1.1
293.06940	0.1
293.10196	1.8
297.11075	0.1
363.12424	0.1
381.13266	0.2
405.13321	1.6
423.14380	10.1
424.14499	0.4
524.55292	0.1
529.19012	0.3
553.21155	0.1
567.18579	0.1
570.76892	0.1
585.19598	0.1
588.69171	0.1
590.17743	0.1
595.21643	0.3
742.52594	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	1166.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03414	0.6
81.17726	0.1
82.15678	0.1
85.02903	0.3
91.40176	0.1
95.04969	3.1
95.08627	0.1
97.02896	0.7
102.04664	0.5
103.05467	31.5
104.05819	0.3
105.04517	1.4
107.04955	66.8
108.05279	0.7
109.02885	0.1
119.04948	0.1
127.03926	0.4
131.04930	100.0
132.05252	1.4
137.06018	0.1
144.08110	0.2
145.05013	0.2
145.08592	0.1
149.05988	2.9
161.02629	0.1
167.67877	0.1
191.09164	0.2
197.55249	0.1
209.09583	0.2
213.09102	1.2
237.08943	0.2
257.08191	0.2
275.09140	6.4
276.09525	0.1
293.10156	0.6
405.13379	0.9
423.14398	20.3
424.14807	0.8
450.58994	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	1176.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04975	0.3
83.24618	0.1
85.02883	0.5
86.09713	0.1
89.03971	0.1
90.72128	0.1
91.05471	1.8
93.07030	0.7
93.62492	0.1
95.04964	3.3
95.08597	0.2
97.02890	0.3
97.06525	0.6
99.04467	0.9
103.05450	0.5
105.04527	1.5
105.07030	8.5
106.07372	0.1
107.04951	100.0
107.08577	0.7
108.05282	1.1
108.72592	0.1
109.02840	0.1
109.06500	0.4
111.08082	0.1
113.06013	0.2
115.05439	0.5
117.07021	1.4
119.04951	0.6
119.08583	0.8
121.06503	1.8
121.10162	0.1
123.04446	0.2
123.08044	0.1
125.06010	0.5
127.03906	0.3
128.06223	0.4
129.07016	0.6
130.07784	0.7
130.08617	0.1
131.04941	0.2
131.08572	1.8
133.06493	2.0
133.10115	1.5
135.04401	0.1
135.08055	0.2
137.06000	0.3
139.07556	0.1
141.06984	0.3
142.07761	0.1
143.07034	0.4
143.08543	0.9
144.05711	0.2
144.09343	0.7
145.04985	0.4
145.06499	1.3
145.10120	16.3
146.10550	0.2
147.04405	0.3
147.08047	0.4
147.11688	0.3
149.05928	0.2
151.07550	0.2
153.07054	0.2
154.07758	0.3
155.08542	0.7
157.06494	0.2
157.10162	0.4
158.07263	1.5
159.08069	1.7
159.11688	6.3
160.11990	0.1
161.09605	1.4
163.06126	0.1
163.07487	0.2
163.11180	0.2
167.08559	0.2
169.10152	1.2
171.08043	0.6
171.11674	0.3
172.08830	0.6
173.09618	10.4
174.09976	0.3
179.08557	0.5
182.07312	0.3
183.08018	0.8
185.09619	0.7
187.11172	6.8
188.11583	0.1
189.09045	0.1
189.12709	0.7
191.10660	0.6
195.08061	0.3
195.26256	0.1
197.09598	2.6
199.11206	0.2
203.10510	0.1
205.08522	0.4
205.12233	15.8
206.12567	0.3
209.09662	0.3
211.07625	0.2
211.11111	0.6
213.09093	2.1
215.10666	20.2
216.11024	0.4
225.09137	0.5
227.10674	0.3
229.08618	0.3
231.10194	0.2
233.11716	25.3
234.12086	0.6
239.10664	0.4
243.10196	0.3
245.11797	0.3
249.12810	0.2
251.12616	0.3
251.14578	0.3
261.12613	0.2
265.15714	0.2
265.49286	0.1
267.08411	0.1
269.10239	0.1
275.14334	0.1
279.13812	0.4
290.12506	0.1
293.15390	0.9
295.16727	0.3
297.14816	0.2
303.13834	0.3
309.13300	1.7
311.16400	2.2
313.18018	0.2
319.11740	3.3
321.14844	2.0
321.18356	0.2
325.11206	0.3
337.12820	6.6
339.15912	3.7
340.16287	0.2
355.13867	23.3
356.14212	0.7
357.16956	3.8
358.17215	0.1
415.17593	0.7
417.20416	0.2
425.15848	0.2
427.18378	0.1
443.16959	1.4
445.19998	0.2
461.18021	0.9
499.18188	0.2
887.29236	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	1176.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04997	0.3
85.02912	0.7
91.05479	1.8
91.16739	0.1
93.07044	0.7
95.04966	3.6
95.05577	0.2
95.08614	0.2
96.46396	0.1
97.02882	0.3
97.06534	0.5
99.04434	0.6
103.05469	0.5
105.04529	1.4
105.07031	9.2
107.04955	100.0
107.08570	0.8
108.05285	1.2
109.02895	0.2
109.06532	0.3
111.04448	0.1
111.08076	0.3
115.05463	0.6
117.07025	1.3
119.04935	0.6
119.08582	0.9
121.06509	1.4
121.10143	0.2
123.04375	0.2
125.05970	0.4
127.03924	0.3
128.06241	0.2
129.07016	0.6
130.07796	0.8
131.04916	0.4
131.08566	2.0
133.05606	0.2
133.06503	2.0
133.10150	1.4
135.04385	0.1
135.08060	0.2
137.05988	0.4
139.07558	0.2
141.06982	0.4
142.07765	0.2
143.07037	0.4
143.08565	1.2
144.05630	0.2
144.09360	0.6
145.04956	0.2
145.06483	1.4
145.10123	17.8
146.10497	0.3
147.04402	0.4
147.08040	0.5
147.11703	0.3
149.06047	0.2
153.07066	0.2
154.07739	0.5
155.08521	0.6
157.06429	0.2
157.10158	0.5
158.07278	1.3
159.08063	1.6
159.11694	6.5
161.09625	1.9
163.06099	0.2
163.07506	0.4
163.11169	0.3
169.10094	1.3
171.08038	0.7
171.11682	0.5
172.08856	0.5
173.09619	10.3
174.09999	0.1
175.07599	0.2
177.12762	0.3
179.08583	0.5
181.06560	0.2
182.07291	0.3
183.08054	0.6
185.09598	0.7
187.07600	0.3
187.11180	7.0
188.11490	0.2
189.09154	0.1
189.12708	0.8
191.10654	0.8
195.08028	0.2
197.09618	2.8
199.11179	0.3
205.08490	0.4
205.12236	16.1
206.12599	0.2
209.09636	0.2
211.11171	0.8
213.09081	2.2
215.10674	19.8
216.11009	0.5
225.09076	0.6
227.10681	0.2
229.08533	0.1
231.10255	0.2
233.11722	26.4
234.12021	0.6
239.10713	0.4
243.10210	0.3
245.11798	0.3
249.12801	0.2
251.12796	0.4
255.10048	0.2
275.14453	0.2
279.13675	0.3
285.12680	0.1
293.15323	0.9
295.16891	0.3
297.14893	0.2
303.13907	0.2
309.13235	1.9
311.16373	2.1
313.18118	0.2
319.11777	4.1
321.14798	1.7
325.11301	0.4
337.12817	7.1
338.13156	0.2
339.15918	3.7
340.16248	0.1
355.13879	22.7
356.14151	0.5
357.16986	3.6
406.43753	0.2
415.17554	0.7
417.20557	0.2
427.18423	0.2
431.14856	0.2
443.17029	1.5
445.20010	0.3
461.17966	1.1
499.17892	0.3
549.21411	0.1
605.20966	0.2
695.65265	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	1179.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02905	2.5
86.06084	0.2
87.04478	0.4
88.72897	0.2
91.03947	0.2
91.05495	0.5
93.05813	1.0
93.07037	0.5
94.06590	1.0
95.04995	0.4
96.08123	0.5
97.02904	1.7
99.04452	0.4
101.02372	0.2
103.74168	0.2
105.07034	0.2
106.06515	0.3
107.04959	9.1
107.07356	0.4
108.05296	0.4
108.08122	6.7
109.02872	0.5
110.09660	0.4
120.08118	1.6
120.08894	0.3
121.02884	0.4
121.06525	0.4
122.06032	2.2
122.09696	0.4
122.76907	0.2
127.03918	0.7
130.06558	0.2
131.04988	0.3
132.08118	0.4
134.06033	0.3
134.09607	0.3
136.07582	12.6
137.05988	1.0
138.05486	0.2
138.09158	0.8
140.99422	0.2
142.08655	0.2
144.08118	0.4
145.05057	0.2
146.05994	0.3
146.09604	0.3
147.04422	0.3
148.07564	2.5
150.09169	0.6
152.07106	1.0
156.08136	0.3
158.09650	0.3
160.07527	0.2
161.73306	0.2
164.07059	2.2
166.08636	1.4
170.08597	0.2
172.07465	0.2
174.09116	0.8
178.08694	0.4
186.09206	0.4
188.10678	0.3
198.09355	0.2
204.06570	0.2
204.10152	1.1
206.08150	0.2
210.09171	0.2
211.12450	0.2
212.10767	0.2
212.16414	1.0
213.10245	0.3
220.09805	0.2
221.10759	0.2
222.11522	0.3
223.12317	0.4
225.10310	0.2
226.12320	0.3
227.08163	0.8
227.11916	0.3
235.08759	0.5
235.12392	0.4
236.09459	0.5
237.10301	1.0
237.13884	0.6
238.10962	0.3
238.18054	0.3
239.08202	0.3
239.11888	1.0
241.09810	0.7
243.07567	0.2
244.13351	1.2
248.09381	0.2
249.10217	1.8
250.08589	0.4
250.10912	1.5
251.08128	0.3
251.11810	4.1
252.12486	0.3
253.09746	0.5
253.13435	0.4
258.10312	0.2
261.10391	0.5
262.11087	0.7
263.08929	0.2
263.11801	5.9
264.09225	0.3
264.12616	0.7
265.09805	3.1
265.13461	2.5
266.10544	0.9
267.11246	1.2
269.09485	0.2
271.11041	0.3
272.12811	1.4
273.10452	0.2
274.10892	0.2
275.08463	0.2
275.11862	1.0
277.09802	2.2
277.13437	0.9
278.08057	0.2
278.10571	1.5
279.08340	0.2
279.11279	5.5
280.11963	0.9
281.09824	0.3
281.12854	4.2
283.10837	0.5
285.12354	0.3
287.05551	0.6
289.09839	0.7
290.10599	0.6
291.11273	9.7
292.11926	1.3
293.09378	0.5
293.12830	10.3
294.10413	0.2
294.13461	0.6
295.10776	1.5
297.12399	0.5
301.09879	0.2
303.11377	0.5
305.09290	0.4
305.12991	1.4
307.10776	2.3
307.14078	0.3
308.11411	0.3
309.12280	2.0
311.14078	0.4
313.07138	0.2
313.13116	0.2
313.16241	0.2
314.16864	0.2
315.10999	0.2
316.15649	0.2
317.09229	0.6
317.12689	0.3
319.10797	3.2
321.12299	0.6
323.10431	0.5
323.14124	0.7
324.11304	0.2
325.12045	1.1
325.15701	0.3
326.13272	0.5
326.16785	0.4
327.11252	0.3
327.14691	0.3
328.11462	0.3
328.14920	0.4
329.12881	1.4
329.16129	0.4
330.13638	0.7
333.08856	0.2
333.12488	0.7
335.10297	0.6
336.11255	0.5
337.11841	2.7
337.15463	0.2
338.12735	0.6
339.14090	0.6
340.14651	1.1
341.12183	1.2
341.16232	0.3
342.13010	1.5
342.16965	0.3
343.14212	1.6
344.17984	0.3
344.78702	0.2
345.15997	0.4
349.11807	0.3
351.13486	0.8
352.14505	0.7
353.15329	0.9
354.12170	0.9
354.16107	0.8
355.14038	3.1
356.13934	1.2
356.17819	0.5
357.12360	0.6
357.15836	0.7
358.19272	0.5
364.14603	0.4
365.15466	1.0
366.12244	0.3
366.16382	0.4
367.13409	0.8
368.14075	2.9
368.17807	0.6
369.15515	1.7
370.16281	1.6
370.19812	0.3
371.13046	0.3
371.16980	0.7
372.17099	0.4
374.21899	0.6
378.16342	0.3
379.14108	0.3
380.14053	0.7
381.15082	1.6
382.15628	2.3
383.16998	1.8
384.13672	0.3
384.17181	4.9
385.15857	0.6
386.14880	0.2
386.18765	4.0
389.14743	0.8
390.15851	0.4
394.15601	0.5
395.16852	0.3
396.13306	1.0
396.17697	2.4
397.14612	0.6
398.14871	0.6
398.19202	1.6
399.16547	0.7
400.16196	1.0
401.14737	1.4
402.15302	1.0
403.16550	0.7
405.14731	0.7
406.15427	0.2
408.17352	0.3
409.14212	0.9
410.14679	1.1
410.19855	0.3
411.16058	1.8
412.16592	4.5
413.14734	1.6
414.18335	5.2
415.16446	1.5
416.14987	0.2
416.19864	3.9
419.16281	0.5
420.16995	1.0
424.16699	1.8
425.17438	0.3
426.18231	5.8
428.15683	0.7
428.20483	3.8
429.14432	0.7
429.18781	0.7
430.17618	0.9
431.16467	0.8
432.17563	0.6
434.18518	0.4
440.15985	0.4
441.14249	1.0
442.17752	10.3
443.16373	1.6
444.19244	18.4
445.19208	0.6
446.17227	1.5
447.15555	0.4
448.16425	1.3
449.17413	0.4
452.16165	1.1
453.16647	0.2
454.17731	3.5
455.15836	1.1
456.15622	0.2
457.17004	0.2
458.16867	0.4
459.17709	0.7
460.18613	2.3
461.17117	4.5
462.17694	0.8
463.18927	0.4
464.19760	0.4
470.17145	6.8
470.23691	0.3
471.17740	0.5
472.18686	2.5
473.16937	1.3
474.17770	0.8
475.18854	0.6
476.21277	0.6
478.20624	0.3
480.19418	0.3
487.17383	0.9
488.18173	5.8
489.18750	0.6
490.20288	0.6
492.19040	1.1
493.20099	0.3
502.20126	0.8
504.21896	0.3
505.20480	0.2
506.21103	0.5
508.20078	0.5
520.19269	1.1
521.19623	0.4
522.22772	0.3
524.21643	0.2
534.20160	0.3
535.21985	0.5
536.21625	0.3
537.23096	0.4
547.19153	0.3
548.21808	0.4
549.20898	0.3
550.23444	0.5
552.21252	2.1
553.22028	2.9
560.22858	0.2
562.22296	0.2
564.20935	0.8
565.21967	0.2
566.22845	1.1
567.22491	0.4
576.21777	0.5
578.23682	0.4
579.22040	0.2
580.22656	0.3
584.23895	1.4
588.23370	0.6
590.21466	1.3
592.23224	0.2
594.22394	0.8
595.22900	0.3
596.24158	1.8
597.24738	0.2
598.25226	0.4
604.22809	2.0
606.24426	8.6
607.24707	0.4
608.22797	0.8
609.23602	0.3
610.25214	0.4
611.24915	0.4
614.22919	0.8
615.22260	0.2
621.24091	0.2
622.23822	0.5
624.23090	0.2
625.24561	0.6
626.24951	6.0
627.25122	0.5
627.36151	0.2
628.26550	0.4
632.22418	8.2
633.23480	0.3
638.27234	0.3
643.26917	0.4
650.23413	7.4
651.23822	0.5
670.26416	0.3
682.26105	1.5
684.27948	0.2
686.28339	0.4
700.27374	0.5
702.28235	0.8
714.27173	0.5
715.27618	2.3
716.27704	0.2
717.28979	2.5
718.28198	0.3
720.29224	0.3
731.30573	0.3
732.29041	4.0
733.32336	0.4
742.27100	0.2
744.31152	4.4
745.30133	0.2
749.31744	4.4
750.32056	0.3
756.27588	0.7
758.29132	0.4
760.30310	0.2
770.29211	0.9
771.28949	1.3
773.30054	0.3
776.30347	0.5
787.29407	0.4
788.30225	100.0
789.30566	6.7
789.45544	0.3
790.31622	0.6
803.31348	0.3
805.32422	0.5
812.28510	0.7
823.33545	0.7
837.34534	0.2
844.32599	0.2
855.37036	0.8
866.34753	0.3
879.34851	0.8
881.34027	0.4
882.34259	3.5
883.34961	0.2
893.35797	0.2
894.34479	1.5
906.36011	0.3
910.36115	1.9
911.37073	6.8
912.37402	0.6
932.34943	0.3
950.35541	14.8
951.36066	1.1
1017.41364	4.1
1018.41443	0.4
1057.48816	0.2
1072.41650	0.2
1073.42126	0.2
1179.43945	0.5
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
50.01581	2.7
51.02375	7.4
53.03951	83.2
55.01871	3.9
61.67288	1.7
63.59278	1.5
65.03944	1.8
70.05217	5.4
70.05643	3.4
72.08165	2.4
74.80790	1.6
77.03931	21.1
81.03414	7.9
91.05485	19.1
94.25164	1.7
95.04969	73.8
105.04516	41.4
114.34054	1.7
117.06987	3.0
118.06546	100.0
118.08659	3.0
119.08590	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02393	6.8
53.03953	86.4
55.01880	5.2
62.02454	2.5
69.72348	3.1
69.72654	16.6
72.08167	6.8
75.01990	3.0
76.93355	4.5
77.03951	17.1
81.03410	9.9
83.28378	2.8
91.05487	7.9
95.04972	66.0
98.79339	2.8
105.04522	41.4
116.11329	2.7
118.06549	100.0
118.08668	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02380	7.2
51.02593	1.7
53.03951	79.1
55.01871	4.7
57.65623	1.6
61.44957	1.6
62.53488	1.5
65.04891	1.5
69.58576	10.3
77.03932	18.8
78.36589	1.5
81.03421	7.0
91.05483	20.5
92.05828	2.4
95.04974	72.7
103.05491	2.1
104.06252	2.0
105.04524	41.3
116.05797	5.4
117.07036	2.0
118.06557	100.0
118.07320	6.6
119.08604	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	6.1
53.03950	80.2
54.04257	2.3
55.01861	4.2
56.49091	1.8
57.53759	1.7
59.07385	2.6
65.03943	2.0
69.44508	9.6
69.44926	4.6
72.08157	2.5
76.93373	5.5
77.03935	14.9
81.03410	6.2
91.05482	12.9
95.04972	60.6
105.04519	35.7
110.25196	2.1
117.07024	5.4
118.06548	100.0
118.08664	5.4
119.04983	2.5
119.05882	2.0
119.06860	2.2
119.08583	8.1
131.57486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01606	3.1
51.02373	9.2
53.03949	85.8
54.55124	2.2
60.86587	2.0
65.03938	2.2
70.18335	8.8
71.90588	2.0
77.03531	3.0
77.03929	24.7
81.03403	8.9
91.05484	12.2
95.04977	67.5
105.04523	44.3
117.07050	2.4
118.06548	100.0
119.06905	2.3
119.08601	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	10.5
53.03948	87.0
55.01871	4.3
71.41867	4.4
74.62361	2.2
77.03931	23.4
81.03409	9.2
91.05478	8.8
95.04379	4.7
95.04969	65.1
105.04514	42.0
118.06547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02373	8.4
53.03949	91.8
55.01865	3.2
65.03943	2.6
66.45872	2.5
66.79350	3.2
71.95188	2.4
77.03928	20.8
81.03413	7.9
81.42036	2.6
91.05479	7.0
94.11554	2.4
95.04971	71.3
105.04517	38.6
118.06549	100.0
131.37479	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	9.4
53.03950	82.9
55.01885	3.0
65.03945	3.5
70.57826	4.3
72.08144	2.9
76.93370	3.0
77.03931	21.7
81.03413	7.7
84.38203	1.5
89.60242	1.5
91.05482	22.4
95.04972	63.8
95.05579	3.4
104.06253	1.6
105.04518	41.4
117.07009	4.0
118.06544	100.0
118.08647	2.8
119.04927	1.9
119.08606	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30761	2.2
51.02368	8.9
53.03950	76.9
54.77575	2.6
55.01874	4.5
72.08154	2.9
77.03931	16.9
81.03424	7.4
91.05479	7.6
95.04973	69.2
105.04520	41.8
118.06551	100.0
118.08685	5.2
119.95672	2.4
132.14957	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00812	2.2
51.02375	9.2
53.03950	73.5
62.25245	2.3
64.56030	2.1
76.00829	2.0
76.93371	2.5
77.03935	25.2
81.03407	6.7
91.05492	8.9
95.04971	65.9
105.04523	43.6
115.33762	2.1
118.06550	100.0
118.08672	4.4
134.97925	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	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03953	1.0
55.05516	16.8
56.05024	0.4
56.83635	0.3
56.96561	0.9
57.03445	0.4
57.05811	1.0
58.06604	34.7
59.05004	0.5
59.07386	35.8
69.03423	1.2
69.57314	2.1
70.06609	0.5
72.08160	85.0
73.08511	0.4
76.93362	0.6
82.01447	1.0
84.08186	0.6
91.05508	0.6
94.54276	1.1
95.05023	0.4
98.20820	0.5
98.97593	0.8
100.02489	1.9
105.04493	0.5
106.05050	1.7
106.55134	0.4
112.07599	1.8
118.08662	100.0
119.01916	0.5
119.09001	0.4
133.03485	0.4
135.27211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
50.95355	0.2
51.08127	0.2
55.05515	3.2
56.05029	0.2
58.06605	36.5
59.05001	0.3
59.07386	36.5
59.99760	0.2
60.07703	0.2
60.08168	0.3
63.30177	0.2
64.12719	0.2
69.50188	0.2
70.06618	0.2
70.44098	0.2
70.98365	0.4
71.36786	0.2
72.08161	16.3
76.07643	0.4
100.07655	0.3
102.05476	0.2
118.08663	100.0
119.08984	0.7
121.32735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06570	0.6
85.02890	3.1
89.03911	1.0
91.05475	2.1
93.05778	1.0
93.07041	2.6
94.06576	5.5
95.04974	4.1
95.07338	2.2
96.08132	6.8
97.02908	2.4
97.06521	0.7
99.04456	0.4
101.02371	0.4
102.15304	0.4
103.05495	0.9
105.04518	1.7
105.07019	0.4
106.06549	3.3
107.04957	100.0
107.07359	1.5
108.04502	0.8
108.05305	1.2
108.08118	10.9
109.02910	0.9
110.09682	8.7
116.04977	1.8
118.06552	0.9
120.04489	1.5
120.08117	8.8
121.06519	0.9
121.08874	0.6
122.06027	7.6
122.09657	1.8
124.07597	5.7
127.03906	0.7
131.04958	0.9
132.04451	0.4
132.08104	0.5
133.06436	0.5
134.06001	2.5
134.09634	0.6
134.68950	0.4
136.07585	18.5
137.06000	0.9
137.08244	0.6
138.05516	0.9
138.09142	15.0
144.04457	4.3
144.08070	0.6
145.05029	0.6
146.06004	6.1
146.09595	0.6
147.04390	0.4
148.07579	13.2
149.05869	0.5
150.05501	1.1
150.09137	7.6
152.07065	14.0
158.06001	0.5
160.03944	1.4
160.07590	1.0
162.05571	2.6
162.06714	0.6
162.09138	0.4
164.07069	5.5
166.08646	42.1
167.09113	0.5
168.10098	0.4
172.03940	21.7
173.04413	0.5
174.05495	2.2
174.09186	1.9
176.07089	1.7
178.08630	0.5
180.10207	0.7
181.08852	0.4
182.08147	1.6
190.04996	16.0
192.06583	1.1
194.08113	1.0
197.08556	0.4
197.10756	1.5
198.11574	1.4
199.12320	1.1
204.06567	33.2
205.06747	0.5
208.09888	0.5
209.10872	1.0
210.11430	3.0
211.08739	0.5
211.12292	4.8
212.09210	0.6
212.13062	1.0
213.10146	0.7
213.13919	0.6
214.08739	0.7
218.08109	2.5
220.09888	0.5
221.10767	0.8
222.11455	0.9
223.08707	0.9
223.12300	3.3
224.09421	1.0
224.13103	0.8
225.10262	5.0
225.13889	1.3
226.08693	1.3
226.11086	2.9
227.11804	4.5
228.14009	0.6
229.09776	0.8
229.13432	1.6
234.09146	0.5
235.08772	1.1
235.12354	1.3
236.09421	1.2
236.13141	0.7
237.10257	6.2
237.13861	1.0
238.10936	4.8
239.11783	9.1
240.12538	0.8
241.09712	0.9
241.13420	1.5
243.11398	1.4
244.09679	0.8
244.13451	1.2
245.12866	1.1
246.07686	1.6
248.09541	1.3
249.10262	5.8
250.08592	0.8
250.10896	5.2
251.08241	1.4
251.11816	12.6
252.09073	1.7
252.12425	3.4
253.09737	1.6
253.13345	5.0
254.10454	0.5
255.11238	3.7
256.11935	2.5
257.10507	0.5
257.12878	2.0
259.14453	0.8
261.10263	1.1
262.11008	1.9
263.08261	0.9
263.11801	15.2
264.09076	1.7
264.12543	4.2
265.09802	6.9
265.13416	9.2
265.16022	0.7
266.10556	4.4
266.14041	1.1
267.11288	15.9
268.12024	1.8
269.12863	5.4
271.10883	1.8
271.14487	4.3
272.12817	5.2
273.12381	2.4
275.11877	1.3
276.12628	0.6
277.09808	3.3
277.13431	1.0
278.10547	3.8
279.08090	1.1
279.11282	22.2
280.12021	5.1
281.12857	10.1
282.10233	0.8
282.13583	1.6
283.10846	4.5
283.14166	0.9
284.08557	0.6
284.11588	8.9
285.12338	29.9
286.13022	1.1
287.13950	3.1
289.15506	3.9
291.11276	16.0
292.12006	4.2
293.09378	2.2
293.12793	13.2
294.10095	0.9
294.13394	1.6
295.10861	4.1
295.14474	1.8
296.11542	5.0
297.12347	36.7
298.13104	2.6
299.13922	5.9
301.15543	0.5
304.08377	0.7
305.13199	0.7
307.10742	4.4
307.14056	0.7
308.11420	0.8
309.12332	20.7
310.13226	3.3
311.10339	5.6
311.13959	5.3
312.11066	1.4
312.14508	0.5
313.11728	1.9
313.15289	0.5
315.13760	0.7
316.08081	0.5
316.14478	0.7
319.10794	10.1
320.11377	0.8
321.12338	10.1
322.13132	0.8
323.10315	10.1
323.13879	1.4
324.10999	1.5
325.11835	24.2
326.12595	1.7
327.13416	10.9
328.14243	1.2
330.16281	0.8
331.17053	0.7
334.09186	0.8
335.14227	0.4
337.11823	60.8
338.12396	4.3
339.13388	8.4
340.14362	0.8
341.11475	2.5
341.15100	1.6
342.16174	0.6
343.13062	2.6
344.13983	0.9
344.17670	0.9
345.14728	0.6
346.19150	0.8
351.13464	2.0
353.15244	0.5
355.12830	2.7
356.13940	0.9
357.14493	11.9
358.15372	1.3
359.16199	1.7
362.18658	0.7
368.14209	0.6
369.14484	12.5
369.19101	0.7
370.15430	1.7
371.16223	4.3
372.13019	0.4
372.16885	2.0
373.13739	0.6
373.17908	0.7
374.18723	1.4
376.20477	0.8
378.22113	0.5
379.16595	4.0
382.15244	1.0
383.16406	0.6
384.17111	1.2
385.13828	0.8
385.17990	0.5
386.14566	0.7
386.18860	1.3
387.15875	0.7
388.16489	1.2
389.14951	0.6
390.15341	0.6
390.18350	1.3
391.16519	2.3
392.20230	1.9
392.84546	0.4
396.17599	0.5
399.15680	1.9
400.16345	2.9
401.17355	1.5
401.40775	0.6
402.18185	2.1
403.16806	1.5
404.19971	3.1
406.17618	2.0
411.15247	0.4
412.16708	2.3
414.18338	1.9
415.17847	0.6
416.19812	1.8
417.20343	0.8
418.17139	2.3
418.22498	0.6
419.17154	0.6
420.19247	1.4
421.19913	1.1
422.20782	2.8
424.16837	0.8
428.19742	1.3
429.15356	0.5
430.17542	6.1
431.17862	1.3
432.19241	6.6
433.19748	0.6
434.17712	2.7
436.18637	2.1
442.17697	3.8
443.18027	0.9
444.19009	3.2
445.19635	1.4
446.20892	5.1
448.18604	11.3
449.19470	14.6
450.20261	14.5
451.20319	0.6
454.17722	0.6
456.19333	0.7
460.18692	13.7
461.19324	3.4
462.20401	4.7
463.20300	1.3
464.22104	0.7
469.16367	1.0
470.16370	0.6
471.17627	0.7
472.18661	4.8
473.19034	0.4
474.20407	4.2
476.18149	3.5
477.19354	1.1
478.19708	3.0
480.21555	3.1
481.16245	1.3
487.17197	5.5
488.18143	0.7
489.18573	0.9
490.19788	17.5
491.20450	3.5
492.21326	12.1
493.21570	0.8
499.17349	0.7
505.18417	1.0
508.21152	0.5
519.20001	1.4
520.20490	0.6
522.22388	5.2
540.22595	0.9
553.21594	0.8
554.22998	2.5
555.23578	1.4
556.24542	0.7
565.21881	1.5
566.24329	1.5
567.25885	0.8
568.24988	0.6
571.25574	0.6
577.23138	0.5
580.23596	0.9
583.23169	0.5
584.24792	0.8
585.27368	0.6
586.25409	0.8
593.21222	1.5
594.24683	3.5
595.25525	3.4
596.23944	0.9
601.43848	0.5
604.23065	0.5
607.23657	0.5
608.25964	1.6
611.24976	1.7
612.25470	1.7
613.26587	67.2
614.26953	4.0
622.24036	0.5
624.24884	0.6
625.24854	0.8
626.25269	0.9
628.26343	1.2
634.23950	1.5
636.25458	2.3
645.29199	42.7
646.29504	2.5
652.25067	14.7
653.25745	3.0
654.26892	1.3
684.27612	15.3
685.28357	1.8
716.28040	5.8
717.28760	1.3
718.29749	1.1
719.30780	12.2
720.30212	1.0
728.28424	1.4
731.32397	0.8
739.30164	2.7
742.29102	1.4
746.30292	0.5
748.30780	4.5
751.33295	2.8
757.30585	4.3
758.29407	5.8
759.28900	1.0
760.30408	1.7
775.31842	89.9
776.32184	5.6
778.28021	2.2
784.32300	0.5
788.30048	1.7
789.30548	4.2
790.31226	8.7
791.32318	1.1
796.29517	2.7
807.34497	56.6
808.34656	3.9
814.30231	3.6
815.30676	0.6
846.32031	0.7
853.35809	2.1
863.34692	1.1
881.35986	20.5
882.36243	1.4
892.34595	0.6
901.35535	2.4
908.34814	1.0
913.38580	9.0
914.38989	0.6
919.35883	1.6
920.34528	9.4
921.34894	2.6
922.35419	1.1
937.37036	5.5
951.36182	0.5
952.37207	5.5
953.37299	1.5
969.39209	0.8
1015.40997	1.7
1043.41370	17.4
1043.63245	0.8
1044.41235	1.5
1075.43945	6.3
1181.46936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1184.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01320	0.0
85.02905	3.1
85.06544	6.6
86.06065	0.6
86.06885	0.1
87.04459	0.1
89.03899	0.0
91.03953	0.1
91.05493	0.3
93.41102	0.1
95.04970	2.2
95.08599	0.1
97.02890	2.5
98.09698	0.1
98.21404	0.1
99.04443	0.4
99.08133	0.1
101.02355	0.1
103.03958	0.1
105.04517	1.2
105.07053	0.1
107.04955	100.0
108.05273	1.2
109.02879	1.1
109.06523	0.2
111.08057	0.1
113.02351	0.1
113.06046	0.0
115.03915	0.1
116.10764	0.2
117.07025	0.1
119.04922	0.2
119.08615	0.1
121.02856	0.1
121.06475	0.1
123.04433	0.1
125.02360	0.1
127.03918	2.9
127.07515	0.5
131.04942	0.1
131.08582	0.1
133.06497	0.2
134.09634	0.1
137.05978	0.3
141.06908	0.1
143.03357	0.1
143.10617	0.1
145.04971	2.0
145.08598	12.5
146.08949	0.1
147.04411	0.1
147.08049	0.1
149.05930	0.3
152.10629	0.1
153.05603	0.1
155.07022	0.1
159.08026	0.1
161.05984	0.5
163.06079	0.2
169.06384	0.1
170.11745	0.2
173.05951	0.3
173.08150	0.2
175.14873	0.1
180.10214	0.1
185.05995	0.1
187.05978	0.1
187.07593	0.2
187.09648	0.2
191.09148	5.1
192.09612	0.1
197.04297	0.0
197.06017	0.2
198.11261	2.5
199.09703	0.2
199.11310	0.1
203.07057	0.1
209.15428	0.1
213.09106	2.2
214.17921	0.1
215.07069	0.5
216.12250	0.2
229.10701	0.1
233.08090	0.7
233.10202	0.2
245.10138	0.1
251.09128	0.5
253.07004	0.1
253.10789	0.1
261.13635	0.0
263.11304	0.1
269.10297	0.1
271.08475	0.1
271.11758	0.7
275.11234	0.3
280.68594	0.0
281.10233	0.1
289.12781	0.4
296.18625	0.1
297.13263	0.1
299.11261	1.3
307.13898	0.2
315.10831	0.1
317.12299	1.7
324.10950	0.1
324.14291	0.3
325.11282	0.2
328.13919	0.0
333.11523	0.0
335.13376	8.8
336.13751	0.1
342.15387	0.2
359.14682	0.1
360.16504	1.5
377.15970	0.1
395.17117	0.1
402.24323	0.0
405.15359	0.2
422.21545	0.1
423.16672	0.5
433.16693	0.1
440.23169	0.1
441.17609	2.4
443.15329	0.1
451.17810	0.1
458.23926	0.9
461.16522	0.2
466.20694	0.7
475.09381	0.0
479.17630	1.2
480.17496	0.1
497.18732	0.9
498.19095	0.0
507.20660	0.1
522.21973	0.4
564.27582	0.1
584.26538	0.1
620.29156	0.6
628.25629	0.1
702.25934	0.1
726.32635	0.1
818.34167	0.1
916.39996	0.1
952.28998	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.05501	3.0
56.96554	7.5
65.03950	4.5
67.05512	12.3
69.03438	3.3
70.70539	6.7
77.93424	3.1
80.02958	4.7
80.06290	3.2
81.07059	2.2
82.01472	3.5
82.99845	5.3
85.01402	6.8
91.05485	45.4
93.07057	5.1
94.04533	4.1
95.04965	2.2
98.04717	2.4
98.21432	2.3
100.02467	7.3
101.00887	44.7
101.02554	2.7
103.02460	11.9
104.02490	2.5
107.05247	8.9
116.05785	8.0
118.01161	3.0
119.01933	100.0
119.08604	6.2
121.03484	5.0
129.04025	4.6
137.02977	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03948	3.7
57.07074	0.6
65.03952	4.6
69.42151	3.4
69.42560	1.4
73.09129	0.6
73.64629	0.6
77.03928	1.3
78.04714	1.5
79.05505	8.0
79.83084	0.5
84.55424	0.5
91.05486	100.0
92.05827	1.6
93.07043	6.1
95.04961	2.5
96.25628	0.6
98.20789	1.3
102.04677	0.7
103.05469	14.1
104.06254	12.2
105.04523	1.6
109.06548	0.8
115.05466	4.7
117.07024	24.1
119.04945	2.6
119.06087	1.7
119.08587	93.4
120.08101	3.7
120.08915	1.4
121.86464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03951	4.4
54.04274	0.8
54.17085	0.5
65.03942	4.8
69.18804	4.6
77.03941	0.8
78.04704	0.8
79.05495	8.2
84.67449	0.5
91.05483	100.0
92.05820	1.3
93.07053	5.9
95.04956	2.4
96.05302	1.1
98.21542	1.1
103.05469	14.4
104.05625	1.0
104.06258	11.6
105.04522	2.1
106.04872	0.7
109.06496	0.9
115.05458	5.4
117.07021	33.3
119.04923	0.9
119.06115	1.3
119.08584	83.1
120.08092	0.8
120.08933	1.4
121.06451	0.9
131.06078	0.8
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02369	0.8
51.78371	0.6
53.03943	1.9
54.04291	0.9
57.71845	0.7
60.42487	0.7
65.03951	4.9
65.40366	0.6
69.42741	5.1
76.44374	0.6
77.03929	1.2
78.04688	1.2
79.05500	6.0
91.05486	100.0
92.01455	0.7
92.05828	1.3
93.07041	6.3
95.04963	3.1
97.59599	0.8
103.05470	15.3
104.06254	12.0
105.04517	1.8
109.06560	1.7
115.05476	5.4
117.07024	40.1
119.04950	5.1
119.06149	1.2
119.08585	80.0
120.08090	1.8
120.08900	1.1
121.29445	0.7
129.23024	0.8
131.06061	1.4
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
53.03960	3.4
54.96670	0.7
65.03943	3.8
69.76209	4.0
77.03917	1.0
78.04728	1.3
79.05493	7.5
81.03409	0.7
86.98531	0.7
91.05485	100.0
92.05827	1.2
93.07046	6.4
95.04971	3.0
96.45817	0.7
101.91263	0.7
103.05466	16.6
104.06250	13.3
105.04527	2.3
108.18709	0.7
115.05464	6.9
117.07024	29.8
119.08583	98.8
119.46680	0.7
120.08913	1.6
121.06482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.65402	0.4
51.02383	0.5
53.03948	3.8
54.04288	0.8
65.03946	4.7
66.94345	0.3
67.05505	0.8
69.59821	2.5
77.03931	0.9
78.04727	1.5
79.05499	7.3
88.03909	0.4
91.05486	100.0
92.05819	1.1
93.07051	5.7
95.04971	2.6
96.05310	1.0
98.20802	0.3
102.04670	0.4
103.05473	14.3
104.06256	12.5
105.04540	1.4
109.06537	0.6
115.05463	6.7
115.81039	0.4
117.07024	32.4
119.04963	1.2
119.06095	1.3
119.08587	83.4
120.08118	0.8
120.08947	1.0
121.06504	0.5
131.06099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.4
50.22027	0.4
51.00176	0.4
51.11557	0.4
53.03952	3.8
55.01891	0.6
65.03942	7.2
67.05497	0.6
70.06205	0.4
71.48496	0.6
77.03927	0.7
78.04285	0.5
78.04695	1.1
79.05496	7.0
87.66634	0.4
91.05482	100.0
92.05811	1.0
93.07050	7.0
95.04968	2.9
96.05285	1.2
102.04678	0.6
103.05470	11.3
104.06253	10.4
105.04517	1.0
109.06525	0.8
115.05453	6.2
115.25216	0.5
117.07019	30.1
119.04954	5.8
119.06065	1.2
119.06839	1.7
119.08581	71.1
120.08131	1.2
120.08920	0.8
120.53157	0.4
121.06516	0.5
131.06087	0.8
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	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03940	3.5
54.04285	0.9
65.03941	7.7
69.65717	1.8
69.66144	0.8
77.03944	0.7
78.04708	0.6
79.05499	4.5
80.47807	0.6
91.05483	100.0
92.05828	0.6
93.07050	5.3
95.04971	2.4
96.05289	1.1
102.04639	0.4
103.05472	10.0
104.06259	8.5
105.04494	1.4
106.04848	0.6
109.06517	2.1
115.05453	5.5
117.07020	28.8
118.07334	1.0
119.04958	8.2
119.06052	3.4
119.06852	2.5
119.08583	59.5
120.04456	0.6
120.08904	0.9
138.34288	0.6
139.76588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.03952	3.9
58.31963	0.5
65.03927	1.4
65.60873	0.5
69.94868	1.9
73.16932	0.5
77.03941	1.8
79.05494	1.4
91.05482	10.9
92.05014	1.3
92.05817	1.5
93.07047	17.4
94.06575	1.3
95.04990	2.6
102.04687	0.7
103.05472	90.9
104.05801	1.0
105.04527	2.2
105.07030	1.4
118.06576	2.1
119.07328	1.1
120.08112	100.0
121.06536	1.3
121.08454	0.9
121.10126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02380	3.4
52.02868	0.6
53.03951	34.7
55.01873	4.6
55.05503	0.9
65.03946	9.8
65.81235	0.9
67.05498	2.0
71.48440	0.9
77.03931	9.3
78.04681	0.9
79.05497	21.9
81.03431	3.9
81.07066	1.4
91.05484	83.3
92.05824	1.2
93.07047	82.6
94.04218	1.3
94.07377	1.0
95.04974	30.2
102.04691	1.8
103.05471	93.9
104.05812	3.1
105.03876	0.4
105.04521	18.3
105.07035	40.8
106.07809	2.5
111.04446	3.0
119.08589	6.1
121.02885	5.5
121.04109	3.5
121.06511	100.0
121.08405	2.4
121.10145	20.9
121.11036	0.9
122.06029	0.8
122.06825	1.5
123.08096	2.7
125.66938	0.7
130.19524	0.7
133.07620	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01581	0.6
51.02385	3.3
53.03950	30.0
55.01875	3.6
55.05511	1.7
65.03944	5.6
67.05505	1.7
70.60796	1.8
77.03930	7.9
78.04704	1.2
79.05159	0.7
79.05493	21.5
81.03424	3.5
91.05485	82.0
92.05828	2.1
93.07047	76.6
94.04224	0.6
94.15249	0.6
95.04974	28.9
102.04696	1.9
103.05471	100.0
104.05814	2.2
105.04523	19.3
105.07034	43.0
106.07806	2.3
107.04908	0.7
110.48182	0.5
111.04440	1.5
119.08584	6.5
121.02904	5.6
121.03992	2.4
121.06511	98.0
121.08363	1.9
121.10149	22.5
121.11044	0.9
122.06017	0.7
122.06866	1.9
123.08061	3.7
124.95509	0.5
133.07608	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.53395	0.6
51.02383	0.7
52.73212	0.6
52.98228	0.7
53.03949	10.9
55.05517	10.8
65.03941	3.3
67.05508	47.7
70.29243	0.8
77.03928	2.5
79.05495	98.1
80.05843	1.3
80.06272	0.8
81.03432	1.5
81.07057	1.4
81.83646	0.7
82.95367	0.6
91.05482	24.9
93.07046	100.0
94.07382	1.3
95.04970	8.6
98.21494	2.3
98.98022	0.7
103.05471	7.3
105.04520	6.0
105.07031	22.6
106.07839	1.5
119.08559	3.4
121.02896	2.2
121.04000	1.4
121.06503	7.1
121.10146	41.6
123.08030	1.3
133.07617	1.4
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	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.3
53.03710	1.1
53.03948	12.9
55.01867	2.1
55.05511	10.3
57.98249	0.9
58.16795	0.9
65.03938	6.2
67.05505	40.6
69.37019	6.5
77.03932	2.9
79.05494	88.1
80.05830	1.1
80.06287	1.2
81.03408	0.9
81.07079	1.5
91.05486	28.9
93.07047	100.0
94.07380	1.4
95.04988	11.7
103.05472	13.7
105.04508	7.1
105.07029	26.1
106.07862	1.0
119.08588	3.4
121.02861	4.6
121.03982	2.8
121.06505	13.6
121.10145	37.6
122.09667	1.9
123.08069	1.8
123.28075	0.8
133.07643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
52.19737	0.9
53.03717	0.9
53.03950	12.7
55.01872	1.2
55.05513	10.6
65.03937	7.0
67.05506	41.2
69.69061	4.4
69.69472	1.6
77.03926	2.1
79.05495	87.7
80.05844	1.8
80.06261	1.0
81.03415	1.2
81.07054	2.0
91.05486	29.1
93.03428	1.0
93.07047	100.0
94.07343	1.5
95.04964	12.2
103.05473	12.2
105.04519	7.6
105.07030	25.6
106.07827	2.6
111.04418	1.3
111.05608	0.9
111.06801	0.9
114.08655	1.1
116.80791	0.9
119.08577	5.1
121.02863	5.9
121.03967	3.1
121.06510	11.2
121.10149	37.8
122.06011	1.9
122.09681	2.4
123.08092	1.9
133.07632	3.2
138.26590	1.0
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	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	17.9
53.14394	1.1
55.05521	7.5
65.03935	3.6
67.05503	2.7
69.65973	5.8
75.78065	1.0
77.03928	5.1
79.05500	65.8
80.06290	1.5
81.07058	4.6
91.05489	52.2
93.07050	98.2
95.04981	13.8
96.84269	1.1
103.05479	23.3
105.04528	9.3
105.07040	100.0
106.07876	7.1
117.07045	1.1
119.08586	16.0
121.02870	2.8
121.04034	1.3
121.06532	10.1
121.10152	65.0
123.08075	8.6
133.07602	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03720	1.1
53.03949	14.9
54.08135	1.0
55.05511	2.6
65.03941	3.4
67.05501	2.6
71.07041	1.5
71.07397	2.3
77.03912	2.9
79.05493	46.3
80.05795	1.0
81.07062	2.1
91.05485	32.5
91.42615	1.2
93.07045	43.1
93.07634	2.2
94.06632	1.5
94.07304	1.4
95.04974	10.0
99.71692	1.2
103.05461	24.0
104.05795	2.7
105.04527	7.0
105.07033	100.0
106.07838	8.8
119.08579	15.9
121.02872	4.5
121.03970	1.8
121.06538	11.4
121.08420	3.1
121.10146	55.1
123.08086	8.4
133.07619	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03946	18.2
55.01872	1.6
55.05503	4.0
65.03938	7.1
67.05500	1.7
69.08401	0.8
70.92990	2.2
72.39591	0.9
77.03934	4.6
78.04709	0.9
79.05494	56.5
81.03399	2.1
81.07047	3.1
91.05480	46.2
92.05832	1.7
93.07043	66.2
94.07359	2.2
95.04966	13.9
103.05470	24.8
104.05813	5.3
105.04511	7.3
105.07030	100.0
106.04202	1.0
106.07841	11.3
111.04474	1.0
119.08583	15.5
121.02855	4.5
121.03984	1.5
121.05680	1.2
121.06520	15.0
121.08444	8.1
121.10143	66.9
123.08057	7.7
133.07603	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02383	0.8
53.03948	8.5
55.01880	1.2
55.05518	1.2
56.21648	0.4
65.03947	3.8
67.05501	0.8
71.48251	0.5
77.03930	2.6
78.04702	0.4
79.05497	37.2
80.05825	0.4
81.03416	1.3
81.07063	0.8
81.15079	0.3
84.89539	0.3
85.31878	0.3
89.67505	0.3
91.05486	18.7
92.05823	0.5
93.07048	19.7
93.61031	0.3
94.04217	0.4
94.06583	0.4
95.04973	7.4
103.05473	22.8
105.04543	4.7
105.07034	100.0
106.07865	6.3
107.04967	7.4
111.04449	1.3
119.08586	12.8
119.26554	0.4
120.05730	1.2
121.02902	3.4
121.04019	1.9
121.06516	14.1
121.10147	52.8
122.06020	0.5
122.07306	2.0
122.10500	0.8
123.08066	8.3
133.07614	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03945	11.6
55.01865	1.2
55.05519	1.7
65.03947	4.4
67.05492	2.4
70.31654	3.5
77.03922	3.6
77.49782	0.8
79.05495	40.6
80.06246	0.9
81.03413	1.5
81.07044	1.6
91.05483	25.8
93.07043	27.5
95.04968	11.0
103.05474	24.0
105.04543	5.7
105.07034	100.0
106.07858	6.8
107.04958	5.5
111.04454	1.0
119.08583	14.2
121.02861	3.6
121.04027	1.8
121.05665	1.7
121.06508	21.7
121.10146	46.1
122.07316	0.9
123.08083	7.1
130.23587	0.8
133.07611	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02383	1.3
53.03949	9.9
55.05502	3.1
63.88920	0.8
65.03924	2.8
65.45396	0.8
67.05492	2.5
69.22536	2.3
69.22935	5.8
77.03916	3.5
79.05494	43.4
81.03426	1.3
81.07049	1.7
91.05482	27.0
93.07045	37.0
95.04971	9.0
103.05471	22.6
104.05767	1.4
105.04531	6.4
105.07034	100.0
105.77012	0.8
106.07835	7.0
119.08595	11.8
121.02861	2.6
121.04002	0.9
121.06521	12.4
121.10145	49.7
123.08076	6.9
133.07642	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	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01600	0.8
50.51059	0.4
51.02383	4.9
53.03950	12.2
55.01873	1.3
55.05493	0.3
63.53121	0.3
65.03935	1.3
67.05505	8.0
69.87482	0.7
69.87875	0.8
77.03933	15.4
79.05486	0.8
80.05012	1.2
81.03431	1.0
81.07077	2.1
95.04971	44.6
95.08648	0.4
96.04502	0.4
96.05289	0.5
100.02545	0.3
105.03406	12.5
105.04494	6.3
114.30307	0.4
117.79475	0.4
123.04434	100.0
123.08070	1.1
123.11729	0.5
124.03972	0.5
124.04802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01597	0.9
51.02380	4.8
53.03951	11.7
53.93740	0.4
55.01863	1.5
55.05503	1.7
55.25579	0.3
57.07093	0.7
65.03938	1.5
67.05507	12.7
69.24793	3.5
77.03933	14.6
79.05494	3.3
80.05030	2.3
81.03412	1.2
81.07057	17.1
84.29658	0.4
93.07037	1.0
95.04971	45.6
95.08607	4.3
96.04487	0.8
96.05294	0.6
100.02479	0.8
105.03401	14.7
105.04489	5.6
105.07012	1.0
108.05743	1.3
123.04433	100.0
123.05470	3.9
123.08062	13.0
123.11691	2.9
124.03967	0.8
124.04803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01592	0.9
51.02154	0.3
51.02387	5.1
53.03951	8.8
55.01861	1.4
56.96562	0.7
57.86715	0.3
63.25997	0.3
65.03934	1.2
67.05506	8.3
70.09726	1.0
73.00426	0.3
77.03932	13.8
78.11656	0.3
79.05482	0.6
80.05018	3.8
81.03411	0.8
81.07070	0.8
82.01448	0.6
86.99959	0.3
95.04971	25.2
95.08634	0.4
96.04484	0.9
98.20907	0.3
100.02486	1.1
101.00893	0.7
105.03399	13.0
105.04487	4.3
106.02897	0.4
112.70654	0.3
119.01904	1.2
123.04437	100.0
123.05505	6.8
124.03949	1.2
124.04772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03939	1.1
55.01865	0.8
56.11635	0.3
57.03432	1.0
58.99836	0.3
61.02905	0.5
66.92233	0.3
69.03416	0.7
70.00159	1.5
70.99846	0.7
71.77074	0.4
73.02909	0.4
78.03456	14.0
80.05019	41.9
81.01892	0.8
81.03401	0.4
82.01450	4.7
82.99828	0.6
85.02874	0.4
85.58980	0.3
88.83988	0.4
89.00842	0.4
89.67625	0.3
90.02448	0.4
93.01906	0.4
95.04974	2.0
96.04494	10.7
97.02901	0.5
100.02483	7.9
101.00883	4.6
105.04488	0.7
106.02917	22.5
115.02502	0.4
118.01161	0.4
118.03536	1.4
119.01928	5.1
123.05555	100.0
124.03950	7.4
124.05893	1.3
128.84471	0.4
131.01897	0.4
137.02962	0.7
142.03502	0.8
143.01955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01596	1.2
51.02391	3.1
53.03947	16.3
53.04208	0.8
55.01868	3.4
55.05513	8.6
57.07065	3.4
65.03944	3.4
67.05508	43.4
68.05846	0.7
69.03442	2.1
69.07077	2.0
71.47767	0.7
77.03936	9.3
78.03461	1.7
79.05493	15.4
80.04574	0.9
80.05019	13.4
80.06270	0.7
81.03410	2.7
81.07057	69.7
82.01443	1.0
82.07362	0.8
91.05484	1.5
93.07043	6.6
94.04208	0.7
94.07822	0.6
95.04971	100.0
95.08608	25.3
96.04501	6.5
96.05302	0.7
98.71652	0.5
100.02501	3.4
103.05468	1.0
105.03409	6.7
105.04519	9.0
105.07029	5.9
106.02937	0.7
107.04968	1.2
108.05740	6.5
108.09387	0.7
112.03973	1.2
118.03532	1.8
121.06491	0.9
121.10170	0.8
123.04436	71.0
123.05544	27.6
123.08068	98.6
123.11703	13.4
124.03951	6.6
124.04762	1.1
124.07611	1.0
124.08456	1.4
125.78673	0.5
139.80711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01589	1.4
50.91868	0.8
51.02375	3.3
53.03952	16.6
55.01858	2.9
55.05514	21.6
55.69033	0.7
57.07079	4.6
65.03951	4.4
67.02627	0.9
67.05506	96.1
68.05827	1.2
69.03415	1.4
69.07058	2.7
69.26357	0.9
70.87084	0.7
70.96853	2.1
77.03933	14.6
78.03463	1.0
79.05492	22.0
80.05027	8.8
80.06274	2.2
81.03424	4.5
81.07058	94.4
82.07378	1.3
85.90962	0.8
91.05489	4.1
91.58096	0.7
93.07050	18.2
95.04971	73.4
95.08610	94.9
96.04498	2.6
96.05204	0.7
100.02540	1.0
103.05499	1.6
104.49241	0.8
105.03400	11.5
105.04514	8.9
105.07037	9.0
107.04958	4.2
108.05740	18.3
108.09331	0.9
112.03957	1.2
121.06499	2.3
123.04436	100.0
123.05537	20.7
123.08070	67.5
123.10831	1.7
123.11707	21.3
123.12607	1.8
124.03943	4.9
124.04763	1.5
124.07632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01588	0.5
51.02374	1.2
53.03947	13.4
55.01867	1.6
55.05511	10.1
57.07078	1.8
60.93288	0.3
65.03932	2.6
67.05505	40.1
68.05839	0.4
69.07070	0.9
70.39371	1.3
74.17815	0.3
77.03935	4.2
79.05070	0.6
79.05494	8.4
80.05023	3.3
80.06286	0.9
81.03428	3.7
81.07056	33.0
82.07415	0.5
91.05482	2.6
93.07050	7.4
94.07751	0.4
95.04967	100.0
95.08605	27.8
95.09067	0.4
96.04508	1.1
96.05297	1.0
96.08929	0.5
96.27058	0.4
100.02478	0.6
105.03370	1.3
105.04517	5.2
105.07025	1.9
107.04965	1.1
108.05738	3.0
123.04425	22.7
123.05533	6.8
123.08067	48.2
123.11693	6.6
124.03963	1.5
124.08403	0.9
130.88680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01601	0.5
51.02376	2.3
53.03950	16.8
53.04204	0.8
55.01871	1.5
55.05514	4.8
57.07084	2.1
65.03947	1.8
67.05508	19.5
68.05070	0.5
68.05818	0.5
69.07074	1.2
69.26873	1.1
69.27273	3.5
69.66783	0.5
77.03936	4.7
79.05502	7.3
80.05019	4.7
81.03427	2.6
81.07059	38.2
91.05483	0.9
93.07048	3.2
95.04971	100.0
95.08607	14.2
96.04482	1.6
96.05312	1.4
100.02457	0.7
105.03377	1.6
105.04509	8.4
105.07037	1.6
108.05740	3.6
108.27497	0.5
112.03909	0.5
119.80730	0.5
121.10143	0.6
123.04438	29.7
123.05546	10.2
123.06387	0.8
123.08072	22.6
123.11711	7.4
124.03948	1.6
124.07560	0.8
134.91112	0.5
135.06795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02381	2.1
53.03948	12.9
55.01870	2.1
55.05512	9.1
56.58376	0.5
57.07067	4.6
65.03942	3.5
67.05508	40.5
69.03425	1.8
69.07057	3.2
69.19564	5.2
73.56340	0.6
77.03927	7.4
78.03469	2.3
79.05493	19.6
80.05019	13.2
80.06284	0.7
81.03416	2.4
81.07057	100.0
82.01453	2.1
82.07377	1.4
91.05483	1.5
93.07054	6.1
94.07825	0.7
95.04971	93.4
95.08610	27.9
96.04507	5.0
96.05326	1.3
96.08115	0.9
100.02489	3.9
103.05461	1.4
105.03419	5.4
105.04513	8.1
105.07024	6.0
106.02919	1.1
106.06552	0.7
107.04951	1.2
108.05739	7.1
108.09386	1.1
112.03941	0.6
118.03524	1.1
121.10104	1.2
123.04434	51.8
123.05544	24.9
123.06369	4.6
123.08067	78.1
123.11703	22.0
123.12602	1.2
124.03958	5.9
124.04753	1.0
124.07594	0.9
124.08416	1.6
140.84059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01599	1.0
51.02372	4.0
53.03949	18.8
55.01872	2.0
55.05513	17.6
57.07075	4.8
61.28946	0.6
65.03944	4.4
67.05507	80.9
69.03427	1.3
69.07066	3.0
70.33405	2.5
71.17714	0.8
72.93092	0.6
77.03934	10.3
77.11579	0.7
78.03469	1.0
79.05495	20.8
80.05018	8.1
80.06268	2.0
81.03430	6.7
81.07057	88.1
83.04996	0.7
91.05484	4.7
93.07050	15.3
94.07815	1.1
95.04971	100.0
95.08607	53.1
96.04501	3.0
96.05331	1.1
96.08949	0.8
100.02478	1.4
101.00923	0.7
105.03397	7.9
105.04511	7.2
105.07037	4.6
107.04951	2.1
108.05735	8.1
108.09422	0.9
121.10143	1.5
123.04432	76.2
123.05540	18.0
123.08068	85.5
123.11695	18.1
124.03988	4.7
124.04772	1.3
124.07610	0.7
124.08398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
51.02379	2.5
53.03712	1.0
53.03952	17.2
55.01874	2.2
55.05513	5.6
57.07074	3.9
60.23085	0.6
61.98733	0.5
65.03948	2.2
67.05507	28.4
68.05014	0.8
68.05807	0.6
69.07066	2.4
70.18130	2.3
77.03934	6.6
78.03447	1.3
79.05495	16.5
80.05020	15.6
80.06294	0.7
81.03426	2.7
81.07057	70.7
81.84019	0.5
82.01456	1.7
82.07388	0.6
93.07060	3.6
94.06625	0.6
95.01337	0.9
95.04972	100.0
95.08606	21.2
96.04494	6.5
96.05334	1.4
96.08170	1.3
100.02478	3.7
103.05464	0.5
105.03429	3.7
105.04514	9.3
105.07043	3.5
106.02888	0.9
106.06548	0.9
107.04968	1.3
108.05740	8.2
112.03983	0.8
118.03517	0.9
121.10066	0.8
123.04433	41.5
123.05544	31.6
123.08072	31.0
123.11703	17.7
124.03957	7.3
124.07587	2.3
124.08406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03724	1.0
53.03952	16.0
55.01869	2.1
55.05516	8.4
57.07067	5.5
65.03933	2.3
67.05509	28.2
69.07055	3.1
71.47996	1.4
77.03931	7.5
78.03445	1.7
79.05498	20.2
80.05022	12.5
81.03413	1.6
81.07062	100.0
82.01495	1.1
82.07399	1.2
93.07047	4.4
95.04974	71.0
95.08608	22.6
96.04488	7.2
96.05222	1.0
100.02467	3.9
105.03392	7.0
105.04501	7.0
105.07041	2.7
108.05734	4.2
108.09411	1.5
112.03967	1.5
121.10111	1.4
123.04429	60.5
123.05540	27.2
123.08080	28.7
123.10833	1.9
123.11705	23.5
124.03992	6.2
124.07583	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.4
53.03951	10.6
55.01872	1.6
55.05510	5.7
57.07076	3.3
62.04033	0.5
62.75320	0.6
64.98289	0.4
65.03936	2.2
67.05508	21.8
69.07081	2.4
69.59969	2.6
69.60383	0.7
75.64110	0.5
77.03932	7.9
78.03457	1.1
78.27074	0.5
79.05492	17.2
80.05020	6.2
80.05776	0.6
81.03427	1.0
81.07058	100.0
81.67351	0.5
82.01450	0.9
82.07405	1.1
86.86932	0.5
91.05444	0.6
93.07057	2.3
95.04972	50.2
95.07993	0.7
95.08606	13.9
96.04491	2.4
96.05328	1.0
100.02498	1.7
102.77689	0.5
105.03402	7.3
105.04485	4.6
105.07040	1.2
107.04932	0.6
108.05717	2.9
112.03993	0.7
113.36215	0.5
118.57731	0.5
121.06528	0.8
121.10141	0.9
123.04446	52.7
123.05549	13.5
123.08061	13.8
123.11707	16.2
124.03951	3.5
124.04746	0.6
124.07610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89920	0.6
70.99847	0.4
82.00975	0.3
82.01453	0.8
82.99850	8.2
83.01126	0.3
83.01517	1.6
83.81066	0.2
84.01218	0.3
100.02483	1.1
101.00887	59.6
101.02551	2.0
102.00976	0.8
102.02238	0.3
103.26826	0.3
111.00436	0.6
119.01927	100.0
120.01968	1.7
121.02389	0.4
124.02460	0.8
137.02962	14.7
140.15413	0.3
142.03499	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11439	0.2
55.01867	0.3
56.96561	0.6
58.99871	1.5
60.50819	0.2
69.03412	0.2
70.99862	4.7
71.01120	0.5
77.00900	0.7
78.03452	0.4
79.96017	0.2
80.05041	1.3
81.03399	0.3
81.05348	0.5
82.01441	0.8
82.99849	9.5
83.01510	1.6
84.01192	0.6
85.19823	0.2
89.00916	1.3
89.02554	0.3
90.82031	0.2
96.04501	0.8
97.02867	0.3
97.04826	0.3
100.02489	1.6
101.00887	66.1
101.02548	3.0
102.00948	1.5
102.02238	1.0
103.00697	0.5
103.02345	0.3
107.03262	0.4
111.00427	0.9
112.02734	0.2
115.00575	0.4
118.03588	0.3
118.72247	0.2
119.01928	100.0
120.01980	2.0
120.03291	0.3
121.01622	0.5
121.02406	0.3
122.16164	0.2
124.02560	1.2
124.03963	6.9
124.05901	1.8
124.07628	0.3
130.27542	0.2
133.01642	0.4
133.03467	0.4
137.02965	14.1
138.03009	0.3
142.03516	4.7
144.03235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.1
57.03431	0.3
58.99849	0.3
69.47689	1.2
69.48104	0.4
69.63445	0.2
70.99850	1.0
74.18069	0.2
82.01446	0.6
82.99848	7.5
83.01523	1.1
89.00887	0.4
96.04503	0.3
97.05442	0.2
98.21518	0.3
100.02482	0.7
101.00887	58.8
101.02576	1.3
102.00955	1.2
102.02238	0.3
111.00434	0.9
118.03564	0.4
119.01926	100.0
120.01989	2.2
121.02384	0.4
124.02466	1.0
124.03955	1.0
137.02971	14.1
138.03032	0.3
142.03514	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03937	7.2
55.01868	13.1
55.05516	31.3
57.03428	8.8
64.71882	2.5
65.03941	31.8
67.05489	8.8
68.99780	4.0
69.03429	37.8
69.07059	7.9
69.69747	5.1
69.70148	12.5
71.01346	6.7
71.05001	2.4
79.05499	38.7
81.07063	29.5
83.04987	40.8
83.08598	4.9
84.50330	2.2
90.87054	2.3
91.05476	24.9
93.03391	15.5
95.08638	3.8
97.02897	69.3
97.05378	3.5
97.06542	19.9
97.10162	2.8
105.07040	12.7
107.04938	6.5
107.08594	47.8
108.04504	3.0
109.06512	6.8
110.03625	5.2
110.06036	3.3
111.04463	11.9
111.05156	2.2
111.72472	2.2
114.37468	2.5
119.06059	2.9
120.94419	2.3
125.02360	22.0
125.04306	4.6
125.05995	21.0
125.06827	3.4
125.09632	100.0
125.10581	5.3
126.05524	3.3
126.09187	3.2
141.55342	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	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05515	13.9
57.03452	1.9
67.05502	3.5
68.99799	25.6
69.03435	100.0
69.07067	4.1
69.78748	8.2
79.05503	16.8
81.07066	11.8
83.04996	10.4
91.05494	11.0
92.11217	1.8
95.08619	2.7
97.02903	10.4
97.06516	9.5
98.21486	3.2
105.07024	4.7
107.08590	22.6
109.06513	2.2
119.06101	1.7
120.40783	1.6
125.02382	2.8
125.04214	2.4
125.05991	4.3
125.08780	2.9
125.09643	41.6
137.80968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01868	3.2
55.05515	13.9
57.03452	1.9
67.05502	3.5
68.99799	25.6
69.03435	100.0
69.07067	4.1
69.78748	8.2
79.05503	16.8
81.07066	11.8
83.04996	10.4
91.05494	11.0
92.11217	1.8
95.08619	2.7
97.02903	10.4
97.06516	9.5
98.21486	3.2
105.07024	4.7
107.08590	22.6
109.06513	2.2
119.06101	1.7
120.40783	1.6
125.02382	2.8
125.04214	2.4
125.05991	4.3
125.08780	2.9
125.09643	41.6
137.80968	1.7
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	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01866	6.9
55.05514	20.4
57.03427	3.3
57.07054	2.4
58.23870	1.6
58.89986	1.5
65.03926	4.0
67.05508	3.9
69.03429	32.0
69.07070	6.7
71.01349	2.5
71.48022	1.4
71.48426	1.7
76.68172	1.5
79.05492	25.2
80.04986	1.8
81.03392	1.5
81.07059	14.7
83.04975	19.8
83.08604	1.7
91.05485	19.7
95.04954	2.9
95.08613	2.4
97.02893	40.8
97.06539	11.3
97.10157	2.4
97.94091	1.3
105.07037	7.3
107.08590	38.5
108.04469	1.4
109.06545	3.7
110.03660	1.5
110.07277	2.8
119.06058	2.7
125.02341	15.4
125.04225	1.6
125.05096	1.6
125.06019	6.8
125.09631	100.0
126.05508	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.03947	1.5
56.05038	1.7
57.07079	84.0
69.03433	18.6
69.07066	2.3
70.06580	3.1
70.87635	1.9
70.87950	1.6
72.08155	2.0
74.09724	53.2
84.04509	20.1
84.08151	33.1
91.05478	3.3
100.01911	1.2
101.89303	1.1
103.05476	24.3
112.07609	41.5
116.06220	1.8
129.06999	1.2
130.02145	1.5
130.05003	1.8
130.06529	20.0
130.07433	2.0
130.07773	1.4
130.08626	11.1
130.15927	100.0
131.04951	2.9
131.08578	3.0
131.16240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03952	5.3
55.01868	0.3
55.28273	0.3
56.96581	0.2
69.77884	0.9
69.78289	0.6
72.72761	0.2
77.03941	1.5
81.03392	0.5
84.04484	0.3
85.04801	0.4
85.08478	1.0
91.05495	4.8
95.04376	0.4
95.04974	4.8
102.04688	1.5
103.05473	100.0
104.05784	2.1
105.04512	3.1
115.05468	0.3
116.06245	1.4
129.07019	0.6
131.04941	14.5
131.05960	0.7
131.08556	3.3
132.05298	0.3
140.65854	0.2
144.08051	0.3
147.28419	0.2
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
51.02380	0.8
53.03951	6.0
55.01868	0.6
65.70246	0.3
68.49190	0.3
71.41908	0.4
73.56268	0.3
77.03930	1.9
85.08470	0.8
91.05486	3.2
95.04978	4.5
102.04690	1.5
102.37746	0.3
103.05473	100.0
104.05800	1.7
104.57040	0.2
105.04517	2.7
110.75909	0.2
115.05399	0.3
115.29863	0.3
116.06251	1.1
129.07021	0.4
131.04936	14.7
131.06905	1.6
131.08562	2.8
132.32704	0.2
144.08118	0.4
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
51.02367	0.8
53.03951	6.7
56.39808	0.7
65.03918	1.0
68.11209	0.8
69.40308	6.2
74.34747	0.7
77.03918	1.5
77.35115	0.7
79.72501	0.9
84.08140	1.2
85.04829	2.2
85.08463	4.2
86.09702	1.2
91.05486	99.3
92.05787	1.2
95.04977	4.8
95.05547	0.8
102.04689	1.1
103.05473	100.0
104.05806	2.4
105.04523	2.7
113.07988	0.9
115.05479	7.8
116.06252	24.0
128.06198	1.9
129.07010	14.9
131.04942	14.7
131.08572	75.5
132.08923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03945	2.3
58.85946	0.4
65.03939	1.1
71.29314	0.7
71.29636	0.5
85.08459	0.7
85.19788	0.5
91.05487	100.0
91.54678	0.4
92.05828	1.5
95.04955	0.6
103.05477	10.4
104.05018	0.8
105.04576	0.5
105.07030	0.6
106.30460	0.5
112.75403	0.5
115.05457	8.1
116.06248	25.4
128.06230	1.4
129.07019	14.0
130.07335	0.7
131.04916	1.3
131.08575	87.7
132.04472	2.7
132.08029	0.6
132.08922	1.5
133.06534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
51.02383	3.2
53.03949	15.5
55.01855	0.7
55.05505	0.6
62.94104	0.5
65.03914	0.8
65.96243	0.5
69.84030	2.4
69.84448	1.0
73.98832	0.5
77.03934	4.9
78.03439	1.6
78.04700	0.8
79.05489	0.8
81.03409	1.9
86.06073	0.8
86.09707	3.5
89.03909	0.8
91.05482	16.4
92.05820	7.6
94.52991	0.6
95.04971	15.1
96.04494	8.8
104.04994	59.0
104.05756	2.1
105.04539	9.0
105.05797	9.6
105.07017	9.7
106.02911	0.7
109.06506	0.9
116.05805	0.9
117.06544	1.8
118.06548	0.5
123.06843	1.0
127.48833	0.6
130.07367	2.3
132.04454	100.0
132.08044	2.2
132.08919	9.0
133.05182	4.3
133.10123	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02378	1.7
53.03954	18.6
55.01867	0.8
55.05524	0.6
61.05860	0.5
66.88134	0.6
69.18564	5.6
69.80080	0.5
77.03931	5.9
78.03445	1.6
80.17970	0.5
81.03419	1.3
83.98289	0.6
86.09720	1.4
89.03942	0.6
90.18581	0.6
91.05485	3.6
92.05815	1.0
95.04977	13.5
96.04502	7.7
98.20770	0.8
104.05003	44.0
104.05772	2.3
105.03396	0.8
105.04524	7.9
105.07021	3.5
132.04462	100.0
132.08942	1.5
133.04776	1.7
133.10123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96571	8.6
57.03441	1.5
58.06602	1.9
60.05636	1.3
60.95842	3.5
61.01143	1.7
61.02932	2.1
66.75632	1.2
67.46191	1.0
69.03414	2.0
69.07076	7.0
72.05635	2.6
73.02905	2.0
75.01069	1.1
84.08157	1.7
85.02872	2.4
86.06084	1.5
86.09712	100.0
87.02705	2.6
89.76195	1.2
90.05544	1.5
97.02860	1.9
98.97588	2.8
102.96865	3.1
111.05605	1.0
119.01887	1.5
131.01936	1.4
132.10231	6.2
132.11050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.74249	0.6
61.09921	0.7
66.53665	0.6
69.07078	1.5
70.07098	2.8
70.07496	0.9
73.82943	0.6
82.65520	0.7
86.09709	100.0
87.10033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0321
Annotation	THTC
Peak:m/z	Relative Intensity
51.02376	0.8
53.03953	6.8
54.18673	0.6
55.01872	5.2
55.05512	1.1
55.93167	0.6
56.05032	1.3
56.96568	7.0
57.03439	8.6
58.99300	0.8
58.99593	12.8
59.05003	1.8
59.96730	4.3
60.95862	4.3
61.01154	77.6
61.02911	1.6
62.01476	1.0
63.07047	0.6
66.73318	0.6
69.03445	3.7
70.02957	1.1
70.06584	2.6
70.99569	1.0
71.01353	2.7
71.04995	2.4
71.47922	1.3
72.00364	4.1
72.08158	2.4
72.66380	0.7
73.02924	9.1
74.02444	9.3
74.06055	0.7
74.99069	6.6
75.01042	1.3
75.02683	3.8
77.00605	5.5
77.03909	1.1
79.00402	0.7
79.05495	2.4
79.68620	0.6
81.03424	0.7
83.01343	3.4
84.01546	1.0
85.01121	11.1
85.02912	10.8
87.00832	2.3
87.02697	100.0
87.04476	6.0
87.05586	1.8
87.10041	2.4
88.03987	2.7
89.04256	1.5
90.09219	1.8
91.02179	2.8
91.05468	3.9
93.02141	0.9
93.07038	1.0
95.05000	0.7
97.02897	1.6
98.06078	1.3
98.97579	1.2
100.02494	2.5
100.52440	0.9
101.00881	1.0
101.02531	1.0
102.96883	2.5
103.02453	2.8
103.05480	1.5
104.10735	0.7
105.00110	6.1
105.03759	2.1
105.07032	17.2
105.07695	1.2
115.02215	0.7
115.03946	0.9
115.05468	1.7
117.07012	1.0
118.03523	1.4
119.01916	3.9
120.97855	0.8
121.03498	2.1
131.01961	0.8
131.08557	1.0
132.97908	0.7
133.01762	0.9
133.02040	1.0
133.03209	21.0
133.04874	3.2
133.06506	3.7
133.07597	1.7
133.10135	12.6
134.06021	1.1
134.11769	3.5
137.03032	1.0
142.03543	0.9
150.96893	0.7
151.04529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82597	0.5
53.03950	7.6
55.01879	4.7
55.05513	1.1
56.05035	1.3
56.96566	3.5
57.03440	6.6
58.06593	0.6
58.99592	13.4
59.04998	2.6
59.96733	3.1
60.95844	2.0
61.01155	79.3
61.02921	1.3
69.03426	3.4
70.06577	2.9
71.01346	2.3
71.04998	1.9
71.47536	1.0
72.00360	3.3
72.08163	2.0
73.02924	6.9
74.02445	10.4
74.06071	1.3
74.99067	4.2
75.02714	4.1
77.00617	5.1
77.03930	1.4
78.04687	0.7
79.05500	2.4
83.01343	2.1
84.01579	1.4
85.01129	11.2
85.02908	12.7
87.00847	2.1
87.02698	100.0
87.04456	3.7
87.05610	1.7
87.10059	2.2
88.03996	3.9
88.07637	0.8
89.04244	1.1
90.09204	1.7
91.02188	3.4
91.05470	4.4
97.02898	1.6
98.06042	1.5
98.97638	0.8
99.04454	0.7
100.02535	1.7
100.52438	0.7
101.00950	0.8
102.96893	1.6
103.02475	1.2
103.05458	1.6
104.51978	0.7
105.00108	4.9
105.03725	2.3
105.04408	0.7
105.07039	13.6
114.96884	0.7
115.02213	0.6
115.03943	1.0
115.05458	1.1
115.88783	0.6
117.07059	1.0
119.01902	2.2
120.97963	0.8
121.01518	0.9
121.03481	0.9
131.01976	0.9
131.08606	0.9
133.03207	20.4
133.04973	2.4
133.06505	3.3
133.07648	1.9
133.10127	8.3
134.06038	1.3
134.11789	4.9
137.03021	0.6
142.03561	0.9
152.74202	0.7
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
51.02386	0.4
53.03950	2.4
55.01878	3.8
55.05508	1.4
69.03453	0.5
69.07074	5.3
70.06605	0.6
71.17804	0.6
73.02926	0.4
73.06566	5.0
75.16157	0.3
77.03944	1.4
79.05499	16.2
81.03428	0.4
87.02699	0.7
88.02206	0.4
91.05482	10.7
93.07047	1.6
94.04157	0.5
95.04963	1.7
97.06522	0.7
103.05473	9.9
105.03412	1.1
105.04565	1.3
105.07037	100.0
106.06698	0.5
106.07335	2.0
107.04948	1.1
107.08600	0.6
112.02202	1.0
113.02991	0.6
115.05460	6.9
115.07571	0.7
116.06274	0.6
117.07033	2.0
118.07831	2.1
123.07925	1.6
131.04968	1.4
131.08588	2.9
132.05737	0.5
132.95918	0.4
133.02959	1.6
133.06502	69.7
133.10133	23.1
134.05952	0.4
134.06859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02370	1.8
53.03953	14.9
55.01863	1.8
55.05499	3.2
61.83675	0.7
65.03937	4.9
67.05509	1.1
69.32629	5.4
69.33039	1.3
77.03944	5.6
79.05499	44.6
81.03419	1.2
91.05492	27.5
93.07060	5.8
95.04976	11.7
98.20724	0.8
103.05482	20.7
103.55753	0.8
104.06244	1.2
105.03436	0.8
105.04545	7.7
105.07039	100.0
106.07375	1.4
107.08604	1.9
112.19002	0.7
115.05467	8.7
116.06271	1.2
117.07030	7.8
118.04182	1.3
118.07807	9.0
131.08591	9.9
133.02837	1.2
133.05487	1.3
133.06500	26.7
133.10139	91.6
134.10472	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03951	2.7
55.01881	2.8
55.05507	1.6
65.03927	0.6
66.04713	0.9
67.05515	0.6
70.01238	2.2
76.86375	0.4
77.03925	1.6
79.05499	14.7
82.05331	0.5
90.04704	2.5
90.81260	0.5
91.05487	16.1
93.07041	2.7
95.04957	2.4
98.21509	0.6
103.04811	0.9
103.05477	12.8
105.03417	1.1
105.04522	1.5
105.07036	100.0
106.07381	1.2
107.08636	0.8
115.05466	6.0
116.06267	0.9
117.07034	5.3
118.04169	8.6
118.07821	4.6
123.07988	0.7
131.04916	1.3
131.08595	4.8
133.02875	1.2
133.06502	57.1
133.10135	42.0
134.06848	0.9
134.10481	0.6
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	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03953	14.9
55.01863	1.8
55.05499	3.2
61.83675	0.7
65.03937	4.9
67.05509	1.1
69.32629	5.4
69.33039	1.3
77.03944	5.6
79.05499	44.6
81.03419	1.2
91.05492	27.5
93.07060	5.8
95.04976	11.7
98.20724	0.8
103.05482	20.7
103.55753	0.8
104.06244	1.2
105.03436	0.8
105.04545	7.7
105.07039	100.0
106.07375	1.4
107.08604	1.9
112.19002	0.7
115.05467	8.7
116.06271	1.2
117.07030	7.8
118.04182	1.3
118.07807	9.0
131.08591	9.9
133.02837	1.2
133.05487	1.3
133.06500	26.7
133.10139	91.6
134.10472	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05517	3.3
59.67417	0.6
65.03956	0.7
67.05510	1.7
69.86764	3.4
79.05498	9.0
88.61591	0.6
91.05486	31.9
93.07047	6.0
95.04968	1.6
103.01158	0.7
103.05460	4.6
105.07036	77.6
106.07387	1.1
106.48636	0.7
107.08592	2.1
113.35262	0.6
115.05450	8.3
115.06186	0.8
116.06253	1.7
117.07009	11.1
118.07816	9.6
129.07066	0.9
131.08580	11.4
133.10136	100.0
134.10515	2.2
145.18658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	2.4
53.43865	0.9
55.05502	3.5
65.03934	1.0
67.05512	1.1
79.05486	9.9
91.05485	31.2
93.07047	6.9
94.52100	1.0
95.04964	1.7
98.20819	2.1
99.01417	1.0
103.05491	5.2
105.04532	1.4
105.07038	82.4
106.07366	1.6
115.05456	7.3
116.06250	3.0
117.07010	11.0
118.07806	11.8
131.08580	13.1
133.10138	100.0
134.10457	1.9
151.39778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
54.47263	0.7
55.05511	4.0
55.86202	0.7
65.03934	1.2
67.05491	0.9
69.48844	3.8
79.05500	11.1
91.04909	1.5
91.05482	31.0
93.07050	6.8
95.04967	1.7
103.05442	4.0
105.07033	80.3
106.07345	1.3
107.08588	2.0
115.05466	8.7
116.06242	1.4
117.07024	10.6
118.07813	10.8
131.08568	9.9
133.06491	2.2
133.10132	100.0
134.10442	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03955	2.2
55.05511	5.1
62.47631	0.7
64.65495	0.7
69.32612	1.5
69.33035	5.8
77.03920	1.0
79.05506	11.4
85.23932	0.8
91.04906	1.6
91.05486	33.6
93.07045	5.9
95.04964	0.9
98.20770	1.4
103.05466	7.4
105.07034	100.0
106.07352	1.5
107.08602	2.1
115.05464	9.3
116.06248	1.8
117.07021	10.7
118.07810	10.1
129.06995	1.1
131.08574	10.8
133.06490	4.0
133.10135	86.5
134.10397	1.7
139.24446	0.7
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
53.03947	2.2
55.05508	4.5
65.03943	0.8
70.62360	1.5
70.62724	1.5
79.05494	10.3
86.81329	0.7
91.05484	37.0
93.07051	7.5
93.37674	0.9
95.04996	1.4
103.05483	7.0
105.04559	1.8
105.07035	100.0
106.07365	1.6
107.08603	2.6
115.05450	9.8
116.06263	1.7
117.07028	10.3
118.07808	10.1
129.07030	1.2
131.08571	16.1
133.06512	5.0
133.10135	84.7
134.10493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05513	2.5
59.15726	0.4
60.86991	0.4
65.03937	0.7
67.02618	0.4
67.05511	0.7
68.80204	0.5
69.42748	3.2
77.03908	0.5
79.05497	8.3
91.05486	22.4
93.07053	5.4
95.04967	1.3
98.20780	0.7
101.66728	0.5
103.05467	3.9
105.07040	55.2
106.07356	0.9
107.08606	1.2
115.05460	8.3
116.06244	1.7
117.07021	10.6
117.07858	0.5
118.07806	9.3
119.08279	0.5
127.57469	0.5
129.07047	0.9
131.08578	6.7
133.10139	100.0
134.10461	1.7
136.71324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	2.5
55.05495	2.0
65.03945	0.8
67.05498	1.0
69.98079	0.5
70.57555	2.3
70.75774	0.6
74.60445	0.7
79.05499	8.6
91.05487	23.9
93.07043	5.1
93.46201	0.7
95.04939	1.0
103.05477	5.7
105.04516	1.3
105.07034	66.0
106.07400	0.7
107.08607	1.2
115.05456	7.6
116.06232	1.4
117.07021	8.3
118.07812	8.7
129.06970	0.8
131.08574	7.0
133.06508	3.6
133.10133	100.0
134.10472	1.7
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
51.60037	0.5
53.03944	2.0
55.05526	2.7
62.54432	0.5
67.05495	0.6
71.03439	1.2
77.03914	0.8
79.05496	8.0
91.05488	24.0
93.07053	5.6
95.04988	1.2
103.05486	4.7
105.07037	54.2
106.07370	1.1
107.08592	1.6
115.05460	8.8
116.06245	1.7
117.07018	10.4
118.07807	8.7
119.08396	0.6
129.06975	0.8
131.08575	7.1
133.10136	100.0
134.10475	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.1
53.03755	0.7
53.03952	9.1
55.01859	3.1
55.05515	13.2
61.93160	1.0
65.03940	3.4
67.05506	47.3
69.07068	10.6
70.93076	1.8
71.20753	0.8
77.03929	1.6
79.05495	81.7
80.05830	1.4
81.03419	0.8
81.07059	33.5
91.04903	1.7
91.05484	38.7
93.07047	100.0
94.07365	1.8
95.04966	8.8
105.04499	4.0
105.07036	11.4
107.04965	8.9
107.08595	56.2
108.08208	0.9
108.08922	1.2
109.01099	1.0
109.06516	2.2
115.05463	2.6
117.06985	2.0
119.03526	1.5
119.06065	1.8
119.08575	8.1
133.10114	2.6
135.04448	5.9
135.08073	10.6
135.11694	54.5
136.02170	15.3
136.03893	0.9
136.06187	9.3
136.07542	2.5
136.12003	1.2
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	o-Cymol
Peak:m/z	Relative Intensity
51.02393	1.1
53.03951	8.2
55.01871	2.4
55.05514	12.9
55.31908	1.0
65.03932	2.6
67.05509	30.1
67.78040	1.0
69.07077	8.2
69.20405	5.1
69.20834	4.2
70.16776	0.8
77.03920	2.2
79.05499	80.6
81.06599	1.3
81.07068	30.0
91.05489	29.9
93.07052	100.0
94.07863	1.8
95.04980	7.3
105.04519	3.3
105.07035	7.9
107.04950	3.4
107.08604	58.8
108.08919	1.1
109.06561	2.2
119.08603	1.6
133.10097	1.2
135.04495	1.8
135.08069	7.0
135.11702	61.2
136.02185	7.1
136.06171	5.7
136.07681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02398	0.8
53.03760	0.9
53.03946	10.4
54.60471	1.0
55.01858	3.3
55.05512	12.9
57.45796	1.0
58.27829	1.0
65.03924	4.0
66.79951	1.0
67.05505	45.2
69.07066	8.1
69.35418	7.8
77.03909	2.0
79.05491	76.1
80.05015	1.5
80.05790	1.2
81.07054	34.4
83.21001	0.9
91.05482	37.7
93.07042	100.0
94.07348	1.6
95.04959	6.4
105.04490	4.3
105.07015	11.6
106.09772	0.8
107.04962	9.7
107.08595	59.1
109.01129	0.9
109.06532	2.6
115.05445	2.7
117.07052	2.4
119.03537	1.5
119.06075	1.8
119.08581	6.8
133.10110	1.1
135.04437	4.7
135.05421	1.1
135.08083	12.5
135.09059	1.7
135.11688	56.2
136.02162	17.4
136.06190	11.9
136.07576	2.8
136.12047	1.3
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
51.02386	1.0
53.03949	11.6
55.01865	3.3
55.05273	1.4
55.05515	15.5
65.03936	2.3
67.05509	32.3
69.07059	8.1
70.93137	1.9
71.78867	1.0
77.03905	2.1
79.05496	75.0
81.03387	1.4
81.07059	33.3
91.05484	33.1
93.07047	100.0
94.07845	1.7
95.04974	7.7
105.04510	3.7
105.07041	7.9
107.04957	8.9
107.08601	58.0
109.01078	1.2
109.06518	2.2
117.07019	2.2
119.03541	1.8
119.06036	1.7
119.08585	2.9
120.09385	1.3
133.10152	2.0
135.04420	3.2
135.05453	1.4
135.08081	12.3
135.11696	56.4
136.02168	12.6
136.05177	1.7
136.06189	12.2
136.07568	1.8
136.12018	1.2
146.34801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	11.6
55.01852	2.0
55.05515	12.1
65.03930	3.1
67.05507	37.8
68.30182	1.3
69.07069	10.0
73.02865	1.2
77.03925	2.8
79.05025	2.8
79.05495	79.0
81.07057	37.8
91.05483	39.9
93.07047	100.0
94.04092	1.7
94.07345	2.6
95.04970	11.3
95.81643	1.5
98.20769	5.0
105.04517	5.4
105.07045	9.2
107.04966	13.8
107.08593	63.4
108.08892	2.7
115.05495	2.2
117.07011	2.1
119.03537	3.0
119.06064	1.6
119.08532	2.7
135.04456	7.6
135.05362	1.5
135.08078	7.7
135.09001	1.6
135.11693	59.5
136.02174	23.4
136.05191	2.5
136.06189	27.1
136.07568	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02375	1.2
52.74938	1.0
53.03947	7.4
55.05518	7.5
56.96561	2.3
65.03933	3.3
67.05488	3.0
69.07059	2.5
69.14297	9.7
77.03925	2.8
79.05494	26.2
81.07053	3.9
90.15252	1.0
91.05484	63.3
93.07048	48.3
95.04964	3.3
95.08575	1.6
99.12524	0.8
100.13287	1.1
103.05468	1.6
104.06318	1.3
105.04505	3.8
105.07037	31.4
106.04198	1.8
107.04987	2.0
107.08596	100.0
108.08934	2.1
109.06540	7.2
110.21519	0.9
115.05449	1.5
117.07021	4.6
117.33433	1.0
119.06059	7.2
119.08591	22.8
120.09372	7.3
121.34439	1.2
133.10133	1.8
135.08052	10.3
135.11691	27.9
136.02116	1.6
136.06123	1.2
151.67009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	7.7
53.04168	1.0
55.05510	7.9
57.07071	1.1
57.82059	1.2
62.02829	1.1
65.03933	3.1
67.05512	2.6
69.07060	2.6
69.19418	10.5
73.77879	1.2
75.33491	1.5
75.33905	1.4
77.03924	1.2
79.05500	22.7
81.03390	1.3
81.07055	2.6
91.04906	2.8
91.05479	56.3
93.07043	46.8
94.07394	1.2
95.04967	5.2
98.20795	2.2
103.05431	1.8
105.04510	4.7
105.07034	28.4
107.04946	1.9
107.08596	100.0
108.08875	1.4
109.06556	3.6
115.05437	2.1
117.07020	3.8
117.38554	1.2
119.06061	4.7
119.08584	21.0
120.09359	5.0
123.93219	1.2
128.01953	1.1
128.93059	1.1
133.10193	1.3
135.04419	1.4
135.08069	4.0
135.11694	32.1
136.02164	2.9
136.06148	2.0
136.07579	4.8
136.08618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
65.44624	0.4
67.02979	0.5
71.21165	0.4
86.19817	0.4
91.05454	0.5
92.02457	0.7
92.70875	0.4
94.04056	3.7
105.75375	0.4
109.05130	0.7
119.03554	14.1
136.02156	1.3
136.06187	100.0
137.04582	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	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02375	2.9
53.03946	21.9
54.78139	0.9
55.01870	2.0
61.87511	1.1
65.03951	7.6
66.04739	1.0
67.05502	7.0
69.27853	10.4
70.02941	2.0
77.03932	6.5
78.04720	1.6
79.05486	3.3
80.05012	3.9
81.03413	2.0
81.07050	6.9
86.75806	1.0
91.05482	54.1
92.05807	2.3
93.05783	9.3
93.07044	22.6
94.04183	9.6
94.06561	1.2
95.04974	16.6
95.08588	1.4
105.04519	10.7
106.07353	1.3
108.04458	3.6
108.08121	12.3
108.08844	2.1
109.01147	1.0
109.10137	1.3
119.03560	2.0
122.03632	12.3
126.05515	9.9
136.02190	13.7
136.06206	13.8
136.07578	100.0
137.05988	23.4
137.07886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.01608	1.2
51.02373	2.9
53.03947	25.7
53.15715	1.0
55.01867	1.8
56.01408	0.8
61.59454	0.7
65.03939	7.2
67.05505	7.8
69.86076	4.3
70.02955	2.7
77.03925	8.3
78.04710	2.3
79.05479	4.1
80.05006	2.7
81.03409	2.7
81.07052	6.5
81.83255	0.7
91.05483	58.8
92.05798	1.9
93.05785	9.2
93.07043	26.8
94.04185	6.7
94.06570	1.9
94.07352	1.4
95.04387	1.4
95.04970	18.9
95.08585	1.3
96.04509	1.4
105.04512	11.6
106.07366	1.1
107.04955	1.4
108.04496	3.7
108.08138	14.0
108.08884	2.2
109.01083	1.0
109.06510	1.5
109.10147	1.8
118.06573	1.2
119.03540	1.6
119.08582	1.3
121.05295	1.0
122.03642	9.5
122.07298	3.2
126.05511	8.5
136.02176	10.1
136.06248	6.8
136.07578	100.0
137.05991	16.0
137.07947	1.8
137.09613	4.1
137.91853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.30540	0.5
51.02387	0.8
53.03941	1.3
55.05487	0.6
56.74897	0.5
62.36746	0.6
65.03930	2.0
66.04441	0.5
66.04725	6.3
67.05494	3.0
70.57597	1.7
77.03918	1.4
79.05492	4.7
79.86590	0.6
81.03410	0.9
81.07050	4.5
91.05490	7.4
93.03425	0.5
93.07026	0.7
94.04186	49.3
95.04980	1.3
95.08606	3.2
98.20829	0.6
107.04932	3.2
109.06534	2.1
109.10151	1.5
110.68838	0.5
112.87000	0.5
119.04941	0.9
119.08573	0.7
122.03651	69.3
122.07312	2.1
123.03976	1.3
137.05980	100.0
137.09534	3.5
138.06339	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.8
53.03936	1.7
55.01854	0.8
55.05497	0.9
55.29913	0.6
65.03937	3.8
66.04725	6.0
67.05506	4.6
67.67312	0.6
69.03417	0.7
70.63148	1.5
70.63485	0.7
70.76073	0.6
77.03935	1.2
79.05499	6.4
81.07060	5.8
91.05485	23.8
92.05840	0.8
93.07078	1.0
94.04190	46.8
95.04458	0.6
95.05007	1.3
95.08604	4.3
107.04967	3.6
109.06503	2.0
109.10136	4.1
119.04937	7.0
119.08611	1.0
121.06521	0.8
122.03652	63.5
122.07277	8.1
123.04000	1.2
135.04510	0.7
137.05983	100.0
137.09584	8.6
138.06337	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.08864	0.5
51.02410	0.7
53.03951	1.5
62.97801	0.5
65.03951	1.3
66.04726	6.9
67.05513	0.7
70.18288	2.2
70.18643	0.9
77.03940	1.4
79.05486	4.1
81.07059	1.4
91.05493	4.3
94.04191	50.5
94.48391	0.5
105.03419	0.7
107.04970	2.1
109.06511	0.8
122.03658	73.2
123.04014	1.3
136.13586	0.5
137.05984	100.0
138.06308	2.0
138.60313	0.5
141.36366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02376	0.8
53.03939	1.5
53.28595	0.5
54.40449	0.4
55.01880	0.7
65.03938	1.9
66.04725	6.5
67.05497	1.5
69.03438	0.6
71.09135	0.5
71.09441	0.9
77.03932	1.3
78.57676	0.5
79.05499	5.8
81.07066	3.0
83.02742	0.5
91.05502	4.1
94.04188	52.2
95.04472	0.6
95.04992	0.7
95.08611	1.4
105.03397	1.0
107.04949	1.6
109.06494	1.2
109.10149	0.6
116.70249	0.5
120.04453	1.0
122.03650	69.9
122.07269	1.4
123.03965	0.9
135.04417	0.9
137.05978	100.0
137.09535	2.4
138.06323	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03950	1.3
55.01871	0.9
65.03946	2.2
66.04722	10.8
66.05073	0.7
69.03424	0.5
69.29267	2.6
69.29694	1.7
77.03916	1.2
79.05492	3.6
81.07067	1.9
91.05470	4.1
93.03373	0.5
94.04188	62.1
94.13744	0.5
95.04496	0.7
95.05021	0.7
98.20776	0.7
105.03407	0.9
105.04513	0.5
107.04951	2.1
109.06532	0.9
122.03652	83.8
123.03994	1.0
135.04408	0.9
136.61482	0.5
137.05981	100.0
137.16753	0.5
138.06293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.45947	1.0
53.03944	5.1
55.01880	2.2
55.05508	5.2
60.30820	1.0
65.03938	4.9
66.04714	4.5
67.05507	48.1
69.03432	2.4
69.07056	4.7
69.16619	8.5
69.17020	2.9
77.03922	1.6
79.05488	14.0
80.06320	1.1
81.03388	1.4
81.07056	26.4
85.69349	1.0
91.05480	27.0
92.05824	1.3
93.07029	9.6
94.04191	41.7
94.07831	1.3
95.04971	4.6
95.08617	22.2
100.35605	1.0
103.05471	2.6
104.06236	2.0
105.04500	2.5
107.04958	28.7
107.08612	2.8
109.06535	4.9
109.10155	42.7
117.06978	6.1
119.08584	28.8
121.06512	9.4
122.03656	59.6
122.07288	100.0
123.04012	1.4
123.07616	1.6
135.08072	5.1
137.05980	91.4
137.07878	3.1
137.09616	94.6
137.13214	1.8
138.09995	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05501	2.1
65.03941	3.3
66.04721	5.9
67.05506	25.1
69.03411	0.9
69.07075	1.3
71.09140	1.5
77.03925	2.6
79.05494	9.9
81.07053	12.2
91.05485	27.8
92.05798	1.3
93.07037	5.0
94.04187	51.0
94.07832	1.3
95.04963	2.5
95.08615	10.4
97.84576	0.9
103.05465	1.8
105.04518	1.7
107.04957	20.5
107.08591	1.4
109.06536	1.9
109.10162	26.8
113.89242	0.9
117.07021	1.7
119.04964	4.5
119.08584	12.7
121.06496	8.3
122.03655	67.2
122.07288	74.3
123.03990	1.9
123.07613	1.6
135.08054	3.9
137.05983	100.0
137.09615	66.9
138.06377	1.9
138.10005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03947	5.5
55.01876	9.7
55.05515	9.5
57.07077	8.5
65.03938	7.6
66.04735	4.3
67.05507	61.3
68.99783	0.9
69.03413	2.0
69.07077	6.6
69.82186	4.2
77.03889	1.7
79.05023	1.3
79.05493	19.7
81.03394	2.8
81.07059	67.8
85.89765	1.0
91.05487	24.4
92.05820	2.2
93.07045	12.4
94.03615	1.8
94.04191	30.7
94.06575	1.7
95.05002	7.4
95.08610	100.0
96.04481	1.2
96.08940	1.0
105.04536	1.2
107.04969	9.6
107.08574	3.1
109.02853	1.0
109.06518	14.5
109.09393	1.8
109.10161	31.1
110.06044	3.4
117.07035	1.2
118.52773	1.0
119.04947	3.8
119.08600	6.2
121.06508	4.4
122.03655	38.1
122.07291	29.9
123.03901	1.4
123.06823	1.1
135.08070	1.4
137.02464	4.7
137.05981	63.4
137.09616	41.2
137.13249	9.5
138.05496	5.1
138.06386	1.4
138.09138	4.9
138.10069	1.1
141.60466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03934	4.9
55.05501	5.3
57.07082	9.9
65.03935	4.7
66.04723	2.0
67.05505	38.6
69.07079	9.2
69.42196	3.6
69.42618	10.8
71.30605	1.6
72.31299	1.5
79.05498	16.0
81.07057	68.5
88.79810	1.7
91.05479	17.2
93.07069	9.9
94.04187	13.5
94.06569	4.1
95.04971	4.0
95.08609	100.0
96.08969	2.1
109.06523	5.3
109.10149	9.4
110.06044	4.0
119.04942	2.4
119.08531	1.8
122.03652	18.4
122.07291	4.0
137.02434	6.2
137.04497	2.2
137.04950	2.7
137.05901	22.5
137.09607	11.9
137.10667	3.9
137.13260	10.2
138.05516	18.3
138.09061	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03941	0.5
55.41275	0.2
58.47282	0.2
65.03957	1.3
67.05500	0.7
69.85131	0.9
72.63079	0.2
78.03442	0.9
79.04214	0.3
87.16875	0.2
92.05010	10.0
93.05782	0.8
94.06572	18.4
95.06825	0.2
96.04493	2.4
110.06051	10.2
134.14700	0.2
136.03929	0.4
138.05505	100.0
139.05840	1.8
154.05006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.65509	0.5
53.03960	0.8
55.01886	1.1
55.05502	1.3
55.35668	0.6
56.96576	1.3
57.93569	0.9
58.62967	0.5
65.03948	77.9
66.04275	1.2
67.05520	4.4
69.03433	3.7
69.07066	2.6
69.38826	1.8
69.39256	1.8
70.86349	0.5
76.22559	0.5
79.05504	2.2
81.07059	0.7
83.04994	3.2
86.52615	0.5
91.05499	1.3
93.03416	75.0
93.07085	2.7
94.03741	1.1
94.06577	1.3
94.50126	0.5
94.61828	0.5
95.04980	4.8
95.08596	1.2
97.06516	1.1
98.20704	1.0
98.97583	7.0
98.98442	2.8
105.07094	0.5
111.04455	100.0
112.04025	0.5
112.04792	1.4
112.07624	4.6
113.06043	0.7
116.97266	1.2
116.98636	2.6
117.55170	0.6
121.02869	6.3
121.03983	2.2
121.06535	0.7
121.10171	0.7
122.06075	1.1
123.04478	0.5
134.06026	1.2
134.99686	1.0
139.03931	10.6
139.04953	1.1
139.05864	0.6
139.07561	1.3
139.11169	1.4
139.12225	0.9
140.07089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
52.52652	0.5
55.01866	0.8
55.05515	0.7
56.96574	0.9
60.03156	0.5
65.03942	87.1
66.04262	1.2
67.05494	4.7
69.03436	3.5
69.07053	3.0
69.83145	0.8
69.83433	3.3
71.30614	0.5
79.05505	1.3
81.07050	0.6
83.04988	2.1
84.08158	1.0
91.05475	0.7
93.03407	87.8
93.07044	2.5
94.03734	1.5
95.04967	4.2
95.08605	1.1
95.23791	0.6
95.69254	0.6
97.06525	0.7
98.97598	3.6
98.98474	1.8
111.04443	100.0
112.04748	1.0
112.07620	4.2
113.06022	1.1
116.98615	1.8
121.02863	1.7
121.03980	1.3
122.06067	0.7
134.06030	0.9
134.99675	0.7
139.03914	9.4
139.04968	0.7
139.07541	0.8
139.11163	1.3
139.12285	0.7
140.07062	1.1
143.61339	0.6
146.40373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86800	0.6
53.03944	2.1
55.01869	2.8
55.05512	7.1
56.96561	1.7
57.07078	3.9
57.93565	1.2
59.05005	3.1
65.03938	9.9
65.04250	1.0
67.05512	5.0
68.05848	0.7
69.03432	100.0
69.07076	9.5
71.47950	0.7
72.34623	0.6
79.05495	8.0
81.07056	4.6
81.07461	0.8
83.04987	14.2
83.08604	0.7
91.05486	4.3
93.03407	9.6
93.04545	1.2
93.07047	13.5
94.06556	1.0
95.04969	4.9
95.08054	1.0
95.08611	8.3
97.02896	2.1
97.06529	15.6
98.06092	0.8
98.06782	0.7
98.97590	4.7
98.98476	7.0
103.05504	0.8
105.04546	0.8
105.07026	4.8
106.07858	0.9
110.07242	0.8
111.04454	14.7
111.08071	2.8
112.03998	0.8
116.97189	1.6
116.98625	2.6
119.08532	0.8
121.02888	1.4
121.03999	3.5
121.10140	11.0
122.06021	1.2
124.04161	0.9
124.05167	0.8
133.07652	0.7
133.68095	0.7
134.99608	0.8
139.03903	3.0
139.05032	1.9
139.07545	2.2
139.11185	45.6
140.07062	1.4
140.11514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
50.86800	0.6
53.03944	2.1
55.01869	2.8
55.05512	7.1
56.96561	1.7
57.07078	3.9
57.93565	1.2
59.05005	3.1
65.03938	9.9
65.04250	1.0
67.05512	5.0
68.05848	0.7
69.03432	100.0
69.07076	9.5
71.47950	0.7
72.34623	0.6
79.05495	8.0
81.07056	4.6
81.07461	0.8
83.04987	14.2
83.08604	0.7
91.05486	4.3
93.03407	9.6
93.04545	1.2
93.07047	13.5
94.06556	1.0
95.04969	4.9
95.08054	1.0
95.08611	8.3
97.02896	2.1
97.06529	15.6
98.06092	0.8
98.06782	0.7
98.97590	4.7
98.98476	7.0
103.05504	0.8
105.04546	0.8
105.07026	4.8
106.07858	0.9
110.07242	0.8
111.04454	14.7
111.08071	2.8
112.03998	0.8
116.97189	1.6
116.98625	2.6
119.08532	0.8
121.02888	1.4
121.03999	3.5
121.10140	11.0
122.06021	1.2
124.04161	0.9
124.05167	0.8
133.07652	0.7
133.68095	0.7
134.99608	0.8
139.03903	3.0
139.05032	1.9
139.07545	2.2
139.11185	45.6
140.07062	1.4
140.11514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28111	0.5
56.96569	17.9
59.85754	0.5
70.70721	1.3
71.95260	7.4
71.95634	0.8
79.32753	0.5
98.97587	100.0
115.74156	0.4
115.91976	0.6
116.98626	35.1
129.36093	0.5
134.99658	7.0
140.00194	0.8
144.06364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	1.0
56.96569	21.1
70.06966	2.4
70.07304	0.4
71.95267	7.5
73.56058	0.4
77.69795	0.4
98.20734	0.7
98.97591	100.0
116.98628	36.0
134.99666	6.4
143.60860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03951	25.9
55.01872	2.7
55.05493	1.0
56.45865	0.7
56.96568	4.9
57.93552	2.9
61.64784	0.9
65.03944	3.7
67.05510	43.6
69.03432	1.1
69.07069	8.5
69.87274	3.9
69.99323	1.0
70.02951	0.9
70.06586	0.9
71.95261	2.5
74.99258	0.8
77.03931	4.9
81.03417	4.2
84.08149	8.2
86.75318	0.8
93.05786	15.3
94.06576	52.7
95.04973	35.7
95.05580	1.8
95.08602	0.8
96.04491	2.2
97.02900	4.1
97.05245	1.6
98.20835	0.9
98.97589	20.3
105.04527	13.9
112.04041	1.1
112.04759	1.3
112.07610	15.6
113.02358	2.1
113.05994	1.7
116.97276	5.5
116.98622	10.8
122.06036	100.0
123.04424	2.2
123.06400	1.3
125.02361	8.2
134.99655	3.0
138.05499	1.1
140.03470	1.5
140.04698	3.3
140.07072	47.7
141.01822	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
54.11721	1.0
55.01861	2.6
56.05032	1.1
56.96313	1.2
56.96570	22.8
57.93580	9.4
65.03939	10.4
66.04283	12.6
67.01851	1.2
67.05508	35.6
68.05815	1.2
69.03432	32.6
69.06739	1.5
69.07076	20.2
70.06580	2.2
70.41385	2.5
70.41770	2.3
71.95272	7.3
79.05513	1.1
83.04983	0.9
84.08144	7.2
93.03391	1.5
94.03732	11.7
94.06574	11.4
95.04967	29.8
95.08590	4.4
96.04530	1.3
97.02906	1.1
98.97588	100.0
111.04411	2.8
112.04018	2.4
112.04768	19.7
112.07610	53.8
113.02364	5.1
113.05996	9.9
115.58246	1.0
116.97301	14.2
116.98620	54.1
122.06046	10.1
123.04459	6.0
123.05293	1.0
125.02360	4.9
126.04143	1.4
134.99664	14.8
138.05530	2.4
140.00197	2.0
140.03410	3.4
140.04349	2.7
140.07053	15.5
140.10693	2.0
141.01816	7.7
141.05432	1.3
141.95000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02374	1.2
52.40228	1.0
53.03949	25.4
55.01862	3.0
55.27562	1.0
64.34634	0.9
65.03945	3.5
67.05508	43.0
69.07080	5.5
69.53649	7.4
72.83295	1.0
77.03922	6.1
79.05513	1.1
81.03426	2.1
84.08141	8.8
93.05794	18.5
94.06573	50.9
95.04974	36.4
96.04507	2.5
98.97584	3.7
105.04523	14.1
106.04889	1.1
112.07603	15.3
113.02352	1.5
113.06044	2.0
115.20958	1.0
116.98604	3.6
122.06033	100.0
123.04480	2.0
123.06381	1.4
140.07071	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.2
58.74533	5.4
65.50251	6.7
69.48291	5.6
70.89587	9.5
79.51183	6.1
81.73240	6.0
82.99879	6.6
96.30215	8.0
101.00878	85.2
101.01421	8.5
115.97027	7.5
118.22015	6.0
119.01929	100.0
124.97594	7.3
127.47851	8.6
128.49478	7.6
128.91818	5.9
133.98097	8.6
136.48349	7.2
137.02937	16.5
142.03534	21.4
145.48880	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	142.0863
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
53.00313	3.0
54.46443	2.0
55.01889	3.7
55.05504	8.6
57.03444	3.4
57.04180	2.0
58.06603	8.9
58.08877	2.2
59.93110	3.5
69.03427	12.6
69.07068	20.5
69.50333	11.0
69.50739	5.1
71.04980	6.5
71.08632	100.0
72.04484	2.5
74.98872	2.0
79.05491	14.5
79.39430	2.0
80.05035	2.1
81.07049	5.6
82.06569	3.2
96.08129	24.9
97.02862	14.1
97.06524	25.6
98.21497	4.2
106.06578	7.4
114.08406	4.6
114.09167	45.6
114.09970	3.0
118.96764	6.4
119.01931	2.6
124.07584	16.8
125.02353	17.6
125.06003	12.5
127.10823	2.1
128.06229	4.4
142.05043	2.8
142.08630	33.1
143.03397	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53294	0.5
56.05038	0.7
56.96560	2.4
57.86707	0.5
58.06610	3.8
58.99875	3.7
69.03442	0.9
70.06574	0.6
70.16479	2.0
70.16902	0.9
70.98109	0.8
70.99860	9.3
77.00919	3.5
81.04548	9.4
82.01449	0.9
82.99840	5.4
84.04509	0.9
84.08150	3.9
85.02886	1.3
89.00890	2.7
94.47899	0.7
95.01929	0.7
95.06087	5.3
97.07653	2.1
98.97595	1.9
100.02494	0.6
101.00893	58.8
102.00994	2.0
102.05503	0.6
110.01406	0.8
119.01929	100.0
120.02011	3.4
125.02355	0.7
125.07117	3.7
137.02960	10.6
142.03531	1.9
143.01926	6.5
143.03377	4.1
143.08186	3.3
144.10207	27.1
161.02997	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
56.96569	9.5
57.03441	2.4
58.06587	0.5
58.99875	2.3
60.95839	0.6
61.02919	1.6
64.95560	0.4
66.00529	0.5
68.00255	0.5
69.03429	1.7
69.48144	2.5
69.48555	0.9
70.06588	0.6
70.98121	3.3
70.99492	0.7
70.99858	10.3
71.95252	0.5
71.99968	0.6
72.08155	0.5
73.02933	1.0
75.01064	0.5
77.00916	2.1
80.00257	0.6
81.03395	0.5
81.04536	1.1
82.01444	0.8
82.99840	10.3
83.00834	0.4
83.01345	0.6
84.01608	0.5
84.08141	1.2
84.96030	0.8
85.01399	0.6
85.02902	2.0
86.09719	0.5
88.02684	0.5
89.00864	3.3
90.52961	0.4
93.01903	0.5
93.53500	0.4
95.01349	0.5
95.06100	0.6
97.02901	1.8
98.06026	0.5
98.97598	6.1
100.02511	1.4
101.00886	79.5
101.97216	0.8
101.99718	0.5
102.00952	3.0
102.96886	1.7
103.02470	0.9
103.49769	0.4
105.00394	0.4
109.02864	0.4
111.00335	0.6
113.00839	0.7
115.02472	0.5
116.98643	1.7
119.01924	100.0
120.02007	4.0
120.12017	0.4
120.97958	0.9
124.02475	0.9
124.95464	1.0
125.02350	2.2
128.98680	0.6
131.01912	1.4
133.03476	1.0
137.02962	8.7
138.03110	0.5
140.54764	0.5
142.03560	2.4
142.96510	1.3
143.01918	5.4
143.03423	8.9
144.10216	2.6
146.99658	0.5
160.04515	0.5
161.02965	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82747	2.8
53.95467	2.9
55.63582	2.8
56.96594	2.9
60.95857	21.2
65.76017	2.8
70.18661	8.9
80.51071	4.2
83.99879	5.5
84.99615	4.2
98.21484	3.8
101.00896	13.8
102.00944	44.4
102.96877	100.0
103.00642	25.2
108.97964	3.8
119.01906	19.0
120.02021	92.9
120.48851	4.3
120.97915	37.4
121.01672	41.2
129.49414	12.9
134.35782	2.6
138.03061	14.5
138.49919	13.7
138.98924	7.5
138.99879	4.5
139.02696	7.4
141.00165	4.7
142.57297	2.8
144.03201	10.5
150.00670	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	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01873	2.6
55.05473	1.7
57.03428	2.0
57.07075	100.0
59.89426	1.3
62.92976	3.7
69.03419	3.2
69.86120	5.7
69.86541	2.7
71.01331	4.0
71.04988	8.1
81.03400	4.8
85.02893	9.2
85.06543	56.9
89.03909	2.3
91.05466	10.1
91.64343	1.3
97.02902	4.1
99.04456	24.2
100.07589	3.0
103.05448	5.5
105.07030	30.0
115.05461	11.9
116.06259	2.4
117.07011	24.4
118.06509	1.7
121.96619	4.3
127.03914	4.4
127.07565	1.9
128.06236	2.6
129.06972	5.8
130.07791	17.5
132.76521	1.3
143.08528	2.1
145.04926	2.0
145.05315	1.7
145.06503	16.4
145.10117	34.9
155.06067	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	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
54.11272	1.1
55.01871	2.6
55.65894	1.1
57.03445	1.6
57.07079	100.0
60.55090	1.2
62.92989	1.4
69.03430	4.5
69.59395	6.8
71.04981	5.3
79.05474	1.4
81.03409	2.5
85.02909	7.2
85.06548	78.3
86.06857	1.2
91.05505	6.3
97.02905	4.3
99.04461	15.3
100.85075	1.1
105.07032	16.2
115.05463	4.4
117.07009	9.4
118.06548	2.4
121.96624	2.0
127.03946	2.7
127.07500	1.6
128.06244	1.7
129.07008	3.3
130.07787	10.0
143.08557	3.3
145.06514	1.2
145.10133	23.4
146.06039	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03954	5.8
53.58796	0.7
55.01865	2.8
55.05495	0.9
56.05035	0.8
57.03440	1.8
57.07067	2.2
58.23541	0.7
62.92998	4.9
65.03923	1.2
67.05490	1.9
69.03434	5.7
69.55480	1.3
69.55903	3.3
71.01353	1.2
71.04998	12.8
79.05479	2.6
81.03429	6.5
82.06578	6.8
85.02914	6.4
85.06529	1.5
89.03918	1.9
91.05484	21.8
97.02890	3.1
99.04462	26.8
99.05119	1.3
100.07610	10.4
101.02361	0.9
103.05495	6.5
105.07037	79.0
106.07364	1.6
115.03915	0.8
115.05458	18.7
116.06257	3.6
117.07024	38.6
118.06548	2.0
118.07352	0.8
121.96646	7.4
127.03938	5.2
127.05415	1.0
128.06236	6.0
129.07024	11.4
130.07797	49.3
131.08153	0.8
143.08574	11.1
144.05745	1.0
145.03940	1.2
145.04994	2.0
145.06497	20.6
145.10132	100.0
146.06003	1.6
146.08115	3.2
146.10489	2.1
155.06033	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57339	0.7
51.02353	0.8
52.67810	0.6
53.03931	2.5
55.01867	1.6
57.03418	0.9
62.92992	5.1
65.03912	1.6
67.05511	7.8
69.03438	1.2
70.39435	1.6
70.39828	2.1
71.05002	5.2
79.05489	6.7
81.03397	1.2
82.06581	2.5
85.02897	2.7
91.05487	25.1
91.40305	0.7
97.02914	1.3
99.04457	12.3
100.07647	6.2
103.05482	4.5
104.06251	1.0
105.07036	60.4
106.07377	1.8
115.05460	14.8
116.06247	5.4
117.07023	69.1
118.07348	1.5
121.96649	7.3
127.03903	1.9
128.06224	6.2
129.07007	10.5
130.07797	39.2
143.08571	9.8
144.98169	0.7
145.03880	0.9
145.04994	1.1
145.10129	100.0
146.08147	1.0
146.10466	2.9
155.06053	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	8-Hydroxyquinoline
Peak:m/z	Relative Intensity
53.03939	1.7
55.05513	0.8
57.41119	0.3
65.03938	2.4
69.02260	0.3
70.55725	0.3
71.21929	0.4
77.03947	0.5
79.05498	0.9
81.03401	0.3
82.06586	2.5
91.05486	24.9
92.05834	0.6
95.04968	1.2
98.21165	0.5
100.07625	5.5
103.05473	0.8
104.05001	3.6
105.03421	0.4
105.04483	0.7
105.07038	5.4
106.07362	0.8
107.08566	0.7
116.05761	0.4
117.05810	1.6
117.07020	1.5
118.06568	7.6
118.07360	0.8
119.04947	14.5
119.08584	6.9
123.96560	0.4
128.04958	3.8
129.04561	0.5
131.08136	0.8
132.09357	0.7
145.10158	1.6
146.06015	100.0
146.10475	1.8
147.04446	6.4
147.06357	2.5
147.08051	0.7
147.11708	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
65.03938	2.2
71.09035	1.1
72.08147	1.2
82.06573	2.4
84.08131	1.3
87.82206	0.5
91.05482	35.8
92.05828	0.8
100.04804	1.1
100.07610	4.5
101.03631	0.6
105.07037	1.3
117.05778	4.6
118.06544	100.0
119.04946	12.6
119.06877	2.6
119.08575	1.0
128.04967	7.7
146.06013	27.1
146.08122	1.9
147.04431	4.5
147.11714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.01832	0.4
53.03949	0.8
55.05517	1.1
63.83304	0.4
65.03943	11.3
71.02927	1.1
79.05515	0.5
91.05485	100.0
92.05818	2.3
95.05011	0.7
103.05471	0.8
105.07036	6.8
117.07024	1.3
119.04947	93.5
119.08577	8.7
120.05264	2.3
127.94387	0.4
145.10110	0.9
147.04416	36.9
147.08058	2.0
147.11697	3.8
148.04747	0.8
162.01595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.42668	0.7
53.03938	0.8
55.05518	2.6
61.37466	0.5
64.56125	0.5
65.03941	11.0
69.07052	1.8
70.77726	1.2
70.78060	1.0
79.05482	2.1
81.07069	0.6
84.08148	1.1
91.05484	100.0
92.05823	1.9
93.07037	1.3
94.00179	0.5
95.05001	0.7
103.05457	1.5
104.06257	0.7
105.07037	20.8
107.08596	1.5
117.07025	3.3
119.04947	81.7
119.08584	22.4
120.05280	1.7
129.07036	1.0
131.08588	0.6
132.09326	0.7
145.10107	2.0
147.04420	32.8
147.08035	2.9
147.11702	11.7
148.04793	0.9
148.11186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.2
55.05511	0.8
55.29299	0.6
56.77826	0.7
65.03938	10.2
66.58826	0.6
71.09228	1.5
79.05505	0.9
91.05486	100.0
92.05819	2.5
95.04964	0.7
96.91885	0.6
105.07034	7.7
107.43240	0.5
117.07004	1.0
119.04947	89.6
119.08580	9.9
120.05286	1.0
142.28146	0.6
145.10107	0.8
147.04414	33.7
147.08061	1.4
147.11685	5.3
148.04767	1.1
152.77077	0.6
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
53.03939	0.7
55.05514	1.9
64.26594	0.6
65.03945	10.9
69.07057	0.8
69.68986	3.7
79.05501	1.6
91.05487	100.0
92.05829	2.3
93.07027	0.8
97.50549	0.6
98.21475	1.4
103.05448	1.2
105.07035	15.3
105.07704	1.2
107.04960	0.9
107.08612	0.6
117.07005	2.9
119.04948	85.3
119.08588	18.2
120.05309	2.3
125.89207	0.6
129.07022	0.6
145.10146	1.1
147.04416	33.8
147.08041	3.1
147.11708	8.2
148.04855	0.8
148.07591	0.8
157.04089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	D-Lysine
Peak:m/z	Relative Intensity
54.99798	0.3
56.05037	4.8
56.96566	1.9
57.03447	0.4
60.69069	0.3
65.03942	1.0
67.05502	1.5
69.03426	0.5
69.59489	2.6
84.01608	0.6
84.03994	0.9
84.04510	30.2
84.08147	100.0
85.02921	1.2
85.06558	0.8
85.08485	1.7
88.03941	0.3
91.05486	10.0
92.05762	0.4
93.02060	0.4
97.02915	0.3
98.97601	0.9
101.00972	0.4
101.01746	1.1
102.05535	3.8
102.09174	0.4
103.05499	0.6
103.34435	0.4
105.07024	0.7
107.27431	0.4
113.06020	0.3
119.04947	9.0
119.08593	0.8
130.05009	3.7
130.08644	9.8
131.00156	0.4
134.62463	0.4
147.04419	3.8
147.11540	0.4
149.01178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.94783	1.0
53.03943	1.3
55.05510	7.7
60.10004	1.1
60.24664	1.1
65.03943	8.5
67.05498	2.8
69.07066	3.0
69.15656	10.7
79.05482	6.1
80.28531	1.1
81.07033	1.6
83.68779	1.3
91.05486	100.0
92.05833	1.7
93.07040	3.2
103.05493	3.9
104.06279	1.7
105.07038	72.6
105.80083	1.2
107.08588	3.4
115.05467	1.6
117.07018	11.1
119.04948	58.8
119.08588	92.5
120.05318	1.7
120.08946	2.4
129.07004	1.8
132.05748	1.5
132.09366	3.3
145.10101	7.4
147.04424	23.1
147.08110	5.3
147.11699	43.5
148.12030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05513	9.9
56.82724	0.9
56.95771	0.8
61.40618	0.8
65.03925	3.0
67.05484	2.5
69.07082	5.2
69.87941	4.4
70.00980	0.8
70.01359	0.8
71.36377	0.8
79.05493	8.2
81.07050	1.6
84.08121	0.9
85.63743	0.9
91.05487	45.2
91.82750	0.9
92.05798	0.9
93.07046	3.0
103.05461	3.4
104.06255	1.3
105.07037	75.8
106.07333	1.3
107.08604	9.7
115.05419	1.6
116.06194	1.0
117.07027	11.8
119.04945	14.0
119.08587	100.0
120.08904	2.6
129.07039	1.1
130.07806	1.0
131.08556	2.7
132.09360	5.1
145.10136	7.8
147.04437	6.3
147.08029	1.0
147.11693	52.6
148.12022	1.2
164.08678	0.9
166.00461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.6
55.05513	9.9
56.82724	0.9
56.95771	0.8
61.40618	0.8
65.03925	3.0
67.05484	2.5
69.07082	5.2
69.87941	4.4
70.00980	0.8
70.01359	0.8
71.36377	0.8
79.05493	8.2
81.07050	1.6
84.08121	0.9
85.63743	0.9
91.05487	45.2
91.82750	0.9
92.05798	0.9
93.07046	3.0
103.05461	3.4
104.06255	1.3
105.07037	75.8
106.07333	1.3
107.08604	9.7
115.05419	1.6
116.06194	1.0
117.07027	11.8
119.04945	14.0
119.08587	100.0
120.08904	2.6
129.07039	1.1
130.07806	1.0
131.08556	2.7
132.09360	5.1
145.10136	7.8
147.04437	6.3
147.08029	1.0
147.11693	52.6
148.12022	1.2
164.08678	0.9
166.00461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.62483	1.0
55.05517	8.6
56.34026	1.0
65.03935	2.2
67.05514	1.3
69.07060	3.6
71.21338	1.4
71.21657	1.1
79.05503	7.2
79.21870	1.0
88.84235	0.9
91.05489	44.9
92.05823	1.0
93.07087	1.7
103.05461	2.9
105.07040	73.7
106.07359	1.7
107.08604	8.2
115.05495	1.0
116.06227	1.8
117.07022	8.4
119.04968	11.3
119.08589	100.0
120.08930	2.3
129.07016	1.2
130.07753	1.2
131.08560	2.3
132.09328	4.0
145.10141	7.5
147.04433	4.5
147.08138	1.8
147.11703	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.9
53.03946	0.8
55.05516	4.4
58.40990	0.6
65.03949	9.2
67.05505	1.5
69.07065	1.2
69.16575	0.6
69.35458	4.0
78.04719	0.8
79.05085	0.7
79.05492	4.2
84.04511	1.1
84.08139	0.6
91.05489	100.0
92.05820	1.9
92.10452	0.7
93.07053	2.0
103.05488	3.5
104.06270	2.1
105.07040	35.0
107.04957	1.6
107.08585	2.3
115.05460	3.6
116.06235	1.8
117.07031	10.4
117.28526	0.6
119.04953	67.8
119.08592	59.7
120.05284	1.9
120.08112	0.6
120.08904	1.7
123.96486	1.3
128.06261	1.1
129.05318	1.8
129.07010	2.8
130.07785	1.1
131.08575	1.9
132.05717	5.2
132.09387	5.0
145.10139	7.2
147.04428	29.7
147.06334	2.9
147.08066	16.9
147.11705	30.1
148.04768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.59267	0.9
51.02386	0.9
53.03954	1.3
55.05518	7.3
59.41055	1.0
62.27393	0.9
64.92824	1.0
65.03946	10.5
67.05501	2.3
67.66052	1.0
69.07063	2.6
70.93142	2.1
79.05502	6.1
91.05486	100.0
92.05830	2.3
93.07050	3.0
95.04984	1.1
103.05466	5.1
104.06284	2.3
105.07037	62.5
106.07353	2.2
107.04990	2.0
107.08601	7.2
115.05450	2.6
116.06320	2.4
117.07022	14.4
118.07784	1.0
119.04954	61.1
119.08588	83.0
120.05284	1.3
120.08963	2.3
129.07034	2.1
130.07791	2.1
131.08574	2.9
132.05748	1.5
132.09355	6.5
145.10110	6.8
147.04433	21.6
147.08055	4.9
147.11700	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.62483	1.0
55.05517	8.6
56.34026	1.0
65.03935	2.2
67.05514	1.3
69.07060	3.6
71.21338	1.4
71.21657	1.1
79.05503	7.2
79.21870	1.0
88.84235	0.9
91.05489	44.9
92.05823	1.0
93.07087	1.7
103.05461	2.9
105.07040	73.7
106.07359	1.7
107.08604	8.2
115.05495	1.0
116.06227	1.8
117.07022	8.4
119.04968	11.3
119.08589	100.0
120.08930	2.3
129.07016	1.2
130.07753	1.2
131.08560	2.3
132.09328	4.0
145.10141	7.5
147.04433	4.5
147.08138	1.8
147.11703	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.8
62.57330	1.1
64.89368	1.1
65.03938	8.2
67.05512	1.8
69.07066	3.2
69.16058	9.9
77.03927	1.2
79.05501	7.2
81.07061	2.2
84.08138	1.2
91.05486	100.0
92.05812	1.6
93.07045	3.2
97.17463	1.2
102.82438	1.0
103.05479	4.1
105.07035	74.6
106.07354	1.8
107.04890	1.1
107.08602	3.1
115.05473	1.8
117.07021	10.4
119.04947	58.9
119.08584	97.9
119.83300	1.0
120.08923	2.8
122.24373	1.0
129.06995	1.9
130.07806	1.5
131.08551	2.0
132.09363	2.9
145.10114	6.2
147.04424	26.3
147.08063	4.6
147.11696	41.4
148.12062	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	149.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03951	1.4
54.86213	0.9
55.01867	3.5
55.05510	3.2
65.03944	51.8
67.05512	6.0
68.99792	1.1
69.07063	4.2
69.57092	6.5
78.03452	7.6
79.05499	15.5
79.05934	1.8
80.02625	1.6
80.05012	2.4
81.07062	16.0
91.05490	6.4
93.03418	12.5
93.05779	2.6
93.07053	20.4
95.04969	1.8
95.08598	3.4
96.04488	1.3
98.03696	1.2
103.05505	1.7
105.04525	1.5
105.07030	3.0
106.02921	33.2
107.04958	1.4
107.07410	1.2
107.08599	18.0
108.04468	9.1
109.06559	1.1
111.04465	5.5
120.04475	100.0
121.02878	55.7
121.03982	20.4
121.04804	2.4
121.06516	1.0
121.10133	5.3
122.03260	1.7
130.46700	1.1
134.02388	39.2
142.77049	0.9
148.03957	1.4
149.02354	96.1
149.04730	15.5
149.09621	3.4
149.13257	8.4
150.02696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.09353	0.7
53.03952	4.6
55.01864	2.4
55.05512	1.0
56.96304	1.1
56.96569	16.2
65.03945	49.2
67.05495	3.3
69.63028	2.1
69.63448	2.9
70.97816	0.8
77.03930	2.5
79.05498	43.3
81.03426	0.8
91.05484	12.8
93.03410	9.5
93.07050	32.7
94.06572	2.6
95.04972	5.6
97.81158	0.7
98.03683	1.0
98.21492	1.6
100.99152	1.0
102.03355	2.8
102.96874	0.7
103.05474	97.7
104.05776	2.2
105.04509	2.0
105.07042	2.2
107.04966	25.6
107.08591	1.7
111.04490	7.8
115.42971	0.7
119.00220	1.8
121.02872	58.9
121.03978	19.6
121.06509	16.5
121.07382	0.9
122.06038	1.6
123.07884	0.9
124.04623	0.9
131.04930	6.9
134.09172	1.0
148.99132	2.2
149.02353	100.0
149.05946	6.7
149.09674	1.8
149.11603	3.8
150.02658	2.7
150.05565	3.8
150.07758	2.5
163.83531	0.7
165.99477	0.8
167.00179	4.5
169.03487	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02388	1.3
53.03941	3.5
54.39696	0.9
54.39968	0.9
55.01869	2.1
65.03946	46.2
67.05503	1.2
69.07066	1.3
77.03915	1.2
79.05500	5.6
80.02636	1.3
81.07057	3.5
91.05469	5.3
93.03407	9.9
93.07059	9.1
95.04967	2.2
98.03712	1.3
103.05475	100.0
104.05814	2.1
105.04530	1.2
105.07043	2.8
107.04950	3.3
107.08598	5.7
111.04459	5.0
121.02875	45.4
121.03986	17.4
121.06515	2.0
121.10162	2.6
122.03195	1.2
131.04941	94.9
131.08594	2.1
132.05276	3.5
141.62015	0.9
149.02357	75.5
149.06006	3.1
149.09631	5.8
149.13313	2.5
150.02673	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	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02372	1.3
53.03946	3.8
54.46970	1.0
55.01872	2.4
55.05503	1.9
65.03941	51.1
67.05495	1.5
69.07060	1.9
70.13992	5.3
72.99839	1.0
77.03912	2.0
79.01862	1.0
79.05489	7.1
81.07054	3.2
82.38425	1.0
85.05596	1.2
89.03889	1.1
91.05489	8.6
93.03403	12.9
93.07054	13.6
95.04959	2.9
98.03657	2.8
103.05470	89.4
104.05793	1.8
105.04533	1.3
105.07031	4.6
106.04219	1.7
107.04977	1.6
107.08612	8.4
109.06570	1.6
111.04460	7.2
119.99610	1.1
121.02869	61.6
121.03979	23.0
121.06522	6.8
121.10160	7.6
131.04933	78.5
131.08647	1.4
132.05330	2.0
149.02350	100.0
149.05998	4.6
149.09631	6.8
149.13258	3.2
150.02689	2.1
150.05540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.03951	2.4
53.57956	0.7
55.01871	1.1
55.05514	0.9
64.59134	0.7
65.03945	28.7
65.52407	0.8
67.05509	1.5
68.99793	0.7
74.29670	0.7
74.67986	0.6
77.03940	1.0
78.90432	0.7
79.05507	4.1
80.02641	0.9
80.68456	0.7
81.07063	2.8
86.69606	0.7
91.05476	5.9
93.03400	6.4
93.07047	7.7
95.04981	1.8
98.03669	1.0
102.04678	1.1
103.05471	99.9
104.05800	2.7
105.07044	2.1
106.02926	1.7
107.04959	2.5
107.08590	4.4
111.04463	4.0
120.04479	3.2
121.02872	31.7
121.03979	11.1
121.06502	5.2
121.10168	2.7
121.70944	0.7
122.03265	1.4
131.04935	100.0
132.05270	2.5
134.02397	1.4
138.92677	0.8
149.02347	57.2
149.05910	3.5
149.09641	4.7
149.13281	3.0
150.02727	0.9
158.45570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
50.91483	0.8
53.03937	3.6
55.01869	1.5
55.05496	2.7
63.13311	0.9
65.03942	24.0
67.05513	4.3
69.07063	4.8
69.40807	1.5
69.41218	4.9
77.03924	1.7
79.05497	15.7
81.07059	19.3
83.08575	0.8
89.03954	0.9
91.05477	9.6
93.03401	4.5
93.07048	19.3
95.04964	3.2
95.08600	2.2
98.03655	1.0
103.05472	100.0
104.05797	2.5
105.04510	1.2
105.07039	4.5
107.04973	7.9
107.08601	16.6
111.04459	1.8
116.65373	0.8
120.05701	1.3
121.02870	23.6
121.03970	9.3
121.06514	3.7
121.10172	5.6
131.04933	89.5
132.05275	2.5
149.02353	43.6
149.06010	2.6
149.09648	5.5
149.13261	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	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71480	1.0
53.03942	4.0
55.01862	1.6
55.05505	2.0
65.03947	47.4
67.05497	1.5
67.15231	0.9
67.62135	1.1
69.03394	1.1
69.07063	2.2
77.03947	1.2
79.05505	6.4
81.07043	4.8
81.09404	1.1
81.71548	0.9
91.05479	8.6
93.03412	8.6
93.07047	13.5
95.04972	2.7
95.08604	1.5
98.21515	3.6
100.74070	1.0
103.05473	100.0
104.05804	1.8
105.04518	1.6
105.07020	3.9
107.04955	2.7
107.08607	6.7
111.04450	7.8
112.65962	1.2
119.08576	1.3
121.02871	54.5
121.03982	22.5
121.06509	4.6
121.10155	5.3
122.03149	1.2
131.04935	97.4
132.05252	2.6
149.02348	97.8
149.06001	4.6
149.09615	5.0
149.13268	4.0
150.02689	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	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02378	0.9
52.24467	0.7
53.03932	2.3
53.71726	0.8
55.01867	2.5
55.05507	1.5
56.80312	0.7
64.79802	0.7
65.03943	48.8
66.04268	0.9
67.05487	0.8
69.07095	1.8
70.42865	0.7
77.03925	1.1
79.05495	6.6
80.02658	1.2
81.07065	5.5
91.05474	6.3
93.03411	11.4
93.07048	13.9
95.04972	2.2
95.08604	1.1
98.03671	1.9
98.21535	2.0
101.12847	0.9
103.05473	69.7
104.05788	1.2
105.04527	1.2
105.07015	3.2
107.04938	2.1
107.08594	8.6
111.04444	5.6
119.08634	0.8
121.02869	58.7
121.03979	19.1
121.06510	2.8
121.10143	5.0
122.03231	1.0
131.04936	63.2
131.08603	1.4
147.85173	0.8
149.02350	100.0
149.05971	2.9
149.09628	5.3
149.13271	3.8
149.24629	0.8
150.02707	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03942	7.3
55.01859	3.6
55.05499	3.2
65.03625	2.0
65.03941	38.5
65.11208	1.2
67.05500	1.4
67.29431	1.4
69.07049	3.0
71.48035	1.4
77.03931	1.9
79.05498	28.4
81.07049	5.5
87.78627	1.1
91.05482	32.5
93.03400	7.5
93.07045	52.4
95.04968	5.2
103.05469	10.7
105.04533	3.0
105.07034	37.3
106.07840	7.0
107.04964	5.3
107.08613	11.5
111.04404	3.9
116.06253	4.0
119.08578	7.5
121.02866	39.2
121.03976	16.3
121.06512	9.6
121.10145	31.4
123.08052	2.3
131.04935	2.2
131.08583	4.4
133.07582	2.3
149.02347	74.1
149.06036	6.2
149.09619	100.0
149.13275	3.2
150.02724	1.3
150.09981	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03952	4.1
55.01862	1.2
55.05503	1.6
58.42042	0.8
65.03928	3.9
67.05505	1.3
69.03422	1.5
69.24631	5.6
69.25039	2.4
73.06776	0.8
79.05493	21.6
81.07046	2.6
84.53078	0.8
91.05484	27.4
93.07047	40.3
94.07374	1.2
95.04970	3.4
103.05452	6.8
105.04542	1.8
105.07036	32.7
106.07838	5.1
107.08564	5.1
108.62530	0.8
109.06516	1.5
115.05469	1.8
116.06212	4.4
119.08575	4.6
121.02869	3.4
121.04016	1.4
121.06493	2.9
121.10144	29.2
123.08056	2.3
125.26936	0.9
129.07053	1.1
131.08580	3.0
133.07600	2.8
134.07330	1.1
149.02356	5.5
149.09627	100.0
149.13223	2.3
150.10001	2.4
159.37494	0.9
160.17096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03941	5.3
55.01860	4.0
55.05503	3.3
62.77701	1.3
65.03947	31.6
67.05486	1.7
68.30404	1.4
69.03410	1.4
69.07060	2.1
69.27434	14.7
73.54433	1.4
79.05495	21.0
81.07049	4.0
91.05485	33.7
93.03403	5.2
93.07045	50.5
95.04964	4.5
95.08554	1.7
103.05485	9.2
105.04456	1.5
105.07035	32.8
106.07820	4.9
107.08582	10.0
109.06492	1.8
111.04445	5.0
116.06247	4.8
119.08569	7.2
121.02872	32.4
121.03986	13.6
121.06511	6.6
121.10152	30.5
122.06956	1.7
123.08054	2.4
125.99866	1.5
131.05005	1.6
131.08572	4.3
149.02353	57.6
149.06018	5.2
149.09627	100.0
149.13278	2.5
150.10071	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03941	4.7
55.01868	2.9
55.05507	3.6
59.73011	0.9
65.03948	18.5
66.85378	1.1
67.05499	1.7
69.07050	1.6
69.69950	5.5
69.80286	1.0
77.03938	1.1
79.05083	1.8
79.05504	24.3
81.07050	3.7
82.31199	1.1
91.05487	34.6
93.03426	3.4
93.07050	47.3
93.07645	2.4
95.04958	4.2
98.21500	1.8
103.05469	8.6
105.04536	2.5
105.07037	36.9
106.07815	4.1
107.04932	1.4
107.08607	6.6
111.04423	2.2
115.05432	2.6
116.06233	5.1
119.08577	7.0
121.02872	18.3
121.03984	7.7
121.06512	8.8
121.09335	2.2
121.10155	25.0
123.08108	2.3
131.08569	4.5
133.07587	1.9
134.07271	1.6
149.02364	30.5
149.06009	3.1
149.09631	100.0
149.13300	2.2
150.09999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.51922	1.4
53.03944	6.2
55.01861	5.0
55.05497	2.8
57.03437	1.6
57.07061	2.0
58.74063	1.4
65.03943	46.7
66.25702	1.4
67.05502	2.4
69.03424	2.9
69.07060	6.0
69.54072	9.6
78.04633	1.5
79.05490	23.7
81.07052	6.6
84.54465	1.4
91.05483	35.5
92.37283	1.3
93.02912	1.3
93.03412	10.3
93.07048	48.5
95.04993	3.9
98.03660	3.0
99.22904	1.7
103.05473	6.2
105.07037	41.7
106.07835	3.8
107.04961	2.9
107.08600	31.8
109.06503	4.2
111.04442	5.0
115.05479	2.1
116.06229	6.9
119.08588	10.5
120.09393	1.5
121.02876	53.6
121.03982	20.0
121.06516	10.2
121.10151	43.4
123.08081	2.2
129.07008	2.7
131.08574	7.1
133.07605	4.0
133.10144	4.2
134.07304	2.2
134.10898	3.0
143.08992	1.6
149.02351	100.0
149.06000	3.7
149.09624	72.3
149.13277	12.0
150.10118	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03947	7.2
55.01871	2.1
55.05518	11.3
56.05029	1.7
61.01144	2.0
65.03943	40.8
65.04286	2.4
67.05513	7.9
68.47040	1.3
68.99773	1.3
69.07067	14.4
70.55287	1.1
71.07343	2.5
72.21396	1.2
77.03914	3.0
79.05498	30.8
81.07061	29.9
83.08636	1.8
89.03866	1.3
91.04911	1.8
91.05483	38.6
93.03409	9.5
93.07046	100.0
94.07391	1.4
95.04972	5.1
95.08627	6.3
102.78452	1.4
103.05502	7.4
105.04506	1.6
105.07037	26.3
106.07835	2.0
107.08598	62.6
109.06532	1.8
111.04419	5.4
116.06284	1.9
119.06096	1.5
119.08614	6.8
120.56282	1.1
121.02871	40.6
121.03985	14.4
121.06512	5.1
121.10152	36.7
123.08080	2.1
131.04927	3.6
131.08598	3.0
134.07190	1.1
134.10881	2.1
149.02353	73.7
149.06038	2.6
149.08427	1.9
149.09634	38.4
149.13266	28.5
149.14395	2.1
150.02737	1.4
159.31004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03946	1.8
53.88686	0.8
55.05510	4.9
56.69313	0.8
57.07077	1.9
65.03943	11.8
67.05490	1.7
69.07075	5.3
69.29886	6.2
69.30292	1.7
69.62791	0.8
79.05492	14.3
81.07043	1.6
91.05483	16.4
93.03413	2.1
93.07043	18.8
95.04948	1.5
95.08578	1.9
103.05491	3.2
105.04539	1.0
105.07038	40.2
107.08603	38.0
109.06565	1.8
111.04463	1.7
113.07726	0.8
117.06910	0.9
119.06087	2.5
119.08589	12.1
120.09369	3.3
121.02878	12.3
121.03990	5.0
121.06541	2.0
121.10150	100.0
121.84075	0.9
122.10492	2.6
123.08076	4.6
131.04938	1.1
131.08519	1.0
133.07655	4.3
133.10127	2.4
134.10927	2.7
142.62785	0.8
149.02335	19.7
149.09666	5.1
149.13274	11.1
169.03502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.89825	1.4
51.77896	1.4
53.03946	3.4
55.01872	1.7
55.05508	4.5
57.07066	3.5
65.03947	36.2
67.05502	3.9
69.07073	8.1
69.84703	5.4
69.85109	3.5
75.72552	1.6
77.03923	1.9
79.05495	24.1
81.07053	10.5
83.08588	2.0
91.05486	30.6
92.05814	1.6
93.03391	8.2
93.07047	40.1
93.31279	1.4
95.04941	2.6
95.08594	3.6
96.59004	1.8
103.05465	8.5
105.04497	2.6
105.07029	48.6
106.07829	2.4
107.04965	3.3
107.08595	58.3
108.08922	1.5
109.06512	3.1
111.04434	4.0
119.06084	4.2
119.08588	15.6
121.02867	42.6
121.03978	13.6
121.06508	6.6
121.10148	100.0
122.10491	2.7
123.08053	4.5
131.04935	2.8
131.08575	2.3
133.07631	4.7
133.10149	2.9
134.10951	3.7
149.02347	65.8
149.05997	4.4
149.09630	19.0
149.13263	19.9
150.02679	2.5
151.66191	1.8
158.20430	1.5
158.61983	1.6
160.59964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03951	5.6
55.01854	3.9
55.05509	7.1
56.16662	0.8
65.03941	55.6
67.05508	13.5
69.07067	9.0
69.90462	3.9
77.03915	1.4
79.01864	0.9
79.05028	1.7
79.05492	33.8
81.03419	1.9
81.07056	36.5
83.08614	1.7
91.05477	18.6
93.03402	11.9
93.07047	46.1
93.07639	2.2
95.04960	3.9
95.08620	7.6
98.03662	2.3
103.05476	20.3
105.04506	2.1
105.07013	8.5
107.04225	1.3
107.04951	20.7
107.08597	34.6
111.04467	6.2
119.08566	1.3
120.05717	3.0
121.02862	57.8
121.03973	20.1
121.06492	5.8
121.10131	15.1
122.03193	1.4
123.08072	0.9
131.04942	15.1
149.02345	100.0
149.05957	3.4
149.09631	12.5
149.13264	21.2
150.02745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.6
55.01856	2.9
55.05517	4.5
64.80573	1.0
65.03941	53.5
67.05505	13.1
69.07078	7.8
71.08732	1.3
71.09066	1.8
79.05075	1.8
79.05497	26.0
81.06598	1.9
81.07059	37.4
81.07536	2.2
82.07413	1.6
82.07905	1.0
83.08616	2.7
91.05491	13.3
93.03407	8.5
93.07048	38.0
95.04965	1.4
95.08615	7.6
98.03679	2.1
103.05466	5.7
105.04527	1.6
105.07026	3.2
107.04951	2.7
107.08596	30.2
111.04445	6.4
119.06159	0.9
121.02868	61.1
121.03981	21.5
121.06475	2.2
121.10128	9.9
122.03182	1.2
131.04932	4.1
131.08551	1.4
144.90816	1.0
149.02348	100.0
149.08598	0.9
149.09581	5.0
149.13272	15.9
150.02682	2.3
150.13589	1.3
166.93153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03953	6.6
53.15873	0.6
55.01873	1.2
55.05513	2.6
56.02204	0.5
56.05028	1.3
61.01139	0.6
62.30526	0.4
65.03953	7.5
66.04282	3.1
66.75899	0.4
67.05509	36.2
68.05040	0.4
68.05839	0.6
69.03410	0.8
71.24992	0.9
72.93783	0.7
77.03917	1.2
79.05500	7.1
80.05009	1.4
80.05822	1.3
81.03426	2.2
81.07061	5.7
90.94822	0.6
91.05484	5.7
92.05824	1.3
93.05806	1.8
93.07048	3.4
94.06573	79.9
95.04976	5.1
95.06920	1.5
95.08631	4.1
96.04492	1.9
101.66535	0.5
104.05007	0.8
105.04533	0.9
105.07025	4.0
106.06564	21.7
106.07278	1.0
107.04978	0.6
107.07408	0.8
107.08606	2.6
108.04486	1.9
108.05190	0.5
108.08134	1.8
108.08942	2.3
109.06517	3.6
109.10180	2.0
111.04468	0.5
112.04842	1.1
113.69123	0.5
117.05824	0.5
117.06541	0.6
118.07866	0.6
119.04961	1.0
121.02880	1.5
121.04073	0.8
121.10123	0.7
122.03236	8.3
122.04312	2.5
122.06037	45.7
122.09707	1.1
122.10513	3.6
123.04467	1.2
123.08083	2.2
123.11728	1.4
127.07558	0.8
132.04437	0.5
132.08076	0.7
132.08961	0.9
132.10252	0.8
133.10030	0.9
135.04457	0.5
135.06841	0.8
148.03995	1.0
150.02739	20.2
150.05511	100.0
150.07829	2.9
150.09134	3.7
150.10208	5.9
150.11308	0.9
150.11536	0.8
150.12637	3.8
151.02859	0.7
151.03958	2.1
151.05948	2.4
151.07529	2.3
151.11201	5.1
168.06583	10.5
168.07983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	Methionine
Peak:m/z	Relative Intensity
50.86904	0.4
53.03944	0.9
53.34557	0.4
55.01874	1.2
56.05037	100.0
56.62725	0.4
56.96570	3.9
57.03432	1.8
57.05374	0.8
58.99582	0.9
58.99869	1.0
60.48298	0.4
61.01152	61.6
65.03932	1.1
65.05141	0.4
66.04287	1.1
67.05490	0.7
68.98286	1.2
69.03424	1.9
70.01659	1.6
70.06622	0.5
72.93787	0.5
73.02904	0.7
74.02040	0.6
74.02444	6.2
74.06081	5.7
74.99061	0.5
75.02715	0.9
79.00289	0.5
79.05459	0.4
79.52846	0.5
80.63370	0.5
81.03421	0.9
81.07048	0.6
82.01443	2.4
84.04512	5.1
84.08105	0.6
85.01093	0.6
85.02904	3.3
86.04951	0.5
86.99313	1.5
87.02699	13.5
87.52544	0.6
88.07619	0.6
90.94773	0.5
91.05492	0.6
94.06560	2.8
95.04968	1.2
96.01531	0.5
97.01379	1.8
97.02862	0.6
98.21534	0.4
98.97561	1.4
99.04465	0.5
100.02484	6.2
101.00805	1.9
101.02550	0.7
102.04871	0.9
102.05545	18.3
103.02448	1.0
104.05331	55.2
105.00272	0.9
105.03703	1.7
108.04445	0.5
109.02895	0.4
110.01270	0.5
115.01806	0.4
115.02451	5.8
116.98618	0.6
118.03484	1.9
119.01850	1.3
122.03175	2.4
122.04217	0.7
122.06048	2.2
122.06767	0.6
123.04395	0.7
123.07973	0.6
126.98711	1.3
127.02439	2.1
127.07050	0.9
128.02202	0.6
131.01875	1.0
132.05191	0.8
132.06549	0.5
132.10205	0.9
133.03198	36.9
134.03439	0.7
135.06757	0.6
144.99821	3.6
145.03473	11.5
150.02693	7.0
150.05652	5.5
150.07715	2.8
150.09082	2.0
151.03914	0.7
156.05026	0.6
163.00839	0.6
163.04497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03940	4.6
55.01863	5.1
55.03375	1.4
55.05513	12.8
57.03434	2.0
57.07069	4.3
59.05011	1.6
65.03928	5.9
67.05508	38.9
69.03088	2.2
69.03434	30.3
69.07063	5.5
70.46473	4.4
70.46838	1.8
71.43835	1.3
77.03890	2.4
79.05495	29.4
81.03429	2.2
81.07058	100.0
83.05000	2.3
91.05489	25.7
93.07050	31.4
94.06550	1.9
95.01384	1.6
95.04974	16.9
95.08613	42.8
96.04523	1.2
96.08136	12.7
97.06564	1.7
103.05456	2.7
105.03342	1.6
105.07030	37.7
106.06574	2.5
107.04952	4.9
107.08605	14.4
108.05730	6.1
109.06524	72.3
109.10160	20.0
119.04953	4.2
119.05981	2.0
121.06490	4.3
121.10170	3.0
122.07291	3.8
123.04453	4.2
123.08076	27.0
123.11710	22.2
124.07597	64.9
127.07549	4.4
133.06509	12.4
133.10138	13.6
136.03474	1.5
136.05194	3.5
136.08815	3.6
151.02907	2.2
151.04010	11.0
151.07550	78.0
151.11201	56.7
152.01579	1.5
152.07062	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	7.7
55.05319	1.7
55.05516	20.4
55.62833	2.1
57.03426	4.5
57.07061	2.7
59.04993	9.3
62.39253	1.9
64.77493	2.1
65.03942	4.8
67.05507	44.5
69.03445	13.2
69.07076	13.3
70.86598	5.1
71.04988	5.1
79.05499	31.6
81.03421	5.1
81.07062	100.0
82.46474	2.3
83.04974	3.1
84.32457	2.1
91.05489	45.1
93.07047	37.5
94.04192	2.6
94.33343	2.0
95.04972	32.8
95.08614	33.7
96.05743	3.6
96.08131	2.5
97.06496	2.9
103.05427	4.0
105.06311	3.3
105.07035	68.1
107.04951	5.9
107.08604	61.4
108.05750	6.0
109.06521	95.8
109.10162	72.5
115.05518	2.7
119.04947	5.8
119.06047	2.1
121.06518	8.1
121.10108	5.2
122.07277	2.9
123.04433	23.7
123.08079	47.4
123.11716	36.8
123.78844	2.1
125.01808	5.2
131.08595	4.1
133.06506	7.3
133.07500	2.7
133.10143	26.2
136.08830	6.9
151.02881	4.3
151.03917	13.6
151.05011	4.5
151.07579	28.9
151.08635	5.2
151.11191	86.7
152.05750	4.3
152.07016	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	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.64730	0.5
55.01885	0.9
55.05515	100.0
56.05847	1.3
57.03446	1.2
57.07081	2.1
59.05002	2.2
59.11845	0.5
59.33215	0.6
64.07104	0.5
65.03941	1.9
67.05510	21.0
69.01003	0.5
69.03432	2.1
69.07075	3.1
71.38166	0.7
79.05067	1.0
79.05494	11.0
81.03439	0.6
81.07060	43.4
83.04969	0.6
91.05485	9.3
93.07045	9.6
95.04969	12.3
95.08611	10.3
97.06538	16.0
101.41117	0.5
103.05478	0.6
103.35222	0.6
105.07045	11.9
107.08591	12.4
108.09457	0.6
109.06520	13.8
109.10162	19.0
110.07298	0.8
114.32613	0.5
119.04959	0.7
121.06544	1.2
121.10147	2.1
123.04435	1.0
123.08080	5.6
123.11708	14.9
124.07623	0.7
124.12072	0.7
125.09705	0.7
131.08557	1.0
133.06523	1.0
133.10124	5.7
136.08835	1.3
146.19348	0.5
151.02818	0.9
151.03918	3.4
151.07570	6.8
151.09978	1.2
151.11198	24.4
152.11562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03948	5.1
53.64730	0.5
55.01885	0.9
55.05515	100.0
56.05847	1.3
57.03446	1.2
57.07081	2.1
59.05002	2.2
59.11845	0.5
59.33215	0.6
64.07104	0.5
65.03941	1.9
67.05510	21.0
69.01003	0.5
69.03432	2.1
69.07075	3.1
71.38166	0.7
79.05067	1.0
79.05494	11.0
81.03439	0.6
81.07060	43.4
83.04969	0.6
91.05485	9.3
93.07045	9.6
95.04969	12.3
95.08611	10.3
97.06538	16.0
101.41117	0.5
103.05478	0.6
103.35222	0.6
105.07045	11.9
107.08591	12.4
108.09457	0.6
109.06520	13.8
109.10162	19.0
110.07298	0.8
114.32613	0.5
119.04959	0.7
121.06544	1.2
121.10147	2.1
123.04435	1.0
123.08080	5.6
123.11708	14.9
124.07623	0.7
124.12072	0.7
125.09705	0.7
131.08557	1.0
133.06523	1.0
133.10124	5.7
136.08835	1.3
146.19348	0.5
151.02818	0.9
151.03918	3.4
151.07570	6.8
151.09978	1.2
151.11198	24.4
152.11562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.99858	0.5
53.03941	3.6
55.01866	2.3
55.05512	9.5
57.03431	2.3
57.07069	4.1
59.04995	1.1
60.45564	0.6
65.03939	2.9
67.05503	25.6
69.03431	11.0
69.07071	3.3
70.90350	1.6
70.93874	0.5
71.05007	3.0
77.03934	1.4
79.05497	18.2
79.19493	0.6
81.03432	2.7
81.07054	100.0
82.07394	1.7
83.04992	1.5
85.06538	0.6
91.05479	22.8
92.05816	0.6
93.07043	61.6
94.07353	1.7
95.04967	21.3
95.08610	20.5
95.09085	0.5
97.06537	1.4
103.05446	0.9
105.04513	0.8
105.07030	34.7
107.04951	1.1
107.08594	21.0
108.02101	1.0
108.05724	2.2
109.02880	0.7
109.06518	37.7
109.09393	1.5
109.10152	17.2
110.05982	0.7
115.05507	0.6
119.04942	1.8
121.06478	1.8
121.10130	4.3
122.07343	0.6
123.04455	1.3
123.05597	0.8
123.08065	24.8
123.11702	26.8
124.07586	1.6
131.08553	1.7
133.06467	2.7
133.10130	40.0
134.10474	1.0
136.05263	0.6
136.08826	2.1
141.05473	0.6
151.02872	0.9
151.03897	5.4
151.05046	2.0
151.07558	14.4
151.11180	96.9
152.07030	0.8
152.11528	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01864	1.1
55.05513	3.2
57.03428	0.4
57.07068	1.2
59.04994	0.9
65.03951	0.8
67.05509	8.6
69.03443	2.5
69.07059	1.1
70.46661	1.3
70.47002	0.5
70.92809	0.4
71.92052	0.4
74.13995	0.4
76.99862	0.4
77.36520	0.4
79.05491	4.9
81.03437	0.9
81.07059	16.0
81.62659	0.4
84.83382	0.4
89.29018	0.5
91.05484	6.5
93.07043	5.8
95.04970	4.5
95.08607	4.6
97.06532	1.3
97.68145	0.4
98.21428	0.5
103.05481	1.1
103.61381	0.4
105.03410	0.4
105.07041	10.0
106.15781	0.4
107.04927	0.5
107.08604	6.5
108.05695	1.0
109.05807	0.9
109.06529	14.2
109.10159	9.9
119.04897	0.5
119.06100	0.6
121.06497	0.9
121.10126	2.5
123.04406	0.6
123.08086	6.2
123.11732	3.3
124.07604	1.8
126.02270	0.4
131.08604	1.1
133.06549	0.5
133.10146	5.2
136.05231	0.6
136.08823	1.9
151.03908	1.8
151.07701	2.7
151.11191	100.0
152.07066	0.6
152.11533	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.52456	0.8
53.03935	3.4
55.01870	2.0
55.05274	1.0
55.05514	13.2
57.07060	1.9
59.04993	1.7
61.42437	0.9
65.03938	2.7
65.97628	0.8
67.05510	14.0
69.03429	3.5
69.07071	2.5
70.33508	0.8
71.02983	1.5
71.03322	1.0
71.05012	1.1
79.05493	9.1
81.03428	2.1
81.07060	28.7
83.04996	1.3
85.63966	0.9
91.05492	13.4
93.07042	10.6
95.04975	12.5
95.08620	12.3
97.06542	2.2
98.21525	1.0
101.10683	0.9
103.05446	1.3
105.07041	19.2
107.08594	10.0
108.05767	1.4
109.06525	22.5
109.10158	16.5
119.04926	2.8
121.06521	2.2
121.10152	2.5
122.07253	1.3
122.22788	0.9
123.04430	1.6
123.08092	11.0
123.11713	6.9
124.07616	1.9
133.06488	2.4
133.10147	8.4
136.05228	1.5
136.08846	3.3
142.39178	1.0
151.03931	6.2
151.04968	1.8
151.07576	12.6
151.11195	100.0
152.07143	1.1
152.11548	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	2.0
55.01862	1.2
55.05515	3.7
57.03444	1.0
57.07059	1.6
58.72009	0.5
59.04999	1.1
62.91589	0.5
65.03937	1.7
67.05510	12.0
69.03436	2.4
69.07069	2.8
69.78880	0.9
69.79301	1.9
70.05356	0.4
71.04974	0.6
71.27080	0.4
78.04733	0.5
79.05508	6.6
81.03419	1.0
81.07060	22.1
83.04986	0.5
91.05492	10.0
92.31253	0.5
93.07045	7.9
94.04189	0.7
95.04980	7.5
95.08614	9.1
96.08128	0.8
97.06519	1.4
98.21451	0.6
103.05473	0.5
105.07036	13.6
107.04942	1.2
107.08602	8.9
108.05740	2.1
109.06524	17.9
109.10159	14.5
119.04945	1.6
119.06058	0.7
119.48071	0.5
121.06503	1.6
121.10144	2.1
123.04485	0.8
123.08083	8.7
123.11726	5.0
124.07584	2.2
128.02386	0.7
133.06386	0.6
133.10149	6.5
136.05177	1.5
136.08820	1.9
151.02866	1.1
151.03915	4.7
151.05083	1.1
151.07590	7.2
151.11191	100.0
152.06981	0.9
152.11520	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	152.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32681	0.4
53.03935	0.8
55.01862	0.8
55.05515	0.8
56.96568	40.4
57.03436	2.7
57.07077	5.6
61.02921	1.8
65.03949	2.8
67.05185	0.7
67.05511	8.6
68.00259	0.4
68.05819	0.7
69.03432	5.2
69.07053	0.4
70.06593	0.8
70.60900	0.8
70.98112	0.8
71.01344	0.6
71.04978	0.6
71.95273	4.5
72.08169	0.9
72.96042	0.7
73.02921	3.4
74.97617	0.6
75.46784	0.4
79.05492	2.4
81.01019	0.6
81.03413	1.8
81.05774	0.5
81.07059	0.9
82.04086	0.5
82.06577	0.5
83.04979	0.7
84.08134	2.1
84.96046	2.8
85.02904	5.2
85.06549	5.6
87.04453	0.7
89.00787	1.1
89.02597	1.0
90.01554	0.7
91.05485	0.5
93.03416	1.2
93.07050	1.1
93.52571	0.4
94.06579	0.6
95.00737	0.6
95.04987	0.8
96.01559	0.7
96.08135	1.4
97.02884	4.4
97.06496	0.4
98.01309	0.8
98.03136	1.7
98.97589	100.0
99.97932	1.5
101.00759	0.9
102.53142	1.3
103.05507	0.4
103.43906	0.4
106.01048	0.4
106.06544	2.2
107.01852	0.4
107.02580	0.6
107.04972	3.5
108.03354	0.9
108.04475	0.6
109.02888	0.8
109.05181	0.9
110.01301	0.7
110.03571	4.5
110.06042	1.0
110.51469	0.9
110.97575	23.3
111.04458	1.2
111.53665	1.1
112.07608	1.4
112.99156	0.5
115.00687	1.2
116.03102	0.8
116.98627	29.0
117.03851	0.7
117.98981	0.8
118.01060	0.7
119.01845	2.0
119.52018	0.4
119.97348	0.5
121.06503	2.9
124.03956	0.6
124.07616	2.4
124.99127	0.9
125.03578	0.4
125.05978	0.8
126.58644	0.4
127.03922	1.1
128.02332	1.1
128.04546	1.8
128.52527	0.4
128.98616	18.9
129.02232	0.8
130.08661	0.7
130.99144	0.3
131.00163	0.7
134.04613	0.6
134.06021	5.6
134.99666	4.7
135.03030	10.3
140.00237	0.5
141.02225	5.1
141.03200	0.4
143.00162	1.2
146.97597	0.4
146.99669	7.1
147.03326	0.9
152.01659	1.1
152.05701	40.3
152.06985	9.7
152.10718	1.5
152.98630	1.6
153.04094	10.6
153.05360	0.6
155.00293	0.5
157.01854	0.5
158.99673	13.4
159.03291	8.5
159.99980	0.5
160.03706	0.5
161.01306	0.9
161.02901	0.4
161.04686	1.3
161.58072	0.4
165.00671	0.5
170.99706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
51.77628	0.2
52.08020	0.2
53.03947	0.7
55.01869	0.9
55.05515	1.4
55.23706	0.2
65.03949	0.9
67.05508	1.9
68.05028	0.5
68.05831	0.2
69.03429	0.4
69.07066	0.7
69.76820	1.2
70.94274	0.2
79.05495	6.1
80.05015	0.7
80.05830	0.4
81.05801	3.9
81.07058	11.2
82.02927	0.2
82.06596	0.6
82.07397	0.6
83.04965	0.5
83.08613	0.3
89.90469	0.2
91.05480	0.8
92.05846	0.3
93.03415	0.4
93.07040	1.0
94.06568	2.1
95.04964	1.7
95.08588	0.5
96.04518	1.1
96.05093	0.2
96.08131	18.5
97.06517	0.4
98.20833	0.2
102.82658	0.2
103.05452	0.3
106.06552	2.7
106.07302	0.4
107.04967	0.8
107.08578	0.8
109.06507	0.5
109.10160	0.6
110.03626	0.3
110.06052	0.9
110.06762	0.2
110.10506	0.4
111.04459	0.6
111.08088	0.3
111.96871	0.3
121.06506	2.8
124.07591	100.0
125.05980	0.4
125.07927	1.6
125.09668	0.2
134.06006	0.9
134.10513	0.3
135.04410	0.2
135.08069	0.3
137.04791	0.2
148.11711	0.2
152.01642	0.4
152.07062	24.2
152.11542	0.7
153.05444	0.4
153.07352	0.3
153.09114	0.7
153.12709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96496	0.3
53.03930	0.6
55.01873	1.3
55.05509	1.5
65.03938	0.8
67.05510	2.3
68.05041	0.5
68.05836	0.4
69.07066	0.6
69.86165	1.1
70.06599	0.3
70.94259	0.4
75.04490	0.3
79.05019	0.3
79.05489	6.9
80.05023	0.7
80.05811	0.3
81.03419	0.6
81.05801	3.5
81.07053	11.8
82.06580	0.4
82.07377	0.6
83.04964	0.7
83.08650	0.4
91.05495	0.9
92.05842	0.5
93.03405	0.6
93.07045	1.2
94.06572	1.8
95.04974	1.7
95.08616	0.5
96.04499	1.2
96.08131	18.6
97.06541	0.7
102.72534	0.2
105.04533	0.3
105.61458	0.2
106.06550	3.0
106.07291	0.4
107.04916	1.2
107.08583	1.2
108.08913	0.3
108.43819	0.2
109.05272	0.4
109.06543	0.7
109.10142	0.6
110.06039	0.6
110.10471	0.3
111.04453	0.9
111.08080	0.6
111.96853	0.3
121.06516	2.6
124.07591	100.0
125.05996	0.5
125.07941	1.6
125.09633	0.3
134.05998	0.8
135.08078	0.5
135.11719	0.3
152.01646	0.5
152.07065	23.0
152.11674	0.4
153.05434	0.7
153.07329	0.3
153.09128	0.8
153.12715	0.7
157.70667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
51.02373	1.0
53.03948	5.2
55.01874	4.8
55.02085	0.8
55.05512	20.9
56.31897	1.1
56.96547	1.3
57.03424	4.0
57.07070	2.6
61.02929	46.4
61.50714	0.8
65.03941	60.8
66.04270	0.8
67.05508	10.6
68.99811	1.1
69.03423	3.5
69.07068	7.3
70.94245	2.4
70.95858	1.1
71.04996	4.6
71.48297	1.0
73.06544	2.4
79.05494	37.9
80.05796	1.4
81.03421	1.4
81.07063	16.7
82.04173	2.1
83.04984	30.4
89.70705	1.0
91.05479	4.9
93.03408	29.7
93.07047	11.2
94.80151	0.8
95.04971	64.4
95.08624	6.7
97.06540	11.0
105.04504	2.2
105.07023	1.8
107.04959	33.4
107.08596	15.8
108.08129	1.7
109.06512	15.5
109.10165	5.9
110.03661	16.7
110.09679	3.1
111.04456	24.6
111.08081	11.7
111.96868	2.1
121.02866	20.5
121.03967	5.0
123.04430	2.9
125.06001	37.9
125.09633	2.5
130.96274	1.6
135.08073	4.3
135.11700	4.9
137.02345	26.1
138.03130	33.7
153.05469	100.0
153.08997	5.3
153.12724	9.7
153.13834	1.7
154.05849	2.4
154.08629	1.4
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	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.74916	0.9
51.90152	0.8
53.03939	4.0
55.01870	6.7
55.05516	31.9
57.03445	7.4
57.07077	1.5
59.04984	2.9
65.03670	0.9
65.03952	8.6
67.05512	14.2
68.99803	1.9
69.03432	17.3
69.07061	6.8
71.04989	2.9
71.23324	1.5
71.23647	1.0
77.03912	1.2
79.05498	28.9
81.07057	18.2
83.04987	67.9
83.08614	3.9
87.86179	0.8
91.05486	26.7
93.03389	2.8
93.07047	31.3
94.07366	1.1
95.04972	100.0
95.08607	3.8
96.05315	1.3
97.02896	1.1
97.06539	8.1
99.04470	1.1
105.04526	1.4
105.07032	11.0
107.04949	2.1
107.08601	67.8
108.08886	1.5
108.58105	0.8
109.06521	42.9
109.10172	5.3
111.04473	6.8
111.08084	76.2
111.96793	0.9
112.08388	1.5
114.54292	0.9
117.07003	2.3
119.06050	3.3
121.06503	1.3
125.05985	3.8
125.09637	40.6
135.08067	16.3
135.11694	1.7
139.07550	7.0
153.05495	2.5
153.09125	21.8
153.12827	4.4
154.08647	4.9
154.09758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80631	0.3
53.03718	0.3
53.03945	2.0
55.01877	2.3
55.05513	8.9
55.48917	0.3
57.03440	5.3
57.07066	1.2
58.06606	1.4
59.04998	1.1
61.02610	0.4
61.02927	11.3
65.03941	18.3
65.80620	0.2
66.04286	0.3
66.90569	0.2
67.05508	7.7
68.69055	0.2
68.99800	0.4
69.03429	1.0
69.07071	3.9
70.94271	1.4
70.95863	0.3
71.04996	3.9
71.18204	0.4
73.06553	1.8
77.03940	0.5
79.05494	15.5
81.03424	0.4
81.07056	15.1
82.04211	0.5
82.06577	0.4
83.04980	9.4
83.08624	0.9
91.05493	4.2
92.57526	0.3
93.03411	7.6
93.06561	0.2
93.07045	9.1
95.04970	100.0
95.08617	3.3
96.05308	1.5
96.08118	0.4
97.06529	8.3
105.04525	0.9
105.07017	1.2
107.04955	9.0
107.07879	0.5
107.08597	10.7
108.08116	2.1
108.08858	0.6
109.06520	17.6
109.10150	3.5
110.03663	5.5
110.09681	8.5
111.04450	6.7
111.08081	7.6
111.96873	0.7
117.07001	0.6
121.02868	6.2
121.03966	1.2
123.04399	0.5
125.06003	9.5
125.09608	1.6
130.96326	0.4
135.04451	0.7
135.08038	2.5
135.11702	3.8
136.07567	0.4
136.11234	1.6
137.02336	7.2
138.03130	8.7
153.01895	0.9
153.05473	27.8
153.09068	2.9
153.10202	0.5
153.12764	4.4
153.13850	0.6
154.05931	0.6
154.08572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03930	2.4
55.01869	2.4
55.05514	13.9
57.03437	5.6
57.07061	2.3
59.04988	1.6
65.03944	9.2
66.04755	0.6
66.75595	0.6
67.05143	0.9
67.05508	36.0
69.03436	3.2
69.07070	53.6
70.07401	1.0
70.94265	6.4
70.95879	3.2
71.04980	2.7
71.49221	0.7
71.94098	2.2
71.95253	1.7
78.71443	0.6
79.05494	32.3
80.05817	0.8
81.03378	0.7
81.07057	43.2
82.07372	0.8
83.04987	8.4
83.08630	6.1
85.06530	1.2
87.65305	0.6
88.95288	2.4
88.96894	0.7
91.05479	7.5
93.03418	5.9
93.07044	49.4
94.07362	1.6
94.89065	0.6
95.04982	6.1
95.08610	22.2
97.02894	1.0
97.06532	23.5
104.58476	0.6
105.07016	2.5
107.04964	3.1
107.08597	52.1
108.08919	0.7
109.06525	2.2
109.10160	36.4
110.03636	1.9
111.04481	9.7
111.08092	8.1
111.96896	4.0
112.04774	1.2
112.96761	0.7
117.06972	0.7
122.06841	1.3
122.86131	0.7
125.06002	5.5
125.09582	0.9
126.05510	0.8
126.06355	1.5
129.97908	1.6
135.04408	1.0
135.08043	2.3
135.11694	100.0
136.03960	0.8
136.07588	0.6
136.12029	2.3
136.29234	0.6
138.05103	1.2
153.01894	0.8
153.05539	5.4
153.07516	4.7
153.09119	2.7
153.12749	81.3
154.04961	2.5
154.09737	0.9
154.13078	1.6
154.15854	1.0
155.94006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00286	2.0
53.03946	6.7
55.01862	7.9
55.05278	2.0
55.05516	32.6
57.03444	3.8
57.07089	2.6
57.90884	1.8
59.04995	7.5
65.03959	8.4
67.05511	12.5
69.03455	4.2
69.07068	16.8
69.95265	7.8
71.04993	30.7
73.06565	17.9
75.65387	1.9
79.05495	37.7
81.07063	100.0
82.07404	2.0
83.04987	30.7
83.08619	3.2
85.06535	2.2
91.05492	13.4
93.03391	8.1
93.07050	41.6
95.04971	33.8
95.08627	9.6
97.06530	23.2
107.04961	5.0
107.08603	45.2
108.08116	2.4
109.06544	10.4
109.10152	9.1
110.09668	3.6
111.04430	6.4
111.08057	13.2
119.08588	2.2
125.05984	7.1
125.09641	4.3
135.04433	2.4
135.08061	4.2
135.11690	29.4
136.07597	3.9
153.05473	10.0
153.09132	4.2
153.12793	15.0
154.08698	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03955	4.5
55.01870	4.3
55.05515	19.3
57.03438	4.8
57.07061	1.9
59.04990	3.9
65.03944	21.9
67.05509	20.3
68.05822	1.0
69.03441	8.3
69.07073	20.9
69.43738	2.8
69.44146	3.4
70.94269	5.3
70.95862	1.1
71.04983	3.3
73.06527	0.9
77.46026	0.8
78.23371	0.9
79.05077	1.3
79.05502	24.2
80.64393	0.8
81.03448	1.1
81.06594	1.4
81.07057	21.5
82.04237	0.9
83.04494	1.5
83.04987	25.5
83.08616	5.4
85.06541	1.1
85.46978	0.8
88.95309	1.3
91.05485	19.9
93.03413	15.8
93.07048	71.4
95.04975	82.1
95.08611	51.7
96.82358	0.9
97.02902	1.3
97.06540	18.8
98.21493	1.8
105.04501	1.2
105.07026	4.9
107.04984	5.5
107.08599	100.0
108.08931	1.1
109.06526	17.6
109.09475	1.6
109.10159	21.7
110.03666	3.5
110.06036	1.4
111.03729	1.5
111.04451	23.3
111.08086	30.6
111.96867	2.1
115.05400	0.9
117.07051	1.3
119.06102	2.3
125.06004	13.8
125.09632	16.0
129.97823	1.1
135.04402	2.4
135.08075	11.1
135.11694	33.9
135.12737	1.9
136.03996	1.0
136.07582	1.1
138.03120	2.0
153.01923	2.9
153.05473	9.2
153.06960	2.5
153.09120	12.8
153.10201	1.8
153.11531	1.6
153.12753	26.8
154.05023	1.9
154.08614	2.2
169.25203	0.8
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
52.81700	0.4
54.78678	0.5
55.01862	0.6
55.05512	6.4
56.05050	0.7
56.05840	0.7
57.07078	16.4
57.16248	0.4
59.35979	0.4
65.03938	0.5
67.05499	1.5
68.70026	0.4
69.03418	0.8
69.07047	0.8
69.59196	2.7
70.06596	1.0
72.93781	1.5
76.63766	0.5
79.05492	2.8
81.07060	9.2
82.06566	1.7
82.07372	0.7
83.04978	1.3
83.07347	0.7
83.08607	2.3
84.04488	0.6
84.05298	1.0
84.08142	0.8
85.06551	3.4
91.05502	1.2
92.05026	0.5
92.05790	0.8
93.05822	0.6
94.07377	0.6
95.04983	1.6
95.08595	1.2
96.04498	1.1
96.05298	1.1
96.08125	0.6
97.05286	2.3
97.06510	0.5
98.06033	2.0
98.09690	2.4
98.21478	1.0
99.08099	0.6
108.08113	3.3
108.08892	1.1
109.06513	6.0
110.06052	4.6
111.06847	3.9
112.08417	2.0
113.96413	0.5
121.06509	1.0
124.07626	0.6
125.08340	1.1
126.09150	3.1
126.09983	0.8
130.96292	0.7
136.07573	1.2
137.13272	0.5
137.68930	0.5
139.06311	4.4
139.07553	6.0
154.08635	100.0
155.08932	2.0
156.79109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01861	1.8
55.05505	0.8
55.93514	1.4
56.96568	18.0
57.03442	3.7
58.99867	3.3
61.02909	1.3
67.05495	1.0
68.98280	0.7
69.03436	3.4
69.20587	5.4
69.96183	1.1
70.06581	1.8
70.95861	2.1
70.98114	2.2
70.99861	5.2
71.01366	0.9
71.04991	1.0
71.94067	0.7
71.95259	0.8
72.08127	0.6
72.93797	5.9
73.02914	2.7
74.00266	0.6
74.09729	1.0
74.25659	0.6
75.01030	1.8
77.00914	1.2
78.52956	1.4
81.03426	2.7
81.07047	0.7
82.01440	8.8
82.05305	1.1
82.99843	5.4
83.00771	2.1
83.04977	1.7
83.06100	4.1
84.01566	1.8
84.08167	0.9
85.01403	2.2
85.02899	3.9
86.06054	2.1
86.99300	0.9
87.39054	0.5
89.00829	2.2
90.01552	0.6
90.94855	1.4
91.02435	0.9
91.05487	0.6
92.01303	0.6
93.02038	1.6
93.04527	2.5
94.99830	2.7
95.00764	1.2
95.01295	0.6
95.04974	0.6
95.06087	3.0
95.53499	0.5
96.01553	2.1
96.04490	2.7
96.06414	0.8
97.02886	4.0
97.99184	0.6
98.01306	0.8
98.97588	7.9
99.04457	1.7
100.00055	0.5
100.01888	0.6
100.02483	15.7
100.06702	0.6
101.00887	40.4
102.00962	1.5
102.01596	1.0
102.02316	0.8
103.00607	0.9
103.02453	3.8
104.01315	0.9
105.00397	0.9
105.02063	1.2
107.04933	1.6
108.01527	1.0
109.02197	0.8
109.02893	2.2
109.06536	1.0
110.01306	1.8
110.07171	34.4
110.97572	1.9
111.02053	1.9
111.04436	0.8
111.98489	0.7
113.00874	40.9
113.06003	0.8
113.96414	3.2
114.00951	5.1
114.04005	3.3
114.05544	0.7
115.00570	0.7
115.01260	0.7
115.02448	3.3
116.98653	1.4
117.02036	0.9
117.68695	0.5
118.01138	1.0
118.02787	0.8
118.03522	3.5
119.01923	55.0
119.97304	0.7
120.02032	1.9
121.01664	1.1
121.03452	1.6
124.02449	3.5
126.03932	0.8
127.02393	0.8
127.03943	1.9
128.98602	2.0
131.00235	2.7
131.01912	100.0
131.53224	0.6
131.96152	4.9
131.97406	0.8
132.01955	10.8
132.05034	6.0
132.95825	3.3
133.01678	1.5
133.02519	0.5
133.03452	8.8
134.03607	0.7
137.00912	0.6
137.03029	4.9
138.09140	3.2
140.51344	0.6
142.03497	14.4
143.01884	0.8
143.53175	1.5
145.03481	2.9
146.03645	0.7
146.99657	0.6
147.03122	0.8
147.05034	0.9
149.01263	2.8
149.02966	10.5
149.04158	0.6
149.51904	0.8
149.53087	0.6
149.97186	2.8
150.06065	1.3
150.96870	3.0
151.04518	2.4
152.53714	1.1
154.03488	1.4
155.00362	0.7
155.01904	12.8
155.03551	3.0
155.07011	1.5
155.08153	0.9
155.09276	2.4
155.11842	2.5
156.04173	2.9
156.07709	2.6
156.10208	15.0
156.11200	0.6
157.03578	0.8
158.03717	1.4
160.04576	2.1
165.04062	0.8
167.02226	0.8
173.01427	1.0
173.02956	11.3
173.04341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73333	2.2
53.03949	4.4
54.93824	2.4
55.01869	4.0
55.05512	35.5
55.93525	3.6
56.05858	2.0
56.96568	100.0
57.03433	9.6
61.02924	6.9
65.99606	1.9
67.05507	5.1
69.03431	12.6
69.96174	10.0
70.03730	2.7
70.28194	4.1
70.28601	7.5
70.95867	46.4
71.04988	3.8
71.31302	2.1
71.94112	4.4
72.93791	58.7
73.02931	10.1
73.06557	26.5
81.03432	11.6
81.07043	4.8
83.02591	4.3
83.04973	9.1
83.06125	2.0
84.01577	2.8
84.08122	2.2
84.96043	3.7
85.02904	14.2
87.04469	3.0
88.96901	5.4
89.00766	3.5
90.94827	11.8
95.04990	4.9
97.02894	13.7
98.97587	91.0
99.97935	3.2
101.00890	11.0
102.03361	5.4
104.03084	4.1
107.04285	4.2
107.04955	31.6
108.03326	3.1
108.05276	14.5
109.02888	6.9
110.01291	7.1
110.07165	16.3
110.96886	3.9
110.97556	15.1
111.03810	5.2
111.04492	4.1
111.08103	4.2
111.98473	15.0
112.99171	3.1
113.00888	17.6
113.95151	3.5
113.96403	17.2
114.94881	2.6
115.02384	4.8
116.98629	16.5
117.03863	2.9
119.01837	15.2
119.97319	7.2
127.03925	7.8
128.02327	3.4
128.97835	7.1
128.98643	6.4
129.02235	12.4
129.99527	5.4
131.01901	29.1
131.96152	37.5
131.97433	5.6
132.02039	3.1
132.95839	78.3
133.03406	2.8
134.99623	3.4
136.93129	2.6
137.98332	4.0
139.01202	2.1
140.48628	2.8
140.51395	3.7
143.00153	3.6
144.05260	2.7
145.01678	2.7
145.03389	3.4
146.04106	7.0
147.03308	25.8
149.97176	23.4
150.96886	51.3
154.90817	3.3
154.94157	2.4
155.00208	4.6
155.01843	6.1
155.03416	4.7
155.04666	46.5
155.07054	6.7
155.09242	5.1
155.11823	2.8
155.54776	4.1
156.10144	3.0
156.11356	2.3
158.99675	34.6
164.05157	11.2
165.04234	9.6
173.01292	3.9
173.02924	3.8
173.98488	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72007	0.6
53.03961	5.6
55.01852	2.0
55.05514	7.1
55.69877	0.9
55.93512	2.7
57.03426	3.2
57.07077	100.0
59.04972	1.1
60.90554	0.7
61.79726	0.7
65.03921	3.4
65.93311	0.7
67.01883	0.8
67.05188	1.0
67.05509	15.2
68.99789	1.2
69.03418	3.2
69.07059	4.6
70.06579	1.7
70.95866	12.0
70.98972	0.7
71.04994	8.4
71.08638	0.9
71.48697	0.9
72.93790	48.8
73.93813	0.7
77.03906	0.9
79.05489	9.6
81.03413	2.0
81.07057	44.2
82.06573	1.5
83.05003	6.3
84.08128	1.4
85.02911	4.3
85.06544	28.5
86.06053	1.6
88.96891	1.8
90.94827	11.5
91.05470	2.6
93.07053	4.5
95.04384	1.2
95.04971	24.0
95.08611	12.3
96.04475	1.1
96.08134	1.4
97.02876	1.2
97.05306	0.8
97.06517	4.1
98.98476	1.5
99.04459	5.3
99.08102	2.0
105.04518	2.2
106.06557	1.8
107.08586	0.7
109.02867	2.3
109.06519	27.5
109.07270	1.3
109.10166	7.7
110.06008	2.0
110.07173	1.3
110.09663	1.8
111.04440	5.7
111.08082	2.6
111.98479	5.3
112.01576	1.7
112.64529	0.7
113.02358	1.8
113.06007	5.1
113.96410	24.9
123.04433	10.0
124.07603	8.7
125.02350	3.5
126.09187	1.6
127.03922	9.8
127.07544	2.7
129.99503	0.9
131.96150	2.8
131.97418	11.5
132.95833	16.4
137.02319	2.1
137.05978	6.2
137.09605	4.2
137.13249	1.1
138.09135	3.8
139.07558	0.8
140.04684	12.8
146.14815	0.8
149.97238	1.8
150.96889	16.3
155.03442	4.3
155.04507	1.2
155.07043	15.0
155.08455	2.1
155.10663	3.1
155.14265	4.7
155.97441	1.3
156.10220	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	155.143
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.03949	0.5
55.05517	3.3
55.93516	1.0
56.05861	0.4
56.96561	0.6
57.03422	1.8
57.07077	100.0
57.40712	0.4
58.07404	1.1
58.74956	0.4
59.04984	0.7
66.96484	0.4
67.05512	4.6
69.07066	2.3
69.21567	4.1
70.95847	1.3
71.04979	1.6
71.08627	1.3
72.93794	7.3
78.57285	0.4
79.05482	1.3
81.07057	10.8
81.82735	0.4
83.04977	1.1
83.08609	1.1
85.06545	20.4
90.94843	1.0
93.07050	1.2
95.04959	1.7
95.08065	0.6
95.08617	6.7
97.06522	0.8
97.10136	0.6
98.98442	0.5
99.04440	0.7
99.08086	2.2
107.08563	0.7
109.06493	1.4
109.10153	4.0
109.83154	0.5
110.05994	0.6
111.98486	0.8
113.05988	0.7
113.96392	4.1
129.29562	0.4
131.30258	0.4
131.97440	1.6
132.95819	2.2
137.05975	0.5
137.13249	1.8
141.07018	0.6
150.96910	1.5
155.03374	0.5
155.07011	1.8
155.08928	6.9
155.10391	0.9
155.14302	4.7
168.18825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Ipsenol
Peak:m/z	Relative Intensity
50.28176	0.7
53.03945	1.4
55.01844	0.9
55.05514	5.6
57.03440	1.6
57.07076	100.0
57.71087	0.7
59.04983	0.9
62.68888	0.6
62.88715	0.7
65.03930	2.4
65.69858	0.7
67.05506	21.6
67.46547	0.7
69.03423	1.4
69.07066	2.9
69.72408	3.2
69.72824	2.0
70.95855	3.2
71.04982	3.2
72.93790	29.7
79.05476	1.6
81.03411	1.0
81.07057	10.5
83.04971	2.7
83.08620	1.1
85.06540	11.8
90.94833	5.5
91.05473	1.9
93.07049	5.4
95.04964	11.3
95.08617	7.3
97.06529	2.4
98.21430	1.2
99.04445	2.2
99.08089	2.2
109.06519	3.3
109.10147	9.7
111.04427	3.1
111.98421	1.3
113.05997	1.8
113.96403	17.9
119.08549	1.1
127.03910	0.9
127.07550	3.0
131.96178	0.7
131.96471	0.8
131.97400	5.1
132.95810	4.3
137.05971	1.3
137.09599	2.5
137.13200	1.3
147.00850	0.8
150.96873	4.0
155.03452	1.4
155.06087	0.9
155.07033	7.1
155.08549	2.6
155.10625	3.7
155.14351	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	2.1
63.74988	1.6
70.27147	7.0
74.09724	20.2
75.01050	1.9
83.06131	4.3
84.01552	2.4
85.81554	1.6
93.04531	4.1
96.96931	5.0
110.07172	42.4
112.05280	15.4
112.62847	1.7
114.00912	1.6
115.00572	2.3
130.06313	17.3
131.00198	2.2
149.01237	3.0
156.04228	100.0
156.07654	2.7
156.10204	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1019
Annotation	Scopoline
Peak:m/z	Relative Intensity
51.45251	1.1
53.03950	1.5
54.04529	1.0
55.01858	1.3
55.05515	6.5
57.03442	5.5
65.03927	1.6
67.05495	4.8
67.52340	1.0
68.05032	1.9
69.03417	1.8
69.07074	11.5
69.42528	3.0
69.42944	4.6
70.06578	2.0
70.95869	10.9
72.08137	3.1
72.84202	1.0
72.93795	6.2
79.05489	4.7
80.05013	2.4
81.05779	1.5
81.07044	4.6
82.02924	2.1
82.06584	10.8
83.04961	3.1
83.08603	3.1
85.06536	2.6
88.96873	1.0
90.94832	1.2
91.05475	3.6
92.05012	1.8
93.07042	12.4
94.06570	2.2
95.07354	4.8
95.08630	9.7
96.04495	24.4
96.08131	18.3
97.05278	27.0
97.06532	13.1
98.06042	1.9
98.09681	2.3
100.07620	12.4
108.08137	5.5
109.06519	8.2
110.06042	61.0
110.07157	2.6
110.09689	27.7
111.08082	10.3
111.98458	3.0
114.05524	1.0
115.96620	1.0
120.08088	5.9
121.06506	5.0
123.06831	1.8
124.07589	2.8
125.08369	11.5
126.08207	2.0
126.09154	53.3
132.95850	14.1
138.09140	100.0
139.07590	2.4
139.09503	2.2
150.96875	9.1
155.97484	1.5
156.10205	71.3
157.10503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98644	0.6
56.96569	8.8
62.86945	0.2
67.17042	0.2
70.20207	0.4
70.20577	0.7
71.95268	3.0
96.06239	0.2
98.97591	100.0
99.97897	0.4
103.75576	0.2
116.98627	35.6
117.98893	0.2
123.95975	0.3
132.96414	0.3
134.99675	6.6
140.00227	1.0
158.01241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.4
55.05518	0.3
56.96569	10.9
57.04563	0.3
57.93565	1.2
66.20197	0.2
67.05521	0.3
69.06721	0.3
69.07068	2.4
69.81940	0.8
70.06590	1.0
70.06931	0.2
70.98134	0.5
71.95268	3.6
75.94614	0.4
84.08164	0.3
86.09689	0.3
97.02896	0.2
97.06506	0.4
98.01328	0.2
98.06015	0.2
98.97590	100.0
99.97913	0.6
102.09187	0.6
112.07607	0.6
112.55763	1.1
116.97369	4.6
116.98624	37.3
130.06544	0.3
131.99515	0.3
134.95872	0.7
134.99663	8.5
135.06766	0.2
135.14803	0.2
140.00204	0.9
140.07072	1.0
141.01816	0.2
143.01852	0.2
148.96237	0.3
152.96921	1.3
153.00722	0.5
158.01253	0.6
158.08269	0.2
158.09628	0.7
158.12933	0.9
161.03062	0.2
175.98567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01876	8.2
55.05515	3.9
56.02213	3.3
56.05045	3.3
56.96568	54.0
57.03433	6.1
57.04560	1.9
57.07076	5.4
57.93571	6.8
58.03778	0.8
58.06604	42.5
58.96154	0.7
58.99869	2.9
59.05009	1.4
59.99954	1.0
60.04526	2.0
60.95840	0.9
61.02923	3.2
64.45020	0.6
65.03924	0.7
67.05509	6.0
68.00286	1.2
68.02641	0.6
68.05042	3.7
68.99779	1.1
69.03432	10.5
69.07070	4.4
70.02971	0.7
70.03758	0.8
70.04088	6.9
70.06596	96.7
70.98128	2.8
70.99855	2.3
71.01366	2.9
71.05003	5.3
71.06129	1.2
71.06933	0.8
71.47797	0.8
71.95272	6.7
72.04514	1.6
72.08169	5.8
73.02925	3.9
74.02496	0.6
74.06094	1.9
74.93818	0.8
75.01031	0.6
75.94613	2.2
77.00898	3.1
79.00662	0.8
79.05505	2.0
80.04999	1.3
81.03434	4.8
81.07073	3.1
82.01443	3.2
82.06591	1.9
82.99854	1.4
83.00787	1.7
83.01304	0.9
83.04993	1.4
84.04498	3.9
84.08147	21.9
84.96040	5.5
84.99258	0.8
85.01411	0.8
85.02913	9.0
85.06545	7.8
85.07722	0.7
85.08462	0.8
86.06079	2.7
86.07195	0.7
86.09724	3.7
87.01080	0.8
87.01883	0.9
87.04482	1.4
87.05598	1.2
87.10036	0.8
89.00831	2.8
91.02451	1.5
93.95661	2.1
94.06575	2.6
95.00753	1.0
95.01311	1.2
95.04985	3.1
95.06082	0.9
95.08612	1.1
96.01570	1.7
96.04486	2.3
96.08128	1.7
97.02895	12.0
97.06519	1.5
97.96812	1.6
97.99204	1.4
98.01339	0.9
98.06063	13.6
98.09702	1.0
98.97589	100.0
99.02012	0.8
99.04478	4.2
99.06841	1.3
99.97945	1.0
100.02485	9.4
100.07613	1.2
101.00882	10.7
101.02402	1.3
102.00983	2.9
102.02246	3.7
102.03359	0.7
102.05548	3.7
102.09185	11.0
102.53125	0.8
103.00639	4.6
103.02433	1.9
104.01278	0.7
105.02133	1.5
108.04478	3.9
109.02881	1.8
110.01280	1.6
110.06065	4.6
110.07158	3.2
110.97550	2.0
111.02912	1.1
111.04463	0.8
112.01111	0.9
112.03938	0.9
112.05157	1.4
112.05925	1.2
112.07616	17.2
112.08738	18.2
112.11234	1.4
112.55788	1.5
112.99149	1.7
113.00867	1.6
113.02357	2.7
113.05945	0.8
113.07127	1.3
114.02594	0.8
114.04043	1.3
114.05529	5.2
114.09177	6.2
115.00657	1.5
115.02426	3.4
115.97840	1.0
116.00208	1.1
116.02568	3.0
116.07082	7.5
116.97269	24.0
116.98616	55.9
117.02116	3.3
117.03988	1.3
117.99020	0.8
118.01101	1.2
118.03512	6.2
119.01926	21.4
120.02002	6.9
120.03301	1.1
121.01678	13.1
121.02475	1.2
122.06030	2.0
122.09663	0.9
123.11717	5.5
124.04634	1.4
126.83915	0.8
127.00326	3.0
127.01517	1.3
127.02417	1.1
127.03922	2.2
128.02252	0.8
128.98618	3.1
129.02066	0.8
129.04001	1.0
129.10265	2.3
130.05045	1.8
130.06526	1.7
130.08693	3.6
131.00153	2.2
131.01898	6.2
131.99542	1.4
132.02026	2.0
132.04976	0.8
133.01659	2.3
133.03493	5.1
134.02081	1.0
134.03592	7.4
134.04593	1.1
134.95857	2.3
134.99660	21.8
135.01270	1.1
135.03204	7.8
135.05022	1.6
135.06787	0.7
137.02957	3.2
139.02687	2.5
140.00192	1.6
140.02353	1.5
140.07085	7.8
140.10727	2.2
140.14342	0.9
140.98590	1.3
141.01852	3.0
141.06625	1.5
142.03494	0.9
143.01910	3.3
144.03218	4.3
144.98114	1.2
144.99828	2.9
145.01642	0.7
145.03465	2.5
146.99669	1.3
147.01382	0.8
147.04985	4.7
147.27438	0.7
148.05145	1.3
148.96190	3.3
149.01216	1.5
149.02969	2.2
151.04533	1.3
152.04695	0.8
152.96930	7.9
153.00674	1.6
153.04236	1.2
154.02043	1.0
155.01791	2.2
156.51068	0.8
157.03474	1.7
158.01488	1.3
158.03706	4.9
158.05682	3.9
158.08110	19.2
158.09389	26.5
158.11748	7.7
158.12921	9.4
158.15407	48.5
158.99655	4.4
159.01385	2.0
159.03162	1.3
159.09534	0.8
161.03067	3.4
162.04314	0.8
162.99161	1.3
163.00893	0.8
163.02711	0.7
163.04510	1.0
164.02324	1.2
165.06116	1.1
170.98015	1.5
170.99573	0.8
171.01431	1.1
171.04951	0.9
173.01268	1.3
173.02948	1.9
176.04617	1.9
176.06055	1.1
176.07715	1.0
177.00723	4.8
177.02313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
56.96556	0.9
57.93554	1.1
69.07072	0.9
70.06594	25.1
71.48345	0.5
72.39520	0.4
76.93358	0.6
84.08163	0.7
87.00819	1.5
91.05486	1.5
96.62073	0.4
98.06029	1.2
98.97591	5.1
99.33373	0.4
102.09169	0.9
103.05466	1.7
105.07025	1.1
111.69224	0.4
112.07608	9.0
115.05465	1.4
116.06295	0.5
116.07079	4.9
116.97227	3.7
116.98598	2.2
117.01853	1.2
117.06979	0.9
117.95965	0.6
119.08627	0.5
128.06219	17.9
129.07050	2.0
130.06537	2.3
130.07394	0.7
131.04932	3.0
131.08551	1.6
132.08061	0.6
140.07108	1.1
141.01857	1.4
141.07018	0.7
142.07751	1.7
143.08562	100.0
144.08847	2.3
145.06456	0.9
151.17882	0.4
152.96918	0.5
155.06021	0.9
157.10143	3.4
158.06029	1.1
158.08119	1.6
158.09645	8.5
158.10913	26.0
158.15407	1.7
159.04425	1.4
159.08040	0.9
159.11710	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	159.0443
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
53.03951	1.0
54.07354	0.3
55.71248	0.4
56.96564	0.9
58.29198	0.3
59.93110	0.3
67.05502	0.5
68.25075	0.3
69.15979	0.3
71.48315	0.5
76.93383	1.9
77.03928	0.6
81.07041	0.3
87.00854	1.3
91.05489	2.5
95.04975	1.3
96.08094	0.3
98.97600	3.1
99.04508	0.4
102.04668	0.6
103.05477	18.4
105.04508	0.6
105.07042	3.1
113.02370	1.3
114.05527	0.3
115.05475	1.4
116.06241	0.9
116.98649	0.8
117.01871	1.3
117.07037	3.8
117.95993	2.1
119.08603	1.6
128.06247	0.7
129.07054	2.8
130.07805	0.6
131.04941	100.0
131.08585	7.0
132.05269	2.7
132.08124	0.8
135.97015	0.8
141.01860	3.9
141.07048	0.6
143.08572	0.8
144.05710	1.2
144.09389	5.0
157.10110	0.5
159.04433	41.5
159.08072	4.7
159.09142	0.7
159.11708	14.7
160.04962	0.5
160.07675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
51.02404	0.4
53.03944	1.1
55.76093	0.4
61.28763	0.3
67.05491	0.6
70.06593	0.3
70.40741	0.8
70.41071	0.4
71.05011	0.5
76.93378	2.4
77.03921	0.7
79.05478	0.5
81.07040	0.5
85.06497	0.4
87.00838	0.8
89.31145	0.3
91.05485	3.9
94.94421	0.7
95.04974	0.8
98.97590	1.0
103.05466	17.3
104.05815	0.5
105.04504	0.7
105.07021	3.4
106.11674	0.3
113.02375	1.5
114.05515	0.3
115.05469	1.1
116.06242	1.2
116.98651	0.4
117.01865	0.6
117.05767	0.5
117.07025	3.6
117.95991	1.7
119.08562	1.7
128.06281	0.4
129.07007	3.0
130.06567	0.6
130.07823	1.0
131.04926	100.0
131.08559	8.3
132.05255	2.6
132.08089	2.4
132.24745	0.3
135.96983	0.5
141.01828	4.0
141.07028	0.8
142.06566	0.5
142.07700	0.5
144.05701	1.4
144.09369	4.5
157.10085	0.6
159.04416	42.2
159.08043	4.8
159.09195	2.6
159.11699	13.4
160.04799	0.8
160.07628	0.4
169.07611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.4
53.03944	1.1
55.76093	0.4
61.28763	0.3
67.05491	0.6
70.06593	0.3
70.40741	0.8
70.41071	0.4
71.05011	0.5
76.93378	2.4
77.03921	0.7
79.05478	0.5
81.07040	0.5
85.06497	0.4
87.00838	0.8
89.31145	0.3
91.05485	3.9
94.94421	0.7
95.04974	0.8
98.97590	1.0
103.05466	17.3
104.05815	0.5
105.04504	0.7
105.07021	3.4
106.11674	0.3
113.02375	1.5
114.05515	0.3
115.05469	1.1
116.06242	1.2
116.98651	0.4
117.01865	0.6
117.05767	0.5
117.07025	3.6
117.95991	1.7
119.08562	1.7
128.06281	0.4
129.07007	3.0
130.06567	0.6
130.07823	1.0
131.04926	100.0
131.08559	8.3
132.05255	2.6
132.08089	2.4
132.24745	0.3
135.96983	0.5
141.01828	4.0
141.07028	0.8
142.06566	0.5
142.07700	0.5
144.05701	1.4
144.09369	4.5
157.10085	0.6
159.04416	42.2
159.08043	4.8
159.09195	2.6
159.11699	13.4
160.04799	0.8
160.07628	0.4
169.07611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
52.22631	0.5
53.03965	1.1
54.00111	0.6
55.01880	1.5
55.05524	1.4
56.05045	1.0
56.96569	10.9
57.03437	1.2
57.93570	1.4
59.05016	0.6
59.93108	3.2
60.04525	1.2
61.02937	1.4
67.05526	1.0
69.03429	1.2
69.07085	1.0
69.93765	1.9
70.06602	2.0
71.01368	1.2
71.04995	1.3
71.95274	3.1
72.04533	0.8
72.08161	3.1
72.93794	1.1
73.95702	1.4
74.06092	1.3
75.04492	0.7
75.93621	1.1
76.93373	7.1
77.03968	0.7
77.94162	0.9
79.05510	0.7
81.03445	1.2
81.04537	1.0
81.07068	2.0
82.84399	0.6
83.05001	0.6
83.08659	0.5
84.04517	0.7
84.08144	2.2
85.02924	1.8
86.06044	0.7
86.09720	2.5
87.00834	1.7
87.05592	1.8
87.44779	0.5
91.05482	3.1
91.96666	0.7
93.05825	0.7
94.04191	0.5
94.06570	0.7
94.94419	1.8
95.05014	0.7
96.04500	0.8
97.02893	0.7
97.06547	0.7
98.21449	0.6
98.97590	48.2
99.04470	1.6
99.05613	1.2
99.08117	0.9
99.97916	2.2
101.68851	0.6
103.05477	3.7
105.07024	2.0
110.97569	0.6
113.02374	5.2
113.06018	0.6
114.05563	1.0
114.09166	3.6
114.98311	0.7
115.05460	19.2
116.05009	1.1
116.97263	1.7
116.98625	27.0
117.01888	2.4
117.04929	0.8
117.05764	16.5
117.07030	2.4
117.95992	6.9
117.97600	1.4
117.98937	1.3
118.06568	4.7
118.96775	7.9
119.93687	0.6
121.01629	0.5
125.37456	0.5
127.00306	0.6
128.02359	0.6
129.07014	0.7
130.06532	27.1
131.04941	16.2
131.06909	2.0
131.08548	3.1
132.08098	100.0
133.08452	1.5
134.99672	10.0
135.95631	1.3
135.97020	1.8
136.95441	1.1
140.04951	1.1
141.01837	15.9
141.06624	0.8
142.06529	28.0
143.07227	1.1
144.05690	1.3
144.09317	1.4
148.97723	0.6
152.96907	0.7
153.96674	3.4
154.96429	2.6
158.08394	1.8
158.99747	1.2
159.03085	0.9
159.04401	2.1
159.09180	87.3
159.11656	3.8
160.07593	15.0
160.08995	0.8
160.09595	1.8
173.04810	0.8
177.00664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03954	0.8
55.05508	0.6
59.93123	0.6
61.89227	0.4
64.54887	0.4
67.05509	3.0
70.06607	0.8
70.61692	1.1
76.92945	0.8
76.93366	5.5
79.05503	3.0
80.28461	0.4
81.07063	3.5
91.05486	17.1
93.07053	0.9
94.94411	1.5
95.04980	0.5
103.05468	1.0
105.06330	0.7
105.07034	12.1
113.02376	4.1
114.09166	0.7
115.05458	6.5
116.06247	2.9
117.07024	32.1
117.95987	5.5
118.07272	0.5
118.07867	0.6
118.96808	0.7
119.08583	4.6
128.06192	0.8
129.07005	13.0
130.07799	16.1
131.04935	1.0
131.08574	55.9
132.08932	1.6
135.96005	0.3
135.97031	1.7
141.01836	10.2
141.07014	0.9
142.07785	0.8
143.08556	0.7
144.05688	1.0
144.09348	9.8
157.10141	2.2
159.08223	2.9
159.11700	100.0
160.12030	2.7
176.53418	0.4
178.35600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.97750	0.5
55.05505	0.6
61.91624	0.5
62.87198	0.4
67.05501	3.5
69.73546	1.9
69.73960	0.7
70.06583	0.9
76.93387	1.0
79.05503	4.5
81.07053	3.6
85.02897	0.5
91.05486	19.9
93.07041	1.5
103.05468	0.8
105.07033	15.0
105.07700	1.0
107.90227	0.6
113.02376	2.1
114.09188	0.6
115.05456	5.0
116.06255	2.0
117.07023	51.1
117.95989	1.6
118.07893	0.5
119.08598	4.5
128.06223	1.2
129.07010	10.3
130.07797	16.7
131.08569	90.6
132.08891	1.7
141.01830	7.2
142.07828	1.0
144.05750	0.7
144.09355	8.6
157.10202	2.7
159.02939	0.6
159.08168	3.3
159.11696	100.0
160.09738	0.9
160.12019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03935	0.6
55.05516	0.5
59.75030	0.5
59.95663	0.4
63.40767	0.4
67.05509	3.7
68.59872	0.4
69.35452	3.5
69.40491	0.4
79.05501	4.0
81.07066	2.9
91.05486	17.9
93.07052	2.0
103.05497	0.7
104.73475	0.5
105.07039	15.9
106.57324	0.4
113.02365	1.1
115.05447	5.5
116.06242	2.3
117.07025	54.0
118.07907	0.5
119.08591	5.0
128.06248	0.5
129.07010	9.8
130.07794	15.1
131.08574	92.6
132.08928	1.8
141.01843	3.7
142.07767	0.8
143.08641	0.5
144.09360	8.5
148.94012	0.5
157.10130	2.5
159.08070	1.5
159.11702	100.0
160.12038	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.3
58.99885	0.2
61.37288	0.1
71.44341	0.3
82.99846	6.9
83.99925	0.3
97.61533	0.1
98.97591	1.4
100.97192	0.5
101.00887	53.3
101.95042	0.7
102.00944	1.6
102.96242	0.2
102.96877	1.0
103.00625	0.3
103.01287	0.2
106.96563	0.2
111.00444	0.4
113.87374	0.1
115.02384	0.1
115.97044	0.4
116.98608	0.4
118.54844	0.1
119.01926	100.0
120.01997	4.0
120.97891	0.2
121.01615	0.3
121.02396	0.3
124.02492	0.5
124.97601	0.4
127.47894	0.2
133.03415	0.3
133.98094	0.4
136.48358	1.3
137.02963	15.7
138.03076	0.7
142.03482	1.2
143.01881	0.5
143.03670	1.1
144.03290	0.3
145.48880	0.9
157.03496	0.3
161.02965	5.3
161.04317	0.4
168.17734	0.2
179.02525	0.3
179.04018	4.7
180.04192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02379	0.5
53.03950	3.0
55.01880	4.9
55.05515	2.1
58.91120	0.4
61.13451	0.4
66.04722	0.9
67.05498	0.5
69.03442	0.8
69.07064	1.2
69.33902	0.4
71.48156	0.5
77.03941	0.9
79.05499	18.4
81.03400	0.4
81.07050	1.9
89.03914	1.1
90.04707	1.5
91.05484	8.8
93.07065	1.0
95.04983	2.1
102.04697	0.6
103.05476	22.5
104.05756	0.5
104.67326	0.4
105.03447	0.9
105.04549	1.4
105.07038	100.0
106.07389	1.7
107.04948	1.4
107.08572	0.6
113.02411	0.6
115.05461	26.4
117.07024	1.6
118.04167	12.9
119.08588	19.9
120.08136	0.5
128.06252	0.8
130.04161	0.5
131.04942	5.6
131.08556	1.9
132.05727	1.6
133.06503	36.1
133.10139	10.5
134.06900	0.6
143.04968	1.0
143.06044	6.8
143.08591	1.5
144.08063	2.6
145.06476	0.5
146.03632	13.0
146.07275	1.5
147.04321	0.6
159.11710	0.9
161.05995	34.3
161.09616	8.1
161.13269	12.2
162.05432	4.7
162.09091	0.5
171.05557	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03950	3.0
55.01880	4.9
55.05515	2.1
58.91120	0.4
61.13451	0.4
66.04722	0.9
67.05498	0.5
69.03442	0.8
69.07064	1.2
69.33902	0.4
71.48156	0.5
77.03941	0.9
79.05499	18.4
81.03400	0.4
81.07050	1.9
89.03914	1.1
90.04707	1.5
91.05484	8.8
93.07065	1.0
95.04983	2.1
102.04697	0.6
103.05476	22.5
104.05756	0.5
104.67326	0.4
105.03447	0.9
105.04549	1.4
105.07038	100.0
106.07389	1.7
107.04948	1.4
107.08572	0.6
113.02411	0.6
115.05461	26.4
117.07024	1.6
118.04167	12.9
119.08588	19.9
120.08136	0.5
128.06252	0.8
130.04161	0.5
131.04942	5.6
131.08556	1.9
132.05727	1.6
133.06503	36.1
133.10139	10.5
134.06900	0.6
143.04968	1.0
143.06044	6.8
143.08591	1.5
144.08063	2.6
145.06476	0.5
146.03632	13.0
146.07275	1.5
147.04321	0.6
159.11710	0.9
161.05995	34.3
161.09616	8.1
161.13269	12.2
162.05432	4.7
162.09091	0.5
171.05557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	2.4
55.01869	0.9
55.05511	6.9
66.08562	0.6
67.05508	6.0
69.07081	6.1
69.82163	2.2
79.05495	8.4
81.07059	11.0
91.05483	24.3
91.24297	0.6
93.07053	8.8
95.04944	0.7
95.08607	2.6
103.05484	4.1
105.07032	100.0
106.07363	1.3
107.08597	3.4
115.05447	4.2
117.07013	7.2
118.04177	1.3
118.07819	0.9
119.08583	88.0
120.08875	1.5
121.06553	0.8
121.10152	1.7
128.06233	1.4
131.05022	0.7
131.08571	6.9
132.09286	1.3
133.06503	4.6
133.10132	65.9
134.10477	1.4
143.08528	2.1
145.10187	0.7
146.03629	0.7
146.07259	1.9
146.10893	1.9
159.11702	2.7
161.05988	4.8
161.09613	10.4
161.13257	64.3
162.05536	1.1
162.13617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.75620	0.7
53.03939	1.2
55.01877	0.8
55.05520	3.8
59.71785	0.6
60.25137	0.5
61.64316	0.6
66.04726	0.6
67.05508	22.7
69.03413	0.7
69.07075	4.0
69.18046	0.7
71.03245	0.9
77.03899	1.1
79.05496	32.8
81.07058	32.1
83.08612	1.4
91.05484	44.0
93.07044	15.0
95.04970	0.8
95.08001	0.7
95.08608	12.8
97.02914	0.8
103.05464	1.4
105.07034	55.9
106.07361	1.3
107.08604	3.8
115.05457	2.2
117.07029	4.3
118.04144	1.0
119.08586	60.9
120.08863	1.0
121.70074	0.6
124.29432	0.6
126.62918	0.7
128.06207	1.2
131.08565	3.3
132.09279	0.8
133.06494	2.0
133.10135	45.5
143.08562	1.4
159.11711	3.6
161.06013	2.9
161.09682	4.9
161.13260	100.0
162.05443	1.5
162.09045	0.7
162.13640	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	2.7
55.01877	2.9
55.05508	5.7
65.03946	0.6
66.15745	0.6
67.05505	1.6
69.03445	1.0
69.07073	5.0
70.39399	0.6
74.82948	0.5
75.06268	0.6
77.03903	0.8
79.05500	16.8
81.07063	3.5
89.03928	1.2
90.04701	1.9
91.04918	0.9
91.05485	16.3
91.06026	1.1
92.02591	0.6
93.07052	4.0
95.04976	2.6
102.04707	1.0
103.05469	15.7
105.07038	100.0
106.07368	2.1
107.08599	3.0
108.76470	0.6
115.05461	18.1
117.07024	4.9
118.04167	10.7
118.07840	1.0
119.04950	0.7
119.08589	59.7
120.08855	1.4
121.06468	0.9
121.10156	4.1
126.87503	0.6
128.06253	2.0
129.07025	0.8
130.07787	1.3
131.04909	4.2
131.08569	8.3
132.05757	1.2
133.06505	30.6
133.10138	36.7
134.06903	0.8
143.05014	0.9
143.06039	3.3
143.08565	3.8
144.09428	0.8
145.10117	1.8
146.03653	5.2
146.07266	2.1
146.10934	4.8
159.11717	4.7
161.05988	19.2
161.09627	15.2
161.13266	56.8
162.05515	1.9
162.13623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.01637	0.5
50.19908	0.5
53.03938	1.7
55.01849	0.6
55.05514	2.7
65.03961	0.9
67.05505	23.9
69.07076	2.8
69.19469	0.6
69.98767	2.5
70.06581	0.5
73.02171	0.7
77.03900	0.9
79.05492	35.5
80.05848	0.5
81.07056	28.0
83.08611	1.5
91.05480	43.3
93.07040	14.1
95.04953	1.2
95.08602	14.9
103.05436	1.0
105.03420	0.7
105.07031	46.8
105.37509	0.5
106.07303	0.8
107.08596	3.4
115.05432	0.7
117.07005	3.1
119.08582	49.6
120.63319	0.5
121.06465	0.6
131.08514	2.9
133.06476	2.2
133.10129	42.2
134.10478	1.2
146.03638	1.1
146.07275	1.7
151.32201	0.6
159.11693	3.8
161.04761	0.6
161.05972	2.5
161.09653	7.4
161.13254	100.0
162.05525	0.8
162.13625	2.0
175.96400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	3.9
55.05516	9.6
67.05502	1.6
69.03423	2.7
69.06773	0.9
69.07077	9.0
79.05489	11.9
81.07063	4.5
91.05486	19.5
93.07041	6.4
95.04980	1.6
95.08576	1.1
103.05473	11.2
105.03406	1.8
105.07036	87.9
106.07285	1.0
107.08609	5.3
113.02371	2.8
115.05470	9.2
117.07032	7.1
118.04165	5.2
119.08588	92.7
120.08881	1.0
121.06490	1.9
121.10149	15.8
128.06230	2.7
131.04965	1.9
131.08568	13.0
133.06511	23.8
133.10138	82.3
134.10457	1.1
143.04973	1.4
143.06059	3.7
143.08578	4.4
145.10168	2.1
146.03618	2.2
146.07245	3.8
146.10899	6.3
159.11646	4.2
161.06006	12.5
161.07066	1.5
161.08096	2.2
161.09619	20.0
161.13263	100.0
162.05492	3.0
162.13620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.91380	0.8
53.03941	3.5
55.01873	2.1
55.05513	5.8
59.04980	1.0
65.03934	1.2
67.05141	1.5
67.05505	22.3
67.96440	0.9
69.03429	2.2
69.07072	5.8
71.48793	1.4
73.02923	1.1
78.93117	1.9
79.05499	34.8
81.07059	28.2
85.02909	1.5
90.40469	0.9
91.05484	89.5
92.05793	1.2
93.06487	1.5
93.07047	22.1
95.04976	2.2
95.08612	12.0
96.94125	1.5
97.02892	1.4
101.95058	1.7
103.05455	5.7
105.03399	2.2
105.07036	88.9
107.08588	4.9
111.69018	0.8
113.02351	2.1
115.05456	8.1
117.07024	36.7
118.04169	2.8
119.08585	71.2
119.95746	1.7
120.08817	1.2
121.06557	1.0
128.06224	7.2
131.08580	5.3
132.05692	1.1
132.09296	2.0
133.06491	10.8
133.10135	45.9
134.10500	1.2
143.06041	0.9
143.08539	9.7
146.03616	3.8
146.07285	3.1
146.10773	0.9
159.11711	3.3
161.04597	1.5
161.05988	10.5
161.07195	1.3
161.09625	47.1
161.13266	100.0
162.05411	2.0
162.09154	1.6
162.13628	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	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34135	0.7
53.03944	1.4
55.01867	1.8
55.05511	8.9
58.99528	0.6
67.05495	2.2
69.03426	0.7
69.06728	0.8
69.07074	9.2
69.94884	1.0
69.95289	1.6
71.71503	0.6
76.07738	0.5
77.03934	0.8
78.37981	0.5
79.05075	0.7
79.05496	7.8
81.07062	5.5
90.04730	0.6
91.05486	18.8
93.07055	6.7
95.04975	1.1
95.08591	1.0
103.05479	5.4
105.07035	78.2
106.07358	0.9
107.08592	4.3
113.02336	1.0
115.05458	7.7
117.07022	6.7
118.04170	2.2
118.07866	1.3
119.08585	100.0
120.08862	1.4
121.06422	0.6
121.10156	4.7
128.06227	3.3
129.07045	0.8
131.04991	0.8
131.08566	13.2
133.06500	8.0
133.10133	77.0
134.10437	1.1
143.04945	0.7
143.06073	1.2
143.08569	5.4
145.10120	1.1
146.03613	1.8
146.07294	4.0
146.10916	4.3
147.19096	0.6
159.11708	3.4
161.06013	7.1
161.09627	19.5
161.13258	86.3
162.05435	0.6
162.13602	1.7
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
53.03934	0.9
55.01867	0.2
56.05016	0.3
56.96575	0.3
57.03442	0.4
58.99575	0.9
60.04528	0.3
66.12785	0.2
68.99776	0.3
69.03416	0.4
69.07047	0.2
69.09029	0.3
70.06577	0.8
74.06091	1.4
77.03952	0.4
79.05506	2.0
83.08647	0.3
84.04491	0.3
85.02909	0.3
86.99057	0.4
89.03922	4.7
91.05494	2.1
92.04994	0.5
93.07033	0.9
94.06556	0.5
95.04972	1.0
97.02898	0.3
98.21561	0.9
98.97550	0.3
102.05536	0.7
102.45610	0.3
102.96897	0.6
103.05470	2.4
105.03366	0.6
105.04512	0.6
105.07013	1.1
106.06547	1.5
106.07361	0.8
107.04956	4.1
107.08633	1.3
114.02702	0.3
115.05473	0.3
116.01660	0.5
116.04215	0.4
116.04987	5.0
116.05811	0.3
116.07101	0.6
117.03386	3.0
117.07027	0.8
118.06522	0.5
119.04955	1.9
119.08604	0.5
120.04474	2.9
120.06594	0.9
120.08085	1.0
120.08917	0.6
120.90600	0.3
120.96526	1.4
120.97871	0.3
121.00835	0.6
121.10167	0.4
131.04915	2.2
133.02832	1.4
134.06007	2.5
134.06880	0.4
134.10478	0.6
135.04422	6.4
135.08052	0.5
139.01833	0.5
144.04466	1.5
145.02875	2.0
145.03902	0.4
145.05016	0.3
145.06422	0.3
145.10112	0.7
156.96246	0.5
162.05508	100.0
162.09012	1.7
163.03906	15.1
163.06000	1.6
163.07536	1.3
163.11162	2.2
163.12399	0.4
181.02844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	0.9
55.57492	0.3
56.11310	0.3
65.03920	1.2
68.99799	0.7
69.89787	2.0
75.18423	0.3
77.03916	0.5
79.05479	1.3
89.19303	0.4
91.05476	20.1
92.05791	0.5
95.04958	0.7
107.04949	42.0
108.05277	0.6
119.04933	21.8
128.07042	0.4
135.04401	2.7
163.03889	100.0
164.04199	2.1
182.65482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03950	4.3
54.37152	0.5
55.05500	2.4
57.07075	0.8
65.03931	1.5
66.04736	2.6
67.05511	6.1
69.07053	2.5
70.73454	0.6
70.73775	1.1
76.48682	0.5
76.70056	0.5
77.03915	2.2
78.04708	6.6
79.05497	16.5
79.07053	0.5
80.05007	1.6
81.03405	0.8
81.05774	0.6
81.07056	11.0
83.08603	1.4
91.05478	10.9
92.02616	2.3
92.05017	3.8
92.05818	0.7
93.07050	16.9
94.04172	1.4
95.04970	4.6
95.08610	9.4
103.05456	1.7
103.23389	0.5
104.04993	79.6
105.03428	3.7
105.04562	2.8
105.05779	100.0
105.06977	2.8
106.02938	0.7
106.05878	0.5
106.06604	6.8
107.04962	5.3
107.07336	1.9
107.08589	15.3
108.04484	1.6
109.10196	1.2
110.06062	1.4
117.03415	0.8
117.05761	1.6
118.06551	8.3
119.03685	1.6
119.04954	2.2
119.08574	1.2
120.04471	36.4
120.08065	0.7
121.06503	16.6
121.10146	15.8
121.11034	0.6
123.06813	9.0
130.02905	5.3
130.03796	0.9
130.06577	2.7
131.03230	1.8
131.04950	2.2
132.04451	30.2
132.08064	3.2
133.02901	7.8
133.05235	58.1
134.02359	1.5
134.06075	3.7
135.04411	9.4
135.11696	2.4
139.28764	0.5
145.10138	1.1
148.03946	11.5
149.04741	8.7
156.86984	0.6
162.05507	24.3
163.03923	38.1
163.06248	18.8
163.07545	1.4
163.11197	3.3
163.12367	2.7
163.14818	12.1
164.04280	0.9
164.07004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02389	0.9
53.03947	2.0
53.04163	0.3
55.01867	0.5
55.05508	1.4
57.03440	6.5
57.07079	6.9
59.05012	0.5
61.62717	0.3
65.03950	1.0
67.05493	1.8
68.99753	0.4
69.03442	2.0
69.07068	4.1
70.60551	1.1
71.04988	1.2
71.69023	0.3
77.03926	1.5
79.05494	5.0
81.03411	0.4
81.07068	1.8
83.08623	0.6
85.02923	0.7
85.06546	6.4
86.72308	0.3
89.03919	2.9
91.05487	6.8
92.05820	0.3
93.07048	7.1
95.04979	3.8
95.08611	1.2
99.08096	0.4
101.06003	0.7
102.04682	0.8
103.05472	82.2
103.07582	8.4
104.05791	1.7
105.03403	0.5
105.04510	0.9
105.07032	4.2
106.06544	0.6
107.04958	8.4
107.08601	15.1
109.06535	0.7
115.05470	0.8
117.03386	2.4
117.05771	0.7
117.07020	2.5
117.77141	0.3
119.04949	2.8
119.05738	0.4
119.06094	0.3
119.08595	2.7
121.06536	1.8
121.10155	9.3
125.24132	0.4
127.07557	0.5
129.06984	0.3
130.04170	0.4
130.06551	1.4
130.07796	1.3
131.04935	100.0
132.05264	2.6
132.08076	1.3
133.02840	3.0
133.06491	0.5
133.10129	0.7
135.04420	6.0
135.08037	2.4
135.11691	5.4
136.07594	0.9
145.02873	1.4
145.06508	0.7
145.10152	3.5
148.05188	2.6
148.08832	0.6
152.47177	0.3
163.03918	25.3
163.07549	42.5
163.11168	8.7
163.12329	0.9
163.14806	3.9
164.04399	0.5
164.08051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02383	0.9
53.03949	2.4
55.01889	0.6
55.05510	5.4
57.03439	0.5
57.07076	1.3
65.03932	1.2
67.05499	4.8
69.03432	0.8
69.07068	17.8
69.34677	3.6
77.03922	1.0
79.05027	0.6
79.05494	16.4
81.07058	20.1
83.08626	4.6
87.62113	0.5
89.03916	1.3
91.05478	13.5
91.06032	1.0
93.07043	27.4
95.04980	3.0
95.08607	15.7
95.09084	0.4
97.57438	0.5
98.21490	0.8
102.04654	0.6
103.05468	100.0
104.04984	0.5
104.05799	1.8
105.04496	0.8
105.05848	0.7
105.07034	9.5
107.04968	7.5
107.08595	73.9
108.08877	1.1
109.06509	1.2
109.10177	1.4
115.05463	0.8
117.03355	0.9
117.07028	2.1
119.04947	2.2
119.06050	0.9
119.08573	3.9
121.06496	1.1
121.10144	29.1
123.08064	0.7
130.07764	1.3
131.04930	96.8
132.05284	2.0
133.02852	1.3
135.04410	3.3
135.08034	1.2
135.11703	12.6
136.07585	1.3
144.63574	0.7
145.02840	0.7
145.06532	0.6
145.10139	4.5
163.03909	19.1
163.06134	1.0
163.07538	19.1
163.11188	19.3
163.14819	35.1
164.04208	0.7
164.15094	0.7
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
50.01611	0.5
50.55639	0.3
51.02383	0.8
51.27248	0.4
53.03948	4.4
55.01868	0.8
55.05511	0.4
55.20723	0.3
65.03964	0.4
67.05503	0.4
69.03404	0.5
69.07063	1.1
69.29635	2.6
75.69569	0.3
77.03915	2.2
77.59750	0.3
79.05500	5.8
81.03417	0.9
81.07039	1.6
83.08649	0.4
84.08125	0.4
89.03922	0.8
89.35426	0.3
91.05490	4.4
92.02623	2.4
93.07030	2.8
95.04975	7.0
95.08604	1.0
102.04694	0.5
103.05469	97.7
104.05795	1.6
105.03409	2.3
105.04503	3.1
105.07034	1.7
105.31691	0.4
106.06558	1.2
107.04958	11.0
107.08602	4.6
109.06526	0.3
115.05478	0.8
117.03365	1.0
117.05766	0.9
117.07000	1.7
119.04945	3.3
119.08588	0.9
120.02071	0.5
120.08119	0.8
121.06510	1.2
121.10149	2.0
130.06531	2.7
131.04932	100.0
132.05247	2.4
132.08075	3.0
133.01843	0.7
133.02855	14.0
134.03255	0.4
135.04425	16.5
135.07991	1.9
135.11684	0.7
138.03111	0.5
145.02870	0.7
145.03937	0.4
145.06499	1.2
145.10146	1.5
163.03911	66.1
163.07541	24.5
163.11180	4.9
163.12347	2.2
163.14758	1.7
164.04288	1.4
164.08051	0.3
176.61336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02386	1.2
53.03952	4.5
55.01873	1.2
55.05515	7.4
57.03439	0.7
57.07073	2.8
65.03936	2.1
67.05500	2.7
69.03436	1.8
69.07071	20.3
71.48206	1.2
77.03932	1.6
79.05499	16.8
81.07066	9.3
83.08627	8.0
89.03924	1.7
91.05487	21.5
93.06583	0.7
93.07044	25.0
95.04981	5.1
95.08612	8.7
103.05471	94.0
104.05800	1.6
105.03384	1.0
105.04522	2.3
105.07036	18.1
107.04221	1.2
107.04958	28.4
107.08598	69.4
108.08134	0.9
108.08841	1.1
109.06506	1.7
109.10176	1.3
115.05445	2.0
117.03377	1.2
117.07032	5.2
119.04942	6.1
119.06092	1.1
119.08577	10.4
121.06505	3.9
121.10150	62.6
122.10481	1.3
123.08065	2.0
130.07808	1.9
131.04933	100.0
132.05296	3.1
132.08080	1.1
133.02808	3.9
133.06483	0.6
133.07594	1.7
133.10138	0.7
135.04419	7.3
135.08073	6.3
135.11696	31.9
136.07574	16.2
145.06477	5.0
145.10141	5.8
148.05183	1.3
148.08846	1.2
155.06119	0.8
163.03914	41.8
163.07547	60.9
163.11169	17.9
163.14828	19.7
164.04240	0.7
164.07025	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	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.5
53.03937	2.6
55.01871	1.0
55.03669	0.4
55.05502	1.2
57.07066	0.6
67.05505	1.1
69.03420	1.8
69.07070	4.2
71.04949	0.4
71.40267	0.7
76.38712	0.4
77.03928	1.7
77.51275	0.4
78.82144	0.4
79.05499	5.9
81.03389	0.4
81.07070	2.9
83.08624	1.2
85.02905	1.2
89.03916	1.5
91.05491	5.7
93.07050	8.4
95.04963	3.3
95.08616	2.1
102.04674	0.5
103.05473	94.2
104.05802	1.6
105.03420	0.9
105.04536	1.2
105.07040	5.4
106.06557	0.9
107.04963	6.5
107.08598	16.9
108.08925	0.5
109.06539	0.6
109.10162	0.7
115.05458	0.7
117.03381	1.2
117.05773	0.5
117.07013	3.6
119.04958	2.2
119.05736	0.3
119.08588	3.0
121.06522	2.1
121.10152	12.9
130.06535	1.6
130.07774	1.5
131.04936	100.0
132.05228	2.4
132.08121	1.6
133.02872	1.6
135.04427	4.3
135.08044	2.3
135.11696	4.7
136.07582	2.2
142.00317	0.4
143.08591	0.4
145.02841	1.0
145.06525	1.3
145.10115	5.3
148.08781	1.0
163.03912	19.0
163.07556	22.8
163.11172	12.3
163.12167	0.8
163.14816	5.2
164.04367	0.5
164.06981	0.8
168.36589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.6
53.03950	3.3
55.01876	2.0
55.05502	2.5
57.03442	24.1
57.07079	25.1
59.04996	1.8
59.73661	0.7
61.02929	0.9
63.02354	0.9
65.03951	1.0
65.27435	0.6
67.05510	7.2
69.03437	6.7
69.07073	7.6
69.15234	1.7
69.15645	5.7
71.05013	3.2
77.03926	1.5
79.05491	8.8
81.03452	0.7
81.07051	3.0
83.04987	0.6
83.08628	2.1
84.08178	0.9
85.02905	1.7
85.06548	20.3
89.03920	6.2
91.05493	11.4
92.02608	1.0
93.07048	13.4
95.04967	9.8
95.08610	2.8
99.08105	0.8
101.06024	2.1
102.04699	1.0
103.05471	86.7
103.07584	37.3
104.05785	1.3
105.03380	1.4
105.04499	1.5
105.07018	7.3
106.06537	1.8
107.04958	12.4
107.08597	25.0
108.12327	0.6
109.06522	1.0
110.69921	0.6
115.05457	1.4
117.03372	5.0
117.05758	1.2
117.07018	4.1
119.04953	5.3
119.08595	5.0
120.08150	1.0
121.06506	3.0
121.10161	15.8
123.08015	1.0
127.07583	1.3
129.07089	0.8
130.06570	3.9
130.07747	2.3
131.04935	100.0
132.05258	1.9
132.08109	4.3
133.02858	5.0
135.04416	14.2
135.05437	1.1
135.08034	3.5
135.11693	7.4
136.07568	2.1
143.08572	0.9
145.02882	3.7
145.06557	1.4
145.10126	7.2
148.05151	2.3
148.08778	0.8
149.34517	0.8
163.03908	46.9
163.07550	40.5
163.08615	1.6
163.11160	18.9
163.12289	1.7
163.14806	8.3
164.04286	0.9
164.07104	2.4
170.86546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03949	3.6
53.39200	0.7
55.01876	1.6
55.05512	4.8
57.03430	1.0
57.07075	1.7
65.03940	1.0
67.05508	2.4
69.03440	5.6
69.07070	9.4
71.25037	1.1
73.46740	0.7
77.03922	1.5
79.05489	13.1
81.07057	4.9
83.04994	0.8
83.08613	2.3
85.02895	1.0
89.03934	1.3
89.99635	0.7
91.05475	21.5
93.07047	41.5
93.25768	0.7
95.04971	4.4
95.08614	3.7
103.05466	7.9
105.04536	1.0
105.06313	1.3
105.07028	22.0
107.04978	4.6
107.08595	100.0
108.08902	0.9
109.06522	3.3
110.90832	0.8
115.05459	1.3
117.03375	0.8
117.07011	4.6
119.05051	0.9
119.06065	2.4
119.08576	12.9
119.68424	0.7
120.08864	0.9
120.09408	0.8
121.06482	4.1
121.10141	28.7
122.10477	0.8
123.08058	1.0
130.06535	1.1
130.07780	3.8
131.04918	7.4
133.02852	1.3
133.07611	0.7
133.10173	1.5
135.04424	2.9
135.08073	1.9
135.11694	78.3
136.07579	1.4
136.11964	0.9
137.09644	0.9
143.08606	0.8
145.02843	1.2
145.10114	13.1
163.03912	10.6
163.07515	3.3
163.11177	35.8
163.14825	9.1
164.07001	0.8
164.11499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02376	1.9
53.03944	11.6
55.01635	1.2
55.01874	16.2
55.05513	11.2
57.03441	6.0
57.07069	2.3
64.75537	1.1
65.03935	4.8
67.05508	22.0
68.99792	1.2
69.03424	12.7
69.07069	14.1
71.04984	3.6
77.03909	2.6
79.05495	61.2
81.03413	6.4
81.07055	32.6
83.04984	6.7
83.08598	4.6
88.80232	1.1
89.03910	9.8
91.05482	49.7
92.02616	2.7
93.07045	79.4
95.04971	23.2
95.08603	27.6
97.06569	1.8
103.05467	79.4
104.05765	2.3
105.03391	2.8
105.04496	4.3
105.07030	41.4
106.06521	3.3
106.07219	1.3
107.04956	45.6
107.08591	82.9
108.05325	1.2
108.08158	2.6
108.08913	1.6
109.06512	5.0
115.05479	6.2
116.06265	1.7
117.03367	7.2
117.05732	2.9
117.07019	39.0
118.06554	1.3
119.04942	9.4
119.08582	20.7
121.06506	27.5
121.10147	36.8
123.08089	1.0
129.06982	3.7
130.06621	6.0
130.07782	14.5
131.04932	74.3
132.05299	2.3
132.08089	5.8
133.02864	12.9
133.06487	2.3
133.10120	5.2
134.07214	1.2
135.04416	27.7
135.08043	13.6
135.10707	2.0
135.11685	29.3
136.07565	5.2
143.08560	4.2
145.02827	4.7
145.06508	8.6
145.10121	53.5
146.10428	1.4
147.08090	1.2
148.05165	2.9
148.08829	3.5
163.03905	96.7
163.07547	35.2
163.11172	100.0
163.14804	18.6
164.04257	1.8
164.07018	2.1
164.11604	2.2
164.77214	1.0
172.59171	1.2
172.69884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.32377	0.8
51.02359	1.3
53.03949	9.5
55.01862	1.4
55.05270	1.3
55.05511	16.5
57.03432	1.7
57.07068	2.7
61.02931	6.4
65.03928	1.3
67.05509	40.6
69.03439	1.4
69.06730	1.5
69.07070	19.2
69.88575	1.1
71.06103	2.4
73.02910	2.7
77.03916	3.1
77.33453	1.0
78.39222	0.8
79.05497	87.3
80.05804	1.0
81.03415	2.1
81.07058	65.6
82.07392	1.3
83.08623	8.7
85.02914	4.7
89.03925	1.7
91.05479	22.0
92.02615	3.0
93.07050	90.4
94.07359	1.5
95.04964	9.2
95.08614	58.3
97.10172	1.9
103.05470	25.7
105.03398	3.3
105.04512	4.3
105.07032	7.2
107.04963	12.2
107.08600	78.6
108.08887	1.0
109.10162	4.2
117.05766	1.7
117.07002	2.0
119.04959	4.5
119.08578	5.2
120.02122	1.1
120.08110	1.3
121.06514	1.9
121.10149	100.0
122.10466	1.3
130.06534	4.4
130.07866	0.9
131.04927	27.6
132.08107	3.7
133.02863	13.5
135.04419	14.6
135.08055	2.0
135.11717	12.0
145.06505	1.1
145.10127	5.1
163.03912	70.8
163.07539	7.3
163.11162	17.0
163.12411	3.6
163.14828	71.2
164.04289	1.6
164.15208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02361	1.1
53.03954	6.6
55.05512	15.7
57.07077	2.0
61.02919	1.1
65.03925	2.1
67.05509	43.7
69.03459	1.0
69.07066	19.0
69.21470	8.8
69.21879	2.5
72.48428	1.0
77.03943	1.9
78.04641	1.3
79.05495	89.3
81.07059	66.2
83.08620	9.4
91.05482	22.1
93.07046	90.1
95.04974	5.9
95.08611	69.0
97.10172	2.8
103.05492	2.4
104.05002	15.5
105.04532	3.6
105.05785	20.4
105.06990	7.2
106.06580	1.2
107.04957	4.5
107.08596	75.9
109.06540	1.1
109.10160	3.9
117.07016	2.5
118.06529	1.9
119.04940	1.4
119.08578	4.5
120.04482	7.1
121.06508	4.3
121.10149	100.0
122.10487	1.8
130.06555	1.9
131.04994	1.3
132.04460	10.3
133.02898	5.3
133.05228	9.6
133.10109	1.4
135.04445	5.4
135.08040	1.4
135.11682	10.7
148.03943	2.4
149.04704	1.6
162.05528	4.7
163.03905	28.6
163.06232	3.9
163.07483	1.3
163.11179	10.7
163.14828	71.0
164.15228	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03932	3.5
55.01869	1.1
55.05516	8.3
57.03971	0.7
57.07090	4.3
65.03933	2.0
67.05489	3.6
68.50237	0.8
69.03409	1.7
69.07072	46.5
69.14349	8.1
72.71407	0.7
77.03928	2.5
79.05496	18.0
81.07053	9.9
83.08623	8.4
85.02908	1.9
89.03906	3.7
91.05485	17.7
93.07049	31.3
95.04974	3.7
95.08612	10.7
98.21539	1.6
102.04695	1.7
103.05474	69.0
104.05775	1.7
105.04520	1.1
105.07037	13.7
107.04962	9.0
107.08601	100.0
109.06498	3.0
109.10155	2.4
115.05434	1.0
117.03432	4.9
117.07033	2.2
119.04949	2.0
119.06044	2.4
119.08580	7.0
120.09373	1.6
121.06428	1.8
121.10152	56.4
122.10447	1.1
123.08118	1.2
130.04143	2.1
130.06519	1.7
130.07765	1.2
131.04938	76.3
132.05269	1.6
132.08069	2.2
133.02878	2.2
133.07603	1.5
133.10133	1.3
134.10899	1.2
135.04419	9.4
135.08066	2.2
135.10715	1.6
135.11707	22.7
136.07581	2.8
145.02888	2.3
145.06442	1.0
145.10098	4.8
148.05191	5.8
159.21106	0.9
163.03925	23.7
163.07550	23.7
163.11160	9.4
163.14828	41.7
164.15144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03936	2.3
53.29290	0.7
55.01851	0.8
55.05513	9.6
57.03424	1.6
57.07081	5.2
65.03931	1.1
67.05499	3.0
69.03416	2.2
69.07072	29.9
70.50790	1.0
70.51122	1.9
77.03912	1.5
79.05492	18.6
81.07057	11.5
83.08620	9.3
89.03909	1.3
91.05486	20.7
93.03342	0.8
93.07049	39.4
95.04948	3.7
95.08073	0.9
95.08622	10.8
103.05483	13.5
105.04504	1.6
105.07034	25.0
107.04981	5.3
107.08595	100.0
108.08792	1.0
108.09418	1.8
109.06499	2.2
109.10155	2.0
110.04703	1.0
115.05412	1.1
117.07011	5.9
119.04938	1.8
119.06053	2.1
119.08587	11.9
120.09388	0.9
121.06528	1.7
121.10149	77.7
122.10476	1.3
123.08069	2.2
129.07048	1.2
130.07777	2.3
131.04926	11.5
133.02856	2.7
133.07607	1.0
133.10083	1.6
134.10899	1.0
135.04442	4.9
135.08072	2.5
135.11694	38.4
136.07574	2.9
136.12070	0.9
145.02892	0.8
145.06493	1.2
145.10130	11.8
151.16270	0.8
163.03922	18.0
163.07547	5.6
163.11185	15.5
163.12543	1.3
163.14827	28.8
163.16129	1.7
164.07021	1.5
164.11516	1.0
170.60040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01870	1.2
55.05511	9.6
56.42876	0.8
57.02335	0.8
57.03445	4.8
57.07075	4.6
62.41801	1.0
62.55373	0.8
65.03934	1.3
67.05505	3.9
69.03436	1.6
69.07072	31.1
69.95267	4.0
77.03930	2.0
79.05076	1.5
79.05499	19.3
80.05019	1.2
81.03392	0.7
81.07060	12.7
83.08617	8.7
85.02922	1.2
89.03905	2.6
91.05482	21.3
92.10892	1.0
93.07049	35.7
95.04975	4.4
95.08614	12.3
98.20766	1.1
103.05469	24.8
104.05769	0.9
105.04520	1.2
105.07038	35.2
107.04964	8.8
107.08599	100.0
108.08824	1.1
108.09438	1.4
109.06523	2.7
109.10136	2.6
114.28850	0.9
117.03372	1.6
117.07027	8.4
119.04971	3.3
119.06098	1.9
119.06890	2.3
119.08598	11.3
121.06507	2.9
121.10152	73.4
122.10431	1.0
123.08060	1.3
123.81302	0.9
129.07018	1.3
130.06549	2.5
130.07797	8.9
131.04933	23.1
132.08087	2.6
133.02847	3.6
133.07585	1.5
133.10158	1.8
135.04419	9.2
135.08047	3.0
135.10706	1.9
135.11694	29.7
136.07570	2.6
143.08582	2.3
145.02863	1.0
145.06503	1.3
145.10133	28.8
146.10503	0.9
148.08873	1.1
163.03915	29.2
163.05258	1.5
163.07550	8.2
163.11177	19.9
163.12367	1.9
163.14830	35.2
164.07158	1.7
164.15208	1.2
171.86497	0.9
182.21925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	1.6
55.01852	0.3
55.05510	8.5
57.07064	1.1
57.97205	0.4
59.04012	0.4
65.03947	0.9
67.05507	5.8
69.07069	22.1
70.94001	0.7
70.94336	0.6
77.03922	1.0
78.04710	0.4
79.05494	21.5
81.07057	35.7
82.07400	0.7
83.08617	6.1
89.03919	0.7
89.74657	0.4
91.05479	11.2
93.07046	39.3
94.07352	0.5
95.04966	1.1
95.08609	27.3
97.10161	0.6
103.05471	22.5
104.05801	0.4
105.04488	0.5
105.07027	6.7
105.61858	0.4
107.04993	2.2
107.08594	100.0
108.08921	1.4
109.06522	1.1
109.10155	2.3
117.03360	0.5
117.06963	0.5
119.04933	0.9
119.06018	1.1
119.08592	2.5
120.09385	0.4
121.06544	0.6
121.10144	31.4
130.07780	0.6
131.04932	24.5
132.05295	0.7
133.10138	0.8
135.04428	1.2
135.11691	12.6
136.07582	0.5
145.10117	1.1
163.03908	6.3
163.07547	5.5
163.11174	4.9
163.14822	53.3
164.15193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.30779	0.5
53.03951	2.7
55.05513	11.5
57.07083	4.6
65.03960	1.5
67.05517	3.2
67.37045	0.5
69.03423	1.5
69.07072	34.6
69.57951	1.3
69.58356	3.2
71.08636	0.7
77.03947	1.0
79.05499	14.6
81.07053	5.2
83.08626	13.4
89.03946	0.9
91.04911	0.7
91.05487	16.7
93.07047	31.8
95.04970	3.2
95.08609	7.0
103.05461	8.7
105.03400	0.7
105.04530	1.2
105.07038	19.7
106.07778	0.6
107.04963	6.9
107.08600	83.3
108.09444	4.5
109.06533	2.2
109.10167	3.1
117.07025	1.0
119.04974	2.5
119.06041	1.5
119.08586	7.6
120.09454	0.6
121.06557	1.3
121.10149	100.0
122.10506	1.8
123.08064	1.9
127.16846	0.6
130.06572	0.8
130.07748	0.6
131.04926	7.1
133.02872	1.8
133.07626	1.1
133.10197	1.5
134.10927	1.6
135.04414	4.3
135.08098	1.2
135.11700	23.0
136.07584	8.3
143.08598	0.7
145.02878	1.0
145.10161	2.8
163.03915	21.4
163.05252	1.1
163.07556	3.7
163.11180	6.6
163.14830	27.9
164.04311	0.7
164.07080	1.4
172.98666	0.7
174.75676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.62679	0.6
53.03952	5.2
55.01858	1.6
55.05513	13.6
57.07077	4.8
65.03943	1.7
67.05492	4.6
69.03414	2.1
69.07070	35.4
69.18316	4.3
69.18741	2.5
71.08608	1.2
77.03924	2.3
79.05494	20.6
80.05003	0.8
80.05798	0.8
81.03411	1.1
81.07055	9.7
83.08159	0.9
83.08623	14.4
89.03904	2.9
89.62574	0.7
91.05479	25.9
93.07047	42.1
95.04974	5.1
95.08615	10.0
103.05472	27.7
105.03391	1.4
105.04512	1.6
105.07035	24.9
106.06570	1.5
107.04962	15.0
107.08594	97.1
108.08134	1.7
108.09444	3.7
109.06519	3.3
109.10139	3.5
115.05453	1.7
117.03369	1.3
117.07009	6.2
119.04939	4.9
119.06084	2.1
119.08580	12.5
120.04450	6.4
120.09393	1.4
121.06518	2.9
121.10144	100.0
122.06057	1.0
122.10482	2.5
123.08061	2.3
130.06520	4.2
130.07774	1.9
131.04933	28.8
132.08105	3.7
133.02837	4.7
133.06593	0.7
133.07632	2.3
133.10146	1.7
134.10872	2.2
135.04411	9.4
135.08083	3.7
135.11688	33.4
136.06531	1.5
136.07573	26.7
145.02849	1.0
145.06522	4.3
145.10121	6.3
147.09094	0.7
148.08812	1.1
148.12335	0.9
163.03909	40.8
163.06052	1.7
163.07544	13.8
163.08815	1.1
163.11176	18.9
163.12373	1.8
163.14819	32.2
164.04224	1.0
164.07011	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	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03943	5.2
55.01867	1.6
55.05513	9.7
57.07076	2.9
65.03950	2.7
67.05506	6.3
67.40931	0.6
69.03428	2.1
69.07069	29.3
70.93005	1.5
71.04994	0.6
71.08638	0.8
71.49673	0.7
75.00672	0.8
75.76133	0.6
77.03938	1.7
79.05495	25.7
81.03402	1.1
81.07056	24.5
83.04985	0.7
83.08624	7.5
85.02909	1.8
89.03407	1.1
89.03920	9.1
91.05483	19.7
93.07045	40.7
95.04980	5.8
95.08607	18.6
103.05469	33.3
105.03381	1.5
105.04505	1.8
105.07031	16.3
106.07890	0.8
107.04960	14.6
107.08595	100.0
108.08186	0.9
108.08866	1.5
108.83922	0.7
109.06511	2.5
109.10149	2.0
115.05454	1.9
117.03383	9.8
117.07031	5.1
119.04950	4.0
119.06015	0.7
119.08591	7.3
121.06538	3.7
121.10147	48.2
122.10469	1.0
126.05520	1.0
130.06543	1.7
130.07805	1.6
131.04930	38.8
132.05281	0.8
132.08096	2.4
133.02827	4.6
133.07605	1.2
133.10129	1.3
135.04430	18.2
135.08096	4.0
135.10706	1.3
135.11697	20.9
136.07579	12.8
145.02882	4.5
145.06461	3.0
145.10127	8.3
147.08041	1.2
148.05212	1.4
148.08826	2.0
163.03905	39.6
163.07541	18.9
163.11179	28.3
163.12317	1.5
163.14828	44.7
164.04263	0.9
164.07013	1.6
164.15158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03953	0.8
53.31945	0.1
55.05518	0.2
67.05495	0.6
69.03433	0.2
69.68359	0.9
72.61472	0.1
77.03925	0.3
79.05486	0.5
80.05025	0.2
80.05822	0.4
81.03415	0.2
81.07072	0.5
82.01490	0.2
82.07398	0.2
90.86321	0.1
91.05494	0.8
92.05820	0.3
93.07046	0.3
94.07368	0.3
95.04970	0.9
95.08604	0.3
96.04490	0.3
96.05322	0.1
96.08925	0.2
100.02486	0.9
104.05000	3.5
104.05705	0.2
105.04559	0.4
105.07025	0.2
106.03757	0.1
107.05010	0.2
107.08610	0.2
108.05276	0.2
108.08142	0.2
108.08939	0.5
109.06507	0.2
118.03541	0.3
119.01955	0.9
119.04959	0.9
119.08578	0.5
120.05260	0.3
121.06549	0.2
121.10191	0.3
122.06039	0.2
122.10463	0.3
123.04479	0.2
124.02505	0.2
131.06924	0.2
132.04457	100.0
133.04802	2.1
133.08485	0.2
134.03230	0.7
136.04813	0.8
136.05762	0.1
136.07570	0.6
137.02913	0.2
142.03517	0.5
146.06017	0.2
146.10468	0.2
147.04417	1.5
147.11702	0.2
150.05499	0.4
160.04512	0.2
164.04309	3.2
164.07059	4.2
164.08385	0.2
164.10628	0.4
164.15219	0.3
165.05521	0.1
165.12759	0.3
173.07104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03949	2.8
54.04288	0.1
55.01864	0.1
55.05526	0.4
59.35031	0.1
65.03941	1.0
67.05514	1.1
70.02974	0.2
70.58736	0.1
70.59092	0.5
77.03925	1.0
78.04763	0.2
79.05497	1.5
80.05038	0.5
81.03444	0.4
81.07057	1.0
91.05486	8.7
92.05829	0.2
93.05793	1.4
93.07048	5.0
94.06595	0.5
94.07395	0.3
95.04977	3.0
95.08603	0.6
96.04539	0.2
100.11275	0.2
102.18925	0.1
104.05812	0.5
105.04533	1.3
105.07044	0.2
106.07365	0.2
107.04964	0.2
107.08614	0.3
108.04496	0.9
108.05224	0.3
108.08125	4.0
108.08890	0.4
109.06551	0.3
109.10180	0.6
118.06592	0.3
118.13464	0.1
119.01967	0.2
119.04950	1.3
119.08569	0.3
121.05231	0.2
122.06046	1.7
122.10450	0.2
123.04399	0.3
123.11699	0.2
126.05527	2.7
132.05333	0.7
136.07584	100.0
137.06053	0.1
137.07944	2.1
137.09624	0.5
140.07077	2.6
147.04420	2.4
151.24855	0.2
164.04326	0.6
164.07063	12.0
164.11598	0.3
165.07390	0.3
165.09081	0.4
165.12753	0.4
182.68315	0.2
184.68704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02400	0.3
51.85612	0.2
53.03947	3.3
59.78806	0.2
65.03952	0.8
67.01876	0.3
67.05521	0.9
69.07079	0.4
70.01231	0.8
70.01637	0.4
77.03920	1.1
79.05484	1.4
80.05054	0.4
81.03438	0.7
81.07082	0.9
91.05486	8.2
93.05780	1.4
93.07041	5.1
94.06584	0.5
95.04975	2.8
95.08609	0.4
104.05800	0.4
105.04506	1.4
105.07034	1.0
107.04943	0.3
107.08611	0.3
108.04482	1.4
108.08128	3.9
108.08852	0.4
109.06503	0.4
109.10214	0.3
118.06548	0.3
119.04957	0.8
119.08602	0.6
121.10165	0.6
122.06029	2.1
126.05529	2.5
132.05273	0.4
133.06503	0.5
136.07579	100.0
137.05977	0.6
137.07030	0.3
137.07950	1.7
137.09625	2.1
140.07059	2.5
146.06073	0.3
147.04385	1.2
147.11708	0.3
164.04298	0.6
164.07059	12.7
164.11575	0.4
165.07408	0.4
165.09065	0.7
165.12737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.3
53.03949	3.3
55.05547	0.3
65.03978	0.8
66.96159	0.2
67.05506	1.5
68.82281	0.2
69.03471	0.3
69.07104	0.3
69.45374	1.8
77.03919	1.2
78.95306	0.3
79.05492	1.6
80.05043	0.5
80.05836	0.3
81.03428	0.5
81.07053	1.2
82.07413	0.4
82.17639	0.3
91.05484	9.8
92.05811	0.6
93.05806	1.3
93.07050	6.1
93.07635	0.3
94.06587	0.6
94.07405	0.7
95.04977	3.0
95.08643	0.5
99.16387	0.2
103.05460	0.4
104.05823	0.8
104.51162	0.2
105.04528	1.3
105.07057	0.5
106.07374	0.4
107.07330	0.4
107.08632	0.8
108.04491	1.0
108.05212	0.3
108.08147	3.6
108.08956	1.3
109.06543	0.8
109.10204	0.4
118.06499	0.3
119.04937	4.2
119.08591	1.0
121.06492	0.3
121.10160	0.5
122.06078	2.0
122.06871	0.3
122.10498	0.9
123.04435	0.8
123.08076	0.5
126.05513	2.3
132.05293	0.7
134.03178	0.3
136.07584	100.0
137.07948	2.0
137.09599	0.8
140.07051	2.7
146.10460	0.5
147.04425	7.0
147.11728	0.3
164.04335	1.2
164.07048	12.2
164.11670	1.4
164.15157	0.8
165.07626	0.2
165.09093	1.1
165.12744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02395	0.3
53.03946	3.1
53.04172	0.2
55.01888	0.3
55.05517	0.3
56.49568	0.2
64.84305	0.1
65.03957	0.6
67.05501	0.9
69.03436	0.3
70.02966	0.3
71.09332	0.4
77.03924	1.2
78.04735	0.3
79.05495	1.5
80.05023	0.4
81.03442	0.5
81.07062	0.8
83.50100	0.2
91.05481	9.3
92.05845	0.3
93.05789	1.5
93.07042	5.1
94.06585	0.8
94.07415	0.3
95.04971	2.7
96.04530	0.2
103.05439	0.3
104.05819	0.8
105.04521	1.5
105.07003	0.3
107.04984	0.2
107.08611	0.4
108.04486	1.5
108.05267	0.5
108.08128	3.9
108.08878	0.4
109.06561	0.3
118.06537	0.4
118.07395	0.2
119.04939	2.6
119.08572	0.5
121.05225	0.2
121.10135	0.3
122.06032	2.0
122.10450	0.2
123.04420	0.2
123.11689	0.2
124.47530	0.2
126.05518	2.1
132.04436	0.2
132.05295	0.9
136.07579	100.0
137.07936	2.1
137.09618	0.6
138.20279	0.2
140.07059	2.5
146.10439	0.2
147.04413	5.1
147.08089	0.2
147.11668	0.2
164.04311	1.0
164.07057	12.0
164.11676	0.2
165.07330	0.2
165.09096	0.5
165.12732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1072
Annotation	Streptazone D
Peak:m/z	Relative Intensity
53.03954	1.3
54.64894	0.6
57.03440	62.5
57.21718	0.7
57.86211	0.6
67.05511	1.7
69.07099	1.1
71.09148	1.5
79.05506	1.0
80.05032	2.6
80.05827	0.9
80.44456	0.6
81.07037	3.7
82.01481	0.6
91.05491	7.8
91.78360	0.7
92.05843	1.2
93.07063	2.2
94.07413	0.9
95.04963	3.7
95.08633	1.8
103.05491	1.3
104.05806	3.3
105.04482	0.8
105.07005	1.6
107.08595	1.9
108.08122	100.0
109.06527	1.2
109.08450	2.0
109.10139	1.6
117.06948	0.5
118.07282	0.6
119.04958	11.5
119.08575	2.1
121.06565	0.8
121.10147	1.5
123.04460	0.7
123.05414	0.6
123.11685	0.7
126.90520	0.7
132.05254	3.9
136.07582	11.8
137.06004	1.2
137.09654	3.5
146.06879	1.0
146.10446	0.7
147.04419	19.6
147.11729	0.9
149.02315	0.8
158.60500	0.7
164.04367	3.4
164.06915	4.9
164.10686	34.0
164.15250	1.1
165.05449	1.0
165.09151	4.3
165.12752	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32153	0.8
70.68425	1.8
82.01429	1.0
82.99847	12.7
100.02479	1.4
101.00890	88.2
102.01017	2.2
111.00443	0.9
119.01930	100.0
120.01991	3.6
124.02461	15.0
128.02872	0.7
137.02972	11.4
142.03510	85.2
143.03636	2.7
158.25121	0.6
160.04578	11.1
165.05113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03956	3.2
53.63495	0.5
55.01875	1.0
55.05511	0.9
56.05037	0.9
56.44822	0.5
56.96568	11.2
57.03440	3.1
58.99876	0.6
60.95857	0.5
61.02908	0.5
65.03941	1.2
66.07489	0.4
67.05500	1.7
68.98303	0.7
69.03436	5.5
69.07082	0.7
70.06597	1.9
70.98119	0.6
70.99862	1.6
71.06939	0.6
71.08218	0.8
71.95270	1.2
71.98346	0.5
72.08157	1.7
73.02930	1.3
74.02444	1.4
77.00876	0.5
77.03934	1.0
81.03437	2.1
81.07065	1.7
82.01440	0.9
82.99848	7.3
83.04983	1.4
84.04514	1.2
84.08153	6.8
84.23657	0.5
84.96044	1.3
85.02909	2.0
86.09712	1.3
89.00867	0.5
90.02284	0.5
91.05487	20.0
93.01936	0.5
93.07056	1.3
95.04974	58.5
95.89282	0.5
96.05315	0.7
97.01407	1.1
97.02916	1.9
98.97598	1.8
99.04447	0.7
100.02518	2.2
101.00889	52.1
101.05997	0.6
102.01009	1.7
102.02386	0.8
103.02402	0.5
103.05481	5.1
105.04530	1.7
107.04961	1.4
109.02894	1.7
109.06503	2.8
110.07162	0.7
111.02959	0.8
113.00856	1.2
115.02459	2.7
117.04013	0.7
118.01109	0.5
118.03474	0.7
119.01930	100.0
119.04947	46.9
120.02010	2.6
120.05315	0.8
121.06530	2.2
123.04436	78.7
124.02460	9.7
124.04848	0.9
124.95517	0.5
125.00883	0.6
127.03941	1.0
129.10222	1.4
130.08615	0.8
131.01884	2.5
132.02023	0.6
132.05055	0.7
133.01683	0.5
133.03479	1.3
137.02963	15.5
137.06024	3.4
138.03217	0.6
138.05560	0.6
142.03508	68.9
142.94946	0.7
142.96558	1.0
143.00195	0.7
143.01924	2.5
143.03661	2.0
145.03499	1.6
147.04401	19.7
147.05539	1.0
155.00143	0.8
155.01894	0.5
157.03510	1.3
160.04568	11.7
161.01181	0.5
161.01602	0.6
161.02969	4.8
165.04028	1.9
165.05431	2.4
165.07758	0.5
165.09009	0.6
166.07314	0.9
166.08582	0.6
167.05602	0.6
173.02844	0.6
179.04033	0.7
182.99667	1.9
183.05013	1.1
184.04596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23328	0.7
53.03933	1.0
53.69696	0.9
54.03466	3.1
55.02977	0.9
55.05491	1.6
56.01383	2.7
56.05045	7.6
58.06595	1.9
59.06118	0.8
67.02972	1.7
67.05497	3.5
68.05017	3.7
69.03426	1.3
69.04545	2.7
69.45009	5.1
70.06588	3.3
79.05464	1.6
80.05035	2.2
81.04539	6.4
81.07060	2.2
82.04053	1.3
82.06584	4.1
82.99841	3.4
83.02472	25.3
83.06105	13.4
84.05598	1.0
84.06909	2.2
85.07668	2.4
89.40316	0.9
91.05495	6.3
93.07027	1.1
94.06528	1.1
95.04988	4.3
95.06094	3.4
95.08592	1.8
96.05611	1.5
97.06395	1.0
97.07654	6.0
98.07188	6.6
100.02476	1.3
101.00885	35.4
102.00954	1.0
105.07032	1.0
107.06120	5.7
107.08536	1.0
109.06499	1.1
109.07651	2.0
109.10133	3.1
110.07175	3.2
110.08389	1.0
111.07938	3.7
111.09190	2.9
112.08746	0.8
119.01926	100.0
119.04933	10.1
119.08574	2.9
120.02016	2.4
121.06494	1.0
121.07615	1.7
121.10108	1.1
122.07173	12.6
123.04477	4.5
123.05397	1.0
123.06715	4.6
123.07996	4.0
123.09160	7.8
124.02460	9.1
124.05087	8.1
124.08722	20.9
125.05892	1.3
125.07113	1.1
125.09516	6.2
129.63760	0.9
133.02826	1.5
136.08684	2.7
137.02969	26.8
137.05968	1.4
137.09541	4.4
138.06577	1.7
138.10252	4.8
142.03510	72.9
142.96678	1.4
143.03647	1.7
147.04407	12.0
147.06670	1.4
147.07932	1.8
148.08693	10.9
160.04575	19.0
165.05260	9.5
165.07703	6.5
165.09100	6.2
165.11359	29.3
165.12657	2.4
166.09779	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01871	0.6
55.05508	2.4
57.03432	0.6
57.07078	1.3
59.04987	0.5
65.03938	2.2
66.73633	0.2
67.05183	0.5
67.05510	5.7
69.03439	3.8
69.07066	2.0
71.04974	0.5
71.48642	0.4
79.05492	3.3
81.03419	3.2
81.06592	0.5
81.07061	8.7
81.65990	0.3
83.04984	1.2
83.08587	0.3
89.41841	0.2
89.74257	0.3
91.05486	33.2
92.05834	0.8
93.07052	2.5
95.04974	6.5
95.08611	9.1
97.06547	0.5
103.05476	0.8
105.07031	4.9
107.04955	0.5
107.08596	2.8
109.06521	4.7
109.10167	6.0
110.07150	0.3
117.07014	0.4
119.04948	53.2
119.08578	5.4
119.09383	0.5
120.05274	1.1
120.08099	2.3
121.06493	0.4
121.10147	2.3
122.07286	1.7
123.04439	2.3
123.08070	4.7
123.08953	0.3
123.11716	3.2
128.99507	0.3
133.02873	0.6
133.06479	0.3
136.07620	0.4
137.05980	1.9
137.07954	3.4
137.09605	6.3
137.10602	0.4
137.13243	2.2
142.03531	0.7
147.04414	100.0
147.11682	2.9
148.04750	2.0
150.10426	0.5
150.97112	0.3
152.49216	0.3
165.01840	0.6
165.05484	2.1
165.07021	0.9
165.09119	10.4
165.12762	23.5
166.04991	0.5
166.08618	0.4
166.13176	0.4
169.52649	0.3
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	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03973	0.4
57.32259	0.2
65.03939	1.8
67.05508	0.9
69.03440	0.3
69.07073	0.3
71.05566	0.6
79.05492	0.5
81.07061	1.0
85.29263	0.2
91.05487	30.2
92.05820	0.6
93.07066	0.4
95.04967	2.0
95.08608	0.8
98.02473	0.2
103.05464	0.3
105.07047	1.2
107.08580	0.8
109.06518	0.7
109.10180	0.5
110.34451	0.2
115.12984	0.2
119.04949	57.0
119.08575	1.8
120.05290	0.9
120.08128	0.4
121.10191	0.6
123.04442	2.2
123.08082	0.9
123.11678	0.4
133.02864	0.4
137.06018	0.5
137.09654	0.9
147.04417	100.0
148.02176	1.9
148.04755	1.9
156.53452	0.2
165.05476	1.1
165.09148	1.4
165.12781	1.0
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
53.03941	0.5
55.01865	0.4
55.05516	1.6
65.03925	1.9
67.05510	3.1
67.06414	0.3
69.03419	1.6
69.07064	0.9
69.67036	2.1
71.04992	0.3
77.03917	0.7
79.05495	2.4
81.03429	1.7
81.07061	4.6
83.04991	0.5
83.08617	0.8
84.14717	0.3
91.05486	30.0
92.05814	1.1
93.07050	2.6
95.01321	0.4
95.04975	3.4
95.08609	3.2
96.05280	0.4
101.00298	0.4
101.00916	0.8
103.05479	0.8
104.14809	0.3
105.04523	0.5
105.07033	4.8
107.04959	0.7
107.08598	3.4
109.06536	2.7
109.10147	1.5
117.07017	0.4
119.01929	1.0
119.04946	54.7
119.08580	3.9
120.05287	0.7
120.08118	0.9
121.06610	0.4
121.10162	2.6
122.07265	0.7
123.04440	3.1
123.08067	2.8
123.11700	1.5
126.27831	0.3
133.02869	0.8
133.06468	0.6
136.07550	1.6
137.06133	2.2
137.07939	11.4
137.09576	5.1
137.13197	0.5
138.05539	0.5
138.09148	0.8
141.07376	0.4
142.03525	0.7
147.04416	100.0
147.11691	2.3
148.04767	1.5
165.05472	1.5
165.07349	1.6
165.09084	2.3
165.12764	7.7
166.05013	0.4
166.08624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03946	0.8
55.05506	0.9
63.14465	0.2
65.03929	1.9
67.05511	3.3
69.03439	0.4
69.07050	0.5
69.39252	1.2
69.39655	0.7
77.03938	0.3
79.05489	1.8
81.07063	2.3
83.04971	0.6
91.05486	29.7
92.05805	0.4
93.07038	1.5
95.04959	2.7
95.08601	1.7
98.20815	0.6
103.05479	0.7
104.06245	0.6
105.07040	1.7
107.08586	1.1
109.06516	1.0
109.10170	3.4
117.07027	0.7
119.04949	52.5
119.08584	4.7
120.05254	0.5
120.08093	0.3
121.06525	0.5
121.10147	0.8
122.07293	2.3
123.04451	2.5
123.08058	1.1
123.11671	0.4
133.02837	0.6
133.06479	0.4
137.05977	1.1
137.08023	0.3
137.09622	9.8
147.04417	100.0
147.11679	0.7
148.04730	2.0
165.05577	1.2
165.09125	24.0
165.12769	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	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02394	0.3
53.03944	0.5
55.05517	0.7
59.14568	0.2
60.98816	0.2
64.83018	0.2
65.03947	2.0
67.05513	2.4
69.03424	0.3
69.07063	0.5
70.23212	0.7
70.23558	0.3
77.03938	0.2
77.75366	0.2
79.05505	1.4
81.03457	0.2
81.07063	3.3
83.04993	0.2
83.08620	0.2
91.05487	30.7
92.05822	0.4
92.99815	0.2
93.07069	1.7
94.04212	0.2
95.04977	4.6
95.08608	2.2
103.05461	0.7
105.07039	4.0
105.07709	0.4
107.04976	0.4
107.08620	1.2
109.06513	1.6
109.10155	1.6
117.07033	0.2
119.04949	57.5
119.08585	2.4
120.05299	0.6
120.08165	0.4
121.06539	0.4
121.10159	1.3
122.03718	0.4
122.07276	0.5
123.04442	2.2
123.08106	0.9
123.11745	0.6
124.05154	0.3
133.02831	0.4
133.06482	1.5
136.07622	0.6
137.06009	2.5
137.07962	3.5
137.09605	3.6
138.09192	0.3
142.03555	0.5
147.04419	100.0
147.11667	1.3
148.04755	2.3
165.01822	0.3
165.05525	1.5
165.07372	0.8
165.09116	6.1
165.12776	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01875	0.7
55.05506	1.7
57.03445	0.5
59.67767	0.2
65.03941	2.1
65.58192	0.3
67.05507	5.0
67.34206	0.2
69.03436	0.8
69.07080	0.8
70.02281	0.8
71.05019	0.3
79.05492	2.6
81.03422	1.2
81.07056	5.3
83.04970	1.3
83.08639	0.4
91.05483	31.7
92.05798	0.7
93.07050	2.1
94.04211	0.4
95.04968	7.6
95.08608	3.9
97.06532	0.5
98.21439	0.3
101.00879	0.4
103.05460	0.7
105.03364	0.3
105.07032	4.9
107.04986	0.6
107.08575	2.4
109.06536	2.7
109.10158	3.8
110.06025	0.3
110.09694	0.7
115.40099	0.2
117.73001	0.3
119.01944	0.9
119.04944	55.0
119.08582	4.9
120.05254	1.0
120.08136	1.3
120.08858	0.2
121.06499	0.6
121.10146	1.5
122.03612	0.3
122.07288	1.6
123.04459	2.9
123.08065	1.7
123.11705	0.8
133.02856	1.0
133.06493	1.3
136.07532	0.3
137.05991	2.8
137.08003	1.7
137.09618	6.8
137.13229	0.3
138.09146	3.6
142.03519	0.6
147.04410	100.0
147.11696	2.3
148.04755	2.0
159.04686	0.3
159.08150	0.3
165.01808	0.7
165.05486	2.3
165.07034	1.2
165.09113	14.4
165.11382	0.6
165.12758	6.6
166.08546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.01866	0.3
55.05510	0.5
57.03444	0.6
65.03930	1.7
67.05513	1.3
69.03429	0.4
69.07068	0.4
70.86494	0.6
79.05493	1.2
81.03419	1.4
81.07089	1.4
83.05005	0.4
91.05486	31.1
92.05792	0.4
93.07050	0.7
95.04969	3.3
95.08607	1.1
101.00879	2.5
105.07048	1.7
107.04984	0.4
107.08604	1.2
109.06573	1.3
109.10161	0.7
111.04414	0.3
119.01952	3.7
119.04947	54.0
119.08595	1.6
120.05263	0.5
120.08092	1.4
121.06451	0.3
121.10144	0.8
123.04443	3.2
123.08077	0.8
123.11742	0.4
133.02853	0.8
137.05975	1.3
137.09575	0.6
142.03497	2.7
147.04416	100.0
147.11687	1.0
148.04771	2.1
160.04520	0.5
165.05519	2.1
165.09142	1.1
165.10391	0.3
165.12836	0.9
166.04973	0.5
176.09947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03934	0.8
54.03467	1.6
55.02979	0.5
55.05511	3.0
56.01389	1.2
56.05035	3.7
58.06598	0.9
59.06122	0.6
65.03922	0.5
67.02980	0.6
67.05508	20.0
68.05028	2.2
69.03427	0.7
69.04543	1.0
69.07059	0.8
70.06580	1.6
71.06092	0.6
71.48932	1.0
79.05477	2.6
80.05001	1.6
81.04551	4.2
81.07056	8.0
82.04056	0.7
82.06580	1.6
83.02470	10.9
83.05004	3.3
83.06111	7.2
84.04484	0.9
84.06879	1.0
85.07671	1.0
91.05481	7.4
93.07039	2.0
95.04970	5.4
95.06078	1.8
95.08601	3.0
96.05627	0.9
97.03978	0.7
97.07666	3.3
98.07168	2.1
103.05439	1.0
105.07027	2.0
107.04967	3.7
107.06065	3.1
107.08598	2.0
109.06510	1.9
109.07635	0.7
109.10160	20.3
110.07153	1.9
111.07944	1.8
111.09193	1.3
112.08725	0.5
117.06999	1.3
119.01938	1.5
119.04972	3.2
119.08598	15.7
120.08125	0.8
121.06495	1.7
122.07261	16.8
123.04438	2.1
123.06672	2.0
123.08110	2.8
123.09167	3.6
123.11698	0.5
124.05073	3.5
124.08717	9.8
125.09482	3.4
136.08716	1.5
137.06007	1.6
137.09622	45.1
138.06606	0.9
138.10159	2.2
142.03511	1.0
142.96664	0.6
147.04417	4.4
147.06487	0.7
147.08018	1.1
147.11687	1.1
148.08684	5.0
160.04521	0.7
165.07869	3.9
165.09117	100.0
165.11365	10.3
165.12750	2.6
166.05028	0.8
166.09547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.14748	0.4
52.12309	0.5
53.03942	0.9
54.03458	0.7
55.01864	0.5
55.05516	3.3
56.01406	0.5
56.05045	3.6
58.06594	0.6
65.03947	0.7
67.05508	22.4
68.05024	2.0
69.03439	0.9
69.04546	1.0
69.07053	1.2
69.79809	1.2
69.80199	0.9
70.06590	1.1
79.05507	2.8
80.05013	1.3
81.04552	3.2
81.07058	8.0
82.06581	1.4
83.02473	7.1
83.04981	3.2
83.06104	5.0
85.07693	1.1
91.05492	7.7
93.07040	2.2
94.07849	0.5
94.16682	0.5
95.04974	6.3
95.06070	1.1
95.08602	4.0
96.05666	0.5
96.09800	0.5
97.07656	3.1
98.07173	1.7
101.00876	1.1
103.05453	0.9
105.04512	0.6
105.07038	1.5
107.04984	3.1
107.06055	2.0
107.08593	1.8
109.06535	2.6
109.07599	1.1
109.10165	19.3
110.07139	2.0
111.07915	0.9
111.09142	0.6
114.98860	0.5
117.06990	1.3
119.01926	2.3
119.04967	2.7
119.08591	16.8
120.04360	0.4
120.05593	0.5
120.08929	0.7
121.06522	2.1
121.07648	0.5
122.07272	18.6
123.04432	1.1
123.05479	0.6
123.06659	2.0
123.08018	2.1
123.09141	2.9
124.05092	1.8
124.08715	8.1
125.05947	0.6
125.07147	0.5
125.09521	2.4
133.02882	0.7
136.08713	0.6
137.05986	1.5
137.09622	49.1
138.06630	0.7
138.10110	2.4
142.03490	2.4
142.96672	1.0
147.04427	5.8
147.08011	1.3
147.11674	0.5
148.08690	4.7
165.07896	4.1
165.09119	100.0
165.11374	11.1
165.12764	3.5
166.09680	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	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03926	1.3
54.03460	1.3
55.01857	0.6
55.03801	0.5
55.05515	3.1
56.01380	1.0
56.05033	3.6
57.20039	0.5
58.06580	1.0
59.06120	0.5
65.03931	0.6
66.03451	0.4
67.02995	0.5
67.05505	19.7
68.05029	2.2
69.03413	0.8
69.04544	1.1
69.07067	0.8
70.06582	1.7
71.06128	0.8
79.05502	2.3
80.04989	1.7
81.04542	4.8
81.06612	0.5
81.07059	8.8
82.06562	1.6
83.01984	0.8
83.02462	10.5
83.04583	0.4
83.04990	3.8
83.05712	0.6
83.06105	6.4
84.04505	0.9
84.06880	0.9
85.07647	1.5
86.49107	0.5
91.05476	8.0
93.07017	1.4
93.53271	0.6
94.06561	0.6
94.07835	0.6
95.04979	3.9
95.06078	2.0
95.08610	3.0
96.05609	1.8
97.06458	0.6
97.07651	3.8
98.07207	2.3
103.05458	1.0
104.06243	0.6
105.07032	0.9
106.06589	0.5
107.04958	3.2
107.06067	2.9
107.08565	1.2
108.05610	0.6
109.04041	0.5
109.06491	2.2
109.07631	1.3
109.10156	20.3
110.07149	1.6
110.08404	0.6
111.07925	1.6
111.09196	1.3
112.08701	0.8
117.07001	0.8
119.01917	1.1
119.04942	3.4
119.08583	15.4
120.05653	0.5
120.08115	0.7
120.08900	0.6
121.06481	2.6
121.07607	1.0
122.07250	17.5
122.85099	0.5
123.04431	1.4
123.05646	0.5
123.06719	2.6
123.07974	2.0
123.09197	3.9
124.05116	2.9
124.08720	11.3
124.09517	0.5
125.07080	0.8
125.09502	3.3
131.06000	0.5
133.02818	0.7
136.08716	1.3
137.05957	1.5
137.09615	46.7
138.06621	1.1
138.10204	2.7
142.03462	0.9
142.96713	0.9
147.04427	5.5
147.06627	0.5
147.07994	0.9
147.11668	0.8
148.08661	4.3
165.07848	4.5
165.09111	100.0
165.11356	13.1
165.12729	1.6
166.04910	0.7
166.09528	1.9
166.10808	0.4
181.22823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.34517	0.6
53.03946	2.5
55.01852	0.8
55.05510	4.2
57.03426	1.8
57.07069	1.1
65.03938	2.2
67.05507	19.0
69.03419	2.0
69.07071	3.7
70.63426	1.0
70.63746	1.1
71.04966	0.9
79.05495	10.8
81.03407	2.1
81.07060	27.0
83.04964	2.1
83.08577	0.8
91.05485	29.7
93.07052	7.6
95.04973	4.8
95.08613	18.4
101.00880	1.8
103.05462	3.3
104.06248	1.8
105.07050	9.8
107.04957	2.6
107.08604	18.2
109.02879	0.7
109.05807	1.0
109.06523	11.2
109.10163	20.9
115.05466	0.8
117.07021	4.0
119.01917	2.3
119.04947	22.4
119.08589	25.7
120.08135	5.5
120.08881	1.1
121.06485	3.3
121.10143	6.1
122.07298	12.3
123.04416	2.8
123.08073	19.5
123.11705	6.2
127.07564	3.1
133.02867	2.1
135.08080	1.7
136.08833	2.8
137.06020	3.3
137.09622	64.9
137.13214	2.7
138.09953	1.7
142.03516	1.7
147.04420	39.2
147.08060	6.8
147.09152	1.2
147.10527	0.6
147.11693	11.7
148.04776	0.8
150.10370	0.9
154.21664	0.6
157.68079	0.7
165.05586	3.7
165.09122	100.0
165.12755	31.7
166.09470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.13803	1.4
53.03936	6.7
55.01871	3.5
55.05511	78.1
56.96571	3.2
57.03437	3.8
57.07060	2.6
59.04992	3.5
65.03933	3.3
67.05506	21.7
69.03417	4.3
69.07072	7.7
69.84777	2.9
69.85189	4.8
71.04971	6.1
79.05489	19.7
81.03403	6.3
81.07057	45.9
83.04976	10.7
83.08158	2.2
83.08619	27.1
85.06532	2.6
91.05480	57.1
93.07050	22.5
95.04963	39.6
95.08602	36.5
98.21489	2.2
101.00892	8.7
103.05493	9.0
105.07034	46.2
107.04932	4.5
107.08593	31.4
107.62824	1.3
109.06517	48.7
109.10146	12.6
111.08083	3.5
117.06999	3.2
119.01926	15.3
119.04943	59.7
119.08582	39.7
120.05271	2.0
120.08116	32.2
121.06471	4.3
121.10146	19.0
122.07304	3.0
123.04424	15.7
123.08070	53.0
123.08964	2.8
123.11705	16.3
124.02427	1.6
131.04889	1.6
133.02859	4.0
133.06474	5.3
136.07538	2.3
137.06015	15.4
137.07889	5.2
137.09610	16.6
137.13226	3.5
142.03481	9.3
142.96683	2.3
145.10068	2.1
147.04410	100.0
147.08090	9.4
147.11694	28.7
148.04803	1.9
148.07520	1.8
150.10408	1.9
160.04665	1.7
165.01878	1.8
165.03700	2.2
165.05463	9.5
165.07336	5.0
165.09096	33.1
165.10516	2.1
165.12753	46.6
166.04997	2.1
166.08516	2.0
166.12187	1.7
178.98483	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03948	1.6
55.01886	1.7
55.05513	5.4
57.03442	2.1
57.07076	1.8
59.05004	1.4
65.03931	3.0
67.05507	15.6
67.05838	1.1
69.03439	3.7
69.07071	4.7
69.80077	3.3
71.04992	1.3
72.48758	0.6
77.03967	0.8
79.05492	11.6
81.03432	3.0
81.07057	28.4
83.04993	3.8
83.08615	0.7
85.06555	1.2
91.05486	46.9
91.45821	0.6
92.05801	1.5
93.07050	9.4
94.04209	0.8
95.01332	1.1
95.04967	9.9
95.08609	20.7
97.06571	1.2
101.00904	1.9
103.05487	3.4
104.06262	1.0
105.03384	0.8
105.04520	0.6
105.06306	0.9
105.07043	15.8
106.07400	0.7
107.04977	2.7
107.08600	22.6
108.05740	0.7
109.02899	0.8
109.06524	16.7
109.10164	15.0
109.68140	0.6
110.07232	0.9
110.09694	0.7
115.05447	0.9
117.07025	2.9
119.01962	4.3
119.04948	54.9
119.08585	23.5
120.05273	1.5
120.08125	10.0
120.08947	1.0
121.06510	2.0
121.10146	9.8
122.07303	7.5
123.04457	5.6
123.08078	24.5
123.08971	1.2
123.11703	9.1
127.07565	4.1
131.04967	0.7
133.02847	4.1
133.06506	0.9
135.08026	0.7
136.08827	1.7
137.06018	7.2
137.08073	3.4
137.09619	39.1
137.13208	3.2
138.09068	1.3
142.03503	3.0
142.96709	0.7
147.04416	100.0
147.08095	6.0
147.09158	1.2
147.11682	16.8
148.04752	2.3
150.10397	0.9
165.01868	1.0
165.05467	7.5
165.06964	2.9
165.09123	62.0
165.12772	34.5
165.16434	1.0
166.04987	1.8
166.08623	2.3
166.09807	0.7
166.13133	1.2
184.54184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03934	1.7
55.05518	9.4
57.03437	4.5
57.07078	6.0
59.04993	4.5
65.03938	4.2
67.05511	35.3
69.03446	8.7
69.07080	11.1
69.81786	5.6
79.05495	15.5
79.71931	1.0
81.03436	5.6
81.07064	35.1
83.04996	3.4
83.08619	4.2
84.12749	1.0
91.05489	26.9
92.85839	1.3
93.07049	9.3
95.04976	53.1
95.08618	31.0
97.06518	2.0
103.05489	1.9
105.07035	18.2
107.04951	4.3
107.08604	44.4
108.05748	2.0
108.08920	1.8
109.05808	1.9
109.06532	28.9
109.10163	4.5
110.07301	2.4
117.07019	3.9
119.04954	13.4
119.08596	40.1
120.08121	2.5
121.06531	2.5
121.10143	10.5
122.07360	1.1
123.04511	1.2
123.08082	41.3
123.11714	28.4
129.07033	1.7
132.05730	5.8
135.11656	1.6
137.05972	1.3
137.09618	5.7
137.13264	6.0
147.04427	27.3
147.08073	19.3
147.11713	11.1
148.08435	1.2
165.09119	9.0
165.12772	100.0
166.13118	1.5
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
53.03959	5.6
55.05521	5.1
57.03418	1.1
57.07061	3.0
59.05000	2.2
65.03940	1.2
67.05514	10.5
69.03434	21.7
69.07088	8.7
70.82560	2.3
71.04985	1.6
79.05489	4.3
81.02985	1.8
81.03421	18.9
81.07064	20.2
83.04974	2.9
83.08565	1.2
91.05486	12.8
93.07075	6.8
95.04973	13.9
95.08606	19.3
103.05454	2.3
103.88430	1.0
105.07039	9.9
107.08613	6.4
109.06535	16.7
109.10151	4.5
110.07285	2.3
111.08072	1.6
119.04950	15.1
119.08588	11.5
120.08034	1.2
121.06515	1.4
121.10161	6.7
123.04438	2.5
123.08078	19.5
123.11709	11.2
133.06633	1.1
133.07631	1.2
133.59648	1.0
137.06012	1.3
137.07942	9.1
137.09595	6.2
137.13252	3.4
147.04422	25.4
147.08104	1.2
147.11676	6.5
165.05434	1.3
165.09103	4.3
165.12766	100.0
166.13182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
55.01874	2.1
55.05507	4.5
55.83115	1.5
57.03422	4.2
57.07084	2.1
64.18513	1.4
67.05509	13.4
69.03439	3.5
69.07051	5.1
69.26083	1.5
69.31162	8.2
69.31567	3.6
79.05505	9.6
80.76717	1.6
81.07068	20.4
83.04991	4.7
83.08600	1.9
91.05486	29.3
91.06042	2.9
92.05807	1.8
92.11732	1.6
93.07049	17.9
95.04977	15.5
95.08611	18.3
97.06519	1.9
103.05502	2.7
105.04536	2.0
105.07033	13.6
107.04954	4.1
107.08600	12.2
109.06530	23.4
109.10181	14.5
119.04938	30.6
119.08589	20.5
120.08127	17.5
121.10153	26.5
122.07278	10.1
123.04426	3.1
123.08076	12.7
123.11692	6.3
133.02905	3.0
135.08095	3.7
136.07578	2.4
137.06062	2.6
137.08000	25.2
137.09622	100.0
137.13258	2.9
138.09966	2.0
147.04417	58.9
147.08035	1.7
147.11693	10.7
148.02171	6.8
150.10400	5.3
165.05508	3.0
165.07368	5.9
165.09125	12.0
165.12766	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02392	0.4
53.03952	1.0
55.01864	1.9
55.05509	3.8
55.83643	0.4
57.03439	2.8
57.07067	3.0
57.59591	0.4
65.03938	1.3
67.05502	11.6
69.03416	2.1
69.07070	4.1
69.32278	1.0
69.32681	2.8
71.04994	0.8
71.08652	0.9
79.05496	7.3
81.03438	1.0
81.07057	18.0
83.04980	3.3
83.08611	2.7
91.05482	13.4
93.07043	13.6
94.04191	1.2
94.07820	0.4
95.04965	7.8
95.07990	0.8
95.08607	15.3
95.20635	0.5
97.06541	1.0
100.95522	0.4
103.05456	1.9
103.84203	0.4
105.07029	18.1
106.07310	0.6
107.04929	1.9
107.08596	11.5
108.05766	0.6
109.06516	23.4
109.10158	13.6
110.07339	0.5
114.49856	0.4
117.07036	1.7
119.01920	0.5
119.04942	9.7
119.05851	0.6
119.08578	19.8
120.08092	0.6
121.06538	2.0
121.10146	26.1
122.07280	8.3
122.10405	0.6
123.04429	1.5
123.08075	10.9
123.11701	6.3
124.05221	0.5
133.02876	0.9
133.06522	4.6
133.07515	0.8
135.08067	2.8
137.06023	6.9
137.09615	100.0
137.13231	1.8
138.09073	0.5
138.09979	2.6
145.10201	0.6
147.04411	16.5
147.08096	1.0
147.11679	6.5
150.10413	4.8
165.05460	1.0
165.09113	5.4
165.12752	40.1
166.08633	0.5
166.13075	1.1
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	Jasmone
Peak:m/z	Relative Intensity
53.03943	4.3
55.01851	0.6
55.05511	5.2
57.03428	1.8
57.07066	2.9
59.04977	1.2
60.31704	0.6
65.03931	1.1
65.41376	0.7
65.75175	0.6
67.05508	20.1
69.03433	20.2
69.07066	6.9
70.82714	1.4
71.04972	1.2
78.98467	0.6
79.05496	9.2
81.03419	17.9
81.07060	27.3
83.04998	4.5
83.08610	1.5
85.06511	0.9
91.05485	16.9
93.07049	8.4
95.04970	27.5
95.08611	21.8
95.09208	0.4
96.21566	0.7
97.06515	1.8
101.00848	1.1
103.05459	2.2
105.07037	18.7
107.04964	1.5
107.08604	12.6
109.06518	19.1
109.10159	8.1
110.07285	1.9
111.08074	0.7
117.07027	1.4
119.01913	2.1
119.04127	1.0
119.04951	19.0
119.08585	16.2
120.08101	2.6
120.08908	0.9
121.06512	1.3
121.10140	10.1
122.07290	3.1
123.04430	3.2
123.08069	17.9
123.10857	0.9
123.11711	12.7
133.02859	1.9
133.06497	1.0
133.07454	0.7
137.06024	4.7
137.07896	2.1
137.09625	9.3
137.13255	3.2
142.03510	2.2
142.96675	0.8
147.04419	36.3
147.08104	1.3
147.11691	13.0
148.04816	0.8
148.07526	0.9
165.01756	1.2
165.05501	2.7
165.07018	2.9
165.09120	15.0
165.12756	100.0
166.13123	2.4
170.63156	0.8
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03940	0.3
69.14025	1.8
69.14439	0.7
73.79198	0.2
79.05501	1.3
91.05478	1.2
93.07051	2.7
98.21523	0.5
103.05475	11.7
104.05825	0.2
107.04979	2.1
114.88542	0.2
117.19094	0.3
120.08114	100.0
121.08425	1.3
131.04935	2.4
149.05975	0.5
166.08647	0.9
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
51.02396	0.1
53.03939	0.2
59.36593	0.1
60.81275	0.1
61.27667	0.1
63.94758	0.1
67.05486	0.1
69.07069	0.1
71.05523	0.2
71.05848	0.2
77.03904	0.2
79.05496	1.8
91.05485	0.9
93.07044	2.9
95.04960	0.4
95.08583	0.2
102.31681	0.1
103.05469	11.8
103.24768	0.1
104.05791	0.2
105.04514	0.2
106.06531	0.1
107.04960	2.2
117.07889	0.1
118.06574	0.1
119.07329	0.2
120.08105	100.0
121.06517	0.3
121.08447	1.7
123.04424	0.4
124.05113	0.1
126.77483	0.1
129.00316	0.1
130.06526	0.3
131.04912	1.9
131.26059	0.1
133.96550	0.1
138.09952	0.1
142.96713	0.2
148.04784	0.4
148.07602	0.3
149.05966	0.6
151.03918	0.1
166.04994	0.4
166.08562	1.1
166.13138	0.3
167.07051	0.9
167.08357	0.2
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	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05510	5.6
56.05032	2.9
65.03947	0.6
67.05518	3.8
68.05047	3.0
68.05839	1.1
69.03433	34.4
69.07062	1.9
70.06596	21.4
70.09592	1.5
72.89480	0.6
77.83786	0.7
79.05492	13.9
80.05022	1.7
81.07056	49.5
82.07397	1.2
83.08619	1.2
83.93041	0.7
84.04517	2.0
84.08138	2.4
86.06068	39.6
92.05791	0.6
93.07047	1.0
94.06573	1.8
95.04959	1.0
96.05339	0.6
96.08132	24.2
97.06522	0.9
98.06058	100.0
98.09694	1.7
99.06389	1.1
106.06552	0.9
109.10205	0.7
110.09754	0.7
110.10496	1.5
112.07610	20.1
120.08103	4.3
120.08899	1.3
121.06467	0.9
123.04414	1.0
123.07629	1.3
124.07594	72.9
125.07912	0.7
138.09988	1.8
138.12770	1.0
142.96692	3.7
148.04767	1.8
148.11205	1.3
158.25308	0.7
165.07008	1.4
166.04987	1.4
166.09567	8.1
166.12265	19.7
167.07074	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	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02375	0.6
52.23930	0.4
53.03942	1.4
55.01863	0.4
55.05509	1.0
57.03438	0.4
57.85218	0.4
65.03926	1.0
66.04742	1.0
67.05495	2.2
69.03416	1.2
69.07055	1.3
69.40075	1.7
69.40510	1.4
71.05000	0.4
77.03922	0.7
78.04710	17.6
79.05069	0.7
79.05495	7.2
81.03432	1.0
81.07058	2.6
83.04973	1.0
83.08594	0.7
91.05482	1.4
93.03398	1.1
93.07059	3.1
94.04189	0.9
95.04965	3.1
95.08589	1.1
96.05730	1.3
97.06561	1.2
98.21505	0.8
105.03365	1.2
105.04516	0.9
105.07015	0.7
106.04176	8.2
107.04415	0.4
107.04974	4.4
107.08595	2.5
107.17979	0.5
109.02869	1.4
109.06509	1.0
109.10134	0.6
111.08081	1.3
121.02853	0.5
121.06500	1.0
121.10153	2.6
122.03660	1.6
123.04434	29.4
123.08025	0.6
123.11681	0.6
124.05229	8.0
125.09615	0.7
131.08539	0.5
134.03612	1.8
135.04427	1.0
137.05983	0.8
139.07526	0.9
149.02357	1.3
149.09607	0.7
149.13255	0.7
150.03119	0.6
151.03918	5.1
152.04688	6.3
167.07040	100.0
167.14250	1.0
168.04121	0.5
168.07384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01596	0.3
52.03142	0.5
53.00299	0.3
53.03942	1.4
55.01852	0.5
55.05503	0.8
65.03925	0.3
66.04710	1.3
67.05495	1.0
69.03394	0.4
69.07047	0.9
69.13019	2.6
69.13428	0.3
71.04984	0.3
77.03943	0.3
78.04712	18.6
79.05064	0.5
79.05488	3.3
79.51443	0.3
81.03406	0.9
81.04539	0.5
81.07055	1.4
82.04146	0.3
83.04964	1.0
83.08633	0.4
84.93042	0.4
84.93800	0.3
91.05469	0.7
92.02615	0.3
93.03394	0.8
93.07056	1.3
94.04197	0.8
95.04961	2.4
95.08567	0.3
96.05745	1.4
97.06518	0.5
98.21550	0.5
103.00632	0.4
105.03385	1.5
105.04498	0.4
105.07042	0.4
106.04174	7.0
107.04966	1.6
107.08586	0.8
109.02898	1.9
109.06499	0.5
110.03679	0.4
111.04417	0.4
111.08080	0.7
120.02073	0.6
121.01678	0.8
121.02843	0.5
121.06528	0.5
121.08472	0.3
121.10153	1.9
122.03641	1.2
122.07082	0.5
123.04430	32.3
124.05230	8.5
134.03650	1.8
135.04390	1.1
137.02335	0.8
137.05969	1.2
138.03156	0.4
139.02679	0.3
139.07567	0.5
143.96732	1.0
144.03291	0.7
149.02332	1.2
149.05972	0.7
149.09605	0.5
150.03117	0.5
151.03889	6.5
152.04684	5.6
167.07033	100.0
168.04137	0.6
168.07422	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02383	0.4
53.03936	1.1
53.64428	0.3
55.01854	0.7
55.05498	1.0
55.58413	0.3
56.96557	0.6
65.03934	0.5
66.04724	0.7
67.05490	1.2
67.55852	0.4
69.03401	0.4
69.07072	2.3
70.06594	4.9
70.44006	0.3
70.66040	0.6
73.02901	0.3
76.45703	0.3
78.04712	16.1
79.05055	0.4
79.05487	4.8
81.03419	0.9
81.07039	1.3
83.04958	0.9
85.02888	0.4
86.16853	0.4
91.05469	1.1
93.03408	0.8
93.07034	0.9
94.04169	1.1
94.06586	0.4
95.04961	2.4
95.08554	0.4
96.05739	1.3
97.06541	0.5
98.97568	0.5
103.00629	0.5
104.05839	0.5
105.03387	1.4
105.04503	0.4
106.04180	6.6
107.04946	2.3
107.08580	1.1
109.02883	1.6
109.06512	0.9
111.08092	0.8
112.07585	0.6
115.00708	0.3
120.02082	0.7
120.08123	0.5
121.01653	0.9
121.02848	0.9
121.06526	1.3
121.08453	3.1
121.10136	0.7
122.03632	1.8
122.06017	1.1
123.04431	29.3
124.05226	7.5
125.06039	0.6
128.02281	0.7
134.03667	1.7
135.04395	1.5
137.02242	0.4
137.05995	1.1
138.03099	0.4
139.07520	0.7
140.07051	0.7
144.03220	0.4
149.02324	1.4
149.06020	0.7
150.05533	0.6
150.09172	1.6
151.03909	5.1
152.04689	5.7
167.07039	100.0
168.04170	0.5
168.07451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02374	0.6
53.03944	4.4
54.02269	0.3
55.01866	1.5
55.05516	2.2
55.80678	0.3
59.05000	0.3
65.03946	0.6
67.05517	1.6
68.99781	0.6
69.03425	1.3
69.07061	0.5
70.06577	1.3
70.62819	1.1
75.46957	0.3
75.71161	0.3
77.03931	1.3
78.04718	2.5
79.05497	15.1
81.07055	4.4
83.04993	2.7
83.08613	0.7
91.05482	13.6
93.07046	20.3
94.07347	0.7
95.04964	3.8
95.08600	0.8
97.02870	0.4
97.06522	1.1
103.00645	0.3
103.05463	1.3
105.03382	0.4
105.04511	1.6
105.07046	0.7
106.04172	1.1
107.04945	2.2
107.08584	1.5
109.06508	1.0
111.04456	0.6
111.08046	0.5
112.08890	0.4
121.02908	2.6
121.06512	13.8
121.08443	1.4
121.10158	1.4
123.04426	4.7
123.08047	1.0
123.11732	0.4
124.05201	0.8
124.07637	0.4
125.06006	0.7
125.09608	0.7
131.08560	0.4
135.04578	0.4
139.03831	0.5
139.07538	1.0
139.11197	0.4
149.02289	0.4
149.04799	0.6
149.05991	12.3
149.09555	0.7
151.03928	0.7
152.04669	0.9
167.07043	100.0
167.14284	0.8
168.07455	1.8
168.13904	0.7
168.67079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02364	0.6
53.03947	2.2
55.01860	1.6
55.05512	18.4
57.03429	1.0
57.07054	1.2
59.05009	2.8
59.61523	0.4
61.54127	0.4
65.03912	0.8
65.32061	0.4
66.04710	0.8
67.05508	4.9
69.03429	5.5
69.07073	4.4
69.79212	1.0
69.79592	0.9
71.04980	1.3
77.03922	0.7
78.04710	18.1
79.05496	9.8
81.03411	1.2
81.07057	6.9
83.04981	19.5
83.08624	7.9
85.02873	0.4
85.06554	2.2
86.57497	0.4
91.05483	4.3
93.03400	1.0
93.07046	8.6
94.04172	1.2
95.04967	3.3
95.08617	4.4
96.05732	1.3
97.02887	0.5
97.06530	2.7
97.10168	2.7
102.93607	0.4
105.03381	0.9
105.04520	0.7
105.07043	2.4
106.04174	8.6
107.04951	5.5
107.08591	9.0
109.02863	1.2
109.06509	1.8
109.09457	0.6
109.10159	5.4
111.04439	0.8
111.08080	6.5
111.38380	0.4
112.08853	1.9
113.09620	0.6
120.02095	0.7
121.02852	0.6
121.06482	1.5
121.08443	0.8
121.09333	0.7
121.10148	8.3
122.03641	1.8
123.04430	28.8
123.08052	1.2
123.11717	2.6
124.05231	8.2
124.38760	0.4
125.06006	3.5
125.09624	3.3
131.08559	0.7
134.03650	1.6
135.04390	1.5
137.05963	1.4
139.07597	0.5
139.11179	1.1
149.02385	0.7
149.06009	0.7
149.09630	2.7
149.13318	2.1
151.03915	6.5
152.04689	6.1
167.07040	100.0
167.10670	4.7
167.14301	6.6
168.04129	0.7
168.07387	1.5
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
50.01579	0.2
51.02373	0.3
52.03171	0.3
53.03949	1.1
55.01871	0.2
55.05507	0.7
57.03439	0.3
65.03943	0.7
66.04713	1.0
66.30779	0.2
67.05495	1.0
67.80643	0.3
69.03419	0.5
69.07082	1.1
69.39841	0.6
69.40251	1.4
71.04999	0.4
77.03915	0.5
78.04716	17.5
79.05070	0.2
79.05492	4.1
81.03403	0.8
81.07063	1.6
83.04995	0.6
83.08595	0.3
84.27681	0.2
91.05479	1.1
93.03403	0.7
93.07060	1.8
94.04184	0.8
95.04981	2.4
95.08609	1.5
96.05746	1.0
97.06515	0.2
98.21414	0.5
105.03385	0.9
105.04522	0.6
105.07027	0.3
106.04176	8.5
107.04964	2.2
107.08601	1.4
108.02113	0.3
108.26621	0.2
109.02848	1.3
109.06527	0.7
109.10126	0.3
109.50756	0.2
110.03633	0.3
111.04397	0.3
111.08073	0.5
120.02092	0.6
121.02911	0.4
121.06505	0.3
121.10142	1.1
122.03666	1.9
123.04434	29.9
124.05231	7.4
125.09660	0.2
134.03642	2.0
135.04413	1.2
137.02370	0.4
137.06020	1.2
138.03130	0.5
149.02362	0.5
149.05945	0.2
149.09630	0.3
149.13274	0.4
150.03107	0.6
151.03906	5.4
152.04688	6.4
153.05040	0.3
167.07043	100.0
168.04184	0.4
168.07368	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03943	4.8
55.01863	4.5
55.05512	33.8
57.03423	2.9
57.07070	3.9
59.05005	5.2
62.24465	1.0
65.03935	2.0
67.05508	13.7
69.03428	8.7
69.07070	43.3
71.01388	1.3
71.05000	2.4
71.48363	1.1
71.48709	1.4
73.63603	1.0
77.03954	1.0
78.04703	8.5
79.05495	34.7
81.07058	27.0
83.04982	28.4
83.08625	14.2
85.06546	3.3
91.03401	1.1
91.05482	15.8
93.07047	88.3
94.07401	1.3
95.04468	1.0
95.04992	7.8
95.08610	18.7
97.06546	13.8
97.10175	4.1
103.05462	3.0
105.04527	1.4
105.07040	23.4
106.04182	4.3
106.07843	1.6
107.04958	3.8
107.08595	26.2
109.02853	1.6
109.06525	6.1
109.10146	9.9
111.04436	3.5
111.08076	9.2
111.11755	5.8
112.08859	2.4
119.08591	4.0
121.02857	1.6
121.06506	7.7
121.08440	4.2
121.10148	100.0
122.03648	1.8
122.06035	1.6
123.04441	15.8
123.08081	8.3
123.11736	5.7
124.05192	3.2
125.06000	5.6
125.09635	7.8
131.08551	3.4
133.07613	3.0
135.04504	1.3
139.07587	1.8
139.11198	5.7
140.07062	2.9
149.02296	1.7
149.09622	17.5
149.13281	3.8
151.03889	2.6
152.04688	3.3
167.03317	1.7
167.07057	53.2
167.10684	31.2
167.12099	1.7
167.14336	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	167.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01863	4.5
55.05512	33.8
57.03423	2.9
57.07070	3.9
59.05005	5.2
62.24465	1.0
65.03935	2.0
67.05508	13.7
69.03428	8.7
69.07070	43.3
71.01388	1.3
71.05000	2.4
71.48363	1.1
71.48709	1.4
73.63603	1.0
77.03954	1.0
78.04703	8.5
79.05495	34.7
81.07058	27.0
83.04982	28.4
83.08625	14.2
85.06546	3.3
91.03401	1.1
91.05482	15.8
93.07047	88.3
94.07401	1.3
95.04468	1.0
95.04992	7.8
95.08610	18.7
97.06546	13.8
97.10175	4.1
103.05462	3.0
105.04527	1.4
105.07040	23.4
106.04182	4.3
106.07843	1.6
107.04958	3.8
107.08595	26.2
109.02853	1.6
109.06525	6.1
109.10146	9.9
111.04436	3.5
111.08076	9.2
111.11755	5.8
112.08859	2.4
119.08591	4.0
121.02857	1.6
121.06506	7.7
121.08440	4.2
121.10148	100.0
122.03648	1.8
122.06035	1.6
123.04441	15.8
123.08081	8.3
123.11736	5.7
124.05192	3.2
125.06000	5.6
125.09635	7.8
131.08551	3.4
133.07613	3.0
135.04504	1.3
139.07587	1.8
139.11198	5.7
140.07062	2.9
149.02296	1.7
149.09622	17.5
149.13281	3.8
151.03889	2.6
152.04688	3.3
167.03317	1.7
167.07057	53.2
167.10684	31.2
167.12099	1.7
167.14336	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01860	4.7
55.05513	83.3
57.03421	5.8
57.07084	12.0
59.05006	13.1
65.03943	2.3
67.05185	1.7
67.05509	25.7
69.03101	1.3
69.03439	18.7
69.07072	40.9
70.06582	2.1
71.04987	6.1
71.23453	2.1
71.23772	1.2
78.04714	8.2
79.05495	36.2
81.03418	1.6
81.07059	63.0
83.04987	81.6
83.08618	41.3
85.06541	11.7
91.05482	18.5
91.99651	1.3
93.07047	63.8
94.07365	2.1
95.04948	7.3
95.08601	20.9
97.06535	15.5
97.10172	8.8
99.08088	3.2
103.05448	2.9
105.07026	22.5
106.04145	2.6
106.07791	1.8
107.04945	4.6
107.08600	52.3
108.38141	1.4
109.02881	1.3
109.06529	6.7
109.10166	27.2
109.10877	1.2
111.04482	3.2
111.08085	30.7
111.11709	3.0
112.08856	5.5
113.09710	1.8
119.08564	5.2
121.02884	2.1
121.06506	5.7
121.08408	5.0
121.10149	100.0
122.10485	1.9
123.04427	14.6
123.08067	6.1
123.11711	24.1
124.05196	4.9
125.06020	2.2
125.08784	1.9
125.09632	19.7
131.08533	2.0
133.07623	2.5
139.07549	2.1
139.11188	19.2
140.07024	2.2
143.55672	1.3
149.02357	2.4
149.09615	13.6
149.13264	10.6
151.03920	2.6
152.04710	2.9
167.03401	2.9
167.07039	50.4
167.10675	20.8
167.14325	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03945	2.2
55.01876	1.8
55.05512	95.4
57.03444	2.2
57.07066	3.1
59.04999	12.1
60.27570	1.4
67.05241	1.3
67.05511	14.1
69.03431	21.3
69.07058	9.3
70.06592	9.0
71.04980	2.1
71.32838	2.8
74.44805	1.5
79.05486	4.2
81.07049	12.0
83.04980	100.0
83.08158	2.4
83.08620	34.8
85.06543	9.8
91.05467	2.6
92.10025	1.3
93.07030	8.5
95.04966	2.9
95.08607	7.2
97.06512	4.8
97.10188	11.1
99.08106	2.1
101.19378	1.4
105.07030	1.7
107.08586	10.9
109.10144	22.0
111.08080	24.7
112.08861	6.3
113.09650	4.1
121.10147	10.1
123.11703	7.4
125.09637	15.2
149.13260	4.6
167.07047	5.8
167.10698	1.4
167.12875	2.2
167.14307	40.2
168.10100	1.5
172.60822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03942	7.5
55.01870	4.1
55.05511	96.3
57.03421	4.4
57.07056	6.7
59.04996	11.1
59.22263	2.0
65.03954	2.2
67.05514	20.4
68.41971	2.1
69.03427	24.0
69.07071	24.5
70.06580	3.6
71.04971	3.4
71.08641	3.0
71.18484	3.2
73.06553	2.7
78.04724	15.3
79.05493	22.1
81.07060	25.7
83.04979	96.4
83.08624	44.5
85.06520	9.0
91.05472	8.5
93.07045	34.7
95.04989	5.6
95.08605	17.8
97.06506	9.0
97.10166	8.7
99.08098	2.9
105.07034	13.8
106.04175	7.9
107.04964	2.9
107.08588	33.3
109.06510	7.0
109.10146	23.2
111.04457	3.0
111.08081	29.8
111.11671	2.2
112.08871	8.6
113.09622	3.9
113.90629	2.2
119.08539	2.6
121.02856	2.4
121.06488	5.1
121.08431	5.3
121.10150	43.4
123.04451	24.3
123.08081	5.0
123.11700	17.7
124.05219	4.9
125.09646	17.9
129.26204	2.0
131.08540	2.2
135.04385	4.0
139.07494	2.9
139.11212	10.6
149.02362	2.1
149.09625	9.2
149.13297	7.3
151.03909	5.8
151.74461	2.3
152.04631	4.4
167.07043	100.0
167.10661	12.6
167.14330	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	5.0
53.43447	1.2
53.85027	1.3
55.01871	3.5
55.05516	36.2
57.03422	2.2
57.07064	3.4
59.04995	4.6
65.03937	1.4
65.13674	1.2
66.04713	2.4
67.05510	16.8
69.03442	9.4
69.07076	19.2
70.46423	2.4
71.04996	10.4
73.06550	4.2
73.63551	1.3
78.04718	13.6
79.05080	1.4
79.05499	18.3
80.05802	1.3
81.03376	1.2
81.07057	20.4
83.04988	37.6
83.08619	11.7
85.06547	2.9
91.05473	8.9
93.07053	25.6
94.36997	1.1
95.04967	5.9
95.07995	1.4
95.08616	30.0
96.08920	1.2
96.82987	1.1
97.06533	5.5
97.10168	5.1
105.07018	4.8
106.04211	6.0
107.04946	5.4
107.08605	28.7
109.02853	2.0
109.06512	4.2
109.10175	15.9
111.04475	1.7
111.08089	11.4
112.08878	2.6
119.06080	1.3
121.06530	3.6
121.08384	1.6
121.10149	21.1
122.03606	1.4
123.03589	1.9
123.04442	28.8
123.08049	3.1
123.11696	6.1
124.05219	7.2
125.05989	2.3
125.09628	9.4
131.08557	1.9
134.03607	1.4
135.04335	1.6
139.07526	3.3
139.11205	2.1
140.07088	1.6
149.02379	2.8
149.09615	4.8
149.13261	7.5
151.03886	6.9
152.04686	5.8
152.86031	1.3
156.77945	1.4
162.45676	1.2
167.03383	3.5
167.07048	100.0
167.10660	6.3
167.13283	1.4
167.14354	15.9
168.07491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
55.05515	2.7
56.05848	0.8
57.03435	0.9
59.13023	0.2
59.31330	0.3
67.05511	4.6
68.05034	0.3
69.03430	0.8
69.07069	1.7
69.36860	0.3
70.06593	100.0
70.20768	0.9
71.05000	0.4
71.06927	1.1
79.05497	2.5
80.70423	0.3
81.07058	12.2
81.07539	0.6
82.06604	0.3
82.07410	0.3
83.04983	1.5
83.08628	0.3
84.05328	0.8
84.08965	0.3
91.05483	10.2
93.07054	1.5
94.06557	0.6
94.07394	0.4
95.04966	1.1
95.08599	1.2
97.06522	0.4
98.20850	0.4
105.07048	1.4
106.71476	0.3
107.08594	1.3
109.02887	0.4
109.06522	2.4
109.10139	0.4
110.10493	0.4
111.08072	0.7
122.06007	0.6
122.06812	0.4
122.09666	0.9
123.08054	0.6
123.11712	1.8
124.04720	0.3
125.05994	0.7
133.10156	0.8
140.07092	0.6
141.05444	0.9
150.05476	1.1
150.12715	1.5
151.11201	2.9
168.07564	1.7
168.13829	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03948	0.7
55.01868	1.9
55.05505	1.8
56.05868	0.3
56.96568	1.3
57.03446	1.3
65.03944	1.0
67.05505	2.5
68.05835	0.4
68.99782	3.8
69.03423	0.9
69.07068	7.5
70.06593	3.8
70.38684	1.1
71.04987	2.0
71.06919	1.6
73.02912	0.3
73.74856	0.3
79.05482	1.8
81.03417	1.8
81.07056	4.3
82.07397	0.9
83.04985	1.2
85.02907	1.2
85.06545	0.6
85.94594	0.4
86.15775	0.4
87.51160	0.3
91.05493	1.4
92.05827	1.5
93.03414	0.6
93.07064	1.9
95.04971	5.9
95.08612	1.1
95.77641	0.3
97.02887	1.1
97.06538	1.4
98.03675	2.6
98.97597	1.1
99.04466	1.4
105.07012	1.2
107.05000	0.3
107.08600	0.9
109.02882	3.8
109.06523	2.8
109.10151	1.5
110.06061	0.4
110.06858	0.4
110.97568	0.7
111.00804	26.3
111.04438	1.1
111.08086	0.9
115.05465	1.1
123.04398	0.7
123.08096	0.8
123.11693	1.1
124.07587	0.4
124.12085	0.4
125.02372	0.7
125.05991	5.1
125.09688	0.3
126.03137	30.3
127.07545	1.1
128.98656	0.3
133.10152	0.6
134.06033	0.7
141.05466	100.0
142.05817	1.2
146.29965	0.3
151.03870	0.7
151.07594	0.6
151.08672	1.5
151.11194	1.0
152.07042	0.5
163.97766	0.5
169.04965	42.9
169.07584	5.6
169.08633	0.8
169.09920	0.6
169.12222	0.8
169.14206	1.4
170.05119	0.5
170.06248	0.6
170.08226	0.5
187.02908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	dl-Norepinephrine
Peak:m/z	Relative Intensity
55.01868	2.4
55.05507	1.4
57.03437	0.6
65.03922	0.8
66.36323	0.6
67.05501	1.5
68.99775	0.8
69.07070	1.2
69.73878	2.9
71.04985	0.6
79.05489	7.2
80.00211	0.5
81.05801	2.1
81.07057	9.3
82.06583	2.9
82.07375	1.0
83.04984	1.2
84.04523	0.8
86.09701	2.0
91.05560	0.6
92.05003	1.0
93.05796	2.0
93.07051	1.1
95.04955	0.6
95.08649	0.7
96.04523	1.5
96.08134	23.1
97.05242	0.6
98.20821	0.8
102.35569	0.7
105.03424	1.0
106.06561	5.6
107.04951	2.4
107.08591	1.9
109.06534	1.8
109.10125	0.5
110.06047	59.2
110.10435	0.6
110.76135	0.6
111.04441	1.3
115.05509	0.6
124.07597	100.0
125.06000	0.6
125.07041	0.6
125.07975	1.6
128.06233	2.0
128.95055	0.6
134.06056	3.0
135.11676	0.9
141.07027	1.3
142.07584	0.7
143.08594	2.2
152.07074	51.1
153.05542	0.8
153.07178	1.1
156.09361	5.8
170.08144	30.9
170.09587	1.9
171.08095	1.1
171.11676	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	171.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75968	0.3
53.03944	0.5
54.03475	0.4
55.01876	9.6
55.05518	1.7
56.05028	0.8
56.96301	0.6
56.96572	10.6
57.03439	1.4
57.04574	0.4
58.99881	0.5
59.05005	0.8
60.33923	0.3
61.02928	0.7
65.20934	0.3
67.05515	0.4
68.05056	0.7
68.99790	0.9
69.03439	1.8
69.07070	0.5
69.52317	1.0
69.52741	1.2
70.06599	1.4
70.99857	0.8
71.05008	0.5
71.95277	2.1
72.04521	2.0
72.08158	10.6
72.96056	0.4
73.02927	1.5
77.30711	0.3
80.05027	0.4
81.03419	1.3
81.04537	1.1
81.07074	0.9
82.99850	0.8
83.01350	0.7
83.04980	0.8
84.04515	1.6
84.08138	1.0
84.96051	0.9
85.02914	2.1
85.07673	5.9
86.09717	3.3
86.99326	0.5
87.04474	4.2
89.07150	1.6
91.00513	0.4
93.01911	0.6
95.06100	7.3
96.06879	69.3
97.02893	3.4
97.06602	0.7
97.07679	7.7
98.96948	0.6
98.97594	6.7
99.04472	1.1
100.02518	0.4
101.00888	5.6
103.00659	1.3
103.02454	1.2
107.04995	0.6
108.52426	0.4
109.02901	1.0
109.06503	0.6
110.01289	0.7
110.97575	8.0
111.00806	2.2
111.04436	1.6
113.00874	0.8
115.02412	0.9
115.03910	2.1
116.19398	0.3
116.98634	2.4
119.01923	8.6
120.01974	0.5
121.01686	2.2
125.07123	62.8
125.74683	0.3
126.05545	0.5
126.07439	0.5
126.09143	0.6
127.02448	0.4
127.03992	0.7
128.02345	1.0
128.98615	8.4
129.00343	0.6
129.04008	0.5
131.01904	2.2
132.03435	1.3
133.01697	0.4
133.03464	1.2
134.03561	0.6
134.99643	1.3
137.02928	1.4
139.00270	23.6
139.03874	1.6
139.53209	0.5
143.00211	0.4
143.01924	1.3
143.11839	0.6
145.03447	1.8
146.03169	0.4
146.99677	3.7
147.01437	1.3
147.03239	0.9
147.05006	0.6
148.01520	1.1
148.05159	0.6
149.01196	1.0
153.06621	1.5
153.71724	0.4
155.01907	0.8
157.01346	10.2
157.03357	2.4
160.04744	1.4
161.02965	0.8
163.04486	1.0
170.99710	0.8
171.02960	2.5
171.07657	100.0
171.11255	11.9
171.14940	1.5
172.07936	1.4
173.02966	0.6
174.99121	0.5
175.04477	0.6
187.04581	0.4
189.00653	1.0
189.02347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(3S,4S,6R)-p-Menth-1-ene-3,6-diol
Peak:m/z	Relative Intensity
50.01474	1.1
52.29382	1.1
53.00291	1.3
53.03953	16.4
55.01866	3.5
55.05279	2.0
55.05516	26.1
56.58244	1.2
57.03423	4.7
57.07097	6.9
58.62287	1.1
59.04996	2.7
61.02925	2.0
67.05508	11.8
69.03425	1.3
69.07074	47.3
69.33329	5.6
69.33761	4.3
71.04618	1.5
71.05000	29.8
71.08635	51.1
72.04523	11.2
73.06532	1.7
79.05502	8.6
81.07056	16.6
83.04990	23.4
83.08619	9.1
85.06537	3.1
87.11952	1.3
89.07142	5.5
91.05469	2.2
93.06490	2.1
93.07047	24.3
95.08604	10.4
97.05924	2.3
97.06536	39.1
98.20770	1.8
99.08103	16.6
99.10876	1.3
101.05402	1.5
101.06024	19.3
107.08603	12.4
109.10171	9.3
111.04414	1.9
111.08080	10.4
111.11700	2.8
115.05434	2.8
123.11668	1.4
125.09638	1.3
128.06201	6.5
129.06987	1.9
135.11740	5.9
139.03946	2.1
141.06978	5.3
142.07788	2.0
143.04956	1.5
143.08572	10.4
153.12755	100.0
154.08650	2.4
154.13132	1.2
156.09346	17.0
171.04340	1.3
171.08076	7.0
171.11687	12.6
171.13797	51.1
171.14856	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	172.0969
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
50.02616	0.6
51.90646	0.6
53.03939	1.6
53.82965	0.6
55.05513	28.7
55.93510	1.0
56.05034	1.7
56.96551	1.9
57.03429	1.6
57.07059	0.8
58.06591	1.2
59.04989	2.3
61.01142	0.7
67.05498	2.6
68.96334	1.6
69.03422	2.6
69.07058	3.7
69.84102	3.5
70.06599	7.2
70.94244	1.6
71.04975	3.6
71.08639	0.9
71.93014	0.9
72.04488	1.8
72.08150	2.5
72.93790	26.7
72.94202	1.5
79.05496	7.7
80.05032	0.8
81.07058	34.1
82.06572	1.1
83.04979	10.1
83.08624	14.3
84.04503	1.8
84.08148	5.9
85.02928	1.1
85.06536	3.5
86.09702	1.8
87.04473	1.8
88.95280	1.0
89.07196	0.8
89.94054	1.7
90.94830	21.3
91.05486	5.3
93.05791	1.7
93.07037	1.8
95.04982	0.8
96.04500	1.2
97.02869	1.3
97.05273	4.8
97.06517	1.0
98.06052	6.2
98.09705	8.3
98.97591	1.4
99.08090	1.2
101.06023	7.6
104.03461	0.8
105.07030	1.9
107.95074	0.9
108.08122	9.6
108.95850	3.8
109.06517	26.6
109.98940	1.2
110.06044	1.3
111.04446	9.7
111.06834	0.9
112.07594	2.4
113.02399	0.7
113.05972	1.2
113.96367	3.4
115.05439	0.8
116.04990	0.8
116.07088	1.6
116.98611	0.8
117.07024	1.7
119.08576	3.1
124.07600	0.7
124.50693	0.6
126.05549	3.4
126.09158	100.0
126.12786	2.4
127.07569	14.4
127.09489	1.4
129.05484	2.2
129.06998	2.0
130.96303	4.4
131.08578	12.1
131.97441	1.0
136.07594	2.1
137.05952	1.6
142.07414	0.9
143.08556	3.9
144.09167	1.9
145.06509	2.9
145.07536	0.7
145.10126	5.2
148.97409	5.4
149.96120	8.0
153.98010	0.8
154.08621	21.0
155.07042	12.9
155.11758	0.8
157.09673	4.2
158.10904	6.9
162.05583	0.9
162.21342	0.7
167.97182	6.6
172.06206	1.1
172.07602	3.0
172.09711	10.7
172.12082	3.7
172.13309	1.1
172.15501	0.8
172.16962	1.3
173.05890	1.8
173.08157	8.7
173.13261	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
52.28129	0.5
53.03946	0.7
55.01870	0.8
55.05508	7.8
57.07062	0.6
59.04985	1.6
65.42867	0.5
67.05498	2.2
69.71986	2.5
71.06126	0.5
72.93789	5.7
76.02229	0.7
77.03905	0.7
79.05497	1.9
81.07047	1.4
83.04985	9.1
87.04468	1.2
89.02405	0.7
89.03952	0.5
90.94839	5.1
91.05488	10.3
95.04984	0.7
101.06019	4.8
103.03301	1.3
103.05455	2.8
105.07035	20.1
107.05019	0.6
111.04437	8.5
113.05988	0.7
113.96420	0.8
115.05464	14.4
116.06211	2.2
117.07021	20.1
119.08601	5.5
127.05448	1.2
127.07600	1.0
128.06233	4.0
129.05464	1.8
129.07002	10.5
129.56894	0.5
130.04198	0.8
130.07793	11.7
131.04915	1.5
131.08574	26.9
133.10130	1.7
141.06935	0.9
143.08575	13.6
144.05695	4.1
144.09422	3.7
145.06500	15.7
145.10132	55.7
146.10411	1.1
148.63249	0.5
149.96109	1.5
153.06999	5.1
154.07851	1.2
155.05962	4.0
155.07079	5.2
155.08556	26.3
156.09328	1.0
157.06537	3.5
157.10153	1.0
158.07283	62.0
158.10890	12.3
159.07632	1.3
164.86205	0.6
167.97144	1.0
171.11684	0.9
173.06128	5.9
173.08232	9.1
173.09630	100.0
173.13254	37.3
174.09929	3.2
183.09158	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
50.72793	0.5
53.03932	1.1
53.30313	0.6
55.01881	0.6
55.05512	13.7
57.07072	0.5
59.04981	1.7
59.23771	0.5
60.71518	0.5
63.66940	0.5
64.35228	0.6
65.45039	0.5
67.05492	1.7
69.03410	1.4
72.93786	8.5
76.02223	1.3
79.05482	1.9
81.03435	0.8
81.07046	2.3
83.04985	11.8
87.04463	0.9
90.90399	1.2
90.94819	7.4
91.05482	10.3
93.07048	0.9
95.05003	1.0
98.20731	1.8
101.06017	8.3
103.03313	1.5
103.05437	2.3
105.03427	0.9
105.04520	0.6
105.07027	18.0
107.04944	1.1
108.95866	0.9
111.03712	1.1
111.04441	13.7
113.06023	1.0
113.96407	1.4
114.05501	0.9
115.05449	7.7
116.06200	2.0
117.07018	15.3
119.08577	5.8
127.05437	1.1
127.07564	1.6
128.06227	3.4
129.05539	2.9
129.07005	11.9
130.07785	11.6
131.04953	2.0
131.08566	30.6
132.05643	0.8
132.08957	0.7
133.10159	1.2
141.06992	0.8
142.07771	0.7
143.04924	0.6
143.08563	15.0
144.05693	6.4
144.09367	3.0
145.06482	16.2
145.10120	58.7
146.10468	0.8
149.96094	3.3
153.07002	4.3
154.07790	1.1
155.03459	0.6
155.04860	1.1
155.05952	4.1
155.07051	7.6
155.08551	19.9
156.09250	0.7
157.06477	2.1
157.10165	1.0
158.07275	56.5
158.10902	18.1
159.07639	2.0
167.97206	1.4
171.11682	1.5
173.06059	11.5
173.08221	13.1
173.09627	100.0
173.13246	45.8
174.09935	2.3
174.13654	1.0
183.09206	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03959	0.4
53.42634	0.3
55.05523	2.2
57.07067	1.2
67.05515	3.0
69.07079	0.6
70.80368	1.1
79.05489	3.9
81.07066	4.1
82.59540	0.4
83.04991	1.3
91.05485	17.8
93.07045	3.0
95.08598	2.0
100.46633	0.4
101.06016	1.0
103.03308	0.5
103.05447	0.6
105.07038	10.0
107.08588	1.1
111.04456	1.8
111.97501	0.4
113.06018	0.4
115.05474	1.7
116.06239	2.3
117.07026	15.9
119.08591	4.1
128.06223	0.7
129.07016	4.9
130.07794	2.6
131.08572	100.0
132.08054	0.4
132.08958	1.7
143.08574	2.3
144.09354	2.7
145.10129	19.4
155.07042	0.8
158.10962	2.1
171.11723	1.3
173.08292	1.6
173.13271	70.9
174.13629	1.7
184.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03956	0.7
55.05517	3.2
57.03434	0.5
57.07079	1.8
64.86624	0.4
67.05511	3.3
69.07044	0.6
69.83417	1.6
69.83822	1.2
70.30793	0.5
79.05497	4.8
81.07052	4.2
83.04982	2.6
88.94157	0.4
91.05485	18.9
93.07037	3.3
95.08606	2.0
98.20837	0.9
101.06036	1.4
103.03278	0.9
103.05485	0.5
104.06281	0.6
105.07037	10.5
107.08578	1.1
111.04454	4.0
114.80365	0.5
115.05474	2.0
116.06232	2.0
117.07027	16.4
119.08594	4.3
129.05521	0.7
129.07011	7.2
130.07759	1.8
131.08574	100.0
132.08894	1.5
143.08557	2.8
144.09373	2.4
145.06470	0.8
145.10133	19.5
155.07040	1.8
158.10904	4.5
159.78580	0.6
171.11722	1.5
173.08319	3.6
173.13275	73.0
174.13670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.97234	0.6
52.28975	0.5
55.05522	3.3
59.05008	0.9
64.00892	0.5
67.05494	2.3
69.12609	0.7
69.69724	3.4
72.93784	1.9
79.05522	1.5
80.50117	0.6
81.07044	1.5
83.05005	3.2
87.05582	0.7
90.94837	1.4
91.05482	8.4
93.07050	1.0
101.06027	2.9
103.05450	0.6
105.07041	7.2
111.04439	3.3
113.06037	0.6
115.05434	2.7
116.06219	1.5
117.07037	5.5
119.08585	13.4
119.35099	0.7
126.77522	0.6
127.07523	0.7
128.06210	1.7
129.07002	7.0
130.07813	1.8
131.08571	53.1
132.08923	0.6
133.10098	2.7
142.07819	1.0
143.08563	21.8
144.05743	0.8
144.09358	6.9
145.06468	2.0
145.10126	24.6
149.96190	1.0
155.07040	2.5
156.09381	1.3
157.10095	1.4
158.07350	1.2
158.10919	38.5
159.11169	0.7
171.11702	1.9
173.05940	1.9
173.08339	3.5
173.09680	2.2
173.13264	100.0
174.13628	1.9
192.32718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51710	0.5
54.96791	0.5
55.05518	7.0
57.07073	2.2
59.05000	1.1
67.05503	2.8
71.06116	0.6
71.49202	0.8
72.93781	1.6
76.02238	1.4
77.03977	0.6
79.05502	4.4
81.07066	4.1
83.04984	5.9
87.04449	0.5
90.90388	0.8
90.94830	1.2
91.05482	15.0
93.07053	4.0
95.04912	0.5
95.08606	1.7
98.98466	9.3
101.06006	4.8
101.20213	0.5
103.03287	1.4
103.05431	0.8
104.04992	0.8
105.07035	11.0
107.08570	0.9
108.41709	0.5
111.04450	6.7
115.05463	2.4
116.06252	2.3
117.07025	16.9
119.08595	5.1
127.07601	0.7
128.06207	1.0
129.05496	1.8
129.07010	6.5
130.07805	3.2
131.08569	100.0
132.04503	0.6
132.08902	0.8
133.31412	0.5
143.08575	3.1
144.09288	2.7
145.10130	21.6
149.94038	0.9
149.96121	1.1
155.07037	4.7
158.10925	3.8
171.11678	1.1
173.05949	0.7
173.08310	7.2
173.13266	76.5
174.12561	0.7
174.13715	0.8
190.45175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.11717	0.8
50.77261	0.8
53.03947	1.1
55.01868	2.2
55.05513	6.2
61.52407	0.8
65.03913	1.1
66.38370	0.8
67.05492	2.6
69.03419	2.4
69.07076	15.0
69.30190	4.4
69.30606	2.5
70.06586	2.2
78.04697	3.2
79.05493	4.1
81.07057	7.5
83.08625	2.9
91.05486	44.7
92.05786	1.2
93.07045	6.2
95.08620	6.1
96.55584	0.9
98.98470	34.0
100.55156	0.8
102.59531	0.9
103.05451	6.2
103.12128	0.8
104.06254	21.4
105.03397	1.4
105.07041	29.9
107.04959	6.6
107.08605	5.3
115.05460	37.3
116.06283	1.5
116.07079	0.9
117.07034	19.2
119.04933	2.2
119.08589	100.0
121.10143	1.7
128.06235	10.7
129.07011	13.1
131.04953	6.7
131.08614	6.4
132.05717	43.0
132.06717	2.1
133.06462	2.6
133.10132	59.7
142.07799	1.2
143.04926	6.4
145.06465	5.3
145.10120	5.7
146.07269	1.2
146.10890	1.8
147.04465	1.6
147.08057	35.3
147.11684	11.2
155.06035	2.5
157.06506	2.8
157.10089	2.6
159.11707	1.0
160.05205	29.3
160.08807	1.9
160.12480	2.4
173.13223	1.3
175.07545	72.5
175.11212	11.0
175.14835	66.1
176.07874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03940	1.8
55.01861	2.1
55.05518	6.7
56.75564	0.7
57.03439	18.7
65.03933	2.2
67.05188	0.9
67.05510	12.3
69.03426	2.6
69.07072	10.2
70.06596	4.3
70.09386	1.0
70.09733	3.2
79.05498	7.4
81.03455	0.9
81.07060	7.0
83.08607	2.2
87.02367	0.8
91.04903	1.4
91.05482	28.4
92.90073	0.7
93.07047	6.1
95.04976	9.8
95.08604	5.7
97.02867	0.8
98.20831	1.0
98.98471	55.8
103.05451	2.2
104.06196	1.2
105.07034	42.5
106.07396	0.9
107.04961	9.2
107.08587	5.1
111.04391	1.0
115.05454	4.1
116.06277	1.6
117.07006	9.2
119.04961	1.8
119.08586	100.0
120.08933	1.6
121.02857	0.8
121.06512	5.2
121.10141	1.8
128.06250	3.7
129.07002	9.7
131.04938	4.9
131.08554	7.8
132.05696	5.7
132.09329	1.1
133.06502	27.6
133.10130	49.7
134.10458	1.0
135.08047	2.3
142.07780	10.5
145.06496	10.7
145.10130	6.4
146.07271	34.4
146.10934	1.3
147.04428	2.4
147.08052	74.4
147.11688	20.1
148.08459	1.5
157.06485	1.6
157.07658	2.1
157.10126	8.5
160.05197	4.6
160.08864	8.4
160.12491	2.8
173.09633	0.9
173.13292	1.1
175.03894	1.6
175.07581	13.1
175.11192	96.0
175.14806	51.9
176.11581	1.9
176.15163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1193
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
55.01885	0.5
55.05526	0.5
56.96570	9.7
57.03447	1.0
60.05652	34.9
61.02934	0.6
61.16675	0.4
67.05544	0.5
69.03430	1.2
69.07064	0.5
70.06596	100.0
70.09985	1.7
71.04997	1.8
71.06927	1.0
72.08154	5.7
72.51118	0.4
73.02933	1.0
74.97619	0.5
77.57133	0.4
81.03439	0.4
84.08150	1.3
84.96029	0.5
85.01436	1.2
85.02914	1.3
86.09740	0.5
86.97606	0.6
88.07612	0.6
89.00803	0.5
97.02897	1.5
97.07647	0.8
98.06055	0.5
98.97594	10.3
98.98479	2.3
98.99039	0.3
101.00876	3.2
103.00639	0.7
103.02437	1.6
107.04971	2.6
110.01295	0.5
110.97565	2.9
112.07572	0.6
112.08739	4.1
112.99128	0.7
113.00872	0.7
114.10316	0.7
115.02440	1.5
115.08669	1.2
116.07103	28.4
116.97286	0.6
116.98631	2.0
119.01929	3.8
119.08558	0.4
121.01669	0.7
128.02267	0.5
128.98618	1.8
130.06549	1.6
130.08788	0.7
130.09767	11.7
131.00116	0.5
131.01880	0.8
132.04427	0.7
132.95772	0.4
132.98102	0.9
133.03473	4.0
134.03532	0.5
140.01257	0.6
141.06554	0.5
145.01704	0.5
145.03439	1.8
149.01820	0.8
150.73412	0.4
150.99144	0.6
151.04507	0.5
155.01933	0.6
156.98077	1.3
157.03467	0.7
157.10925	0.8
158.06010	1.1
158.09264	6.9
158.99667	1.0
163.02609	0.8
165.03952	0.4
174.99156	4.2
175.02910	0.7
175.04507	6.1
175.11914	18.5
193.00171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05501	0.3
56.96568	4.1
57.03437	1.4
59.05021	0.6
60.05653	34.1
61.02923	0.8
68.98338	0.4
69.03443	1.5
70.06596	100.0
71.05010	1.7
71.06960	0.5
71.33170	0.6
72.08160	6.5
73.02924	1.7
74.97639	0.3
81.03417	0.9
82.99861	1.3
84.08151	1.5
84.49374	0.3
85.01415	3.3
85.02911	1.4
88.07665	0.7
91.05506	0.6
97.01430	0.8
97.02907	1.1
97.07637	0.7
98.06071	0.5
98.97587	5.1
98.98499	0.6
99.04458	0.8
101.00892	9.1
101.01580	0.5
102.00983	1.0
102.02419	0.9
102.53104	0.6
103.00648	0.8
103.02444	4.5
107.04964	1.2
109.02954	0.4
109.56076	0.4
110.01254	0.7
110.97565	1.0
111.02946	0.6
111.53709	0.4
112.02903	0.4
112.07604	1.3
112.08741	4.2
113.00874	1.7
114.10328	0.6
114.97050	0.6
115.00686	0.5
115.02449	3.3
115.08711	1.0
116.07100	25.0
116.98667	1.1
117.01038	0.5
119.01921	12.9
120.02079	0.9
121.01630	0.8
121.03474	0.9
122.86007	0.3
127.02398	0.7
127.03932	0.6
128.98596	0.5
130.08693	1.3
130.09758	11.7
131.01904	2.4
132.02118	4.5
132.98105	0.8
133.01753	0.5
133.03473	11.0
135.04004	0.4
137.02942	1.4
140.01256	1.4
141.06572	0.5
143.01897	1.8
145.01685	0.9
145.03445	4.0
146.99577	0.5
147.03169	0.4
149.01811	0.7
151.04561	1.9
155.01907	0.8
157.01617	0.4
157.03517	1.0
157.10881	1.2
158.09262	6.8
161.02921	2.0
162.03186	0.6
163.02740	0.8
163.04434	0.7
173.02934	0.6
174.99231	0.4
175.03035	0.3
175.04533	15.2
175.11916	19.5
175.14740	0.8
176.01099	0.9
185.02979	0.6
186.03030	0.5
186.04588	0.4
187.02664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	1.2
55.05516	8.4
64.46446	1.0
67.05498	2.0
69.07069	26.0
69.24014	7.3
79.05486	3.3
81.07059	7.4
83.08619	5.1
89.72560	0.8
91.05479	11.5
93.07038	5.1
95.08621	7.1
98.98429	2.0
103.05492	1.1
105.07034	31.6
107.08582	6.2
115.05494	1.0
117.06995	4.2
119.08581	92.8
120.08898	1.8
121.10138	3.8
122.86546	0.9
131.08530	4.4
132.09360	1.4
133.10129	76.5
135.11674	1.0
145.10106	7.0
146.10907	1.3
147.11687	13.6
159.11530	1.1
160.12477	3.7
173.13283	3.1
175.14824	100.0
176.15167	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	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05513	10.8
58.54470	0.7
64.69617	0.6
65.03952	0.7
67.05523	3.2
69.07072	21.1
70.57930	1.4
70.58282	1.4
79.05506	5.5
80.39442	0.8
81.07058	17.2
83.08637	3.9
91.05481	17.4
93.07043	7.6
95.08617	12.2
98.98470	3.4
102.88132	0.7
103.05477	1.1
105.07037	46.1
106.07391	0.8
107.08591	10.2
112.81238	0.7
115.05451	2.1
117.07035	6.2
119.08587	100.0
120.08917	1.0
121.10135	3.0
131.08546	7.7
132.05728	1.6
132.09340	1.2
133.10136	94.0
134.10602	1.2
135.11670	0.7
145.10135	8.5
146.10878	2.6
147.08096	1.6
147.10535	0.9
147.11691	15.7
158.10770	0.9
160.05243	1.7
160.12491	3.9
173.13205	3.6
175.07559	2.9
175.14832	93.9
176.15123	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.63568	0.6
53.03939	1.7
55.05513	4.3
57.07066	1.0
60.05653	0.6
63.76332	0.5
65.03959	0.9
67.05184	1.0
67.05511	14.0
69.07072	4.0
69.13303	2.0
69.13726	3.8
70.06589	1.7
77.03925	0.5
79.05497	19.6
81.07059	31.8
83.08608	1.0
91.05483	30.7
93.07048	32.8
95.04964	1.2
95.08608	22.7
96.43901	0.5
97.10152	1.3
98.98470	35.3
103.05466	0.8
105.03387	0.7
105.04560	0.7
105.07035	28.1
107.08594	11.0
109.10158	3.6
115.03882	0.7
117.07036	2.0
119.08585	36.5
121.10153	4.9
128.06252	0.8
131.08565	4.4
133.10136	35.6
134.10687	0.5
145.10100	1.4
146.10867	1.1
147.04410	1.6
147.07986	0.7
147.11687	15.5
147.12823	1.0
157.10100	1.0
160.12411	0.6
170.47784	0.6
170.55179	0.5
173.13242	2.0
175.03891	1.1
175.07564	1.9
175.11246	4.0
175.14832	100.0
176.15167	2.3
194.04437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.41048	0.4
53.03935	1.8
55.05512	4.4
56.79488	0.7
56.94871	0.5
57.07066	0.6
58.71663	0.4
65.03938	0.8
67.05140	0.8
67.05503	15.9
69.06731	0.6
69.07063	3.2
70.06570	1.5
71.49568	0.7
71.83031	0.4
77.03959	0.7
79.05495	20.9
79.61830	0.5
81.07056	37.1
83.08603	0.8
85.74268	0.5
91.05486	31.1
93.07044	36.4
95.04966	1.2
95.08607	28.8
98.98469	24.8
98.98935	0.4
103.05422	0.5
105.04504	0.9
105.07031	28.1
106.07346	0.7
107.08588	10.3
109.10167	2.9
112.53801	0.5
116.06213	0.5
117.07011	1.9
119.08585	31.4
120.08873	0.5
121.06397	0.5
121.10152	6.1
131.08572	3.9
133.10130	37.5
134.10559	0.6
145.10115	0.9
147.08038	0.7
147.11690	16.1
157.04257	1.4
157.10133	0.8
173.13274	2.5
175.03860	0.5
175.07625	1.3
175.11221	2.9
175.14824	100.0
176.07138	0.6
176.15295	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.87441	0.9
53.03942	1.1
55.05518	8.6
55.88247	0.9
57.07055	1.3
63.18657	0.8
67.05490	3.1
69.07071	19.4
69.42902	3.4
69.43327	3.0
70.06591	1.2
71.90993	0.8
79.05493	4.4
81.07057	11.9
83.08611	3.9
91.05479	13.5
93.07047	5.7
95.08615	8.6
96.88004	1.0
98.21469	1.5
98.98456	3.3
105.07036	43.8
107.08600	8.4
115.05445	1.1
117.07005	3.4
119.08585	88.6
120.08849	1.1
121.10120	3.3
131.08577	8.3
133.10138	68.8
134.10411	1.1
145.10152	5.2
146.10915	2.5
147.11693	15.7
148.11981	1.1
160.05199	0.9
160.12491	2.3
173.13257	2.8
175.07458	1.6
175.14832	100.0
176.15184	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05515	11.9
57.07074	1.3
58.29652	1.1
61.60059	1.1
67.05495	5.0
69.07071	16.2
70.44539	2.2
70.44911	2.6
74.50951	1.0
77.06628	1.4
79.05495	5.8
81.07056	16.0
83.08615	3.9
91.05489	17.8
93.07067	8.4
93.07597	1.7
95.08610	11.3
96.33427	1.0
98.98473	2.0
103.05473	1.4
105.07038	55.4
107.08595	9.5
111.51780	1.1
112.00289	1.1
117.06997	4.8
119.08587	97.3
120.08933	1.6
121.10134	1.6
131.08572	10.4
132.09323	1.9
133.10136	67.9
134.10461	2.0
145.10077	5.5
146.10931	4.8
147.11685	21.4
160.12514	1.6
173.13275	3.1
175.14841	100.0
176.15199	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.6
57.07067	1.4
59.97741	1.1
62.03978	1.0
67.05507	3.0
69.06737	1.6
69.07073	22.3
70.74315	2.4
79.05477	3.5
81.07043	8.6
81.09328	1.1
83.08615	4.9
91.05482	11.1
93.07038	3.6
95.08610	6.0
98.98428	2.0
100.00832	1.0
105.07036	31.3
106.60318	1.0
107.08609	6.8
117.07021	5.2
119.08585	100.0
120.08893	1.6
121.10127	1.7
131.08530	5.4
132.09370	1.7
133.10136	78.7
134.10498	1.3
145.10115	7.9
146.10883	2.9
147.11690	12.5
160.12495	4.2
173.13277	3.1
175.14833	94.4
176.15175	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.92965	1.0
53.03945	1.0
55.05510	9.7
67.05502	1.6
67.09503	1.0
69.07067	28.0
70.20723	4.0
79.05492	5.3
81.07061	5.3
81.90770	1.0
83.08607	4.4
91.05473	10.7
91.20795	1.0
93.07036	4.5
95.08617	6.9
105.07034	29.4
107.08610	5.6
117.07011	2.9
119.08583	100.0
121.10144	2.4
131.08546	4.9
133.10132	84.3
145.10133	9.2
146.10851	1.3
147.11705	12.8
160.12498	4.6
173.13289	2.9
175.14830	98.0
176.15253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	8.7
57.07071	2.3
67.05491	3.4
68.96461	0.9
69.07071	24.4
70.83257	1.9
71.55047	1.0
72.53452	1.0
79.05484	4.3
79.71948	1.0
81.07056	11.4
83.08617	4.9
91.05500	10.3
93.07043	5.9
95.08595	7.9
98.98461	2.5
103.05452	1.2
105.07035	35.1
107.08590	6.4
117.06981	3.7
119.08587	97.2
121.10124	3.0
131.08549	4.0
132.09308	1.1
133.10133	81.9
134.10526	1.8
135.11737	1.5
145.10092	8.0
146.10869	2.8
147.11696	14.8
159.11618	1.4
160.12488	3.2
168.52605	1.2
173.13287	2.9
175.07614	1.3
175.14830	100.0
176.15170	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93329	1.4
54.21551	1.3
60.05644	2.1
69.67097	3.2
69.67513	5.6
70.06590	5.8
71.06922	5.6
98.20803	1.7
104.49327	1.4
117.07389	1.7
125.36238	1.4
132.02118	100.0
176.01105	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	176.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
57.03453	1.0
60.04515	3.1
68.04949	0.9
69.07079	1.0
69.67437	0.8
70.06593	99.2
71.04993	100.0
71.06915	1.8
71.48347	1.0
72.05309	1.2
72.20529	0.8
79.05476	2.3
79.11118	0.8
81.03452	0.8
81.07036	2.0
88.07630	45.9
89.03957	3.9
91.05470	4.5
92.05799	2.9
93.07036	2.3
94.53671	0.8
95.04961	1.2
95.08601	1.4
97.12726	0.8
98.06050	2.0
98.97519	0.9
98.98482	6.9
99.04444	3.9
103.05451	2.8
105.07045	4.9
106.06650	0.8
106.07329	4.3
107.04958	4.5
107.08592	2.2
116.07068	3.2
116.97222	4.2
117.03379	6.4
117.05489	6.6
117.07042	1.4
119.07272	1.1
119.08566	3.9
120.08097	4.1
120.08907	8.5
120.16811	0.9
121.06471	2.4
121.10069	0.9
130.05615	1.3
130.06548	14.3
130.08638	54.7
131.04866	1.3
131.08600	1.6
132.04445	2.4
133.06509	1.0
133.10138	2.0
134.03587	1.1
134.08134	24.4
134.10446	6.5
134.95847	1.1
135.04437	1.1
135.08083	1.2
135.36475	0.8
145.02859	7.7
147.04396	1.1
148.03912	1.9
148.07521	3.3
148.08519	1.1
148.12079	1.5
149.05988	4.4
152.82983	0.8
152.96906	1.3
155.05850	0.9
158.06039	4.1
159.11719	1.0
162.03047	1.1
175.98479	1.0
176.06932	6.1
176.09233	2.7
176.10587	1.9
176.15166	10.2
177.05429	4.6
177.09120	3.0
177.12761	2.0
187.39296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00662	0.4
54.11800	0.3
54.98637	0.4
56.96304	0.6
56.96568	8.9
59.57251	0.3
69.61133	2.2
69.74041	0.3
71.95272	2.4
82.01469	0.5
89.67822	0.4
98.20839	0.4
98.97589	100.0
101.00887	0.6
103.00618	0.3
107.04965	0.7
113.00844	2.5
116.98625	37.5
117.03362	0.4
118.92089	1.5
119.01949	0.7
129.04016	0.4
131.01906	4.8
134.99655	8.1
136.02400	0.5
136.93121	3.0
140.00217	0.8
145.02838	0.9
146.19339	0.4
149.02911	0.5
154.03462	2.0
154.94186	3.0
158.99696	0.6
172.01430	0.4
172.95306	1.5
177.00795	1.3
177.04225	0.5
182.67039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01869	1.1
55.05492	1.4
56.34510	0.7
63.02369	1.5
65.03923	1.0
65.05033	0.8
67.05503	2.2
69.03419	1.0
69.07059	2.4
71.49185	1.1
74.82024	0.7
76.12059	0.9
77.03948	0.8
78.04707	3.1
79.05486	5.5
79.47213	0.8
81.07066	4.3
83.08627	1.3
89.03919	54.1
91.05483	10.7
93.07050	8.1
94.90079	0.8
95.04945	2.7
95.08601	3.0
98.98470	36.4
103.05464	4.4
105.03392	1.0
105.07048	3.9
106.04189	5.0
107.04939	2.5
107.08593	5.2
109.06505	1.2
117.03384	91.2
117.07013	6.5
118.03716	2.5
119.04922	1.6
119.08590	1.7
121.02824	1.4
121.06545	4.9
121.10151	6.2
124.05228	1.0
129.07021	0.8
131.04907	3.7
131.08530	4.3
132.04330	0.9
133.10097	2.3
134.03633	12.8
135.04469	7.1
135.08047	1.4
135.11690	1.2
145.02852	100.0
145.06458	3.6
146.03209	1.7
147.04369	1.4
149.02333	3.6
149.05984	32.9
149.09631	2.2
149.13280	1.2
153.93689	1.7
158.06036	1.8
159.04381	1.0
159.08040	1.1
159.11742	4.5
162.03131	4.2
163.03835	3.3
177.05463	41.0
177.08955	7.3
177.10313	1.0
177.12749	14.1
177.16406	2.2
177.44318	0.8
178.04965	2.0
178.08661	1.0
184.17560	0.9
186.05536	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03935	4.9
55.01859	2.9
55.05504	3.0
57.07087	1.4
63.02352	1.0
65.03925	1.7
67.05494	3.5
68.99778	3.2
69.03412	1.1
69.07067	5.7
69.54768	5.7
69.55187	2.7
73.02738	1.3
75.27265	1.2
75.99557	1.0
77.03900	1.3
78.04693	2.8
79.05495	13.4
81.07049	8.1
83.08598	4.0
89.03920	32.1
91.05477	16.6
93.07045	18.2
95.04959	4.9
95.08618	9.6
98.98464	9.5
103.04815	1.6
103.05470	22.4
105.04509	1.9
105.07041	39.0
106.04190	9.0
107.04967	6.2
107.08594	16.6
109.10147	4.2
111.47659	1.1
115.05458	2.7
117.03384	48.2
117.07019	2.6
119.08556	3.4
120.08125	5.8
120.08863	1.5
121.02836	1.2
121.06517	13.3
121.09312	1.7
121.10141	22.3
129.06981	1.1
131.04933	72.7
131.08551	6.6
132.05688	5.0
133.06497	41.1
133.07361	0.8
133.10106	3.5
134.03635	10.6
134.06848	1.5
135.04427	3.5
135.08047	2.4
135.11688	7.6
144.09332	1.4
145.02853	56.8
149.05989	100.0
149.09587	4.3
149.13304	1.9
159.04420	42.5
159.08051	3.2
159.11667	3.5
162.03143	3.6
163.03970	2.5
177.05478	73.1
177.08960	8.1
177.12759	9.3
177.16478	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01601	1.2
51.02356	1.3
53.03953	8.6
55.01877	7.1
55.05512	5.5
57.03429	1.1
65.03934	3.0
65.77540	1.1
67.05497	5.3
68.70985	1.3
68.99785	9.5
69.03417	2.7
69.07065	7.2
70.51796	3.6
70.88045	1.0
77.03923	3.3
78.04705	7.7
79.05492	23.1
80.05814	1.3
81.03412	1.4
81.07072	8.0
83.04981	1.5
83.08620	5.7
84.73432	1.0
85.06509	1.3
89.03919	29.0
91.05482	35.5
93.03377	1.3
93.06490	2.2
93.07046	35.7
95.04967	8.7
95.08606	10.6
98.98460	15.9
103.05473	54.8
103.70815	1.3
105.03384	1.5
105.04511	2.9
105.07030	42.3
106.03478	2.1
106.04176	36.3
107.04968	7.6
107.08595	29.1
109.02846	1.2
109.06554	3.2
109.10144	4.0
115.05445	4.7
116.06203	1.6
117.03379	47.6
117.07037	5.9
119.04941	2.0
119.08585	8.4
120.08076	1.1
121.02866	2.8
121.06511	34.6
121.09414	1.3
121.10141	34.9
124.22161	1.1
129.06995	2.7
131.04933	73.8
131.08562	9.2
132.04443	2.5
132.05788	5.7
133.06500	29.4
133.10097	4.1
134.03639	11.9
135.04384	3.9
135.08041	4.7
135.10840	1.4
135.11694	12.6
139.03238	1.1
145.02847	53.8
145.06497	3.0
147.04413	3.2
147.08055	2.8
148.05151	2.0
149.05988	82.7
149.09634	5.6
149.13268	2.9
150.06302	1.5
159.04414	33.2
159.05548	3.3
159.08020	4.0
159.11697	5.6
162.03117	4.5
162.06656	1.3
163.03923	2.7
177.05472	100.0
177.09103	17.0
177.12746	19.4
177.16469	15.2
178.04895	11.7
178.08772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03950	6.6
53.23059	1.5
55.01616	1.4
55.01867	6.0
55.05495	5.3
63.02381	1.7
65.03935	1.9
67.05515	6.1
68.99786	7.7
69.03416	4.3
69.07065	10.3
69.24619	10.7
77.03935	2.7
78.04723	3.2
79.05499	18.7
81.03400	1.5
81.07043	10.1
83.04967	1.9
83.08620	6.4
84.24584	1.2
89.03925	18.5
91.05486	23.3
93.07042	25.6
95.04970	7.2
95.08618	16.4
98.98463	15.8
102.47216	1.4
103.05476	32.8
105.04514	3.1
105.07039	45.2
106.04192	11.2
107.04951	9.3
107.08602	30.9
109.06489	1.8
109.10169	4.6
111.94454	1.3
115.05458	4.5
117.03388	31.7
117.07031	3.0
119.04982	1.6
119.08598	6.5
120.08103	4.7
121.06514	26.6
121.10148	47.5
122.06916	1.3
129.07036	2.7
131.04938	100.0
131.08566	8.8
132.05679	5.8
133.06505	39.1
133.10062	1.5
134.03633	7.3
135.04390	3.6
135.08055	4.0
135.11693	7.7
144.09387	1.7
145.02852	32.3
147.04375	2.0
147.08084	2.1
149.02354	2.1
149.05989	49.0
149.09657	8.3
149.13275	3.4
149.94556	1.5
159.04427	90.3
159.08012	2.8
159.11705	6.2
160.04831	3.0
162.03142	4.0
163.03836	2.8
177.05479	94.5
177.08864	8.8
177.12752	17.8
177.16400	21.2
178.04965	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03957	9.0
55.01866	7.8
55.05511	12.4
65.03931	2.7
67.05499	10.2
68.99765	6.5
69.03395	2.4
69.07072	23.9
69.54431	8.4
69.54857	3.5
69.99088	1.7
72.69077	1.7
75.78389	1.7
77.03949	2.0
77.13719	1.8
78.04704	9.2
79.05494	30.9
81.07069	24.5
83.08613	13.6
89.03913	32.0
91.05487	45.7
93.07047	56.1
95.04974	8.9
95.08000	2.2
95.08615	46.2
97.10171	4.6
98.98468	16.6
103.05476	32.5
105.04535	4.7
105.07041	47.5
106.04182	39.3
107.04967	9.3
107.07880	4.0
107.08601	77.2
109.06476	3.5
109.10165	12.1
115.05478	4.3
117.03388	51.9
117.06192	1.6
117.07031	6.3
119.08572	6.5
121.06527	26.7
121.10151	100.0
131.04936	78.3
131.08591	8.3
132.04388	3.4
132.05721	4.3
133.06503	34.4
133.10147	4.8
134.03659	10.8
135.04483	3.2
135.11668	18.9
140.61507	1.9
144.05695	3.4
145.02855	59.4
146.03659	2.3
147.04465	2.4
149.02351	2.3
149.05995	59.1
149.09540	2.6
149.13264	5.8
159.04434	39.5
159.08017	2.9
159.11743	7.6
162.03130	5.7
162.06770	2.3
163.03865	4.0
177.05479	77.0
177.09068	15.6
177.12788	18.1
177.16403	57.7
178.04907	11.5
192.46428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02391	1.0
53.03933	3.0
55.01877	6.2
55.05518	4.7
57.03429	2.9
65.03934	1.9
67.05508	23.1
69.03439	1.2
69.07066	8.2
71.04980	1.1
71.29178	1.9
78.04707	1.1
79.05495	31.0
81.03409	2.4
81.07059	38.1
81.07535	1.9
83.04972	3.8
83.08605	2.6
85.06541	1.3
89.03924	11.0
91.05482	39.2
93.07047	50.0
95.04974	9.4
95.08607	11.2
97.06019	1.0
97.06544	10.4
98.98475	18.8
103.05468	3.3
105.07030	20.9
106.04160	0.9
107.04949	5.3
107.08593	19.7
107.41370	0.8
109.06527	5.5
109.10130	1.4
111.08083	3.1
112.66894	1.0
115.05431	1.5
116.06268	1.1
117.03387	16.4
117.07021	21.8
119.08597	6.6
121.06514	6.1
121.10150	13.3
123.08055	1.1
125.32683	0.7
129.07018	1.7
131.04933	2.3
131.08580	27.4
133.06511	1.1
133.10138	29.5
134.03612	3.8
135.04408	2.4
135.08061	10.7
135.11685	10.1
144.09332	1.9
145.02858	18.3
145.06567	0.8
147.11723	1.1
149.02299	2.5
149.05997	9.0
149.09636	4.8
149.13254	17.0
157.10083	1.5
159.04416	1.5
159.08055	2.0
159.11697	49.7
162.03056	2.0
177.05499	11.3
177.09218	5.7
177.12750	100.0
177.16231	2.3
178.13255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	1.0
55.01857	1.3
55.05505	1.9
57.03431	0.8
65.03930	0.6
67.05502	5.9
68.44653	0.4
69.03387	0.3
69.07062	2.2
69.21845	2.7
77.03880	0.5
78.04697	0.5
79.05489	7.5
81.03415	6.2
81.06590	0.5
81.07053	6.8
83.04974	0.7
83.08600	1.3
86.22707	0.3
89.03917	6.3
91.05473	7.8
93.07042	10.3
95.01350	0.3
95.04972	4.1
95.08603	4.1
97.06520	0.9
98.21547	0.6
98.98467	11.3
100.98848	0.3
103.05467	1.2
105.07033	4.8
106.04157	0.6
107.04961	3.7
107.08595	6.2
109.06507	1.3
109.10136	0.9
115.05421	0.4
117.03376	9.2
117.07014	3.9
119.08541	1.7
121.02868	0.4
121.06504	2.4
121.09322	0.6
121.10139	6.0
122.06821	0.3
129.07016	0.8
131.04872	0.8
131.08566	4.8
133.06479	0.5
133.10104	1.9
134.03650	1.5
135.04433	1.4
135.08055	1.5
135.11685	2.0
145.02843	10.2
146.19016	0.3
149.02353	1.7
149.05984	5.1
149.09593	1.1
149.13249	1.1
159.04376	0.4
159.08025	1.1
159.11678	3.4
162.03119	1.0
163.03937	0.7
177.05443	5.9
177.09427	3.0
177.12737	100.0
178.04919	0.5
178.08656	0.5
178.13100	3.1
178.59650	0.3
186.05513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03937	7.4
55.01873	9.4
55.05518	28.7
57.03420	7.6
57.07082	4.5
65.03933	4.5
67.05508	22.3
69.03426	8.9
69.06692	2.0
69.07069	38.1
70.03745	7.0
71.04987	7.3
77.03928	3.4
78.04710	3.9
79.05496	63.3
81.03419	3.5
81.06600	2.9
81.07060	49.7
83.04973	6.7
83.08629	13.2
86.70374	1.9
89.03922	32.3
91.05486	66.6
93.07050	100.0
95.04957	11.0
95.08064	2.6
95.08611	27.7
97.06522	4.6
97.10168	2.0
98.98479	30.8
103.05494	10.0
105.04498	3.5
105.07036	49.3
106.04178	10.5
107.04971	11.7
107.08603	74.5
109.06531	10.6
109.10143	6.4
115.05481	5.7
116.06274	2.5
117.03387	48.5
117.07028	37.3
117.40245	2.2
119.08582	20.7
119.18671	2.0
120.08917	2.4
121.06510	28.1
121.09332	4.0
121.10149	47.9
122.07373	2.5
123.08092	3.6
129.07007	8.2
130.07825	5.0
130.55249	2.1
131.04926	13.8
131.08574	49.9
133.06468	6.2
133.10152	13.7
134.03642	11.0
135.04420	3.7
135.08073	18.7
135.11679	16.9
142.07863	2.1
144.09315	10.3
145.02850	63.2
149.02385	3.7
149.05980	30.5
149.09604	7.4
149.13252	17.7
159.04414	4.8
159.08073	6.8
159.11690	40.1
162.03242	3.9
162.06648	3.1
162.32666	2.1
177.03897	2.4
177.05469	41.7
177.06882	3.2
177.09138	16.1
177.12758	80.6
177.16460	12.0
178.04938	4.8
178.13153	2.6
181.02026	2.0
198.52631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03946	3.4
55.01871	1.5
55.05271	1.1
55.05518	14.2
57.07071	2.1
62.57655	0.7
65.03933	1.7
67.05510	47.6
69.07071	10.5
70.79660	1.6
72.97788	0.8
73.24931	0.8
77.03899	1.3
79.05499	65.6
80.05780	0.8
81.07063	37.9
83.08614	6.8
89.03925	5.0
91.05486	17.5
93.07049	79.4
94.07368	1.5
95.04965	3.3
95.08614	48.8
96.17774	0.9
97.06557	2.6
97.10183	2.2
98.98470	12.2
103.05486	1.7
105.04539	1.2
105.07037	6.8
106.04160	1.1
107.04959	2.2
107.08601	42.0
109.06523	2.4
109.10165	18.6
117.03389	7.5
117.07025	5.1
119.08552	2.1
121.06476	1.9
121.10151	100.0
122.10445	1.0
123.11720	1.1
131.04900	1.0
131.08588	6.6
133.10147	5.8
134.03673	1.1
135.04446	0.8
135.08028	1.8
135.11697	35.3
136.11920	0.9
145.02863	8.7
149.02332	2.1
149.05974	3.8
149.09627	1.1
149.13275	4.5
159.07986	1.1
159.11688	8.9
177.05470	5.4
177.09148	2.0
177.12776	23.0
177.16399	44.4
178.05006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02375	0.9
53.03943	3.6
55.01871	2.1
55.05516	12.5
57.07076	2.6
59.64690	0.7
65.03950	1.7
67.05508	47.8
68.05845	0.6
69.07072	10.7
69.39816	5.2
77.03925	1.3
79.05499	71.0
81.03403	0.8
81.07060	37.8
83.08632	8.0
89.03957	1.7
91.05481	18.1
91.06024	1.1
93.07050	81.1
94.07393	1.0
95.04990	4.8
95.08614	50.3
97.06537	1.7
97.10162	3.5
98.98470	5.5
105.04500	1.5
105.07043	5.8
107.04951	2.0
107.08600	43.2
108.08890	0.7
109.06548	1.4
109.10162	18.8
117.03378	2.5
117.07037	4.8
118.01579	0.7
119.08577	1.6
120.56509	0.7
121.10152	100.0
122.10463	1.1
122.44473	0.7
123.11701	0.9
131.08556	5.7
133.10149	7.1
135.08078	1.5
135.11699	33.8
145.02867	4.4
149.05972	1.2
149.09608	0.7
149.13289	5.7
152.82950	0.6
159.11694	9.1
177.05426	2.0
177.09033	0.9
177.12781	19.3
177.16397	42.4
178.13020	0.7
178.16760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01876	2.6
55.05511	19.6
56.07090	1.2
57.07074	2.6
62.66304	1.2
65.03935	2.3
67.05521	9.4
68.99802	1.8
69.07069	26.8
71.48351	1.6
72.48356	1.1
77.03933	2.3
78.04700	6.5
79.05502	25.4
81.07053	24.4
83.08614	16.1
89.03915	25.8
90.73082	1.4
91.05481	31.5
92.85410	1.2
93.07043	58.0
95.04974	4.6
95.08614	45.2
97.10176	4.7
98.98467	13.4
100.45369	1.4
103.05467	10.0
105.04503	2.0
105.07031	23.6
106.04185	21.3
107.04961	3.3
107.08598	77.2
109.10150	16.3
115.05435	1.8
116.06279	1.6
117.03390	37.8
117.07025	4.1
119.08580	15.5
120.08889	1.6
121.02907	1.8
121.06505	14.6
121.10145	100.0
129.07054	2.3
131.04930	17.9
131.08562	8.9
132.04463	2.2
133.06500	10.6
133.07446	1.8
133.10139	4.7
134.03638	8.6
135.04453	3.8
135.08066	3.8
135.10767	2.6
135.11694	28.3
145.02852	45.3
149.02379	2.5
149.05988	31.3
149.09631	2.7
149.13252	9.0
150.06429	1.7
159.04407	9.2
159.08026	3.7
159.11696	7.8
162.03162	5.0
163.03868	2.4
172.85757	1.4
177.05475	35.7
177.09113	10.7
177.12807	14.9
177.16420	53.1
178.04935	8.5
178.08647	2.6
184.88257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03941	5.6
55.01876	2.6
55.05511	19.6
56.07090	1.2
57.07074	2.6
62.66304	1.2
65.03935	2.3
67.05521	9.4
68.99802	1.8
69.07069	26.8
71.48351	1.6
72.48356	1.1
77.03933	2.3
78.04700	6.5
79.05502	25.4
81.07053	24.4
83.08614	16.1
89.03915	25.8
90.73082	1.4
91.05481	31.5
92.85410	1.2
93.07043	58.0
95.04974	4.6
95.08614	45.2
97.10176	4.7
98.98467	13.4
100.45369	1.4
103.05467	10.0
105.04503	2.0
105.07031	23.6
106.04185	21.3
107.04961	3.3
107.08598	77.2
109.10150	16.3
115.05435	1.8
116.06279	1.6
117.03390	37.8
117.07025	4.1
119.08580	15.5
120.08889	1.6
121.02907	1.8
121.06505	14.6
121.10145	100.0
129.07054	2.3
131.04930	17.9
131.08562	8.9
132.04463	2.2
133.06500	10.6
133.07446	1.8
133.10139	4.7
134.03638	8.6
135.04453	3.8
135.08066	3.8
135.10767	2.6
135.11694	28.3
145.02852	45.3
149.02379	2.5
149.05988	31.3
149.09631	2.7
149.13252	9.0
150.06429	1.7
159.04407	9.2
159.08026	3.7
159.11696	7.8
162.03162	5.0
163.03868	2.4
172.85757	1.4
177.05475	35.7
177.09113	10.7
177.12807	14.9
177.16420	53.1
178.04935	8.5
178.08647	2.6
184.88257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.38971	1.2
53.03934	3.4
55.01859	1.7
55.05511	11.4
57.07062	1.5
63.02339	1.3
66.30629	1.4
66.52276	1.1
67.05500	7.2
67.34463	1.2
68.99778	2.4
69.06734	1.9
69.07073	28.2
77.03949	1.3
78.04691	2.0
78.06750	1.2
79.05500	18.7
81.07056	17.3
83.08623	13.7
89.03916	24.3
91.05479	20.3
93.07043	38.0
95.04968	4.3
95.08608	37.8
97.10162	2.3
98.98463	6.2
103.05463	12.4
105.07029	32.9
106.04173	4.1
107.04937	3.0
107.08597	66.1
109.10158	11.7
115.05440	2.9
117.03387	39.8
117.07047	1.2
119.08576	3.6
121.06522	7.2
121.10146	100.0
123.08099	1.8
123.11693	1.5
131.04933	48.0
131.08600	3.8
132.05699	2.9
133.06503	27.6
133.10085	3.1
134.03658	7.0
135.04378	2.6
135.08058	1.4
135.11690	18.6
145.02847	51.0
149.02284	1.4
149.05978	34.2
149.09599	4.4
149.13234	6.2
156.88446	1.3
159.04422	22.2
159.08096	2.0
159.11618	3.6
160.27963	1.2
162.03107	4.1
177.05461	39.3
177.09103	5.2
177.12817	6.6
177.16385	45.4
178.05014	5.5
178.16679	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	178.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08671	0.1
53.03949	0.5
55.01877	0.3
59.05014	0.1
70.53683	0.2
70.54012	0.3
71.00509	0.1
76.02231	0.3
77.03941	0.4
79.05506	0.3
81.03430	0.2
81.07056	0.5
88.02232	0.3
89.03894	0.2
91.05485	0.6
92.05800	0.2
94.06563	1.6
95.04980	0.6
98.20824	0.1
103.05465	0.2
104.04995	7.4
105.03413	0.5
105.04511	0.3
105.07053	0.4
107.04945	0.3
107.08624	0.2
109.06533	0.2
114.03458	0.3
115.05463	0.6
117.03359	0.2
117.05805	0.3
118.04187	0.5
118.06563	0.6
118.96804	0.2
119.04945	0.5
119.08582	0.3
120.04442	0.2
120.08109	0.4
121.08462	0.5
122.06054	2.0
122.06930	0.2
122.09648	0.2
123.04444	0.4
131.04901	0.3
132.04459	26.5
132.08078	2.7
132.09006	0.3
133.04820	0.5
133.06549	0.2
133.10138	0.4
135.04391	0.2
137.05957	0.7
142.06499	0.9
145.02858	0.2
146.03679	2.1
147.04448	1.0
150.06358	0.4
150.09090	0.2
160.03928	1.0
160.07587	6.4
161.09657	0.2
163.03877	0.5
163.06252	0.1
178.04993	100.0
179.03430	0.6
179.05328	2.2
179.06929	0.4
179.10635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
52.29600	0.3
53.03939	0.5
60.65870	0.3
67.05496	0.5
69.77419	1.5
76.02236	0.4
77.03919	0.3
89.32301	0.3
91.05436	0.3
94.06569	1.7
95.04962	0.8
98.20818	0.3
104.04994	6.6
105.03351	0.4
105.06978	0.3
114.03410	0.3
114.33621	0.3
117.11031	0.3
118.03704	0.3
121.14865	0.3
122.06049	2.0
131.24977	0.3
132.04459	24.4
132.08064	0.4
133.02826	0.4
133.04732	0.4
134.09628	0.9
147.04367	0.4
154.61566	0.3
160.03944	0.8
178.04999	100.0
178.12253	1.1
179.03435	1.2
179.05339	1.9
189.75807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03957	0.5
62.56356	0.1
69.33199	0.2
69.66420	0.9
77.03944	0.4
91.05482	0.3
94.06552	1.1
95.04993	0.5
104.04993	7.1
104.86307	0.1
105.03383	0.5
105.04520	0.3
105.07028	0.4
107.08606	0.5
111.75739	0.1
114.03415	0.3
121.09288	0.2
122.06034	1.9
131.98743	0.2
132.04456	25.0
133.04765	0.5
133.10138	0.5
137.06010	0.2
160.03879	0.8
161.09644	0.3
178.04993	100.0
179.03767	0.3
179.05339	2.0
179.10707	0.7
199.99744	0.2
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	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05490	0.7
60.24559	0.3
62.74926	0.3
64.29838	0.4
67.05497	0.9
69.03421	0.4
69.07048	0.9
69.80904	0.4
70.07399	0.5
71.24255	0.5
76.02242	0.5
79.05491	0.6
80.05803	0.5
81.07059	1.0
83.08595	0.7
88.02184	0.4
90.36757	0.4
91.05490	1.8
92.05819	0.6
93.07027	1.7
94.06569	1.7
94.07355	2.2
95.04935	0.6
95.08607	1.7
95.62106	0.4
96.08907	1.4
104.05003	6.7
104.05723	0.6
105.03371	0.6
105.07014	1.3
106.07357	1.1
107.04486	0.5
107.08593	1.7
108.08923	2.9
109.10145	0.4
110.10523	0.5
111.60967	0.3
111.90202	0.4
116.93362	0.3
118.03690	0.5
118.06534	0.4
119.04918	1.0
119.08546	0.4
120.08902	0.5
121.06463	0.5
121.10155	2.4
122.06013	2.2
122.06807	0.8
122.10473	5.3
123.04462	0.4
132.04459	22.5
132.05322	0.9
133.10126	0.5
136.12032	0.9
142.11578	0.4
146.03317	0.8
147.04416	1.3
150.06332	1.1
150.10030	0.6
160.03873	0.7
161.05946	0.4
163.03870	0.5
178.04987	100.0
178.16785	2.8
179.03410	1.1
179.05304	1.4
179.06941	0.4
179.10735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
57.10197	0.4
70.93272	0.6
77.03957	0.4
79.05457	0.5
83.71432	0.3
89.03939	0.3
90.89754	0.3
91.05487	1.2
93.07059	0.5
94.06579	1.1
94.07399	0.3
95.04987	0.6
104.04997	6.6
104.05714	0.6
105.07035	0.9
106.06544	0.8
107.04964	0.3
108.08927	0.5
115.05465	7.1
116.04994	0.7
117.03366	0.3
117.05781	3.2
118.04239	0.7
118.06552	8.8
119.04983	0.7
120.08123	1.7
122.06026	1.8
122.06800	0.3
122.10511	0.7
123.04417	0.8
124.69415	0.3
132.04462	43.0
132.08099	39.8
133.04768	0.5
133.08450	0.7
140.04961	1.3
142.06531	12.9
146.03691	2.3
147.04411	1.5
150.09113	0.6
160.07588	100.0
161.05978	0.3
161.07918	2.2
163.03880	0.7
178.04997	76.9
178.08504	7.4
178.16660	0.4
179.03346	1.1
179.05321	1.5
179.06924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Valerianine
Peak:m/z	Relative Intensity
50.85159	0.4
53.03936	0.5
55.05508	0.4
56.96569	0.5
57.59340	0.4
58.99580	1.5
59.93111	0.9
60.04515	0.4
60.50553	0.4
70.45708	0.5
70.46037	0.7
73.73719	0.5
76.02230	4.3
76.31522	0.3
77.31106	0.3
79.05498	0.7
80.05012	0.6
83.06109	0.4
85.60679	0.4
88.02215	1.3
91.05499	1.0
93.05794	0.4
94.06555	0.6
95.04967	0.6
98.97591	0.4
101.30760	0.3
105.07008	1.1
106.06548	0.6
107.08587	0.8
110.07188	0.5
115.05446	0.7
116.01658	0.8
117.05717	0.5
117.07018	1.9
118.06553	9.1
118.96772	3.2
119.07336	9.6
122.06026	0.6
123.04414	0.6
132.04475	0.9
132.08075	1.0
133.02827	0.8
133.99075	0.7
134.09659	61.7
135.10013	1.0
136.95433	0.6
144.01128	0.5
147.04366	0.5
154.96454	0.5
160.03941	0.8
160.11186	0.8
161.05972	0.5
162.09126	1.6
163.09953	1.2
177.98096	1.1
178.04967	6.0
178.09027	2.1
178.12279	100.0
179.03387	1.7
179.06822	0.4
179.12624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02369	0.9
53.03943	1.0
55.01873	2.5
55.05502	1.3
57.03438	0.5
65.03960	0.6
67.05515	3.1
68.99776	0.6
69.03436	0.7
69.07062	1.1
70.06577	0.8
71.05001	0.5
71.40321	0.9
74.46552	0.5
76.02218	1.9
77.03928	1.4
79.05487	2.4
79.05871	0.4
81.07046	2.9
81.41095	0.4
83.04959	1.1
83.08611	0.9
84.08128	0.8
85.06548	0.6
89.03917	1.8
91.05477	7.1
92.10194	0.5
93.07057	3.0
94.06580	0.9
95.04960	6.4
95.08608	3.9
97.02866	0.5
103.05389	0.4
105.03405	4.3
105.07031	6.5
107.04944	1.3
107.08601	2.4
109.02902	0.9
109.06502	2.2
109.10117	2.2
110.07159	0.6
115.05490	0.4
116.01696	0.7
117.03397	1.4
117.07000	0.7
119.04950	7.2
119.08574	4.7
120.08099	0.6
121.06492	1.4
121.10136	3.1
123.04429	44.3
123.08046	3.9
123.11681	0.9
131.08572	0.4
133.02856	27.6
133.06526	2.0
133.07477	0.4
133.10136	6.9
134.03171	0.6
134.05977	0.7
135.04417	4.9
135.08046	0.6
135.11667	1.9
136.05220	0.5
137.05952	1.5
137.09605	2.6
137.13197	0.9
143.08580	0.5
147.03247	0.6
147.04417	11.1
148.08826	0.7
151.03899	10.0
151.07495	0.7
151.11169	1.3
161.02382	0.7
161.06007	2.6
161.09598	4.4
161.13269	0.9
162.02097	0.5
174.85201	0.4
179.03397	100.0
179.10629	6.3
179.12013	0.7
179.14307	5.9
180.03723	1.9
180.06464	0.5
185.09912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0485
Annotation	L-Cys-Gly
Peak:m/z	Relative Intensity
55.01875	0.5
55.05511	0.3
57.98812	1.1
58.99588	31.7
60.04500	0.3
61.01142	0.3
64.84528	0.3
65.78613	0.3
67.05520	0.4
70.06579	0.5
70.87534	0.6
71.04944	0.2
73.01146	0.8
76.02229	100.0
76.03986	3.8
77.02557	0.4
79.05490	0.4
79.28117	0.2
81.07060	0.5
84.08133	0.5
86.99055	6.2
88.02222	3.0
91.05484	1.1
97.02890	0.4
98.97536	0.3
103.05481	0.3
105.07017	0.9
106.06557	0.2
107.04958	0.6
110.07199	0.4
116.01683	24.0
117.02014	0.3
119.04935	0.9
123.04440	0.9
133.02844	0.7
133.06517	0.6
133.10144	0.7
137.05956	0.3
144.01149	8.3
147.04413	1.2
151.07516	0.4
161.05966	0.8
161.09604	0.3
162.02205	10.5
178.97887	0.4
179.03365	2.8
179.04887	1.2
179.07111	1.2
179.10602	0.6
179.12602	1.0
179.14081	0.3
183.78102	0.2
194.79773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
52.12447	0.9
53.03938	1.3
55.01875	31.9
55.05512	9.8
57.03433	8.1
57.07075	2.3
59.05008	7.0
65.03932	4.2
67.05511	9.6
69.03436	1.5
69.07075	6.2
69.94576	1.2
71.04980	4.7
73.06567	5.1
77.03947	1.4
79.05147	0.9
79.05492	10.5
80.06280	1.1
81.03446	1.2
81.07056	13.7
83.04958	2.0
83.08591	2.4
85.06528	2.2
89.03907	2.0
91.05486	58.0
93.07039	12.5
95.04977	9.9
95.08607	20.7
97.06557	1.7
97.10181	1.1
103.05489	7.1
103.10928	0.9
105.03394	1.6
105.07030	34.5
107.04935	4.5
107.08597	45.4
108.05730	2.4
109.06529	14.8
109.10166	10.7
111.04466	1.4
115.05446	3.9
118.04195	5.9
119.04948	68.3
119.08562	11.1
121.06496	2.2
121.10149	35.2
123.04401	6.3
123.08081	19.1
123.11685	4.0
124.07601	1.2
131.08580	1.2
133.02884	1.8
133.06503	22.2
133.10136	12.4
135.04395	2.3
135.08029	1.8
135.11696	22.6
136.05191	8.5
137.05962	5.7
137.09634	13.8
137.13251	14.1
146.03624	13.4
147.04419	100.0
148.04752	1.9
150.10440	1.4
151.03932	1.2
151.07590	5.5
151.11205	10.2
151.14793	1.7
152.06995	1.3
152.10728	4.6
159.58717	1.0
160.03036	1.3
161.05991	52.5
161.09599	4.9
161.13284	8.8
164.04648	4.2
173.79176	1.2
175.76968	1.1
179.03441	14.2
179.05452	2.3
179.07068	37.1
179.08534	3.0
179.10641	11.3
179.14311	48.8
180.10193	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	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03947	1.5
55.01867	2.5
59.67452	0.8
62.04530	0.8
65.03947	2.8
67.05518	4.8
69.07059	1.5
69.92224	3.6
79.05489	5.0
80.06271	0.9
81.07055	6.0
89.03928	1.0
91.05486	38.1
93.07036	7.0
94.06599	1.1
94.79201	0.7
95.04983	4.6
95.08623	5.7
98.21424	1.3
103.05491	2.5
105.03422	1.2
105.07043	13.6
107.04990	1.7
107.08598	1.3
108.05737	3.0
109.06526	2.6
109.10165	2.6
115.05496	1.6
118.04105	0.8
119.04951	71.5
119.08593	4.1
121.06520	3.3
121.10132	1.6
123.04481	4.6
123.08049	5.0
123.11712	1.9
131.04901	0.8
131.35915	0.9
133.02846	2.5
133.06485	4.7
133.10147	5.5
135.04471	0.9
136.05241	3.3
137.05988	1.6
137.09612	1.0
137.13087	0.9
146.03546	1.0
147.04417	100.0
148.04866	1.3
149.06007	1.3
151.07542	10.2
151.11221	0.9
161.05980	4.8
161.09630	2.3
161.13316	2.0
179.03413	10.9
179.07028	15.2
179.08577	3.1
179.10591	5.2
179.14328	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	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.01855	2.4
55.02089	0.7
55.05516	4.9
57.03424	1.1
57.42475	0.7
59.05012	3.9
65.03930	1.5
67.05506	8.6
67.25991	0.7
69.03410	2.2
69.07059	3.2
70.03032	1.8
70.03423	1.6
71.05008	0.8
72.60619	0.7
76.02228	1.5
77.03928	1.0
79.05493	9.5
81.07057	9.4
83.04969	2.6
91.04915	1.5
91.05485	28.6
93.07046	25.7
95.04977	14.4
95.08622	8.5
103.05444	1.9
105.07036	41.9
106.79547	0.8
107.04951	1.6
107.08596	43.6
108.08940	1.2
109.02859	1.2
109.06528	5.4
109.10146	7.8
115.05420	2.1
117.07001	2.5
119.04932	7.4
119.08589	12.6
121.06506	6.7
121.10158	4.9
123.04459	4.5
123.08054	7.1
123.11696	4.6
125.06002	0.8
131.08556	4.1
133.02829	1.1
133.06522	3.5
133.10133	83.6
134.10477	1.4
135.08054	1.8
135.11714	5.0
137.06012	5.4
137.09618	6.7
143.08524	2.4
146.07199	3.6
147.04413	15.9
151.03859	1.2
151.07529	1.3
151.11166	4.3
151.14888	1.2
161.05978	2.7
161.09625	31.4
161.13271	4.6
164.04645	1.3
164.08304	0.9
179.03470	4.2
179.07149	11.4
179.10677	100.0
179.14154	7.2
180.11017	2.5
190.62631	0.8
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	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02406	0.9
52.34715	0.8
53.03950	2.0
55.01867	4.0
55.05507	5.0
55.84120	0.8
57.03446	1.3
57.07079	1.4
58.99589	1.1
59.04995	2.7
64.87174	0.6
65.03950	1.0
67.05502	6.3
68.99806	0.8
69.03438	4.3
69.07063	4.7
71.05013	1.1
71.48361	1.1
76.02229	2.9
79.05496	10.3
81.03417	1.4
81.07059	12.8
83.04977	4.2
84.08157	0.8
87.04509	0.9
91.05486	31.4
93.07044	16.5
94.06561	1.4
95.04971	9.9
95.08606	12.1
97.06516	1.2
103.05463	1.9
105.07032	53.6
106.07336	1.0
107.04980	1.3
107.08595	22.8
108.05704	0.8
109.02892	2.2
109.06513	6.9
109.10172	7.5
111.08115	0.9
115.05458	1.7
117.07019	3.1
118.07805	1.2
119.04948	13.0
119.08586	20.4
121.06512	5.7
121.10155	8.7
123.04420	9.0
123.08073	9.0
123.11701	2.7
125.09651	0.8
128.06242	2.8
131.04948	1.2
131.08559	5.7
132.05690	1.1
133.02866	2.0
133.06564	5.7
133.10135	100.0
134.10451	1.6
135.08078	1.5
135.11664	4.9
136.05191	1.8
136.08797	0.8
137.05998	9.1
137.09613	9.1
137.13255	2.1
143.08588	4.1
146.07248	3.2
147.03247	1.1
147.04416	14.7
149.09610	1.6
151.03885	1.5
151.06546	1.0
151.07597	6.9
151.11195	7.0
151.14781	1.1
161.06001	3.8
161.09619	30.8
161.13249	4.4
162.09995	0.9
179.03470	7.4
179.07253	7.3
179.10678	68.3
179.14256	12.9
180.08835	0.7
180.11018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	4.4
55.01880	7.7
55.05509	15.7
57.03424	4.6
57.07062	6.0
59.04990	2.5
65.03928	4.4
67.05507	87.4
69.03443	8.6
69.07072	13.3
69.20447	7.3
69.20872	6.8
71.04977	6.3
79.05075	2.0
79.05494	24.8
81.03403	3.5
81.07060	65.6
82.07381	1.7
83.04960	4.3
83.08595	4.8
85.06551	2.0
86.00820	1.4
91.05485	25.6
93.06496	2.0
93.07055	27.4
94.06557	3.6
94.33170	1.4
94.84412	1.4
95.04972	19.1
95.08611	100.0
97.06523	3.5
103.05470	1.5
105.07029	30.8
107.04926	3.3
107.08590	13.7
109.02882	1.3
109.06524	13.3
109.10159	48.3
116.43681	1.5
119.04955	9.9
119.08576	20.4
121.06533	1.4
121.10130	6.3
123.04433	11.2
123.08061	19.4
123.11715	3.5
133.02849	6.0
133.06511	5.1
133.10124	16.8
134.06131	1.7
135.04395	1.8
135.11710	8.0
136.02162	3.1
137.05962	4.5
137.09618	22.1
137.13243	3.1
139.01434	1.8
147.04407	16.2
151.03937	3.4
151.07567	2.7
151.14789	8.6
152.07004	2.3
161.05951	7.4
161.09602	4.5
161.13235	10.0
164.04056	2.9
169.38150	1.9
179.03410	25.4
179.06491	12.3
179.08572	4.6
179.10565	10.3
179.11977	1.9
179.14308	46.2
180.06511	2.0
180.10216	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	3.6
55.01881	5.6
55.05516	16.0
57.03440	5.4
57.07056	4.4
65.03936	3.4
67.05508	82.7
69.03430	8.1
69.07069	16.2
69.95720	2.9
69.96128	2.9
71.05000	6.5
71.08617	1.5
73.77117	1.1
79.05497	22.2
81.03422	6.2
81.07059	61.2
82.07399	1.5
83.04967	4.3
83.08636	2.3
85.06554	2.3
85.10194	1.6
88.02209	1.3
89.03910	1.1
91.05490	22.4
93.07043	26.5
94.06596	2.3
95.04974	21.8
95.08613	100.0
97.06522	2.2
98.98515	1.1
101.06016	1.2
103.05421	1.2
105.06322	1.3
105.07031	21.7
106.06541	1.2
107.04952	3.2
107.08604	13.7
109.06516	11.1
109.10162	44.6
111.08115	2.3
117.03457	1.2
117.06997	2.8
119.04955	9.2
119.05752	1.4
119.08582	19.3
121.06509	4.1
121.10146	7.8
123.04439	6.0
123.08073	16.2
123.11684	3.4
131.08553	1.9
133.02797	5.2
133.06482	3.2
133.10135	13.0
135.04373	1.5
135.11693	5.5
137.05997	2.4
137.09618	23.0
137.13248	2.9
146.03683	2.0
147.04427	10.9
149.09554	1.4
151.03914	3.2
151.11205	2.5
151.14847	11.0
152.85313	1.2
161.05968	5.1
161.09595	3.2
161.13283	9.7
164.04140	1.2
179.03401	21.3
179.06490	10.6
179.08598	2.7
179.10609	7.1
179.14313	47.0
180.10173	2.3
183.07852	1.3
196.18791	1.0
198.08380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02370	0.9
53.03951	6.3
54.94160	0.8
55.01874	8.9
55.05513	30.1
57.03421	3.5
57.07067	1.7
65.03956	4.6
67.05508	100.0
69.03422	1.6
69.07074	17.1
71.04989	2.0
77.03949	1.2
79.05499	66.2
81.03426	21.0
81.07060	91.9
82.07357	1.5
83.04986	31.5
83.08629	14.3
85.06525	2.4
91.05486	51.1
93.07051	42.9
93.07600	0.7
95.04961	10.9
95.08611	69.8
97.06537	31.9
97.10153	4.1
98.21619	1.5
99.08090	1.6
103.05479	1.2
105.04534	1.5
105.07042	25.0
107.08591	11.1
109.06535	4.5
109.10166	11.8
111.08080	7.3
113.09653	7.9
116.07254	0.7
117.07009	3.4
119.04928	1.9
119.08591	33.0
121.10192	5.6
123.04436	2.3
123.08053	4.2
131.08575	1.5
133.02867	2.0
133.06493	0.9
133.10132	19.8
135.11708	7.7
137.09618	2.5
142.66220	0.8
142.94214	1.0
147.04396	3.9
155.92937	0.8
159.11713	2.0
161.05977	1.6
161.11990	1.6
161.13254	17.0
179.03375	7.1
179.06511	4.0
179.08452	1.4
179.10631	1.5
179.14320	52.4
180.14685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	2.7
55.05516	17.6
57.03440	6.0
57.07080	10.4
58.99584	1.2
59.04993	3.1
65.03947	2.5
67.05507	35.4
69.03439	5.5
69.07069	24.6
71.04993	2.7
71.08620	6.3
71.48107	1.5
74.54654	1.2
76.02223	4.1
77.03934	1.6
78.50260	1.1
79.05497	8.2
81.07060	27.7
83.04497	2.1
83.04987	41.9
83.08613	6.1
85.06573	5.6
91.05483	14.7
93.07049	19.7
95.04974	21.5
95.08610	100.0
97.06558	1.5
97.10166	2.8
105.07027	17.4
107.04932	1.5
107.08604	25.3
109.02827	1.3
109.06522	21.7
109.10160	45.1
111.08070	3.4
117.07040	2.3
119.04922	3.8
119.08583	28.7
121.06508	3.3
121.10144	29.6
123.04427	3.6
123.08070	45.5
123.11714	6.4
124.08842	1.7
131.08565	2.4
133.02864	2.9
133.06485	3.2
133.10139	13.8
135.11696	13.3
137.05991	7.1
137.09618	24.8
137.13257	6.5
143.08566	1.3
147.04427	6.3
151.03868	1.7
151.07588	1.9
151.11150	2.6
151.13664	2.2
151.14816	30.0
161.05962	2.3
161.09622	6.3
161.13258	22.8
161.14587	1.2
179.03360	11.3
179.04848	1.7
179.06993	4.1
179.10791	7.6
179.14313	89.8
180.14595	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	179.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01866	1.4
55.05511	9.8
57.03440	1.1
57.07074	1.6
59.04976	0.3
65.03938	2.8
67.05505	74.3
68.05824	0.7
69.03423	0.6
69.07059	5.5
70.83988	0.7
70.84332	0.4
71.05003	0.6
71.08649	0.5
76.17545	0.4
79.05490	14.3
80.05047	0.4
81.07054	100.0
82.07397	0.9
83.04993	1.3
83.08619	3.7
85.06538	1.0
91.05479	6.0
92.37244	0.3
93.07041	6.7
94.06565	1.1
95.04966	1.7
95.08606	64.7
96.08923	0.9
97.06529	2.4
97.10162	2.4
99.08083	1.7
103.05497	0.6
105.07024	5.6
107.08602	3.3
109.06499	1.2
109.10155	24.5
111.08074	1.0
118.06550	0.5
119.04941	2.1
119.08580	6.0
121.06456	0.6
121.10129	2.6
122.10477	0.6
123.04449	2.8
123.08047	1.4
123.10847	0.9
123.11707	8.8
131.08481	0.4
133.02841	1.4
133.06479	0.9
133.10123	4.0
135.11687	3.3
136.02156	0.5
137.09578	0.9
137.13242	1.9
146.03575	0.4
147.04404	2.7
151.03859	0.9
151.07541	0.6
151.11154	0.4
161.05963	1.6
161.09613	0.8
161.13254	10.3
164.03992	0.6
179.03366	5.4
179.06477	3.6
179.08487	0.6
179.10625	1.7
179.11971	0.6
179.14305	12.7
179.17963	3.3
180.08081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03934	0.9
53.73710	0.4
55.01866	0.6
55.05507	0.5
56.96550	1.3
57.03425	0.7
57.07064	0.5
57.45025	0.4
57.96563	0.4
63.02380	0.7
65.03950	1.9
67.05507	10.3
69.03420	0.6
69.07059	1.7
70.06583	0.4
70.86501	0.7
79.05498	5.9
81.03397	0.4
81.07045	1.4
83.04972	1.5
84.08148	0.9
85.02917	0.6
89.03919	17.5
89.10986	0.4
91.05488	4.4
93.03368	0.6
93.07046	2.8
95.04971	11.2
95.08602	0.6
97.02888	0.6
97.06523	1.0
98.97584	9.2
103.05467	1.3
105.04527	0.8
105.07030	0.8
107.04961	7.5
107.08578	1.2
109.06525	0.6
109.10128	0.9
111.04421	1.3
116.98644	4.6
117.03386	21.7
119.04906	1.3
119.08542	0.5
121.02855	0.8
121.06519	2.0
121.10132	1.5
123.04417	0.5
123.08062	0.6
125.06006	2.1
134.99654	0.9
135.04422	37.4
135.08044	0.9
135.11707	1.2
136.04805	0.6
136.07570	1.6
137.06006	3.4
139.03868	1.1
145.02856	25.1
145.03870	1.0
145.10130	0.8
146.03262	0.4
149.02356	0.4
150.35112	0.4
153.05505	0.6
154.08618	0.9
163.03909	100.0
163.11143	3.6
164.04276	1.8
164.07089	1.1
181.04948	2.8
181.06499	1.0
181.08557	2.8
181.12128	1.8
181.16992	1.1
182.08113	1.5
183.74236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.01872	1.2
55.05501	3.2
56.24361	0.7
57.07077	21.3
59.05002	3.9
65.46692	0.7
67.05505	1.8
69.03458	0.9
69.07074	4.6
70.18168	2.8
79.05496	9.4
81.03410	4.1
81.07049	4.0
83.04978	47.8
91.05460	3.6
93.07050	7.6
95.04966	14.3
95.08614	1.2
97.06532	22.3
98.97581	11.7
105.07034	6.8
106.32080	0.9
107.04945	2.5
107.08592	10.5
109.06522	1.7
113.78888	0.8
116.98616	6.0
117.06989	1.8
119.08588	3.8
121.06482	2.9
121.10147	13.7
125.05997	59.0
126.06347	1.0
130.07791	2.7
133.10074	0.8
134.99646	1.8
135.04460	0.9
135.08095	1.3
135.11674	5.2
140.00192	1.6
145.10123	10.5
147.04350	0.8
151.52484	0.8
163.11176	100.0
164.11562	1.2
166.07762	1.4
170.24158	0.9
181.06505	1.2
181.10175	3.2
181.12234	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03936	1.0
55.01867	0.9
55.05496	2.8
55.28113	0.7
56.27863	0.7
57.07080	21.8
59.04996	1.8
59.30212	0.7
67.05508	1.2
69.03423	2.0
69.07056	2.8
70.61298	1.2
70.61644	1.7
77.03918	0.8
79.05122	0.8
79.05499	7.9
81.03419	6.1
81.07068	4.2
83.04986	43.2
85.06483	0.9
91.05461	4.0
93.07051	6.1
93.24599	0.9
95.04969	13.6
97.05928	1.6
97.06537	23.5
98.97559	2.7
99.05593	3.8
104.45316	0.8
105.07072	4.5
107.04943	1.9
107.08592	9.4
109.06528	0.8
116.97816	0.7
116.98629	2.2
117.06989	1.7
118.63765	0.9
119.08604	4.4
121.06493	3.0
121.10149	12.1
123.05489	0.8
123.08065	1.1
125.06001	59.8
126.06401	1.2
130.07785	1.6
135.04358	1.3
135.11678	5.5
138.10291	1.0
145.10123	10.9
163.03894	1.4
163.11189	100.0
164.11577	2.2
177.18909	0.8
181.10591	1.8
181.12238	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.52187	0.4
53.03932	1.7
55.01868	1.0
55.05510	2.4
56.96549	1.8
57.03425	1.0
57.07074	3.2
59.04999	3.0
67.05506	4.0
69.03439	2.2
69.07070	4.4
69.25399	3.8
71.05009	0.4
71.95265	0.5
73.02883	0.7
77.03920	0.7
79.05076	0.6
79.05494	7.7
81.07062	8.7
83.04990	3.3
83.08612	0.7
89.51228	0.4
90.68603	0.4
91.05477	4.8
93.07047	21.2
95.04979	2.5
95.08607	15.9
97.06519	2.8
98.20707	0.8
98.97588	21.4
103.05475	8.2
105.07042	3.5
107.04958	2.0
107.08598	33.8
109.06496	1.0
109.10149	2.6
111.04448	1.6
111.08064	1.8
116.97338	0.6
116.98624	10.0
117.07030	1.1
119.08588	4.6
121.06523	5.9
121.10145	19.4
122.10437	0.5
123.08077	4.3
123.61480	0.4
125.06008	5.2
127.41998	0.4
130.07767	1.1
133.07747	0.4
134.99696	2.3
135.04388	0.5
135.08066	1.1
135.11696	45.4
136.12000	1.0
137.05984	0.5
137.09601	0.9
137.13255	1.3
139.07549	8.2
140.00201	1.1
141.07016	0.9
145.10127	11.7
146.10397	0.7
152.06252	0.4
153.07008	1.4
153.12756	2.2
158.01288	0.6
163.03932	1.4
163.11185	34.3
165.07013	4.8
166.07787	8.0
179.08592	1.0
181.04944	1.5
181.06497	2.4
181.10220	5.4
181.12238	100.0
182.08177	0.5
182.12617	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.26323	0.7
53.03936	3.0
55.01867	2.6
55.05511	11.5
56.96562	9.3
57.03439	6.7
57.07072	3.4
58.02964	1.9
59.56288	0.8
61.69551	0.8
62.46959	0.9
65.03928	1.9
67.05506	29.3
69.03429	1.9
69.07068	11.6
69.32753	6.4
71.01343	7.7
71.04992	3.2
71.95267	2.9
79.05494	31.5
81.03429	11.2
81.07056	20.1
83.04980	21.0
83.08613	3.6
85.06548	1.3
91.05478	14.6
93.07043	32.6
95.04972	6.7
95.08615	5.7
97.06532	10.8
97.10165	1.6
98.97585	100.0
99.08116	1.0
99.97913	1.1
103.05466	1.6
105.07030	4.5
107.04962	3.9
107.08606	19.2
109.06489	1.3
109.10195	4.4
111.08063	1.8
112.55789	0.9
116.97299	1.5
116.98621	54.5
117.07000	5.6
119.08579	8.2
121.06542	4.5
121.10134	15.3
122.06812	1.0
123.11681	1.3
125.05999	9.2
130.07835	1.3
133.10127	1.8
134.99655	17.5
135.04425	2.3
135.08064	3.0
135.11693	23.3
137.09607	2.6
138.12794	1.9
139.07591	1.4
140.00195	5.5
145.10106	7.5
153.07014	1.8
153.12743	1.9
158.01259	4.6
163.03946	2.6
163.11185	19.7
163.65260	0.9
165.07031	1.5
166.07837	2.3
181.04929	2.5
181.06468	4.6
181.10022	1.8
181.12213	11.7
182.08154	1.3
182.15364	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03938	2.6
55.01862	2.7
55.05507	10.6
56.96566	10.9
57.03431	4.0
57.07080	2.2
59.04984	1.5
60.04528	0.8
65.03936	1.4
67.05506	26.2
67.26241	1.0
69.03419	1.2
69.07062	7.3
69.90814	4.1
71.01356	7.0
71.04997	1.7
71.95258	3.8
79.05492	30.6
81.03422	10.7
81.07056	18.0
83.04504	1.1
83.04987	17.5
83.08623	3.4
85.02887	1.2
85.06567	1.1
89.03906	1.0
89.85226	0.8
91.05484	16.1
93.07048	29.4
95.04971	6.4
95.08608	7.2
97.06537	8.0
97.10156	1.9
98.97587	100.0
99.08083	1.6
105.07029	3.5
107.04969	4.4
107.08593	15.2
108.26276	0.9
109.06489	1.5
109.10157	2.2
111.08088	1.6
116.97249	2.7
116.98625	51.6
117.07003	4.5
119.08570	6.3
121.06481	4.5
121.10140	15.5
125.05997	6.5
130.07770	1.3
133.10179	1.9
134.99654	17.7
135.04362	1.5
135.08057	2.2
135.11697	18.5
137.09621	2.7
139.03864	0.8
140.00146	6.4
145.10129	8.4
152.06253	1.0
153.00729	1.8
153.07005	0.9
158.01250	3.7
163.03885	2.4
163.11177	17.7
165.06979	1.3
166.07837	1.1
181.04910	2.3
181.06483	3.0
181.08708	1.0
181.10020	2.0
181.12233	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03931	1.6
55.05496	3.3
57.03415	1.7
57.07073	26.4
57.07504	1.2
59.04986	3.2
64.65075	1.0
67.05490	2.7
69.03412	1.4
69.07068	4.9
69.72498	4.9
79.05493	11.4
81.03416	7.8
81.07053	5.7
83.04977	54.8
91.05479	4.3
93.07042	8.9
95.04962	19.2
95.08601	1.5
97.06528	31.2
98.20710	1.1
98.97574	18.7
102.16186	0.9
105.07029	5.3
107.04972	2.3
107.08595	12.4
108.96568	1.0
109.06508	1.9
116.98611	8.4
117.07047	2.8
119.08557	4.8
121.06516	3.9
121.10129	14.4
125.05991	67.5
126.06335	1.5
129.36212	1.0
130.07774	2.5
134.99625	3.1
135.11668	6.4
145.10124	13.3
163.11176	100.0
164.11542	2.2
165.06964	1.2
166.07764	3.6
181.10205	3.7
181.12212	29.6
194.75111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.93059	1.1
53.03938	3.7
55.01873	5.7
55.05504	6.3
57.07079	15.5
59.04995	2.9
65.03938	3.0
67.05507	7.2
69.03423	4.1
69.07069	8.0
71.04992	2.5
71.05594	3.8
72.54926	1.2
79.05502	15.6
81.02984	1.1
81.03418	5.7
81.07056	11.5
82.04194	1.3
83.04984	44.3
83.08635	1.8
85.02895	2.9
85.06543	3.3
91.05481	10.8
93.07053	21.6
95.04974	24.4
95.08599	5.0
97.02889	1.6
97.06534	26.6
97.47944	1.1
98.97590	21.9
103.05457	2.5
105.07038	9.8
107.04969	6.2
107.08599	20.5
108.08134	1.3
109.06513	1.9
109.10155	2.1
111.04460	1.6
111.08081	2.3
113.07994	1.2
116.98635	10.9
117.07027	2.4
119.08569	6.5
121.02882	2.5
121.06508	10.2
121.10149	29.4
123.04436	1.5
123.08068	5.6
125.05999	58.7
134.99634	3.0
135.04442	2.6
135.08086	4.8
135.11703	9.8
135.21996	1.3
136.07568	3.6
137.02335	2.9
137.05978	5.3
139.07558	2.3
139.11194	3.6
140.00220	1.3
145.10138	16.5
152.06342	1.4
153.07317	1.3
153.09023	2.2
154.08641	1.5
162.87291	1.4
163.03876	4.5
163.11188	100.0
164.07104	2.9
164.11531	2.2
166.06261	1.5
181.04968	9.3
181.06520	3.5
181.08566	3.1
181.12225	32.3
181.15804	1.7
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
52.58799	1.4
53.03945	5.9
54.58004	1.4
55.01876	7.9
55.05513	12.3
56.96563	4.0
57.03437	3.1
57.07073	6.5
59.04993	3.6
65.03942	6.5
67.05505	17.5
69.03432	34.7
69.07070	16.8
71.01359	1.5
71.05012	9.0
71.07025	2.6
71.07392	2.6
71.08613	1.5
77.03947	2.0
79.05495	33.4
81.03436	3.1
81.07060	22.0
83.04984	20.4
83.08618	4.6
85.02895	2.7
85.06529	3.7
86.75236	1.8
89.03914	2.9
91.05484	33.8
93.03397	2.4
93.07047	56.4
94.07393	2.0
95.04974	63.6
95.08599	14.0
97.02891	3.3
97.06528	31.7
98.97583	41.9
99.04452	2.0
103.05444	8.4
105.04526	2.4
105.07038	28.2
106.04202	2.9
107.04954	16.9
107.08599	50.9
108.08120	3.3
109.06515	8.4
109.10162	12.7
111.04432	2.8
111.08076	6.5
116.98627	22.8
117.03391	2.4
117.07030	16.1
119.04955	2.4
119.08575	15.0
121.06505	24.9
121.10148	69.8
122.07275	5.8
123.04449	2.9
123.08081	11.7
123.11700	4.2
125.05986	18.1
125.09654	2.1
129.06992	2.3
130.07794	11.4
134.99677	6.4
135.04431	9.5
135.08041	10.9
135.11700	35.7
135.12726	2.4
136.07607	14.7
137.06001	15.4
137.09618	25.6
139.07571	5.8
139.11215	3.7
140.00113	1.7
144.86034	1.6
145.02884	2.3
145.10130	63.3
149.05948	8.3
152.06256	4.3
153.06978	4.7
153.09128	2.3
163.03935	11.7
163.07536	4.3
163.11186	100.0
163.14833	2.8
164.07050	7.3
166.06337	1.8
166.07729	2.7
181.04965	9.4
181.06497	20.2
181.08641	10.9
181.10107	4.3
181.12236	27.7
181.15857	3.6
182.04514	4.0
182.08310	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	4.5
55.01868	4.3
55.05520	10.2
55.28907	1.3
56.05012	1.1
57.03431	3.7
57.07077	22.2
59.04994	3.9
65.03940	4.2
67.05495	6.1
69.03436	3.2
69.07063	9.9
71.01314	1.4
71.05000	3.6
71.09461	1.9
79.05498	18.5
81.03427	7.2
81.07066	16.1
83.04980	47.5
83.08630	5.3
85.06561	3.5
89.03933	2.0
91.05482	21.5
91.06026	1.6
93.03380	1.8
93.07045	32.8
94.73357	1.1
95.04969	22.4
95.08597	6.1
97.06534	30.4
98.97590	21.1
103.05479	6.9
105.04511	1.7
105.07029	11.3
106.04166	2.1
107.04963	6.3
107.08596	24.0
108.08129	2.3
109.06531	4.0
109.10143	2.4
111.04440	1.4
111.08099	2.7
113.06026	1.0
116.98629	10.3
117.03393	2.3
117.07022	6.0
119.04939	1.7
119.08585	5.4
121.02929	1.7
121.06510	19.4
121.10150	38.5
122.06075	1.8
123.04459	1.6
123.08067	5.0
125.05995	65.6
130.07788	3.5
133.10088	1.3
134.99623	2.3
135.04439	4.4
135.08072	5.2
135.11688	11.8
136.07584	38.8
137.05957	4.6
137.09656	2.1
139.07562	2.5
139.11186	4.7
145.02853	1.3
145.10132	14.6
148.08823	2.5
149.06017	9.6
152.06229	1.7
153.05280	1.6
153.07193	1.2
153.09164	1.5
163.03923	6.9
163.11177	100.0
164.07077	21.9
164.11606	1.8
181.04942	6.2
181.06554	6.0
181.08707	6.7
181.10013	1.7
181.10463	2.0
181.12244	34.0
181.15817	1.5
182.08194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03940	1.1
55.01864	2.0
55.05500	1.0
56.96568	31.9
57.03446	5.7
58.32747	0.5
58.99841	0.5
59.05001	1.2
60.08159	1.0
61.02930	2.8
63.66559	0.5
64.16711	0.6
67.05496	1.0
68.98298	0.6
69.03093	0.8
69.03434	7.3
70.98127	3.0
70.99851	1.5
71.01360	0.9
71.04983	1.4
71.47359	0.7
71.95250	1.3
73.02919	5.8
73.06570	0.7
74.00259	0.6
74.97609	0.7
78.95263	1.2
79.05470	0.6
80.68027	0.5
81.03426	3.9
82.01447	1.7
83.05009	1.1
84.08110	0.7
84.96038	8.8
85.02906	10.2
85.06574	0.5
86.03681	0.6
86.09704	0.7
86.99274	0.6
87.01015	0.5
87.04456	1.7
88.99165	0.5
89.00828	1.0
89.02606	0.7
91.05484	34.6
93.07079	0.6
95.04975	13.3
96.01544	1.4
97.02894	10.4
97.96812	1.5
98.01331	1.6
98.03137	2.4
98.97592	29.5
99.04457	2.5
99.97915	3.4
100.02473	3.1
101.00844	3.6
102.00908	0.6
102.01564	0.7
102.96974	0.6
103.03945	0.9
103.05473	1.2
107.04966	2.4
108.05289	0.9
108.08086	1.0
109.02888	2.3
109.06501	1.3
110.01286	3.5
110.03105	0.7
110.97575	6.4
111.02061	0.6
111.02901	0.6
112.99120	3.5
113.00859	2.6
115.00700	2.2
115.02416	1.9
116.01277	0.7
116.98624	8.8
117.03889	1.0
117.98969	1.5
118.06523	1.9
119.01851	6.0
119.04948	39.8
121.06528	1.3
122.01252	0.8
122.97571	0.9
123.04436	55.3
124.04774	0.6
124.99112	2.1
125.03613	1.0
126.98796	1.8
127.00698	0.6
127.03924	2.2
128.02309	2.2
128.98601	3.7
129.02245	3.0
129.03979	1.1
131.00198	1.5
131.01881	3.6
131.03636	0.9
133.01706	1.5
133.03459	2.3
134.99681	1.9
135.02055	0.6
136.07584	100.0
137.01845	0.6
137.04527	0.6
140.02333	1.7
140.95204	1.0
140.98618	6.1
141.02240	1.8
141.03964	1.1
143.00195	3.1
143.01883	2.0
144.99809	3.1
145.01665	0.7
145.03439	0.8
145.05009	0.9
146.02336	1.0
146.99615	1.3
147.03255	2.2
147.04381	17.0
149.02921	0.9
152.04071	0.7
152.98579	0.6
153.03134	0.9
154.03473	1.1
155.00211	1.6
155.01845	1.0
157.01781	0.9
157.03496	0.7
158.96223	0.7
158.99672	16.0
159.01292	1.4
159.03259	5.9
159.05049	2.0
161.01282	1.0
161.02956	1.9
161.04660	6.9
161.05865	0.8
162.05568	0.7
163.96788	0.9
164.05731	6.5
164.07143	1.5
164.98631	0.7
165.05484	25.1
168.01471	1.4
168.99234	0.7
170.05135	7.4
170.99683	2.0
173.01280	1.4
173.02922	0.6
177.00731	8.9
177.02469	3.8
177.04323	5.6
177.05977	0.9
182.04559	0.6
182.06714	1.2
182.08139	6.9
182.99657	1.9
186.47031	0.5
187.00273	1.9
189.00710	1.4
195.03636	0.6
195.05411	1.3
195.07118	0.7
200.04126	0.5
201.00671	3.9
201.03987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
55.01867	0.4
56.96576	0.4
60.04531	0.5
65.03944	8.2
67.05508	94.4
68.05843	0.7
69.03434	1.0
69.07071	5.9
69.79219	0.4
79.05494	0.9
80.05025	0.7
81.07038	0.9
86.02424	2.2
86.06086	0.8
88.95932	0.4
90.42044	0.4
91.05492	1.4
95.04973	100.0
96.05296	0.8
97.06536	0.6
98.97614	0.5
105.03333	0.4
108.08110	1.6
109.06519	0.6
110.06051	1.7
111.36629	0.4
113.06004	1.6
119.04954	0.4
122.06070	0.5
123.04463	0.9
126.09102	0.4
136.07571	6.3
138.06375	0.4
143.30191	0.4
147.04308	0.5
154.08640	7.0
164.04214	0.5
164.07048	2.1
164.08333	1.0
165.05490	0.5
182.04619	0.8
182.08127	16.3
200.91063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03942	1.5
64.90668	0.2
65.03963	0.5
67.05511	0.5
67.22973	0.2
69.03395	0.2
69.41215	1.0
69.41626	0.4
77.03937	0.8
79.05519	1.0
80.05010	0.4
81.07063	0.5
91.05481	4.6
91.06026	0.3
93.05785	0.9
93.07054	3.3
93.58871	0.2
94.06571	0.4
95.04972	1.4
98.20812	0.4
104.21525	0.2
105.04531	0.8
108.04458	0.9
108.08129	2.5
118.06548	0.2
122.06029	2.0
122.10474	0.3
123.04415	0.2
126.05508	1.4
136.07579	100.0
137.07906	1.1
137.47083	0.2
140.07053	2.2
158.78915	0.2
164.07068	49.6
165.07477	1.0
182.08141	0.6
202.83122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01880	0.3
55.05524	0.5
65.03958	0.4
67.01917	0.3
67.05505	0.9
69.03427	0.4
69.07063	0.3
69.18838	0.7
69.19254	2.0
70.03809	0.2
77.03918	0.6
79.05508	0.9
80.05030	0.5
81.03439	0.4
81.07051	0.7
83.04974	0.3
91.05487	5.2
92.05817	0.4
93.05799	0.9
93.07051	3.4
93.58443	0.3
94.06573	0.9
94.07349	0.3
95.04985	2.3
95.08601	0.4
100.11197	0.3
104.05794	0.5
105.04536	0.6
108.04500	0.7
108.05259	0.3
108.08146	2.8
110.10480	0.3
116.78864	0.3
118.06510	0.3
119.08520	0.3
122.06024	2.2
122.06836	0.5
122.10509	0.6
123.04428	0.5
126.05533	1.9
136.07585	100.0
137.07948	0.9
140.07074	2.7
141.01842	0.4
150.06374	0.4
154.08591	0.4
164.07074	50.8
165.07349	0.6
182.04491	0.6
182.08130	2.0
182.15462	0.4
182.19054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.37442	1.5
53.03934	4.4
55.05497	5.5
58.02956	3.2
65.03934	3.8
67.05508	20.5
69.07051	5.4
70.02960	1.7
70.06601	1.5
70.73032	4.5
78.90817	1.3
79.05498	30.2
80.05036	1.4
81.06602	2.8
81.07059	45.1
82.06572	2.1
83.08621	1.5
84.08137	2.3
86.02444	6.7
91.05490	6.5
92.04998	2.6
93.05807	7.2
94.06573	1.6
95.04964	5.1
95.94845	1.5
96.04487	2.8
97.05256	1.6
97.06553	8.6
98.06041	4.4
98.09696	3.0
106.06544	2.5
107.07328	4.8
108.04474	2.4
108.08119	63.4
109.06525	6.7
110.06043	5.0
118.06518	2.4
121.05241	2.7
125.06004	33.7
126.05532	30.7
126.09170	21.9
134.06042	2.0
134.50072	1.6
136.07581	100.0
137.07944	1.4
138.05524	2.6
138.65718	1.3
152.07100	1.6
153.05447	1.9
153.07863	2.9
154.08638	26.8
155.82011	1.3
155.98264	1.4
164.07074	91.6
182.08128	94.3
183.08391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03949	1.8
55.01880	0.3
55.05524	0.5
65.03958	0.4
67.01917	0.3
67.05505	0.9
69.03427	0.4
69.07063	0.3
69.18838	0.7
69.19254	2.0
70.03809	0.2
77.03918	0.6
79.05508	0.9
80.05030	0.5
81.03439	0.4
81.07051	0.7
83.04974	0.3
91.05487	5.2
92.05817	0.4
93.05799	0.9
93.07051	3.4
93.58443	0.3
94.06573	0.9
94.07349	0.3
95.04985	2.3
95.08601	0.4
100.11197	0.3
104.05794	0.5
105.04536	0.6
108.04500	0.7
108.05259	0.3
108.08146	2.8
110.10480	0.3
116.78864	0.3
118.06510	0.3
119.08520	0.3
122.06024	2.2
122.06836	0.5
122.10509	0.6
123.04428	0.5
126.05533	1.9
136.07585	100.0
137.07948	0.9
140.07074	2.7
141.01842	0.4
150.06374	0.4
154.08591	0.4
164.07074	50.8
165.07349	0.6
182.04491	0.6
182.08130	2.0
182.15462	0.4
182.19054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05516	7.0
56.99881	1.2
57.03424	2.3
57.07063	4.9
57.54808	1.6
58.02964	35.9
67.05510	21.9
69.07072	70.3
69.71900	1.3
70.06562	2.5
70.43964	3.3
72.08166	2.4
79.05491	7.7
80.05813	2.1
81.03419	2.1
81.07050	21.1
82.98682	1.5
83.04964	2.6
83.08627	11.2
84.08157	10.9
86.06097	1.4
91.05477	5.4
93.07047	11.9
94.07377	2.9
95.04946	3.6
95.08611	8.7
97.06509	4.2
98.06062	1.8
98.09686	2.1
98.21529	2.0
98.97567	4.1
100.07622	5.9
105.03388	2.0
105.07045	13.1
107.08601	24.3
109.06480	1.8
109.10161	52.0
110.10485	2.2
112.07613	3.2
114.09187	16.9
119.08568	2.2
121.10168	2.5
123.11718	8.2
126.09170	14.9
128.10831	1.6
133.10139	27.3
135.11705	21.5
136.07587	1.7
136.12000	2.1
138.11847	2.1
138.12796	21.1
140.10684	1.6
147.11655	3.9
151.10168	1.8
151.11160	9.6
153.12769	12.6
154.15848	1.8
159.67668	1.3
164.11557	1.9
164.14366	3.3
164.84517	1.4
165.12775	2.1
170.94142	1.3
182.04585	1.5
182.15408	100.0
183.11655	1.5
183.15749	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33361	0.5
53.93612	0.4
69.50172	3.7
72.99413	0.5
82.99852	9.4
84.68218	0.6
96.38536	0.5
98.21484	1.1
100.02488	0.6
101.00890	64.8
102.00971	1.9
103.73167	0.5
111.00455	0.8
115.25271	0.6
119.01930	100.0
120.02020	2.5
124.02448	4.8
128.25613	0.6
128.76416	0.5
131.01913	0.6
135.08742	0.5
137.02962	12.9
142.03511	22.8
143.01881	1.3
143.03670	0.6
160.04558	3.0
161.02974	12.1
164.31422	0.5
179.04025	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42233	0.5
55.01886	0.5
56.96570	4.7
57.03423	0.8
60.95852	0.7
61.02921	0.9
62.84498	0.4
63.62812	0.4
63.66661	0.5
69.03420	1.6
69.15990	0.4
70.06595	0.5
70.21253	2.1
70.98132	0.9
71.95248	0.5
72.12050	0.4
73.02921	1.5
78.83518	0.4
81.03402	0.7
82.99843	7.3
84.04468	0.4
84.08128	0.6
84.96072	0.6
85.02913	1.9
86.09702	0.8
92.87363	0.5
97.02892	1.8
98.97585	6.2
100.02502	0.7
101.00885	63.7
101.95042	1.7
102.00979	1.7
102.96864	0.7
107.04962	6.0
108.05287	0.6
109.02297	0.6
109.49219	0.5
110.97565	1.1
112.01241	0.5
113.00883	1.0
115.02481	0.7
116.98633	1.8
119.01924	100.0
120.02003	2.4
124.02442	3.5
127.03896	0.6
128.98579	0.9
131.01953	0.9
133.01643	0.9
137.02956	14.0
138.03116	0.7
142.03499	21.7
143.00157	1.2
143.01897	2.8
143.03609	0.9
144.02051	1.0
155.01883	0.5
160.04558	3.2
161.01512	0.8
161.02962	15.0
161.04178	0.6
161.06607	1.8
162.03149	0.6
174.03133	0.9
179.04015	9.9
180.04109	0.7
184.04509	1.6
185.02940	0.7
190.89352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.54048	0.3
53.95296	0.3
56.05043	1.2
58.06603	0.8
59.07391	0.5
60.08166	19.9
60.49240	0.3
63.85317	0.3
69.46210	2.3
70.06606	0.4
71.07376	12.7
71.95273	0.6
73.96537	0.4
86.09708	100.0
87.10039	0.6
98.98468	20.0
101.95029	8.5
104.10735	5.0
119.96098	2.6
125.00005	82.0
129.55954	0.3
137.97156	0.5
140.14104	0.3
142.97714	0.5
143.01071	0.5
145.97798	0.3
160.98753	0.4
174.97067	0.4
184.07346	98.0
185.07645	0.8
185.13338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.03941	0.4
56.05038	0.9
58.06594	1.1
60.08164	18.5
61.60140	0.4
69.83470	2.3
70.06593	0.7
71.07375	11.6
71.95277	0.8
77.60315	0.5
86.09708	100.0
86.69199	0.4
87.10056	1.0
98.21444	0.7
98.98469	18.9
101.95033	16.6
104.10747	4.5
107.04971	0.8
119.96083	4.8
125.00007	82.4
126.00381	0.4
129.07069	0.9
137.97136	1.7
138.09146	0.5
142.97665	0.8
160.98746	1.2
184.07346	91.9
185.07655	0.9
185.13034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	Levonordefrin
Peak:m/z	Relative Intensity
53.03939	0.6
55.01876	2.6
55.05514	0.6
56.45833	0.5
60.52322	0.4
61.01333	0.4
61.37883	0.5
67.05503	3.2
69.07069	1.7
71.48290	0.6
81.07080	0.8
86.09682	0.8
91.05457	0.8
93.07060	3.6
95.04976	0.8
95.07354	2.7
95.08604	18.1
96.04459	0.9
96.08955	0.8
101.95033	1.2
108.08149	0.7
110.06056	5.3
110.09681	12.2
119.40616	0.5
120.08115	5.1
121.06511	2.5
123.06776	0.7
123.08050	0.8
124.07591	4.1
129.07016	0.6
138.09138	89.1
139.09450	1.7
148.07503	1.2
149.06010	1.3
155.08611	0.6
166.08636	100.0
167.08945	1.9
180.66156	0.6
184.09738	3.5
185.05887	0.6
185.13127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05040	0.3
69.07067	0.4
69.99168	0.8
70.06595	100.0
71.06925	0.9
72.08195	0.2
79.78698	0.1
81.03394	0.2
81.07050	0.3
84.04512	0.3
84.08144	0.2
85.02934	0.3
86.09705	0.2
89.68707	0.2
90.90021	0.2
92.36881	0.2
98.20746	0.2
102.08249	0.1
103.70057	0.2
105.07003	0.2
115.05467	1.1
126.05537	0.2
131.04904	1.2
132.37634	0.2
138.05682	0.2
140.07167	0.2
141.05608	0.2
143.04950	0.7
163.01881	0.5
168.13850	2.9
181.02919	0.2
186.07674	0.4
186.14940	1.1
187.03928	3.2
187.11362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03930	1.1
55.01853	0.8
55.05478	1.4
56.05000	0.6
57.03406	1.8
58.06582	0.6
61.02929	0.6
64.38474	0.4
67.05472	1.6
69.03433	4.8
69.07069	3.1
70.06548	0.5
71.04960	1.4
71.48109	0.5
75.12749	0.4
79.05484	1.1
80.43969	0.4
81.03419	8.6
81.07067	2.5
83.08595	0.7
84.04487	0.6
84.08092	0.6
85.02919	3.1
85.06532	0.7
86.06037	0.6
86.09731	1.0
88.02187	1.6
91.05486	14.4
93.07024	1.6
95.04949	2.4
95.08577	1.0
97.02876	0.9
97.06502	0.7
99.04449	2.7
101.07114	1.0
103.05473	3.3
105.03402	0.7
105.07013	2.2
107.08602	0.5
109.02847	1.4
109.06496	0.6
109.10181	2.1
112.31487	0.4
115.05458	22.2
116.06250	15.7
117.07005	1.4
119.04968	0.9
119.08564	1.4
123.11684	0.9
127.03905	1.8
127.05415	2.5
127.07609	0.6
127.11247	0.6
128.06227	17.1
129.07018	18.6
130.07800	0.8
131.04938	30.0
131.08566	12.1
133.10155	1.1
141.07036	2.1
142.12289	0.7
143.04930	9.5
143.08585	1.2
144.05716	34.1
144.09340	0.9
145.06525	3.3
145.10133	7.2
147.08086	0.7
151.11244	0.6
154.07898	0.4
155.04916	5.9
155.06076	5.3
156.05705	9.9
157.06453	1.2
157.07631	1.7
157.10121	0.9
158.07335	0.8
159.04530	2.5
159.08066	84.9
159.11647	3.4
160.08421	1.6
169.06538	0.8
169.10136	0.6
169.12338	1.1
171.04424	1.1
172.05199	8.8
172.08839	1.6
172.12524	0.8
173.00827	1.0
187.03941	51.4
187.07547	100.0
187.14812	6.5
188.04236	1.3
188.08005	2.5
200.97783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.87270	0.4
53.03939	0.6
57.00941	0.4
65.03911	0.4
69.03416	0.9
69.49648	0.4
70.07603	0.9
72.80587	0.4
81.03407	0.6
89.03910	0.7
91.05479	11.8
93.00494	0.4
95.04980	0.5
98.21436	0.5
103.05467	3.1
105.03385	0.5
105.06994	0.6
109.02860	0.5
115.05459	35.3
116.06251	15.7
117.07061	0.7
119.04893	0.6
127.05433	3.5
128.06223	16.1
129.07008	18.5
130.07742	0.5
131.04932	48.8
131.08563	10.3
132.05278	1.2
141.07011	1.3
143.03786	0.9
143.04927	18.7
144.05708	31.2
145.06505	2.2
145.10133	2.7
147.07997	0.7
155.04903	2.8
155.06059	6.4
156.05699	9.6
157.06461	1.1
157.07617	0.8
159.04475	4.0
159.08060	78.5
160.08380	1.5
166.32501	0.5
171.04420	1.3
172.05202	9.0
185.07153	0.7
187.03920	100.0
187.07535	90.6
187.11000	2.5
187.14868	2.1
188.04283	2.4
188.07878	2.1
207.18130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
52.60733	0.7
53.03942	4.4
55.01880	3.7
55.05503	2.5
57.03415	0.8
65.03948	1.6
67.05507	5.9
69.03439	8.4
70.06560	0.8
70.66024	1.9
77.03914	1.0
79.05493	10.3
79.96831	0.6
81.03423	10.3
81.07067	3.1
83.08611	1.3
84.04508	0.8
84.08139	0.8
85.02907	4.1
85.06555	0.7
85.74786	0.6
88.02219	3.4
91.05485	19.0
93.07047	15.1
95.04979	7.2
95.08614	0.9
97.02907	1.2
98.21461	0.7
99.04456	1.8
103.05476	2.8
105.03374	1.2
105.04526	1.0
105.07035	23.7
107.04969	11.5
107.08574	1.0
109.02861	2.2
109.06516	1.1
115.05461	37.2
116.06292	3.9
117.07019	19.7
119.04871	0.8
119.08588	9.3
121.06485	4.2
127.03926	2.4
128.06241	6.7
129.07016	17.5
130.06784	0.9
130.07784	8.2
131.04933	43.0
131.08571	36.7
132.05710	1.3
132.08102	3.6
132.08929	0.7
133.06488	2.1
133.10132	0.9
141.06995	12.7
142.06601	0.8
142.07755	2.8
143.04933	17.2
143.08578	9.2
144.05736	11.2
144.08147	1.8
144.09329	14.1
145.06502	23.7
145.10136	35.0
146.07262	2.6
147.08072	1.4
148.64101	0.6
153.07018	2.2
154.07791	11.2
155.06073	1.4
156.05676	1.2
157.06500	4.6
157.10141	7.2
158.05991	1.1
158.07280	17.3
158.08380	0.6
158.10968	1.4
159.04456	4.2
159.07101	1.7
159.08072	44.8
159.09219	5.1
159.11693	40.6
159.13049	1.3
160.08434	0.9
160.11961	0.7
167.08556	0.8
169.06442	1.6
169.07678	2.1
169.10130	16.3
171.08069	1.2
172.05215	3.0
172.08836	22.2
172.12482	2.5
173.00848	2.3
187.03922	95.5
187.07408	25.4
187.11188	100.0
187.14781	22.0
188.04312	1.4
188.11534	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01865	2.3
55.05511	6.1
57.03443	5.0
57.07064	1.9
57.52559	0.9
61.02921	2.4
62.99743	0.9
65.03947	1.2
67.05506	23.2
69.03432	13.7
69.07074	12.6
69.47300	6.9
70.81472	0.9
71.04995	25.1
72.13481	1.0
73.06533	0.9
74.06075	0.9
79.05488	6.9
81.03420	19.0
81.07058	17.7
83.04972	2.3
83.08616	2.1
84.04492	1.6
84.08155	1.5
84.41513	1.0
85.02910	8.5
85.06549	25.7
86.06066	1.1
86.09719	4.7
87.17105	1.0
88.02207	3.0
91.05485	14.5
93.07049	7.9
95.04960	4.4
95.08607	3.9
97.02892	2.5
97.06520	2.3
99.04456	6.8
101.07175	1.3
102.95782	1.0
103.05452	1.6
105.07037	16.7
107.08598	12.6
109.02887	4.8
109.06497	3.6
109.10156	27.1
115.05458	33.6
115.07545	1.4
116.06272	2.3
117.07037	2.0
118.06541	1.3
119.08563	2.2
120.15426	1.1
123.11737	3.7
125.04927	1.0
125.09688	1.0
127.03923	3.2
127.07563	3.3
127.11188	1.6
128.06227	2.9
129.06987	5.8
130.07790	2.1
131.04935	44.7
131.08580	9.2
132.05305	1.1
133.10150	22.4
139.26106	1.0
141.06992	1.2
143.04936	14.3
143.08562	2.5
144.05713	7.8
144.09343	2.0
145.06493	1.3
145.10130	12.6
146.06021	2.4
151.11182	12.2
151.79605	1.0
157.10091	1.9
158.07277	1.1
159.04446	4.6
159.06880	1.3
159.08072	14.6
159.11693	7.5
169.06427	1.3
169.10033	1.4
169.12230	6.5
172.05147	3.7
172.08832	2.9
172.12489	2.9
187.03917	100.0
187.07498	19.9
187.11174	10.2
187.14816	9.4
188.04204	3.2
201.55730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84631	0.6
53.03940	1.4
55.05503	1.6
57.03430	0.6
59.64342	0.7
61.77517	0.5
67.05515	2.9
69.03418	2.3
69.07062	1.4
69.83609	1.9
70.06597	5.6
71.04978	0.6
71.06921	3.4
72.08158	1.4
76.11388	0.6
79.05488	1.6
81.03429	3.6
81.07068	7.9
84.04491	0.8
84.08145	2.3
85.02895	1.9
86.09693	0.8
88.02207	1.3
91.05476	2.2
93.07036	3.9
95.04955	1.5
95.08568	1.0
97.06560	1.0
98.20906	0.8
98.97571	0.9
103.05457	2.8
105.07033	2.5
105.30122	0.6
107.08601	13.0
109.02868	1.2
109.06530	4.6
109.10160	6.5
115.05460	30.1
116.05762	1.0
117.06958	0.6
123.11722	6.0
125.06015	0.8
125.09645	1.0
127.03967	1.4
127.07546	0.7
127.12344	0.6
128.02304	1.3
129.06975	0.6
131.04936	50.5
131.08612	1.0
132.05280	1.0
133.10115	2.1
142.06493	2.1
143.04933	17.0
144.05621	0.8
145.10100	0.8
149.37949	0.7
151.11194	10.5
159.04408	3.3
159.08102	1.2
170.06026	6.7
170.11804	1.0
173.00885	1.2
176.98035	0.6
187.03914	100.0
187.14427	1.1
188.04208	2.5
188.07074	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	187.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01871	1.5
55.05516	6.6
56.05035	1.2
56.96553	0.9
57.03436	6.9
60.04535	0.8
61.02929	3.1
65.03931	1.1
67.05508	8.1
69.03432	5.9
69.07072	12.2
69.83333	3.5
70.06593	7.0
71.04998	8.0
71.06918	2.6
72.08163	1.2
79.05479	2.7
81.03433	6.1
81.07063	13.1
82.12132	0.6
83.01316	0.7
83.04966	1.1
83.08607	2.9
84.04496	1.9
84.08145	2.0
85.02892	2.3
85.06561	1.3
86.09733	1.0
88.02216	1.2
91.05477	3.5
93.07046	8.7
95.04964	12.2
95.08606	2.3
97.06533	4.5
98.21558	0.7
98.97588	1.9
99.04456	9.3
99.08073	1.5
101.06031	0.9
101.07108	0.9
103.05488	1.5
105.07024	2.6
107.08581	2.0
109.02891	0.9
109.06512	5.4
109.10161	17.6
111.08091	1.7
113.05997	0.7
115.05460	34.4
116.05758	0.7
116.98564	0.7
119.08541	0.9
121.10184	0.9
123.11757	3.0
125.09616	0.9
127.03939	1.6
127.07557	8.6
127.11219	4.0
127.12119	0.9
129.07004	0.9
131.04935	45.2
131.08568	1.7
132.05281	0.8
132.08080	0.8
133.10118	2.7
139.08824	0.7
142.06548	2.9
142.08650	0.9
143.04927	18.2
144.05664	1.6
145.06522	1.0
145.10051	0.9
151.11197	6.9
159.04410	3.8
159.08128	1.4
159.11624	1.1
169.12177	3.5
170.06033	6.8
170.11853	1.3
172.05191	1.1
187.03914	100.0
187.07359	4.9
187.11221	2.6
187.13045	1.0
187.14586	1.5
188.04260	3.1
188.07065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03945	1.4
55.05515	2.3
57.07073	5.0
60.23327	0.7
67.05505	8.6
69.07076	3.5
69.49142	4.0
79.05495	8.1
81.03437	1.3
81.07059	6.9
88.02222	1.3
91.05489	25.6
93.07049	7.2
95.08607	5.7
103.05450	1.0
105.04531	0.9
105.06331	1.2
105.07036	22.9
107.08597	3.3
109.10188	0.7
115.05456	13.1
116.06205	1.6
117.07028	23.6
117.07880	1.3
119.08588	17.9
121.10156	3.5
125.45274	0.7
128.06233	1.3
129.07005	4.6
130.07788	4.4
131.04930	11.5
131.08575	61.0
133.10136	5.8
134.09198	0.8
143.04932	5.4
143.08528	4.3
144.09334	2.4
145.10132	100.0
146.10555	1.4
158.10814	0.8
159.04405	0.8
159.11697	15.4
159.12894	1.3
185.13217	1.2
187.03917	27.6
187.11229	3.1
187.14830	89.1
188.15181	1.8
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
53.03938	1.4
54.96535	0.6
55.05504	2.5
57.07081	5.2
62.92017	0.6
65.03950	0.8
67.05178	1.0
67.05509	10.5
69.03427	1.4
69.07077	3.1
71.08616	0.6
79.05492	8.7
81.03417	3.0
81.07061	6.4
83.08611	1.0
88.02210	2.6
90.49453	0.6
91.05482	21.4
93.07043	6.1
95.04984	1.0
95.08611	4.5
98.20744	1.7
103.05502	0.6
104.06206	0.6
105.07031	22.0
107.08604	4.6
109.02905	0.6
109.06553	0.6
109.10130	1.1
114.34427	0.6
115.05456	12.0
116.06219	0.9
117.07020	23.4
119.08580	17.0
121.10148	2.5
128.06212	0.9
129.07010	4.4
130.07806	4.2
131.04932	14.9
131.08572	62.9
132.08961	0.8
133.10149	4.8
143.04942	6.9
143.08571	3.9
144.09329	2.0
145.10126	100.0
146.10571	1.8
157.10161	0.8
158.10939	1.6
159.04427	1.3
159.06984	0.8
159.08110	1.3
159.10338	0.8
159.11688	14.0
172.12428	0.9
173.00745	0.7
174.94846	0.6
185.13321	1.1
187.03915	39.4
187.07513	1.3
187.11391	3.4
187.14822	95.0
188.04242	0.9
188.15155	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28944	0.4
70.65372	0.7
70.65697	0.7
75.59410	0.5
91.05487	4.3
99.07959	0.4
103.05481	0.4
107.07360	0.4
115.05460	5.4
117.05774	1.1
117.07021	4.3
118.06550	67.5
119.06893	0.9
128.04984	0.4
132.05287	0.4
132.06471	0.3
132.08089	0.6
142.06529	6.4
143.07300	11.5
144.04454	0.8
144.08096	23.8
145.06575	0.5
146.06018	100.0
147.06430	2.0
155.06078	1.1
160.07573	0.9
170.06018	8.3
188.04520	2.0
188.07065	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.56197	0.4
57.58239	0.4
69.13752	4.7
69.14087	0.4
91.05483	5.3
103.05499	0.5
115.05465	7.0
116.05804	1.5
117.05770	1.7
117.07023	4.8
118.06550	73.9
119.06865	0.6
132.05283	1.9
132.08093	1.2
142.06538	7.1
143.07312	12.1
144.04353	0.6
144.05399	0.7
144.08090	25.4
146.06018	100.0
147.06354	1.6
155.06030	0.9
160.04901	0.5
160.07552	1.0
170.06026	9.5
187.70337	0.5
188.04337	6.6
188.07059	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	189.0547
Annotation	Plumbagin
Peak:m/z	Relative Intensity
53.00297	3.6
53.03938	3.0
55.01855	6.5
60.50544	1.6
60.77483	1.8
63.02364	4.2
65.03927	7.5
66.47083	1.7
67.05491	2.6
68.99796	25.0
69.03415	3.8
69.07085	2.3
71.49840	2.4
79.05493	15.6
81.07049	6.5
89.03925	86.8
90.04263	2.2
91.05489	23.0
93.03417	2.4
93.07030	6.5
95.01315	7.8
95.04964	3.9
95.08605	7.2
103.05471	11.5
105.07034	89.9
106.90440	2.2
107.08605	5.1
109.96626	1.7
111.04388	1.7
112.07984	1.6
113.57664	2.0
115.04205	1.8
115.05466	42.0
117.03401	24.8
117.07011	18.1
119.04919	3.8
119.08580	16.7
121.02865	6.7
121.06509	11.3
128.06180	2.1
131.08582	3.9
133.06500	75.0
133.10127	12.6
143.04948	3.2
143.08559	3.4
145.02867	13.9
145.06477	15.9
145.10094	5.1
147.08044	4.8
147.11673	5.8
149.02385	2.9
156.09412	2.1
159.08084	2.5
161.05989	38.0
161.07285	2.8
161.09630	2.1
161.13257	3.7
171.11684	5.8
173.03468	3.3
189.05478	100.0
189.09113	6.2
189.12585	15.9
189.16367	13.6
190.05887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
51.23410	0.3
51.48170	0.4
54.54723	0.3
55.05500	1.2
55.20280	0.3
56.05017	0.3
56.96566	2.9
57.03441	0.5
57.70235	0.3
57.83047	0.3
58.15512	0.3
60.05650	0.5
65.35202	0.3
67.05502	0.4
69.03424	1.1
69.07065	0.9
70.06589	1.8
70.19695	1.4
70.98121	0.9
72.08161	2.0
73.06540	0.4
73.31539	0.3
75.04517	0.3
79.05474	0.3
81.03443	0.3
84.04485	0.5
84.08155	1.5
85.02919	0.8
86.09708	100.0
87.10041	0.8
91.05480	0.6
93.07056	0.5
95.08579	0.9
97.02931	0.4
98.97587	5.4
105.07061	0.7
107.04952	0.7
109.10178	0.5
110.97614	0.5
115.05437	0.6
116.98593	1.7
119.08596	0.7
120.08163	0.6
123.04454	0.3
128.02379	0.3
130.08647	0.8
131.08572	0.4
132.10210	33.1
133.06512	0.4
133.10419	0.4
143.11798	18.1
145.06573	0.4
147.04459	0.4
150.57840	0.4
155.04662	0.5
156.09399	0.4
158.99699	0.7
161.06013	0.7
162.05504	0.8
164.19220	0.3
174.10368	0.5
189.04176	0.5
189.05586	0.8
189.09203	0.4
189.12531	2.0
190.05118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
52.48517	0.3
56.96569	5.3
57.03416	0.4
57.07070	0.3
59.16125	0.3
60.08154	0.8
61.02927	0.4
67.57174	0.3
69.03429	0.5
70.06594	1.2
70.39394	0.6
70.39761	0.6
70.98103	0.4
72.08154	3.2
73.02910	0.4
84.04517	0.4
84.08141	4.0
84.96028	0.3
85.02899	0.7
86.09706	100.0
87.10049	0.8
91.05505	0.4
95.34877	0.3
97.02863	0.4
98.97585	9.8
100.99142	0.7
101.00849	0.6
101.02357	0.4
107.04973	0.4
110.97577	0.9
112.99149	0.8
115.03992	0.3
116.07051	0.4
116.98638	3.7
118.08654	0.4
119.00176	0.4
119.01866	0.7
123.04450	0.7
128.98602	0.7
130.08629	1.6
131.00172	0.5
132.10162	0.5
134.99712	0.7
139.51514	0.4
140.02362	0.3
146.99693	0.3
147.03127	0.9
147.08073	0.3
158.99686	0.7
162.05496	0.3
163.02760	0.4
165.04053	1.3
170.99628	0.4
177.00735	0.4
177.04163	0.4
178.04918	0.6
183.05086	0.8
186.04420	0.5
189.04341	0.6
189.12399	1.6
189.16034	0.6
207.05132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01875	7.1
55.05505	3.8
62.55408	1.0
67.05510	14.7
69.07055	3.6
71.08643	2.0
71.08987	1.2
79.05504	18.6
81.07063	11.9
83.04962	2.6
84.33413	1.1
85.06533	1.5
86.92464	0.9
89.37604	1.0
89.55167	1.0
91.05489	62.8
93.07050	12.1
95.04970	4.0
95.08598	4.6
95.90343	1.0
97.06532	2.5
98.85371	1.0
101.44012	0.9
103.05437	1.3
105.07038	37.4
107.04957	2.9
107.08595	5.1
109.06502	2.2
115.05452	3.3
117.07032	14.6
117.88917	0.9
119.08589	19.1
121.06495	4.4
121.10188	2.1
123.08071	1.7
128.06265	5.6
129.07013	35.1
130.07768	3.8
131.08574	6.6
133.06494	3.1
133.10143	17.6
134.10875	0.9
135.08090	1.6
141.07002	1.6
142.07805	1.2
143.08578	16.4
145.06509	1.2
145.10130	30.3
147.08061	10.2
147.11700	13.6
156.09329	4.3
159.08064	2.1
159.11662	1.4
160.05209	1.7
161.05951	3.1
161.09634	4.0
161.13268	15.1
169.10088	1.5
170.86951	1.1
171.11700	56.0
174.10446	1.6
189.05493	2.5
189.09169	6.2
189.12755	100.0
189.16393	4.5
190.13135	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97900	0.9
55.01870	1.3
55.05515	4.3
55.63248	0.8
67.05500	3.6
69.03436	8.6
69.07059	2.9
69.66168	3.8
69.66589	2.1
71.77276	0.8
75.28880	0.8
79.05495	3.6
81.07049	3.0
83.04972	2.6
91.05476	9.3
93.07058	4.1
95.04965	3.0
99.61726	1.0
103.05412	1.0
105.07044	23.6
107.08575	4.1
109.06528	2.4
112.74870	0.9
115.05481	1.1
116.06215	0.9
117.07022	2.8
119.04999	1.4
119.08592	40.3
121.06503	2.3
121.10144	2.3
128.06244	1.5
128.51285	0.9
129.07013	2.4
131.08574	10.0
133.06500	4.8
133.10144	16.1
135.08047	5.6
141.06976	2.4
143.08597	5.6
145.06483	2.8
145.10179	4.2
146.07266	1.6
146.10910	1.9
147.06970	1.5
147.08064	21.3
147.11702	17.3
155.08557	1.4
156.09361	16.4
159.08067	18.2
159.11691	2.3
160.08856	7.1
161.09648	8.7
161.13261	24.2
171.11702	19.3
173.09549	1.4
174.10422	33.7
189.12756	100.0
190.13097	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.0
71.06907	3.3
79.05479	3.2
86.09686	5.2
89.05077	1.4
89.88044	1.4
91.05478	9.0
93.07035	2.5
105.07046	17.9
105.41686	1.4
107.08595	3.2
115.05459	3.8
117.06219	1.3
117.07003	3.8
119.04955	2.9
119.08583	28.3
121.10126	2.5
128.06265	3.4
129.06989	5.3
130.07765	4.9
131.08543	8.4
133.06490	1.9
133.10149	10.6
141.06995	9.0
143.08598	7.5
144.09366	3.2
145.10127	18.7
146.10880	2.2
147.08081	8.9
147.11691	22.2
154.41832	1.5
155.08554	2.5
156.09351	54.3
159.08078	8.3
159.11679	12.1
161.05984	2.2
161.09602	4.3
161.13251	5.7
171.11696	62.9
174.10378	15.9
189.04427	1.5
189.09250	2.9
189.12740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
66.12878	1.5
66.72364	1.5
69.03413	4.6
69.07063	3.1
71.39906	3.7
79.05490	2.5
81.07025	2.9
83.13092	1.5
86.00727	1.4
86.09709	4.7
91.05471	9.6
93.07058	3.5
105.07044	15.8
107.08619	2.6
115.05473	3.8
117.07011	5.9
119.04923	2.2
119.08594	28.1
119.16560	1.4
121.10138	3.4
128.06258	3.2
129.07021	4.8
130.07764	3.5
131.08598	10.0
133.06529	3.5
133.10144	10.6
141.07004	7.3
143.08551	8.9
144.09354	2.0
145.06506	2.1
145.10126	17.7
146.10887	2.7
147.08083	9.6
147.11716	26.7
155.08580	2.8
156.09367	52.2
159.08078	9.3
159.11713	14.2
160.08858	3.0
161.05922	1.8
161.09671	2.9
161.13266	8.7
164.31219	1.5
171.11696	61.6
174.10434	15.8
189.09161	3.2
189.12766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
66.12878	1.5
66.72364	1.5
69.03413	4.6
69.07063	3.1
71.39906	3.7
79.05490	2.5
81.07025	2.9
83.13092	1.5
86.00727	1.4
86.09709	4.7
91.05471	9.6
93.07058	3.5
105.07044	15.8
107.08619	2.6
115.05473	3.8
117.07011	5.9
119.04923	2.2
119.08594	28.1
119.16560	1.4
121.10138	3.4
128.06258	3.2
129.07021	4.8
130.07764	3.5
131.08598	10.0
133.06529	3.5
133.10144	10.6
141.07004	7.3
143.08551	8.9
144.09354	2.0
145.06506	2.1
145.10126	17.7
146.10887	2.7
147.08083	9.6
147.11716	26.7
155.08580	2.8
156.09367	52.2
159.08078	9.3
159.11713	14.2
160.08858	3.0
161.05922	1.8
161.09671	2.9
161.13266	8.7
164.31219	1.5
171.11696	61.6
174.10434	15.8
189.09161	3.2
189.12766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05516	11.0
56.96551	1.2
57.07060	2.0
57.42910	1.2
65.03924	1.1
67.05503	10.6
69.07069	8.6
71.48180	1.2
75.67190	1.0
79.05499	8.8
81.07057	51.8
83.08610	6.5
91.05486	19.6
93.07044	10.7
95.04938	1.7
95.07996	1.5
95.08614	28.7
96.14906	1.2
97.10168	1.1
105.07037	53.5
106.90474	1.6
107.08588	13.1
109.06536	1.3
109.10159	9.1
115.05412	2.3
116.06186	1.2
117.07025	4.2
119.08585	67.3
121.09431	1.3
121.10164	11.7
128.06204	2.7
129.07022	2.5
130.07730	1.2
131.08562	11.8
133.06491	3.3
133.10132	80.3
143.08568	3.4
145.10133	14.1
146.10855	4.0
147.08054	3.7
147.11699	43.2
156.09343	2.8
159.08037	1.7
159.11769	5.7
160.12511	7.5
161.05920	2.2
161.09648	3.0
161.13269	16.5
171.11627	6.9
174.10413	2.8
174.14024	2.3
189.05426	3.7
189.09114	8.9
189.12711	18.7
189.16391	100.0
190.08676	1.4
190.16759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03937	1.6
55.05515	5.0
57.07058	1.7
61.51791	0.8
65.03942	1.6
67.05506	22.2
69.07071	7.3
79.05497	27.1
81.07059	26.1
83.08618	1.7
91.05482	44.6
93.07048	29.8
95.04950	2.1
95.08607	38.2
97.10189	0.8
98.21564	2.6
103.05457	1.3
105.07035	39.8
107.04926	1.2
107.08593	35.3
109.10160	10.4
115.07595	1.1
117.07011	2.6
119.08587	36.5
121.10144	31.7
123.11706	1.5
129.07019	1.7
131.08582	4.3
133.06500	1.2
133.10135	44.6
135.11707	2.1
143.08548	1.1
145.10139	3.6
147.08032	2.1
147.11690	28.5
149.02312	0.9
156.09433	1.3
161.05977	1.2
161.13231	8.3
171.11690	2.2
174.10435	1.0
187.35918	0.8
189.09131	2.7
189.12704	7.6
189.16385	100.0
190.16748	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	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03935	1.7
55.05516	11.0
56.96551	1.2
57.07060	2.0
57.42910	1.2
65.03924	1.1
67.05503	10.6
69.07069	8.6
71.48180	1.2
75.67190	1.0
79.05499	8.8
81.07057	51.8
83.08610	6.5
91.05486	19.6
93.07044	10.7
95.04938	1.7
95.07996	1.5
95.08614	28.7
96.14906	1.2
97.10168	1.1
105.07037	53.5
106.90474	1.6
107.08588	13.1
109.06536	1.3
109.10159	9.1
115.05412	2.3
116.06186	1.2
117.07025	4.2
119.08585	67.3
121.09431	1.3
121.10164	11.7
128.06204	2.7
129.07022	2.5
130.07730	1.2
131.08562	11.8
133.06491	3.3
133.10132	80.3
143.08568	3.4
145.10133	14.1
146.10855	4.0
147.08054	3.7
147.11699	43.2
156.09343	2.8
159.08037	1.7
159.11769	5.7
160.12511	7.5
161.05920	2.2
161.09648	3.0
161.13269	16.5
171.11627	6.9
174.10413	2.8
174.14024	2.3
189.05426	3.7
189.09114	8.9
189.12711	18.7
189.16391	100.0
190.08676	1.4
190.16759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
62.93907	0.2
64.59325	0.2
65.02173	0.3
70.61173	0.7
86.41518	0.2
89.03931	1.3
98.33012	0.2
116.04974	4.3
120.08187	0.2
144.04437	4.4
162.05508	100.0
163.05887	1.5
187.35435	0.2
190.04996	33.5
191.05382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
55.05504	1.2
57.05943	0.6
57.07077	24.4
59.99125	4.0
60.63050	0.5
62.99096	0.6
69.03432	1.0
69.15714	0.6
78.00156	39.1
79.05508	1.2
81.07076	1.0
83.04990	0.7
84.08133	0.7
86.09711	9.8
91.05476	2.0
92.01687	1.6
93.07019	1.2
93.13107	0.6
95.04987	0.8
95.08595	0.9
102.04673	0.6
103.05479	1.5
105.07044	2.9
106.07339	1.4
107.04956	1.4
107.08572	2.1
108.08895	0.6
111.14569	0.5
116.05235	0.9
117.07012	0.7
119.08581	0.9
119.17042	0.6
120.08932	0.8
121.06508	1.4
121.10132	1.1
130.06589	0.7
131.04915	2.0
131.08542	1.8
133.10143	2.9
134.06354	45.3
134.10425	1.0
135.08049	1.8
145.10097	1.8
147.04434	4.4
147.11723	0.7
148.05022	0.6
148.07944	2.5
149.02332	1.2
149.09630	1.0
149.13223	1.1
160.05272	0.7
162.05400	1.0
163.07478	1.4
173.13286	1.5
175.03874	1.7
189.07108	0.7
190.06346	6.2
190.12611	100.0
191.07045	2.0
191.08603	0.8
191.10622	1.0
191.12819	1.1
191.14378	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.27461	1.5
53.03941	2.6
55.05495	6.0
64.79202	1.3
67.05495	5.4
69.03423	4.2
69.07055	4.2
71.04974	1.9
71.48843	1.7
79.05475	5.7
81.04535	3.2
81.07033	4.4
83.04958	2.3
83.06081	1.9
83.08623	2.2
84.83398	1.6
91.05477	9.8
93.07044	13.1
95.04930	1.7
95.08602	8.0
99.61361	1.5
103.05483	1.8
105.07038	9.8
107.04955	3.0
107.08593	17.2
108.05608	3.0
109.03979	3.0
109.06444	2.1
109.07697	1.8
109.10158	6.8
110.07167	3.2
110.08426	1.8
111.04446	4.3
111.09209	1.8
112.08661	2.3
117.07017	2.7
119.08584	4.6
121.06504	10.9
121.07510	1.6
121.10165	13.5
122.07204	3.2
123.08115	2.7
123.09197	1.7
123.11702	1.5
130.07782	3.2
131.08562	4.9
133.10147	9.2
135.08058	56.8
135.11693	8.8
136.08614	2.6
143.08598	3.0
145.10147	13.1
147.08022	3.2
147.11711	1.9
148.08778	3.1
149.05954	2.4
149.08235	5.4
149.09612	4.8
149.13243	5.0
150.10207	1.6
151.07593	1.8
151.09779	2.1
155.08517	3.0
158.07237	9.7
161.05969	4.6
163.07513	2.4
163.11183	16.8
173.09631	19.4
173.13234	6.4
174.10164	2.3
176.08327	16.8
191.03311	1.6
191.10677	100.0
191.12692	3.4
191.14305	17.5
191.17894	6.6
192.12479	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10864	1.9
53.03937	6.6
53.50650	2.0
55.01852	2.1
55.05495	8.7
57.07087	2.2
60.59117	1.9
62.83850	1.9
65.03918	2.2
67.05498	11.7
69.03098	2.5
69.03431	30.5
69.07071	13.2
69.71075	13.0
79.05495	57.8
81.07055	62.4
81.98557	2.1
83.04993	16.5
83.08617	3.8
85.06550	3.5
91.05489	23.6
93.06487	2.6
93.07047	29.1
95.04948	8.4
95.08610	12.1
97.06564	3.7
103.05458	3.9
105.04493	2.5
105.07024	29.1
107.04966	35.6
107.07887	4.3
107.08597	76.7
109.06517	8.9
109.10161	11.1
111.08060	3.5
115.05443	2.5
117.07013	4.9
119.06055	2.1
119.08580	13.2
121.06530	12.2
121.10136	25.9
122.07309	4.5
123.08051	5.9
123.11716	2.1
129.07001	4.4
131.04942	2.5
131.08594	15.7
133.10136	81.9
135.08073	20.8
135.11708	4.8
136.08827	3.3
137.09601	16.6
143.08542	4.5
145.10115	8.1
147.11696	11.4
149.09650	9.5
149.13304	12.1
152.07101	1.9
158.10925	10.8
161.09660	4.4
163.14801	4.7
173.13260	27.3
176.11946	2.3
191.06940	3.4
191.10620	3.9
191.14308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.5
53.66222	1.7
55.01870	3.3
55.05523	9.6
57.07063	3.4
61.01653	1.9
63.87609	1.9
67.05511	11.8
69.03410	4.7
69.07079	17.8
70.61381	6.1
71.04980	7.2
79.05507	13.3
81.07060	18.2
83.04962	3.0
83.08630	15.8
84.11672	2.2
85.06539	5.3
91.05476	23.1
93.07043	15.3
95.04997	12.3
95.08606	14.7
97.06518	7.9
103.05432	3.1
105.07042	40.0
106.06541	6.0
107.08615	28.3
109.06517	25.5
109.10158	52.6
111.08091	3.3
115.05469	4.6
117.07034	4.4
119.08585	13.9
121.06512	7.4
121.10152	14.2
122.95056	2.1
123.08063	10.8
123.11723	27.7
126.64928	2.0
129.07021	5.9
131.08580	43.9
132.04440	2.3
133.10138	100.0
135.08058	61.7
135.11711	4.6
141.67624	2.2
143.08540	8.8
145.06490	2.7
145.10110	16.6
146.75853	2.0
147.11694	14.0
148.08813	2.6
149.09622	11.2
149.13271	9.3
150.10489	2.4
158.10925	14.7
163.05888	3.6
163.07533	4.9
163.14783	3.9
173.13263	59.6
176.12022	2.4
179.54460	2.4
191.07042	2.5
191.14313	74.1
202.79984	2.0
214.03813	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03951	2.2
55.05506	6.9
57.07084	11.6
59.05018	3.7
63.22806	2.0
67.05506	9.4
69.03439	3.8
69.07081	10.5
69.38694	15.3
71.04982	7.6
77.88909	1.8
79.05496	9.3
81.07061	15.0
83.08636	2.8
84.92691	1.8
85.06543	13.2
91.05489	24.7
93.07043	18.2
95.04975	5.8
95.08624	12.4
95.41464	1.8
97.06537	5.6
98.21631	2.2
103.05501	2.3
105.07040	45.7
107.08606	49.7
109.06538	8.1
109.10168	12.3
115.05478	3.2
117.07017	6.8
119.08593	32.1
121.06497	4.7
121.10139	33.9
123.08070	4.7
123.11700	4.3
127.87861	2.3
128.06232	1.9
129.07010	4.7
130.07788	3.9
131.08585	44.3
133.10147	100.0
135.08051	20.1
135.11702	6.0
143.08588	13.2
144.09338	6.8
145.10127	29.2
147.11700	15.6
149.09637	6.3
149.13287	36.6
158.10921	24.2
161.13188	2.2
163.14806	6.0
171.11772	2.6
173.13284	67.7
191.14325	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.05501	5.3
57.03426	4.0
57.07062	3.4
67.05514	9.1
67.33888	1.2
69.03424	4.6
69.07076	13.9
70.42148	1.2
70.77323	2.9
71.04993	3.5
79.05499	10.5
81.07061	17.6
83.04970	4.5
83.08627	7.8
85.06527	4.5
91.04908	1.3
91.05480	19.1
93.07053	13.4
95.04979	6.5
95.08615	11.2
97.06527	11.2
98.97589	1.2
103.05466	2.1
105.07034	40.3
107.08603	29.3
109.06520	12.9
109.10159	14.3
111.08093	2.0
116.06167	1.6
117.07027	4.2
119.08584	18.6
121.06503	6.6
121.10153	16.6
123.08039	6.1
123.11713	7.8
129.06972	3.3
131.08575	34.6
133.10136	100.0
135.08058	20.0
135.11694	4.8
143.08574	5.9
144.09346	2.5
145.10135	13.0
147.11682	14.3
149.09666	6.8
149.13257	10.4
150.10443	2.6
158.10927	13.2
161.09627	3.6
163.11157	1.5
163.14850	4.1
173.13281	44.4
187.63539	1.3
191.06862	1.4
191.14314	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.0
57.03429	1.4
57.07082	2.4
59.05007	2.5
67.05505	9.3
69.03428	7.8
69.07074	14.3
69.86860	6.5
71.04977	3.2
78.30828	1.5
79.05504	9.3
81.07057	12.0
83.04966	5.4
83.08609	5.2
85.06538	4.5
91.05484	22.9
93.07037	16.6
95.04969	3.7
95.08622	12.1
97.06532	11.6
98.20840	2.8
103.05421	1.6
105.07037	45.2
105.08097	1.9
107.04959	2.6
107.08596	34.0
109.06510	6.3
109.10123	8.2
111.08155	1.8
116.06341	1.8
117.07015	6.4
119.08588	22.7
121.06512	5.1
121.10149	24.7
123.08059	7.0
128.06279	2.0
129.07022	4.0
130.07796	1.8
131.08574	47.6
133.10138	100.0
135.08064	18.4
135.11661	3.9
143.08546	9.7
144.09348	4.0
145.10129	20.5
147.11699	17.6
148.08812	2.3
149.09644	20.1
149.13261	20.0
158.10925	19.1
161.09634	3.7
163.14867	3.5
173.13266	62.9
191.14320	90.4
200.18840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06046	2.3
55.01862	3.7
55.05511	6.9
56.60363	2.2
59.04996	2.3
65.03944	2.7
67.05517	13.5
69.03437	6.7
69.07064	12.9
69.65632	14.7
71.05006	5.2
79.05500	15.0
81.07066	16.7
83.05001	3.6
83.08610	5.7
85.06548	4.8
91.05487	26.9
93.07068	22.3
95.04949	11.6
95.08629	12.1
97.06535	7.5
98.21540	3.4
105.07036	48.1
107.08602	45.2
109.06516	22.0
109.10161	36.2
111.08027	3.0
115.05457	2.8
116.06259	2.5
117.07046	8.5
119.08588	29.1
121.06503	10.7
121.10149	29.2
123.08047	11.6
123.11749	8.2
129.07011	4.3
131.08578	49.8
133.10141	100.0
135.08061	44.9
135.11705	4.0
143.08563	12.3
144.09351	5.6
145.10156	26.1
147.11702	18.1
149.09631	32.9
149.13272	21.1
158.10921	17.6
161.09598	2.7
163.14783	5.6
171.11716	2.3
173.13269	63.4
173.14714	3.8
176.11978	2.5
191.14331	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05503	4.2
59.05019	1.3
61.46736	0.9
67.05508	2.5
69.03432	8.2
69.07095	5.3
71.03410	2.2
71.04972	2.9
79.05494	4.3
81.07066	3.4
81.35941	1.0
83.04991	6.4
85.06527	1.2
91.05479	11.0
91.25515	1.1
93.07043	8.3
95.08617	6.3
97.06547	9.3
103.05489	1.6
105.07044	25.9
107.08611	22.8
109.06561	1.9
109.10181	1.9
112.43507	1.0
117.07028	3.1
119.08615	6.3
121.06503	4.4
121.10157	9.7
123.08060	4.7
129.07014	1.4
131.08577	24.9
133.10143	100.0
135.08055	6.8
143.08586	5.2
144.09373	2.1
145.10135	9.4
147.11746	5.8
149.09628	4.3
149.13271	7.0
158.10941	7.9
173.13275	41.3
191.14320	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49003	1.3
55.01862	1.9
55.05498	4.2
57.07083	1.8
62.48664	1.1
67.05498	3.1
69.03433	10.3
69.07074	5.6
71.03566	2.4
71.04976	1.9
72.71354	1.0
79.05492	6.4
81.07050	3.9
81.81235	1.3
83.04987	7.0
83.08623	1.7
85.06538	1.6
91.05489	11.3
93.07054	7.3
95.04991	2.2
95.08603	5.2
97.06520	5.3
103.05460	1.5
105.07041	22.6
107.08601	36.3
109.06491	1.9
109.10154	2.7
117.07001	2.2
119.08599	7.4
121.06491	4.2
121.10153	14.5
123.08086	2.8
123.11716	2.7
129.06992	1.8
131.08578	21.3
132.02003	1.4
133.10136	76.8
135.08061	9.7
143.08566	4.3
145.10127	9.0
147.11703	6.4
149.09575	3.5
149.13274	10.1
158.10921	9.8
161.09596	3.1
163.11186	1.3
163.14816	3.1
173.13274	30.0
191.14319	100.0
192.14653	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
55.05518	7.5
57.07061	2.6
65.03950	1.9
67.05515	9.0
69.03429	15.2
69.07072	13.5
70.60218	4.0
71.04996	2.5
79.05492	10.4
81.07059	8.5
83.04980	10.6
83.08612	4.4
84.10333	1.3
85.06544	4.4
87.90912	1.5
91.05489	18.8
93.07043	12.9
95.04959	3.2
95.08620	13.0
97.06530	18.7
103.05473	4.8
105.07037	38.1
107.04925	2.7
107.08592	30.9
107.85217	1.5
109.06530	4.5
109.10163	8.3
111.08060	2.1
116.06241	1.6
117.07016	3.0
118.07779	1.4
119.08580	16.4
121.06489	11.1
121.10151	25.5
123.08048	6.2
123.11725	4.5
123.42753	1.4
129.06996	3.5
131.04924	3.2
131.08583	35.9
133.02902	2.0
133.10135	94.3
135.08052	17.8
135.11687	4.6
143.08563	6.4
144.09329	2.4
145.10141	15.9
147.11676	10.0
148.05165	4.2
149.09634	10.8
149.13298	13.4
158.10922	13.4
161.09663	2.6
163.07562	4.8
163.14825	5.1
171.11690	2.0
173.13271	52.6
176.11993	3.5
191.07047	3.8
191.14317	100.0
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
53.03940	1.7
55.05492	3.9
57.07065	2.5
65.69170	1.2
67.05511	5.1
69.03417	4.4
69.07064	6.9
69.76042	4.8
71.04998	2.8
79.05489	6.5
81.07048	6.8
83.04998	5.4
83.08627	2.1
85.06532	3.3
91.05484	14.7
93.07041	11.6
95.04962	4.2
95.08601	5.9
97.06533	10.5
98.21410	1.5
103.05482	2.3
105.07039	31.4
107.08594	23.0
108.74240	1.1
109.06527	2.8
109.10168	9.5
111.08045	1.0
115.05448	1.1
117.07021	1.8
118.07779	1.6
119.08589	11.1
121.06499	2.1
121.10137	13.4
123.08070	4.2
123.11726	6.8
128.02660	0.9
129.07010	2.8
131.04941	1.9
131.08575	27.0
133.10136	100.0
135.08067	8.4
135.11723	2.6
143.08578	5.3
144.09399	1.8
145.10136	11.1
147.11676	6.7
149.09630	3.1
149.13271	10.4
158.10910	9.9
161.09625	1.7
163.07628	1.7
163.14810	3.3
171.11659	1.3
173.13277	36.0
191.07066	2.0
191.14320	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01853	1.3
55.05508	5.7
57.03427	1.0
57.07069	1.3
58.95338	0.8
67.05494	5.4
69.03429	8.6
69.07070	9.0
70.83161	2.5
71.04963	1.9
79.05494	6.6
81.07056	7.0
83.04982	6.3
83.08625	2.1
85.06527	2.1
91.05495	10.4
93.07044	12.3
95.04953	3.7
95.08617	10.0
97.06523	7.1
99.08128	0.8
102.74906	0.8
103.05457	2.5
105.07033	24.8
107.04932	2.3
107.07888	1.4
107.08596	26.2
109.06505	3.5
109.10176	4.3
111.08060	1.6
115.05404	1.1
117.07041	4.5
118.96484	0.9
119.08590	12.2
121.06480	6.6
121.10147	18.4
123.08081	5.9
123.11703	1.9
129.06995	2.2
130.07785	1.5
131.04935	2.1
131.08556	23.9
133.10133	59.0
135.08072	12.0
135.11687	4.2
137.09630	1.3
141.75984	0.8
143.08556	3.8
144.09279	1.2
145.10107	9.3
147.11694	10.0
148.08852	1.9
149.09625	18.7
149.13278	8.2
158.10919	9.5
161.09630	2.6
163.07578	2.6
163.11174	1.0
163.14813	4.2
173.13254	29.2
174.13670	0.9
176.11952	2.2
177.04185	1.2
191.06998	2.5
191.10693	2.9
191.14307	100.0
192.14594	1.8
199.52965	0.9
205.71194	1.0
214.01724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64484	1.3
53.03931	2.7
55.05505	5.3
57.03432	1.6
57.07058	2.0
59.04990	1.9
60.94843	1.3
61.05896	1.4
63.67206	1.4
63.74511	1.2
67.05511	8.4
69.03434	6.9
69.07076	10.2
69.93922	2.8
69.94312	3.3
71.04971	3.2
79.05513	7.7
81.07056	16.8
83.04989	2.7
83.08605	5.3
85.06545	3.0
91.05481	19.1
93.07045	19.5
95.04972	5.3
95.08611	13.8
97.06529	7.2
103.05479	4.9
105.07037	37.6
107.08596	31.9
109.06537	6.2
109.10149	10.1
115.05450	2.6
116.06245	1.9
117.07011	7.4
119.08589	19.2
119.82950	1.2
121.06459	7.1
121.10156	15.9
122.05768	1.4
123.08059	8.9
123.11707	2.7
129.07016	5.5
130.07809	1.5
131.04930	2.9
131.08572	47.9
133.06540	2.5
133.10136	100.0
135.08058	17.7
135.11679	4.4
143.08574	6.5
143.40701	1.4
144.09326	5.2
145.10123	22.7
147.11710	12.8
148.05211	1.8
148.08778	1.9
149.09575	8.3
149.13242	14.2
158.10942	11.3
160.12346	1.3
161.13269	5.0
163.07581	2.8
163.11116	1.7
163.14812	4.2
171.11691	1.9
172.89980	1.4
173.13278	51.5
191.07011	1.7
191.14319	68.0
208.10258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.4
53.62944	0.5
55.05517	4.1
57.03438	1.4
57.07077	1.5
65.03960	0.9
67.05515	5.3
69.03434	13.4
69.07071	6.2
69.29730	4.7
69.30122	1.2
71.04987	0.6
79.05495	11.8
81.03420	0.9
81.07066	9.6
83.04991	4.1
83.08643	1.1
91.05477	7.7
93.07054	7.2
95.04965	1.1
95.08607	5.5
103.05493	1.0
105.07037	14.7
107.04962	5.9
107.08597	24.8
109.06516	1.7
109.10162	8.4
115.05442	1.6
117.07047	2.9
118.07835	0.8
119.06108	1.0
119.08589	5.2
121.06512	2.5
121.10152	16.0
121.11033	0.8
122.07301	2.4
123.08095	2.6
129.06998	1.3
131.08577	8.2
133.10138	100.0
134.10635	0.8
135.08076	4.3
135.11723	3.6
137.09631	15.3
143.08585	3.4
144.09326	1.4
145.10126	5.1
147.11667	4.5
149.09596	2.8
149.13278	13.4
158.10901	5.3
161.09579	0.8
163.14871	2.3
170.74728	0.6
173.13269	17.6
191.14319	23.4
204.09395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.10010	1.5
51.53360	1.8
51.69691	1.4
52.72220	1.7
53.03913	2.0
55.05509	3.9
57.03445	2.0
67.05494	7.1
67.50766	1.6
69.03423	18.1
69.07056	7.1
71.04996	2.1
79.05502	11.2
81.07056	14.9
82.91735	1.6
83.04966	4.9
83.08609	2.6
91.05482	11.1
93.07056	12.7
95.04958	4.9
95.08629	9.2
97.06523	3.9
98.20774	7.1
103.05462	3.0
105.07043	20.1
106.13240	1.7
107.04936	5.5
107.08614	35.0
109.06503	3.9
109.10162	15.6
117.06999	3.5
119.08595	8.3
121.06506	8.4
121.10149	31.1
123.08065	4.4
129.06993	2.5
130.70950	1.6
131.08566	14.7
133.10138	100.0
134.10400	2.0
135.08075	14.3
135.11679	7.9
137.09622	7.5
143.08557	4.6
145.10121	9.8
147.11678	5.9
149.09601	7.1
149.13249	19.8
158.10922	11.7
163.14815	4.6
173.13268	31.2
185.58231	1.6
191.07153	1.7
191.10675	2.6
191.14314	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	192.0657
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
50.94044	0.2
52.03152	0.8
55.05494	0.3
57.13034	0.2
57.36251	0.2
60.31746	0.3
63.45695	0.2
66.04718	0.5
70.06573	0.2
71.12038	0.6
72.04519	0.2
74.06155	0.2
79.04228	0.9
79.05490	0.3
83.03320	0.2
85.88969	0.3
86.06051	0.4
91.05490	0.4
92.05820	0.3
93.05779	2.3
103.04211	2.3
104.07127	0.3
105.07018	0.6
106.07336	0.6
106.18496	0.2
107.08560	0.3
108.04482	1.9
108.08918	0.9
118.05027	0.3
118.06509	0.3
119.08586	0.3
120.08973	0.2
121.05259	1.4
122.10479	0.3
128.04922	0.4
131.03644	1.5
132.04427	0.7
132.08920	0.7
132.95840	1.0
133.10092	0.4
134.10480	1.8
136.08488	0.3
146.06013	2.5
146.10498	0.6
149.04671	0.3
150.96957	0.6
167.07199	0.3
174.13635	1.5
177.04216	100.0
178.04578	1.3
192.06563	73.1
192.14635	2.1
193.06931	0.9
199.37334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02387	0.5
53.03963	0.4
61.35867	0.4
69.51298	3.2
77.03930	0.7
79.05476	0.5
81.03448	0.6
89.03915	1.0
91.05494	0.8
93.64185	0.4
94.04195	1.0
94.88550	0.4
95.04951	0.7
105.03377	1.6
105.07040	0.8
108.18694	0.5
114.68734	0.4
117.03450	0.6
119.08588	0.5
122.03648	5.8
133.02861	42.1
133.10165	0.5
134.03627	0.4
137.05988	11.4
143.09755	0.4
149.05972	2.9
150.03157	3.5
161.06042	0.5
165.05478	4.0
178.02629	24.2
193.04974	100.0
193.16020	0.5
194.05327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02381	1.5
53.03949	7.7
55.01875	6.4
55.05513	14.2
57.03439	3.3
57.07065	1.3
65.03940	4.9
67.05506	44.9
67.89845	0.7
69.03447	4.7
69.07072	10.3
71.01369	1.0
71.04997	6.7
77.03928	1.2
79.05494	43.0
80.54089	0.7
81.03420	100.0
81.07059	28.6
83.04987	12.4
83.08622	13.8
85.02904	0.9
85.06554	3.2
90.04695	0.8
91.05483	57.0
93.07047	33.6
93.07641	1.7
95.04968	44.5
95.08607	15.5
95.09174	1.1
97.02888	2.9
97.06535	7.2
97.10168	1.9
99.08090	2.1
103.05459	8.9
104.06274	1.1
105.07034	85.8
106.07357	1.3
107.04964	11.9
107.08601	14.0
109.06528	10.4
109.09403	1.0
109.10156	16.0
111.04454	2.2
111.08078	4.7
113.06007	1.8
115.05454	14.9
115.12994	0.7
117.07025	2.8
118.04161	5.7
119.04957	2.2
119.08585	28.6
121.02850	0.8
121.06513	4.0
121.10143	7.4
123.08064	6.4
123.11710	3.8
125.09679	1.3
128.06200	0.9
129.07008	13.8
130.78503	0.8
131.04922	2.5
131.08565	19.9
132.05731	0.8
133.02881	1.3
133.06499	44.1
133.10133	68.7
135.04446	1.1
135.08070	1.3
135.11693	11.7
137.05975	2.1
137.09602	6.1
137.13205	0.9
142.07817	5.2
143.05009	1.2
143.05956	3.5
145.10109	2.6
147.04375	1.5
147.08084	6.6
147.10521	1.3
147.11688	25.3
149.02332	1.3
149.06030	1.0
149.09616	15.7
149.13219	2.7
151.03906	0.8
151.07550	3.4
151.11176	3.3
151.14870	1.0
155.54106	0.8
157.10121	19.1
161.05986	39.5
165.05397	0.8
165.09094	2.4
165.12732	2.5
175.03877	1.1
175.07541	1.7
175.11197	26.9
175.14803	8.8
178.02620	2.0
178.06242	1.4
178.07735	1.7
193.04984	9.5
193.08609	14.7
193.10220	2.0
193.12238	25.4
193.15891	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02377	2.1
53.03947	10.4
55.01856	3.9
55.05507	9.4
57.03436	1.9
57.07083	1.7
57.91449	0.9
59.05000	0.9
60.64117	1.1
65.03941	3.6
67.05509	30.0
68.99797	1.3
69.03429	4.8
69.07079	8.5
71.04999	11.7
71.47568	1.0
71.62516	0.9
72.65134	1.0
77.03933	3.7
79.05494	63.8
80.05791	0.9
81.03414	14.9
81.06601	1.2
81.07063	24.7
83.04968	4.6
83.08639	2.4
85.02910	1.4
85.06538	4.2
87.04470	1.3
88.30132	1.0
91.05486	100.0
93.07049	95.7
95.04974	19.6
95.08591	9.1
95.64573	1.0
97.02882	1.1
97.06546	2.6
99.08141	1.2
103.05477	5.6
104.06258	1.5
105.04524	5.1
105.07037	75.8
107.04942	4.3
107.08572	8.1
109.06508	7.0
109.10154	7.2
111.08063	2.3
113.06004	2.4
115.05474	10.8
117.07017	2.6
118.04183	2.2
119.04942	1.9
119.08590	26.4
121.06504	1.8
121.10088	2.7
123.04443	1.5
123.08083	5.7
123.11673	2.7
127.07526	1.8
128.06230	1.2
129.07011	18.9
131.04984	1.4
131.08574	21.8
132.05696	2.1
133.02841	1.8
133.05490	1.9
133.06499	28.8
133.10135	99.9
135.08060	1.7
135.11728	4.8
137.05956	3.4
137.09659	1.2
142.07765	4.6
143.06006	1.9
145.10208	0.9
146.97429	1.4
147.04459	2.0
147.08023	6.0
147.11702	19.7
149.02293	2.0
149.05908	1.3
149.09602	3.3
149.13251	2.1
151.07571	7.8
151.11191	1.6
157.10149	21.0
157.11417	0.7
161.05997	21.8
165.05518	1.5
165.06937	2.6
165.09120	1.4
165.12738	1.7
175.04025	1.0
175.07492	1.2
175.11183	19.9
175.14813	4.7
178.02597	2.0
178.07767	5.7
193.04974	12.1
193.06606	2.3
193.08586	17.9
193.10167	8.9
193.12233	19.4
193.15952	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.99385	0.9
53.03933	1.3
55.01863	2.4
55.05515	8.0
56.96561	1.3
57.03426	1.4
57.07100	1.9
65.03938	3.0
65.04430	1.0
67.05508	14.5
69.03416	3.4
69.07066	7.8
70.13300	1.6
70.13699	2.3
71.04996	5.1
77.03925	1.0
79.05069	1.4
79.05495	15.0
81.03426	7.8
81.07059	25.0
82.89440	0.8
83.04981	1.9
83.08614	3.7
85.06547	2.3
91.05482	21.0
93.07044	35.0
95.04980	7.3
95.08607	17.4
97.06529	2.1
99.08080	1.4
103.05479	3.2
105.07033	30.7
107.04958	2.6
107.08595	45.0
108.04531	1.0
109.06516	7.6
109.10158	11.2
111.04444	1.2
111.08096	5.3
115.05441	4.3
117.07021	2.1
118.04163	1.7
119.04936	2.0
119.08587	32.9
121.06512	2.7
121.10133	6.3
123.04410	1.4
123.08069	14.9
123.11703	6.2
127.07543	2.6
128.96465	1.4
129.06995	1.1
131.08560	5.0
133.02815	1.5
133.06490	10.1
133.10136	48.8
135.11696	100.0
136.11978	1.4
137.05981	2.2
137.09628	20.0
142.07751	1.1
145.10101	1.5
146.97426	4.3
147.04352	1.3
147.08080	1.6
147.11691	9.3
148.07536	1.1
149.02406	4.5
149.05917	1.4
149.13269	2.6
150.03104	1.1
151.07538	1.9
151.11145	3.6
157.10114	3.0
161.05994	10.5
165.09137	1.0
165.12799	1.0
169.98869	1.5
175.11177	4.3
175.14833	47.8
176.15187	1.3
178.02684	1.9
178.07874	2.0
193.04971	12.2
193.06671	1.6
193.08519	5.7
193.10225	2.9
193.12183	10.7
193.15892	44.3
193.17676	2.3
194.07965	1.2
194.15359	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03947	3.9
54.56168	1.7
55.01864	3.8
55.05509	19.3
57.07063	7.5
59.04992	7.8
59.10171	1.8
64.67367	2.1
67.05505	35.0
69.03408	2.5
69.07069	14.8
69.82355	5.0
69.82747	3.9
71.04997	2.9
79.05496	27.0
81.03401	6.3
81.07058	25.5
83.01322	2.0
83.04971	7.5
83.08614	3.8
85.06535	28.5
91.05482	8.9
93.07049	26.7
95.04954	7.5
95.08608	31.3
97.06556	1.9
99.08095	100.0
103.05452	6.3
105.07038	68.3
106.07346	2.4
107.04915	3.1
107.08594	33.0
109.06529	10.0
109.10159	74.2
111.08050	3.6
111.87279	2.0
115.05438	9.8
118.04157	4.3
119.08580	26.0
120.66096	1.9
121.10133	13.4
123.08111	14.3
123.11698	8.6
131.04903	2.4
133.06491	43.6
133.10136	26.4
135.10719	3.1
135.11690	39.3
137.05978	2.6
137.09612	24.1
143.06046	2.8
147.11673	4.6
149.13313	3.2
151.11212	10.3
161.05998	43.8
165.16403	5.3
166.07567	2.1
175.14861	23.4
193.08614	15.1
193.15892	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03941	2.8
55.05513	11.5
57.03421	4.0
57.07067	4.9
59.04993	2.7
62.59973	1.3
67.05505	17.5
68.90436	1.4
69.03412	1.3
69.07071	13.3
70.90539	3.6
71.04975	4.9
79.05503	9.5
81.03420	9.2
81.07058	22.5
83.04971	3.3
83.08605	5.7
84.88672	1.3
85.06548	2.9
91.05480	15.5
93.07044	24.0
95.04989	6.5
95.08614	37.9
99.08082	6.1
103.05448	3.1
105.07034	41.3
105.58669	1.4
107.08598	21.4
109.06512	6.8
109.10159	24.0
111.08070	4.2
115.05429	2.2
117.07034	3.3
119.08589	63.9
121.10144	15.9
122.03743	1.3
123.08063	17.6
123.11698	6.4
128.22682	1.7
129.06924	1.6
131.08548	3.9
133.06506	10.1
133.10139	67.5
135.10713	2.5
135.11696	38.0
137.09615	20.4
145.10109	4.9
147.11697	19.4
149.13278	9.7
151.11198	2.8
151.14832	3.0
160.12497	3.2
161.05969	8.1
173.13266	1.6
175.14832	100.0
176.15213	2.1
178.02634	2.4
193.04944	4.6
193.08621	7.1
193.15887	65.0
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	gamma-Ionone
Peak:m/z	Relative Intensity
53.03925	3.2
55.05515	18.7
57.07067	7.8
67.05505	35.2
69.03425	11.4
69.07076	24.5
71.04995	5.6
79.05507	14.7
81.03404	5.3
81.07059	33.6
83.04987	22.9
83.08580	11.9
85.06537	6.9
91.05468	13.9
92.37063	2.3
93.07048	29.4
95.04970	7.8
95.08614	65.5
97.06526	5.3
97.10143	3.8
103.05489	4.8
105.07034	34.4
107.08589	56.3
109.06547	19.3
109.10160	85.8
110.10522	2.5
111.08080	9.7
115.05461	2.9
117.09142	2.5
118.96587	2.5
119.08585	74.2
121.10153	29.0
123.08066	41.9
123.11698	10.4
125.09681	4.2
131.08549	2.7
133.06476	9.7
133.10132	58.4
135.11696	100.0
137.09621	34.8
138.10382	4.5
147.11690	6.3
149.13237	20.7
151.11212	9.0
151.14854	12.0
161.05977	8.1
165.16412	3.7
175.14836	52.3
193.08656	4.4
193.15898	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.25910	1.3
53.03940	3.9
55.01864	4.9
55.05508	7.6
57.03442	1.5
57.06795	2.2
57.07077	37.3
58.35242	1.2
65.03951	1.2
67.05503	18.2
69.03426	4.3
69.07074	8.5
71.05005	1.5
71.20194	1.3
71.20535	1.8
74.17079	1.2
77.03944	1.5
79.05494	17.5
81.03424	13.4
81.07058	18.0
82.72929	1.1
83.04981	7.0
83.08621	3.9
85.06549	16.8
90.08459	1.1
91.05488	17.9
93.07045	10.0
95.04966	11.1
95.08611	20.4
97.06529	3.5
99.08126	2.7
103.05466	16.3
105.07034	100.0
106.07368	1.6
107.04959	2.5
107.08598	14.2
109.06519	30.3
109.10155	21.7
109.10854	1.9
111.08094	3.7
115.05446	19.1
116.51230	1.3
117.06976	1.9
118.04157	8.8
119.04950	1.8
119.08588	21.9
121.06517	1.7
121.10139	7.7
123.04355	1.2
123.08074	10.2
123.11703	4.6
129.07066	1.8
131.04883	2.9
131.08569	2.9
133.06496	76.8
133.10133	21.7
134.06827	1.5
135.08064	2.8
135.11685	19.0
137.05971	2.7
137.09607	10.3
143.05022	2.3
143.06065	6.9
147.04366	2.5
147.08102	2.0
147.11693	6.1
149.02327	1.6
149.05954	1.2
149.13254	4.1
151.07623	1.3
151.11174	3.6
151.14828	2.6
160.05267	2.0
161.05989	78.6
162.06454	1.7
164.04832	1.3
165.09158	1.6
165.16353	1.6
175.07593	1.6
175.11143	1.9
175.14832	21.4
178.02654	2.8
178.04581	3.4
178.06215	1.4
193.04982	10.4
193.06859	2.2
193.08601	23.7
193.10356	2.7
193.12181	7.1
193.15926	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.27827	0.9
53.03944	1.8
55.05514	23.8
57.03408	1.2
57.07079	6.8
59.04989	2.7
65.03928	2.0
67.05506	26.4
69.03436	14.5
69.07070	24.4
69.93999	4.3
71.04984	4.0
71.08633	1.2
79.05115	1.0
79.05504	8.8
81.07059	35.3
83.04983	23.1
83.08171	1.0
83.08626	13.0
85.06541	5.4
87.08098	1.0
91.05490	14.8
93.07048	25.9
95.04975	3.0
95.08612	61.8
96.08995	0.9
97.06548	5.5
97.10181	2.9
98.21456	1.8
99.08100	3.7
103.05466	2.3
105.06328	1.2
105.07037	29.9
107.08598	54.6
109.06529	19.5
109.10163	78.4
110.10477	1.7
111.08085	9.2
114.27258	0.9
115.05453	1.6
117.07013	1.9
119.08587	70.9
119.56142	0.9
120.09203	0.8
121.06500	1.6
121.10151	38.4
122.07347	1.1
123.08072	41.7
123.08972	2.2
123.11710	10.8
125.09631	1.4
131.08531	1.9
133.06503	6.1
133.10139	53.2
135.11697	100.0
136.12070	1.5
137.09618	32.9
138.10385	3.2
145.10112	2.1
147.11699	6.0
149.13264	23.0
149.14406	2.0
151.11197	11.6
151.14790	10.7
157.40707	1.1
160.76688	1.0
161.06020	5.1
165.12743	1.1
165.16418	3.1
175.14838	51.9
189.64279	1.0
193.05014	3.3
193.08638	3.1
193.15889	81.6
194.16205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02381	1.0
55.01866	0.7
55.05506	1.4
57.03446	0.4
57.07070	0.7
67.05497	2.3
69.03420	0.6
69.07075	1.3
71.04991	0.8
71.48219	0.4
75.02391	0.5
79.05505	3.2
81.03427	1.1
81.07057	4.6
83.04977	1.1
83.08649	0.6
85.06550	0.6
87.00025	1.0
89.03922	1.5
89.06035	0.4
89.55879	0.3
91.05492	1.9
93.03410	0.7
93.07050	4.7
95.04949	1.0
95.08617	3.5
97.06535	0.9
99.00034	0.7
103.05498	0.4
104.05030	0.3
105.04480	0.3
105.07030	1.2
107.04964	2.9
107.08611	2.7
109.06512	0.9
109.10183	0.6
111.04433	0.5
111.08041	0.8
117.03412	2.2
117.04514	0.7
117.05773	17.3
117.07052	0.8
118.05299	1.5
119.08603	1.1
121.06519	0.7
121.10159	1.3
122.92280	0.4
122.99976	0.7
123.08019	0.4
125.01542	2.5
125.06029	0.8
126.01065	1.6
129.01028	1.3
131.06046	4.3
131.08589	1.1
132.06845	13.2
133.05252	0.7
133.10114	0.9
135.04440	1.1
135.08035	0.8
135.11673	2.5
137.01585	0.4
137.05988	1.0
137.09618	2.0
138.01048	1.5
139.00598	3.5
140.02583	0.6
142.05255	0.7
144.05548	0.5
145.02852	4.1
145.05110	0.8
146.03310	0.3
149.05992	1.6
149.09648	0.9
149.13269	1.0
150.01077	8.8
150.02914	0.4
152.02643	5.2
152.06160	0.8
153.02156	36.3
159.11729	1.5
160.06331	5.1
163.03928	2.3
163.07530	0.4
165.00993	0.4
165.05656	0.6
165.06999	2.1
166.02986	1.2
166.89618	0.3
167.03729	9.8
167.07166	0.5
167.08574	2.4
168.02205	0.4
177.02185	3.1
177.05507	4.5
177.06921	0.5
177.09090	0.5
177.12785	1.2
177.16373	0.4
178.00558	8.5
180.09355	0.8
194.07384	0.4
195.03220	100.0
195.07956	5.5
195.11761	1.5
195.13841	1.7
195.17326	0.5
196.03525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03928	0.8
55.01868	0.9
55.05504	2.1
65.03936	6.3
67.05516	5.0
69.07053	1.6
69.67056	1.7
69.67465	2.4
70.81306	0.8
71.05007	0.8
77.29741	0.7
78.04691	1.3
79.05498	4.6
81.03403	1.8
81.07069	6.6
83.04996	1.5
83.08614	0.8
89.03918	26.6
91.05489	8.6
93.03404	16.3
93.07060	6.5
95.04956	2.6
95.08630	4.1
97.06540	2.0
98.20727	1.0
103.05460	2.0
105.06999	1.0
106.04167	2.1
107.04979	2.5
107.08589	2.9
110.03661	1.5
111.04451	8.8
117.03386	51.4
119.04951	1.9
121.06486	1.7
121.10112	1.2
125.05999	19.0
131.08621	1.7
133.10121	1.8
134.03647	9.6
135.04417	5.1
135.08057	1.4
135.11697	2.7
145.02853	88.6
146.03174	1.1
149.05983	23.7
149.07147	1.5
149.13274	1.3
151.95143	0.8
152.06238	0.8
153.05470	35.3
159.11710	1.4
162.03114	2.2
163.03926	9.3
165.06972	1.7
167.08597	1.0
177.05476	100.0
177.12755	1.1
180.09326	1.1
186.05484	1.6
195.03009	2.0
195.06500	1.8
195.08080	3.9
195.11673	3.5
195.13802	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.32765	0.6
53.03941	1.2
55.01870	2.3
55.05503	2.2
57.03431	1.2
59.04990	0.9
63.02363	1.2
65.03948	1.7
67.05501	3.2
69.03421	1.7
69.07076	3.8
71.01328	0.7
71.04981	1.3
71.48650	0.7
73.40929	0.5
76.01125	0.6
77.03867	0.7
78.04707	1.4
79.05496	6.5
81.03391	1.3
81.07054	5.5
82.07359	0.6
83.04979	1.8
83.08616	1.1
84.08142	1.0
85.02936	0.6
85.06554	0.7
89.03918	28.3
91.05479	7.0
93.03393	1.1
93.07043	7.3
95.04968	2.7
95.08604	4.7
97.06537	0.8
99.08093	1.6
103.05479	2.9
105.03371	0.8
105.04501	0.8
105.07002	3.6
106.04175	2.6
107.04958	10.0
107.08603	5.8
109.06541	1.1
109.10157	2.3
111.04454	2.4
111.08091	1.4
116.96718	0.6
117.03383	49.0
119.04943	0.7
119.08596	1.2
121.02901	0.7
121.06516	3.6
121.10153	5.6
123.04416	0.8
123.08093	0.8
123.11753	0.8
125.05988	2.4
125.09601	1.2
127.03893	1.7
131.08549	2.2
133.06512	0.8
133.10132	1.0
134.03648	8.5
135.04416	8.6
135.08044	3.8
135.11714	5.4
137.05949	1.2
137.09608	1.1
139.07512	0.9
145.02847	91.0
146.03195	1.0
148.97365	1.2
149.04787	1.4
149.05980	24.7
149.09656	4.7
149.13280	1.6
151.07510	0.9
152.06152	1.2
153.05447	3.0
153.12738	0.8
162.03091	2.1
163.03914	11.7
163.06276	0.8
163.07607	1.0
165.06958	1.4
166.02788	0.8
167.03442	0.7
167.07045	2.7
167.08565	1.8
177.05473	100.0
177.12718	2.0
177.16350	2.4
178.05011	2.6
180.09296	1.1
182.76041	0.6
186.05469	1.0
195.02899	2.4
195.06459	2.8
195.08128	3.2
195.10179	3.7
195.11752	1.3
195.13811	2.0
195.17485	1.1
196.96536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03935	1.7
55.01859	1.5
55.05497	2.6
57.03426	0.9
57.07083	0.9
60.55548	0.8
63.02364	1.0
65.03942	9.4
67.05515	4.0
69.03423	1.4
69.07072	4.7
71.04987	1.7
71.47810	0.9
73.52219	0.7
77.03926	0.7
78.04697	2.0
79.05496	7.0
81.03442	0.8
81.07056	7.2
83.04943	1.1
84.08190	0.8
85.06545	1.7
89.03919	23.3
89.05995	0.8
91.05473	9.5
93.03407	14.2
93.07036	7.3
95.04980	3.4
95.08588	6.5
97.06511	2.2
97.10186	1.2
99.04411	0.8
103.05469	3.6
105.07017	4.8
106.04185	2.1
107.04961	18.8
107.07922	0.9
107.08583	6.0
109.06523	2.2
109.10182	3.3
110.03653	2.1
111.04441	16.8
115.05478	0.9
117.03381	52.7
117.07043	0.7
119.04942	4.0
119.08554	0.8
121.06509	2.3
121.10139	7.0
123.04432	1.2
123.08083	1.2
123.11698	1.6
125.06002	22.8
125.09619	1.0
127.03913	1.1
131.08577	0.8
133.06470	0.8
134.03630	6.9
135.04398	8.7
135.08041	5.5
135.11710	3.7
137.09624	1.6
137.13254	1.2
139.03911	1.6
139.07556	0.9
145.02849	82.5
146.03102	0.8
148.97455	1.0
149.00488	0.8
149.04788	1.4
149.05977	23.2
149.07143	1.5
149.09648	2.7
149.13235	1.4
150.20851	0.8
151.03844	0.7
151.07501	1.3
152.06192	2.3
153.05470	47.5
154.06175	1.0
155.55453	0.7
158.06006	1.0
159.11705	1.9
162.03175	1.3
163.03912	10.7
163.07527	5.2
165.05560	0.8
165.06999	1.5
167.03494	1.1
167.07042	6.1
167.08586	3.1
171.98930	0.8
177.05475	100.0
177.08891	1.9
177.12704	1.9
177.16411	3.6
178.05818	1.0
180.07872	0.9
186.05492	1.5
195.01154	2.0
195.02936	3.6
195.06506	4.9
195.08112	7.0
195.10182	6.9
195.11674	1.2
195.13809	2.1
195.17500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.40498	0.5
51.23689	0.6
52.01453	0.5
53.00308	0.7
53.03939	2.5
55.01869	2.0
55.05497	0.7
57.03448	0.7
60.03944	0.5
65.03943	1.0
67.05500	1.7
70.06598	0.8
70.92798	1.4
77.03944	1.0
78.04710	1.1
79.05494	14.4
81.03445	0.7
81.07047	1.9
83.04990	0.7
89.03925	1.0
89.60656	0.5
91.04008	0.6
91.05482	10.2
93.03413	0.9
93.07049	2.3
95.04980	5.0
95.08615	0.9
98.97601	0.8
103.05473	12.2
105.03400	0.6
105.04523	1.2
105.07036	13.1
106.04157	1.0
107.04962	100.0
107.08606	2.0
109.06521	0.9
109.10197	0.9
111.04406	0.9
115.05458	9.0
117.03380	3.4
117.07040	2.7
119.04919	1.5
119.08615	0.8
120.05728	3.6
121.06513	1.7
121.10170	1.3
123.04414	3.0
124.05230	2.2
125.06011	1.1
130.96306	0.7
131.04901	1.3
133.02852	0.6
133.06470	0.6
135.04483	0.6
135.08060	26.2
135.11703	1.9
137.05998	2.1
139.03903	2.3
145.02855	5.0
145.07617	1.5
147.04362	2.7
148.05206	0.7
149.05997	2.0
149.09636	1.3
151.03902	0.6
152.04700	1.2
152.10660	0.8
153.05449	1.7
154.06256	7.6
163.07556	36.2
165.05426	1.8
167.07051	39.6
177.05505	5.1
177.09117	0.8
180.07832	8.1
195.02908	0.7
195.06509	1.2
195.08456	1.1
195.10181	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.66936	1.8
53.03949	3.4
55.01867	3.1
55.05504	16.8
57.03442	5.2
57.07068	4.4
61.17031	2.0
65.03920	3.0
66.44463	1.9
67.05507	60.7
68.99764	1.8
69.07066	17.2
71.01357	4.3
71.04981	5.2
71.08984	2.9
71.09310	3.1
71.84951	2.0
73.02902	2.0
79.05077	3.3
79.05499	36.9
81.03429	12.2
81.07061	100.0
83.05004	13.3
83.08620	11.1
85.06551	4.1
86.09701	2.2
89.03915	4.1
91.05494	24.9
93.07047	64.1
95.04959	7.0
95.08610	40.8
97.06554	13.4
99.04511	2.3
105.07047	9.6
107.04944	7.2
107.08595	28.4
109.06516	4.8
109.10157	4.0
111.08090	7.5
117.03374	7.0
117.07059	10.9
119.08566	4.4
121.06526	9.8
121.10161	11.2
130.96257	3.2
131.08586	11.5
133.10158	16.4
135.08067	7.5
135.11707	38.4
145.02844	14.1
147.04395	2.4
149.05984	4.8
149.09654	2.4
149.13286	22.4
150.09160	3.8
151.11238	2.5
152.06232	2.5
159.11711	21.9
163.03926	4.7
165.07018	4.8
167.07138	2.2
167.08562	3.7
171.93843	2.3
177.05460	15.7
177.12679	14.6
194.75078	1.9
195.03003	5.7
195.06470	3.8
195.08102	11.9
195.10118	4.8
195.11682	9.6
195.13818	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	6.3
55.01858	3.6
55.05278	1.7
55.05518	23.6
56.96561	4.8
57.03435	7.3
57.07068	1.6
60.02348	1.5
62.33982	1.2
65.03937	3.4
67.05507	73.1
69.03434	3.0
69.07072	19.5
69.31876	5.9
69.32302	6.2
71.04985	6.0
77.03914	1.4
79.05498	57.3
81.03423	27.7
81.07060	100.0
82.07369	1.6
83.04980	29.3
83.08627	10.8
85.06528	2.7
88.01822	1.5
89.03947	1.9
89.06018	1.6
91.05486	37.7
93.07048	71.3
95.04986	10.1
95.08608	38.0
97.06533	15.7
99.08105	2.3
103.05469	1.7
105.07027	14.8
107.04949	5.0
107.08597	28.2
109.06503	3.9
109.10132	4.0
111.08077	7.5
117.03379	2.2
117.07017	16.7
119.08584	4.3
121.06510	13.7
121.10169	9.8
131.08553	17.7
133.10136	18.8
135.08025	4.7
135.11703	29.2
145.02827	6.2
149.05975	1.7
149.09636	4.2
149.13266	17.6
151.11176	3.1
152.06227	2.3
159.11696	20.1
177.05441	4.4
177.12730	12.8
181.81729	1.5
187.29608	1.4
195.02965	2.2
195.06418	1.8
195.08034	3.3
195.11887	2.6
195.13815	22.2
195.15553	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	5.6
55.01865	4.8
55.05514	22.4
56.96576	7.5
57.03440	7.3
57.07076	1.5
65.03941	3.5
67.05507	66.3
68.61992	1.3
69.03432	2.8
69.07068	17.7
70.01542	2.9
70.01933	2.6
71.01352	2.3
71.04984	7.6
77.03934	1.8
79.05495	50.0
81.03421	33.9
81.07059	100.0
83.04981	23.0
83.08620	11.6
85.02905	3.4
85.06539	4.3
89.03911	1.8
89.06013	2.4
91.05488	35.5
93.07044	64.8
94.07371	1.8
95.04975	10.5
95.08613	40.1
97.06532	16.3
97.10230	1.5
97.73276	0.9
98.21450	1.8
99.08090	3.0
103.05473	1.6
105.04552	1.7
105.07026	13.6
107.04956	5.1
107.08601	29.5
109.06522	3.6
109.10176	6.1
109.10838	1.2
111.08090	6.4
113.06014	1.3
113.09625	2.0
117.03397	3.9
117.07017	15.9
119.04939	2.6
119.08580	4.4
121.06498	13.1
121.10148	10.8
123.04456	2.5
123.08062	2.1
125.09656	1.9
129.06961	1.9
129.14001	1.2
131.08575	15.2
133.10138	22.2
134.03664	1.3
135.04465	1.4
135.08041	6.1
135.11694	33.2
139.07541	1.3
144.09442	1.2
145.02852	6.4
146.57500	1.1
149.06009	2.9
149.09604	2.7
149.13260	18.5
150.09152	4.8
151.11163	3.1
159.11707	19.4
163.03938	3.1
165.07027	2.4
166.08136	1.3
177.05524	9.0
177.12744	11.1
178.08644	1.3
180.09338	1.7
195.02939	4.6
195.06561	1.2
195.08260	2.4
195.11720	5.8
195.13821	24.0
195.15585	2.3
196.09641	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.35902	1.6
53.03943	8.3
55.01863	6.2
55.05278	1.6
55.05513	20.6
56.96555	4.3
57.03424	5.2
57.07059	2.3
60.57683	1.4
62.05232	1.6
65.03925	4.8
65.97204	1.4
67.05504	73.8
69.03413	2.4
69.07063	17.0
69.80597	6.8
70.06570	1.9
71.04988	6.8
73.02856	1.4
79.05494	68.2
81.03425	19.9
81.07056	100.0
83.04980	34.4
83.08606	9.9
85.06544	4.2
87.91791	1.7
89.03926	4.1
89.06019	6.3
91.05474	40.9
93.07040	86.4
94.07410	1.7
95.04964	15.7
95.08609	57.3
95.85985	1.5
97.06529	19.0
97.10073	1.6
98.20825	2.1
99.08102	3.5
103.05478	2.4
105.04509	1.8
105.07031	18.1
107.04949	6.5
107.07880	2.4
107.08588	32.5
109.06518	7.3
109.10159	5.6
111.08071	6.5
115.05482	1.8
117.03365	8.1
117.07021	18.3
119.08591	7.9
121.02853	4.0
121.06492	12.5
121.10148	14.5
122.05164	1.4
122.35246	1.5
123.04442	1.6
123.08061	4.1
129.07042	1.6
130.96266	2.7
131.08554	15.0
131.96149	2.0
133.10132	20.6
134.25462	1.5
135.04407	2.0
135.08047	7.8
135.11685	35.1
145.02837	14.3
147.11703	2.0
149.05975	6.5
149.09607	4.4
149.13254	20.6
149.97217	3.0
150.09146	6.8
159.11694	19.2
161.81366	1.6
163.03897	5.3
165.05544	2.6
165.06992	5.2
167.07077	3.4
167.08578	2.4
177.05496	18.9
177.06932	2.8
177.12735	14.0
180.09349	6.3
194.47322	1.8
195.02893	8.6
195.06421	3.6
195.08154	5.0
195.10063	3.2
195.11681	10.7
195.13817	25.6
195.15715	4.9
196.16992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	4.9
55.01866	3.7
55.05518	17.7
57.03420	3.6
57.07077	2.8
59.42624	1.6
60.62750	1.8
65.03951	4.5
67.05505	65.4
69.03416	3.6
69.07074	20.3
70.06590	1.9
71.02386	4.4
71.04985	7.3
79.05498	51.0
81.03404	11.9
81.07059	93.9
83.04977	14.1
83.08626	11.1
85.06540	4.1
89.03927	23.3
89.06027	1.8
91.05484	43.1
93.03398	2.2
93.07045	61.2
93.07639	3.4
95.04998	10.1
95.08062	3.0
95.08611	34.5
97.06527	13.7
97.10178	2.3
103.05489	3.4
105.04518	2.5
105.07023	13.2
107.04964	21.5
107.08595	29.0
109.06521	3.1
109.10156	7.3
111.04465	4.0
111.08068	7.0
113.09711	2.2
115.05479	2.1
117.03382	49.0
117.07005	10.8
119.04951	1.9
119.08563	4.7
121.02768	1.8
121.06501	10.4
121.10157	15.9
123.11754	3.2
125.06020	4.5
129.07014	2.5
130.96309	3.3
131.08560	13.6
133.10112	23.5
134.03638	8.2
135.04416	9.6
135.08057	9.6
135.11694	35.2
137.05991	3.7
139.07535	2.6
145.02858	77.9
145.04012	4.0
149.06007	22.1
149.09641	3.9
149.13271	18.3
150.09158	4.4
151.11191	4.5
152.06238	8.4
153.05464	5.0
159.11714	15.8
163.03915	20.5
163.07655	1.9
165.05475	4.6
165.07011	12.8
166.07707	4.7
167.07187	2.7
167.08565	20.8
177.05487	100.0
177.06955	7.4
177.12703	11.3
180.07861	2.0
180.09346	6.6
195.02937	7.4
195.06479	5.1
195.08055	34.3
195.10091	4.1
195.11725	14.6
195.13817	21.1
195.15562	3.2
195.17401	2.0
198.41003	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03954	5.1
53.65550	0.8
55.01870	4.4
55.05514	21.6
57.03447	5.1
57.07060	2.6
65.03928	2.7
65.20747	0.8
67.05505	67.5
69.03436	2.3
69.07069	19.2
69.96648	1.7
69.97062	2.9
71.01358	2.3
71.04997	6.3
73.02918	1.4
79.05496	46.0
81.03420	16.8
81.07059	100.0
83.04982	13.5
83.08622	11.9
85.06538	4.3
91.05484	43.3
93.07047	60.4
93.07543	1.0
95.04961	8.0
95.08607	34.1
97.06531	14.1
98.21465	1.0
99.08096	1.8
105.04535	2.2
105.07033	15.5
107.04972	4.6
107.07889	1.7
107.08597	30.9
109.06534	4.8
109.10146	3.7
111.04362	0.9
111.08088	6.8
113.05989	1.4
115.05465	1.7
117.03374	3.2
117.07024	13.8
119.08569	3.2
121.06505	6.2
121.10139	9.5
121.59621	0.8
123.11722	2.7
125.05955	2.0
129.07011	1.6
131.08572	14.7
133.10136	28.0
134.10510	1.0
135.08084	5.0
135.11697	34.8
137.05980	1.7
144.09323	0.9
145.02890	5.4
148.97359	0.9
149.05998	1.6
149.09540	1.6
149.13258	15.7
151.11171	3.6
152.06184	2.8
153.08998	1.0
159.11707	17.7
159.13000	1.0
163.03906	2.2
165.07025	3.0
167.08559	2.2
177.05478	5.9
177.06868	1.4
177.09013	1.2
177.12737	12.3
195.02921	2.4
195.06499	1.7
195.08043	8.7
195.09969	2.2
195.11771	2.5
195.13792	21.1
195.17366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	6.6
55.01864	4.6
55.05513	21.6
56.34928	1.8
57.03432	8.0
57.07066	2.1
60.71381	1.5
65.03936	3.9
65.28546	1.8
67.05506	67.9
69.03416	4.9
69.07066	17.5
70.06593	2.2
70.08887	3.1
70.09296	4.5
71.01379	3.0
71.04993	9.7
71.08622	2.1
74.38106	1.5
79.05027	2.1
79.05493	55.2
81.03421	28.9
81.07057	100.0
82.09100	1.9
83.04984	23.5
83.08616	9.2
84.08181	1.8
85.02882	3.7
85.06542	3.8
85.33421	1.7
87.04442	2.2
89.03911	6.3
89.06028	8.5
91.05483	38.9
93.07044	74.4
93.07639	3.9
95.04961	14.2
95.08607	42.0
97.00518	1.9
97.06525	16.9
97.10190	3.6
99.04485	1.6
99.08083	2.9
103.05457	4.1
105.04551	3.0
105.07036	17.1
106.04121	2.0
107.04967	10.1
107.08583	28.7
109.06509	6.3
109.10151	7.7
109.40399	1.9
109.44442	1.6
110.06036	1.5
111.08075	7.3
117.03372	9.9
117.07041	12.9
119.04945	4.9
119.08588	5.4
121.06506	12.1
121.10152	14.3
123.04419	6.4
123.08056	2.3
131.08582	16.3
133.08539	2.5
133.10123	19.3
135.04475	3.2
135.07007	2.3
135.08070	8.5
135.11685	38.9
137.09677	2.1
139.07526	2.2
145.02856	17.5
147.04465	2.7
149.05981	7.8
149.09628	4.9
149.13269	22.1
150.09167	11.8
151.11215	2.6
159.11707	18.3
163.03928	5.6
165.05571	3.4
165.07033	5.7
167.08540	3.6
171.98952	2.3
177.05479	23.9
177.12770	18.2
180.09364	5.3
186.05542	1.9
195.02805	9.3
195.08142	5.4
195.10080	3.3
195.11694	10.1
195.13818	24.7
195.15611	3.3
195.17435	3.5
196.09686	2.7
199.74875	1.7
206.80849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	6.3
53.65408	1.3
55.01865	4.7
55.05511	15.1
57.03431	5.0
57.07076	2.6
59.74158	1.4
65.03941	5.7
67.05506	67.9
68.99783	2.0
69.03439	4.5
69.07069	16.7
69.31544	1.5
70.06585	3.1
71.01367	2.5
71.04994	6.7
71.48022	1.7
75.08300	1.5
77.03919	2.3
79.05493	43.8
81.03416	11.9
81.07057	100.0
83.04976	12.8
83.08637	7.9
84.08148	1.6
85.06541	3.4
87.04486	1.7
89.03926	6.8
89.06023	2.4
91.05483	37.9
93.07048	68.6
95.04977	8.0
95.08607	45.9
97.02851	1.6
97.06532	11.7
98.06039	1.5
99.04477	1.7
99.08076	1.9
103.05495	2.1
105.04498	1.9
105.07046	11.6
107.04974	7.8
107.08593	28.6
109.06515	3.4
109.10143	4.6
111.04446	1.9
111.08108	6.5
113.06070	1.9
117.03401	14.6
117.07001	10.2
119.04945	2.4
119.08594	3.3
121.06525	7.9
121.10126	10.2
123.04421	3.4
123.08129	2.1
123.11678	2.0
130.96321	4.2
131.08562	12.0
133.10132	19.7
134.03596	1.9
134.10570	1.7
135.04401	4.1
135.08064	4.2
135.11684	44.1
137.05977	3.2
137.13274	1.9
139.07564	2.6
145.02856	25.4
147.04364	1.8
148.97328	2.6
149.05971	7.8
149.09595	3.7
149.13266	19.9
150.09169	10.4
151.11205	2.1
152.06186	4.0
153.05495	2.2
153.97952	2.3
157.42999	1.6
159.11687	19.3
163.03886	6.3
164.62190	1.4
165.05560	3.5
165.07024	8.6
166.07793	1.3
167.07233	1.6
167.08525	7.6
171.60802	1.6
177.05481	29.6
177.06874	2.0
177.09149	1.6
177.12732	18.5
177.16371	3.0
180.05615	1.5
180.09361	5.1
195.02925	9.3
195.04567	1.3
195.06490	3.7
195.08063	16.3
195.10005	3.2
195.11729	9.5
195.13818	21.4
195.15541	2.8
196.09694	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03941	0.6
55.01880	2.7
55.05508	0.5
65.03938	1.9
67.05504	2.7
68.99805	0.3
69.03416	0.3
69.07065	0.4
70.61269	0.3
70.95850	1.2
71.01362	0.3
71.04985	0.4
71.47977	0.4
72.93793	0.6
73.02918	21.2
77.03909	0.6
78.46807	0.2
79.05495	0.8
80.02644	0.3
81.03445	0.3
81.07065	0.9
81.65877	0.2
83.05006	0.5
84.04488	0.2
85.02896	0.6
85.06538	0.3
91.05488	3.1
93.03398	1.2
93.07020	0.7
95.04977	1.9
95.08607	0.6
97.06500	0.3
97.75625	0.3
105.07026	0.8
107.04900	0.4
107.08596	0.9
108.02115	1.7
109.02837	0.4
109.06513	0.6
109.10139	0.5
110.03665	2.5
111.04440	1.1
111.98515	1.4
112.01615	0.3
115.05407	0.2
117.03383	0.3
119.04955	2.0
119.08586	0.5
120.08967	0.2
121.10099	0.3
121.84286	0.3
123.04459	0.3
123.08087	0.6
125.05995	14.8
132.95851	2.5
133.10106	1.0
135.11697	0.5
136.01572	0.9
137.05981	1.7
137.09610	0.6
141.05487	2.2
147.04416	0.4
149.06000	3.3
150.96896	1.6
151.03912	100.0
151.05017	9.8
151.07433	3.4
152.04257	1.2
155.97427	1.4
161.09608	0.5
169.06418	0.3
173.98552	1.3
179.07022	17.5
179.10660	1.0
179.14351	0.7
197.08087	5.3
197.09781	0.5
197.11682	0.6
198.18546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02372	0.4
51.35170	0.3
53.03941	0.6
55.01641	0.3
55.01874	2.1
55.05505	1.3
56.26006	0.3
57.03447	0.3
65.03950	2.2
67.05505	3.3
69.03416	0.4
69.07063	0.8
69.74148	0.5
69.74543	0.9
70.06599	0.4
70.95869	2.7
71.01368	0.6
71.04989	0.4
72.93781	1.0
73.02918	20.2
77.03899	0.6
79.05499	1.1
81.07052	1.3
83.04974	0.5
84.04507	0.8
84.08144	0.6
85.02896	0.7
85.06542	0.4
86.09681	0.6
91.05486	3.9
92.05840	0.3
93.03419	1.1
93.07024	1.2
95.04978	3.8
95.08601	1.3
97.02901	0.3
97.06542	0.7
98.21403	0.6
99.04477	0.4
105.07024	1.4
107.08586	1.8
108.02083	2.4
109.02834	0.5
109.06502	1.6
109.10156	0.9
110.03671	2.3
111.04451	1.5
111.98462	2.5
112.01572	0.5
113.96436	0.5
119.04939	2.3
119.08582	0.7
119.59215	0.3
121.06501	0.5
121.10155	0.4
121.13630	0.3
123.04425	0.8
123.08080	1.1
124.13773	0.3
125.05996	15.7
127.03873	0.4
129.99500	0.7
132.95834	5.5
133.02881	0.4
133.07603	0.4
133.10121	2.3
135.11699	1.3
136.01595	0.4
137.05971	2.3
137.09622	1.2
141.05467	2.2
141.07048	0.6
147.04414	0.4
148.15117	0.3
149.06027	2.0
150.96896	4.5
151.03911	100.0
151.05016	10.3
151.07452	3.6
151.11154	0.7
152.04248	1.1
152.07033	0.5
155.97429	3.0
161.07133	0.7
161.09634	1.7
169.10262	0.5
173.98518	3.4
179.06981	16.6
179.10550	2.4
179.14287	0.8
197.06177	0.6
197.08067	5.5
197.09715	0.4
197.11745	0.9
197.13333	0.4
197.15399	0.4
198.18498	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	197.0963
Annotation	trans-4-Hydroxystilbene
Peak:m/z	Relative Intensity
53.03941	1.0
54.73209	0.6
55.01875	3.4
55.05511	1.0
56.03070	0.5
57.07108	0.6
65.03937	2.4
67.05493	1.8
69.03422	0.9
69.07059	1.4
70.06977	2.3
70.95872	3.1
71.04984	1.1
72.93775	1.3
79.05487	2.6
81.07053	3.3
83.04996	0.6
83.08617	0.8
86.06078	0.7
89.32961	0.5
91.05482	99.8
92.05802	0.6
93.07061	1.4
95.04972	2.4
95.08610	2.5
97.06521	1.0
103.05466	23.5
104.06253	2.1
105.03407	5.4
105.04535	0.6
105.07033	2.2
107.08605	4.3
109.06522	2.2
109.10135	1.4
111.08109	0.8
111.98463	3.3
115.05450	1.3
117.05743	1.0
119.04944	100.0
119.08642	1.1
120.05225	0.8
121.06434	0.6
121.10171	0.9
127.61542	0.5
128.06186	0.8
129.07008	2.0
129.99487	1.0
132.06837	1.4
132.95850	6.6
133.10132	4.4
135.11705	1.9
137.05986	2.0
137.09636	0.8
139.10257	0.5
141.06995	8.1
143.08614	0.5
150.96889	6.0
151.03896	0.9
151.07455	0.5
152.00778	0.7
152.06142	1.2
153.07013	2.5
154.02386	0.6
154.06612	0.7
154.07784	5.4
155.01836	2.8
155.08524	4.4
155.97409	4.4
161.09654	1.7
165.05635	0.8
165.07004	1.5
167.08545	6.4
169.06462	1.6
169.10132	6.8
173.98508	4.6
177.06995	1.9
178.07784	36.0
179.08557	25.7
179.10638	3.5
179.14336	0.7
180.00177	0.7
181.06488	4.9
182.07266	11.5
182.10956	1.9
195.08096	1.7
197.02931	6.6
197.05766	3.5
197.09642	38.0
197.11641	3.2
197.13297	4.9
197.15202	0.9
198.11305	2.3
198.18556	5.4
207.09251	1.0
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
53.03928	0.9
54.17055	1.0
55.01870	1.9
55.05500	3.3
57.03419	1.5
57.07084	1.3
59.04989	2.4
61.54507	0.9
67.05501	5.2
69.03425	1.6
69.07061	1.8
69.69367	5.7
79.05500	6.9
81.07043	7.8
83.04994	1.2
85.06524	2.0
91.05486	20.0
93.07047	24.4
95.04967	12.1
95.08575	2.6
97.06509	1.7
103.42753	1.2
105.07037	30.8
107.08597	69.3
109.06512	4.7
109.10158	8.4
111.98471	1.2
117.07010	2.6
118.07801	1.2
119.06053	1.4
119.08568	7.9
121.06497	7.8
123.04447	3.1
123.11725	3.6
125.06008	1.6
131.08595	2.0
132.95872	1.2
133.10130	73.4
135.11694	51.7
135.12741	2.5
137.05974	3.5
137.09555	5.8
143.08588	1.7
146.07275	2.2
150.96863	1.3
151.11176	5.1
161.09624	36.3
179.10675	100.0
180.10962	1.8
195.58612	1.1
197.11737	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01876	1.3
55.05508	1.1
61.02928	1.0
65.66637	0.8
67.05502	2.5
67.74752	0.6
69.03441	1.6
70.61647	2.0
73.02921	0.7
79.05488	7.5
81.07069	7.8
81.79119	0.7
91.05486	14.2
93.07048	19.1
95.04963	1.6
95.08620	3.4
95.09167	0.9
97.06512	1.3
99.04456	0.8
105.07035	27.5
107.08596	100.0
108.08962	0.9
109.06493	3.4
109.10148	5.8
117.07029	1.6
119.04945	1.6
119.06011	0.8
119.08586	14.9
121.06506	2.8
121.10150	15.4
123.04424	0.7
123.08054	2.5
123.11693	4.3
125.09628	0.9
128.06213	0.9
131.08565	3.5
132.05850	0.7
132.95793	1.0
133.06523	1.1
133.10135	56.0
135.11679	2.3
137.05974	2.5
137.09615	2.6
139.07553	3.5
143.08554	2.9
144.14331	0.7
146.07246	1.1
149.09612	9.7
151.07524	1.8
151.11191	17.8
161.09622	17.7
167.10687	23.7
167.12108	1.3
179.10675	34.3
184.06413	0.7
188.28189	0.7
197.11720	46.2
201.47382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.40478	1.2
53.03939	2.1
53.24053	1.1
55.01857	3.8
55.05503	4.9
57.07067	2.0
59.05001	3.2
65.82291	1.2
67.05501	13.8
69.03429	7.6
69.07060	4.7
69.87776	4.4
70.95867	10.4
71.04995	4.2
72.59023	1.1
72.93796	5.9
74.37610	1.1
79.05493	8.7
81.03421	14.7
81.07060	24.9
83.04989	3.4
83.08601	2.3
84.04500	2.2
84.08160	1.7
85.06516	2.5
90.94848	1.3
91.05486	20.8
93.07052	24.8
95.04971	21.7
95.08609	13.5
97.02971	1.6
97.06528	3.1
97.10139	1.5
98.21459	1.4
99.04433	1.5
99.08072	2.1
105.07042	27.1
107.04950	1.7
107.08602	45.1
109.06523	27.6
109.10162	30.4
111.08076	2.9
111.98481	11.3
115.05526	2.5
115.06318	1.2
119.04948	5.0
119.06091	1.6
119.08575	14.9
121.06511	4.9
121.10155	5.4
123.04418	5.8
123.08096	8.9
123.11685	6.1
125.05986	2.5
129.99490	2.9
131.08525	2.2
132.95842	22.1
133.09125	2.7
133.10132	55.3
135.08047	1.7
135.11716	23.1
137.05991	8.2
137.09630	24.8
141.07011	4.9
143.08585	2.3
150.96877	18.5
151.03886	4.5
151.07559	2.9
151.11189	33.5
154.07793	1.9
155.08511	3.7
155.97395	12.0
156.09325	1.3
161.09636	24.9
161.13358	1.4
165.05505	1.4
167.08546	2.8
167.10689	1.8
169.06464	1.9
169.10133	5.1
173.98488	13.6
178.07797	2.2
179.05437	2.8
179.08691	3.2
179.10677	100.0
182.07295	3.1
182.10963	2.6
197.05965	8.1
197.07967	1.9
197.09647	13.0
197.11726	35.0
197.13286	5.7
197.15262	1.6
198.18546	11.2
211.39937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	1.1
55.01868	1.2
55.05497	2.6
57.07076	1.2
59.04988	3.4
65.03956	0.8
66.54061	0.8
66.71208	0.7
67.05511	5.5
69.03430	1.1
69.07068	1.7
69.24818	1.6
69.25225	5.7
70.95831	1.2
75.54462	0.7
77.03914	1.5
78.15230	0.8
79.05499	6.6
80.26077	0.8
81.07063	7.8
83.04988	1.1
83.53477	0.8
85.06537	1.1
91.05488	20.9
93.07047	28.4
95.04984	8.4
95.08620	3.8
97.06554	0.9
103.05439	1.1
105.06319	1.6
105.07035	30.6
105.72358	0.9
107.04937	0.8
107.08601	67.2
109.06528	6.1
109.10176	6.3
111.98518	1.0
113.06015	1.2
117.07060	1.2
119.04910	3.1
119.06113	1.9
119.08574	8.2
121.06523	5.1
121.10164	0.9
123.04420	3.7
123.08078	0.9
123.11707	2.8
126.05505	0.8
128.25424	0.9
131.08539	2.4
132.95822	2.7
133.06519	1.4
133.10139	74.0
135.08041	1.7
135.11700	57.6
137.05959	2.9
137.09662	4.6
143.08565	1.0
146.07265	2.2
150.96936	2.0
151.11169	6.3
155.97437	2.2
161.09631	33.0
173.98547	1.2
179.10683	100.0
197.11739	72.3
198.18576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.02316	0.5
53.03876	3.2
55.01805	2.8
55.05441	2.8
57.03370	0.8
57.07014	0.6
57.93524	0.9
65.03894	0.8
67.05431	4.6
69.03365	1.4
69.06989	2.8
70.06516	3.1
70.07359	0.5
71.48459	0.5
72.04460	0.9
72.08100	1.1
72.93734	0.6
74.09642	5.1
75.94537	1.2
77.03865	0.8
79.05495	21.2
79.05913	1.4
81.03352	0.7
81.07058	6.8
83.04918	1.7
83.08550	1.6
84.04444	0.5
84.08922	0.5
85.02855	0.8
86.09708	15.7
87.04551	0.5
87.66063	0.4
91.05484	17.5
93.07048	37.0
93.07617	1.3
94.06546	0.5
95.04968	6.5
95.08611	2.1
97.02837	0.7
97.06557	2.8
98.97521	1.2
99.04386	0.6
100.07533	1.4
103.05476	2.6
105.03358	1.0
105.04509	2.4
105.06977	1.3
107.04940	2.4
107.08589	1.0
109.06441	1.9
109.10083	1.4
110.07133	0.4
111.04469	4.2
111.08083	3.3
116.96423	0.6
116.97224	9.7
116.98544	0.8
119.08507	0.6
121.06508	43.4
123.04378	1.3
123.07235	0.8
123.08076	14.2
125.05925	1.3
125.09615	0.8
128.06221	1.1
131.04868	0.5
131.99541	3.2
134.95818	1.6
135.08047	0.5
135.11649	1.0
136.07564	1.5
137.05984	0.6
137.09581	0.9
139.07545	31.6
139.11183	0.6
140.04677	1.4
148.96213	0.7
149.04790	0.8
149.05980	15.2
152.96921	3.1
153.06741	0.5
155.07079	0.9
157.97496	1.0
163.05765	0.5
163.11179	1.7
164.07083	0.8
167.07043	100.0
168.07375	0.8
171.08049	1.1
171.11574	0.5
175.98532	7.9
175.99954	0.8
181.06749	0.5
181.08554	2.0
181.12135	0.5
182.08141	3.7
184.05394	0.6
185.08138	1.8
198.99258	0.9
199.03976	1.0
199.05978	0.6
199.07590	3.8
199.09531	1.0
199.18913	19.6
202.18018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01877	11.9
55.05514	55.9
56.05851	1.7
56.86726	1.4
56.94306	3.9
57.03440	5.3
57.07075	5.2
59.04997	4.6
65.03932	1.8
67.05512	35.7
69.03429	17.2
69.07072	36.0
70.06591	6.4
70.07406	2.6
71.04998	6.2
71.48451	2.4
72.08152	6.7
72.93782	7.4
73.02918	3.2
74.09728	18.0
79.05505	13.9
79.71809	1.6
81.03430	2.7
81.07059	34.2
83.04992	18.9
83.08616	7.2
84.08131	2.1
84.08949	2.2
85.02905	6.4
85.06548	34.3
86.09704	25.1
87.04449	1.7
90.94825	4.0
91.05484	9.6
93.05817	2.1
93.07053	34.7
94.06543	2.3
95.04970	24.0
95.08616	13.6
97.02899	2.8
97.06532	27.5
99.04475	7.6
99.08109	4.3
100.07610	3.7
101.02384	2.1
101.06022	37.1
105.07030	5.7
107.08602	21.1
109.06522	11.4
109.10165	23.4
111.04464	8.6
111.08088	39.0
113.06010	5.9
116.97234	5.1
117.07006	3.5
119.08584	9.9
121.06557	2.5
121.10151	50.8
122.06042	12.0
123.08112	2.5
123.11687	8.2
125.05993	4.7
125.09646	2.7
127.07560	75.8
128.06236	3.3
128.07829	1.5
129.05493	10.8
129.07013	2.1
132.95863	6.4
135.08046	2.8
135.11725	27.2
136.07576	5.3
137.09583	3.6
139.07565	8.2
139.11188	100.0
140.04698	5.2
140.07039	11.3
142.07878	2.0
143.08601	4.7
144.95915	1.7
145.10118	17.6
153.12752	45.1
156.05797	1.6
157.10129	4.6
158.97391	3.7
162.96915	2.0
163.11186	22.2
164.07042	2.9
169.10094	2.1
171.11653	3.0
175.98502	3.1
181.05130	1.8
181.07515	3.1
181.12250	30.9
182.08160	8.4
184.12401	1.6
187.53061	5.8
193.48354	1.5
198.96858	2.2
199.07478	3.4
199.11382	3.0
199.13300	16.0
199.14888	7.0
199.18898	68.6
200.09213	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	199.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01877	11.3
55.05515	48.9
55.18103	1.3
55.89983	1.4
56.96563	1.9
57.03439	2.9
57.07086	8.2
58.06605	1.8
59.04995	5.7
61.02909	1.9
65.03931	2.1
67.05510	28.7
69.03432	17.3
69.07070	37.6
70.06585	4.7
70.95849	2.3
71.04987	6.1
71.47998	1.4
71.48378	1.8
72.04513	2.4
72.08148	6.7
72.93784	3.1
73.02906	3.2
74.09722	13.3
79.05492	16.4
81.07057	30.3
83.04993	16.6
83.08628	7.8
84.08978	1.7
85.02907	6.8
85.06548	32.9
86.09710	53.5
91.05484	6.9
93.07046	32.2
95.04993	7.4
95.08617	11.1
97.06540	26.7
99.04470	6.7
99.08104	4.6
100.07606	4.4
101.02392	5.7
101.06025	34.5
105.07025	8.8
107.08606	21.9
109.06528	12.1
109.10166	17.7
111.04482	8.2
111.08087	33.8
113.05984	9.1
115.05467	3.4
116.97233	10.3
117.07021	2.6
119.08588	8.2
121.10152	51.7
123.04488	1.5
123.08052	2.6
123.11710	9.2
125.06005	8.3
125.09625	3.4
127.07568	64.1
128.06227	9.3
129.05489	7.6
129.06966	2.4
133.06528	2.3
135.08092	1.9
135.11693	21.7
137.09644	3.4
139.07555	8.4
139.11189	100.0
140.04703	4.8
140.11578	1.8
141.07016	3.0
142.07814	5.6
143.08577	9.7
145.06673	1.6
145.10124	12.4
152.96933	2.5
153.05539	1.6
153.06973	2.2
153.12747	38.8
155.07184	2.0
155.08522	1.7
156.09373	3.7
157.06590	4.4
157.08981	1.6
157.10144	8.7
163.11162	19.9
164.07028	1.9
168.05667	1.9
169.10164	1.6
171.08096	4.3
171.11743	5.2
175.98558	4.3
181.04970	5.2
181.07539	2.6
181.12236	27.3
182.08205	8.1
184.05269	3.5
184.12534	3.9
199.03870	2.3
199.07532	21.9
199.11220	9.7
199.13316	15.1
199.14929	10.1
199.18915	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	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01875	15.7
55.05513	60.2
56.96557	2.4
57.03418	6.1
57.07055	7.3
59.04981	5.5
59.74408	1.7
65.03915	1.7
67.05512	20.4
69.03134	1.7
69.03429	15.4
69.07072	58.6
71.05006	13.9
71.08611	1.8
71.48384	2.4
71.48755	2.8
72.04501	2.9
73.02914	10.3
74.09722	13.6
79.05496	16.7
81.07066	31.8
83.04985	20.1
83.08612	10.5
85.02909	24.5
85.06544	39.8
86.09710	18.5
91.05487	8.3
93.07047	36.6
95.04965	3.4
95.08608	12.7
97.06534	30.1
97.10111	2.3
98.97532	2.2
99.04468	9.5
99.08086	5.0
100.07604	4.4
101.02379	22.9
101.05411	2.2
101.06024	33.2
105.07040	9.5
107.08589	26.8
109.06557	10.4
109.10158	22.4
110.58182	1.9
111.04433	10.5
111.08089	23.4
113.06006	27.1
115.05444	5.4
116.97235	8.1
119.08591	12.6
121.10146	65.6
123.08102	1.6
123.11724	12.4
125.05989	23.6
125.09647	3.3
127.06654	3.8
127.07564	70.1
128.06244	19.1
129.05443	7.5
129.06975	4.8
131.07053	1.9
131.99522	2.0
134.95840	1.9
135.11684	24.3
136.07500	2.7
137.09619	2.6
139.07507	5.8
139.11188	100.0
140.04765	3.0
141.06947	7.5
142.07825	8.3
143.08556	14.3
145.10114	8.2
151.39380	1.6
152.06152	2.7
152.96924	1.7
153.07014	3.3
153.12753	52.9
155.05968	2.0
155.08484	2.3
156.05704	15.6
156.09329	5.7
156.32494	1.7
157.06462	2.8
157.10135	20.0
163.11214	20.6
163.14859	2.2
168.05736	2.9
169.10124	6.0
170.10890	3.3
171.04372	3.9
171.07999	5.8
171.11650	10.8
175.98518	4.7
178.05000	3.5
181.12267	32.0
182.08127	6.0
184.03676	2.4
184.05212	24.5
184.12550	8.3
195.72540	1.6
199.07516	62.2
199.11165	6.3
199.13211	12.6
199.14824	31.8
199.18896	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05512	0.9
56.96305	1.0
56.96572	19.1
57.03438	3.2
60.05661	0.9
61.02922	5.1
67.61752	0.7
69.03429	3.6
70.06618	3.5
70.89524	1.5
70.98117	0.8
71.95268	1.8
72.08157	3.1
73.02930	6.9
81.03422	2.0
83.06119	0.9
84.04507	3.3
84.08138	3.3
84.96046	2.8
85.02910	5.9
86.09718	2.9
89.00822	1.3
91.04001	0.9
95.00794	1.2
97.02904	4.3
98.97595	100.0
99.04428	1.0
101.00814	4.1
104.01305	1.3
107.00748	0.7
108.04533	1.0
109.02908	1.2
110.01283	4.8
110.97583	8.0
112.99192	1.3
115.00713	1.2
116.01273	1.3
116.98634	37.3
117.02097	1.6
119.01858	6.3
122.01272	0.9
124.99123	1.6
125.01779	1.6
126.98811	1.5
127.03935	2.3
128.01419	0.8
128.02351	1.9
128.98602	4.8
129.10222	3.5
131.01869	2.3
132.02618	0.8
133.01714	0.8
134.02289	0.9
134.99675	8.9
137.01807	1.4
140.00204	1.7
140.02316	2.6
140.98615	2.3
142.01802	0.8
142.03453	0.8
143.00148	1.0
143.01825	1.8
143.43123	0.7
144.99861	1.9
146.02310	3.8
146.99699	2.3
149.02881	1.1
152.02336	1.9
152.98775	1.1
155.02858	3.7
158.01273	1.4
158.99658	8.6
161.01373	0.9
161.02882	3.6
164.03352	1.0
168.01463	2.3
170.03409	2.8
170.99643	4.0
175.12004	0.8
177.00755	6.5
177.02505	3.7
182.04564	1.8
182.99724	1.0
188.05972	0.8
189.00768	3.0
191.03827	1.8
195.01894	1.1
197.06438	0.9
200.04221	3.0
201.00798	3.1
219.01837	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	200.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01888	2.6
55.05502	0.6
56.05033	1.0
56.96568	25.2
57.03438	7.1
60.05650	0.7
61.02701	0.5
61.02933	6.1
69.03436	7.6
69.07063	0.5
69.34289	2.3
69.34727	2.5
70.06591	4.5
70.98118	1.9
70.99871	1.5
71.01361	1.0
71.04983	1.5
71.95264	3.0
72.08153	4.6
73.02921	13.4
74.00267	0.8
74.03230	0.6
74.97709	0.5
81.03417	2.7
82.01457	1.6
83.00785	2.1
83.06099	0.9
84.04501	2.4
84.08146	4.7
84.96038	3.9
85.02912	14.9
86.03692	1.0
86.07226	0.6
86.09721	3.3
87.01006	0.6
87.04486	1.3
87.99386	0.5
88.99164	0.6
89.00803	2.8
91.02473	0.8
91.05491	0.7
92.01272	0.7
95.00785	2.1
96.01553	1.3
97.02897	8.9
97.96831	1.6
98.01289	1.1
98.21462	1.1
98.97591	100.0
99.04467	1.7
99.97921	0.8
100.02502	1.4
100.67215	0.6
101.00819	5.1
101.02393	0.9
103.00530	0.9
103.03928	0.7
104.01291	3.9
107.00782	0.8
108.01517	1.5
109.02876	2.1
110.01283	12.0
110.07175	1.3
110.97577	17.7
111.02056	1.1
112.99141	1.5
113.00854	0.9
113.01774	0.8
115.00696	0.5
115.02384	1.4
115.03959	0.8
116.01296	3.6
116.98626	33.4
117.02068	2.0
119.01827	15.6
119.51990	0.9
122.01305	1.4
123.02043	1.4
124.02474	0.8
124.99168	2.7
125.01793	4.2
126.97089	0.9
126.98795	2.8
127.00710	1.0
127.03936	4.1
128.01379	1.2
128.02342	5.2
128.98605	10.7
129.02112	1.1
129.10255	4.0
131.00203	1.0
131.01894	3.7
131.51889	0.7
133.01738	1.0
133.03479	2.1
134.02332	1.9
134.99663	7.0
136.07617	0.8
136.99094	0.6
137.01797	2.8
137.02832	1.0
137.05994	0.9
138.02568	0.8
140.00188	1.6
140.02316	3.8
140.98567	3.5
141.93094	0.6
142.03520	1.2
143.00163	4.3
143.01811	3.0
144.98131	0.9
144.99838	3.1
146.02318	7.0
146.99629	3.4
147.01312	0.7
147.03125	1.0
148.03879	0.8
148.54095	1.1
149.02856	2.3
150.00366	0.9
152.02278	3.6
152.98637	0.7
153.03177	0.8
154.02007	0.8
155.00197	1.2
155.02837	8.2
155.53064	1.3
158.01254	1.7
158.99670	14.4
159.01183	0.8
161.01343	1.4
161.02885	6.9
163.02713	0.9
164.03473	2.2
168.01466	3.5
168.03682	0.9
169.02663	0.7
170.03348	3.4
170.99680	6.5
173.01215	0.6
173.02881	1.1
175.11954	1.0
176.02316	0.8
177.00751	10.1
177.02484	5.6
182.03255	1.6
182.04582	1.6
182.99712	2.5
183.08507	1.0
189.00703	5.5
191.03891	2.8
195.01793	1.1
200.04070	4.4
200.13985	0.7
201.00737	6.0
206.07092	0.7
213.00816	0.7
219.01802	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	200.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.05842	0.5
56.55824	0.5
56.96586	0.5
67.05510	1.0
69.07076	1.4
70.06597	100.0
70.64622	0.7
70.64974	0.8
71.06928	0.6
72.08155	3.5
74.06081	0.8
74.09720	0.6
79.05511	0.4
80.47913	0.5
81.07071	0.7
84.08153	1.8
85.02876	0.7
86.09711	5.0
87.00834	0.6
87.08124	0.8
87.10062	0.5
91.05453	1.0
93.07058	0.6
95.05000	0.6
95.08622	1.1
98.97605	2.0
116.98646	1.1
117.07043	0.5
118.96793	0.6
122.06053	1.4
129.06583	0.7
137.64238	0.4
140.07080	1.1
145.06508	0.5
154.08696	1.5
182.08200	1.8
182.11697	0.7
183.08542	0.6
185.05701	0.5
200.09224	0.6
200.10994	1.0
200.12910	2.7
200.16498	0.6
200.19283	1.7
201.05533	0.9
201.09247	0.7
201.16405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0339
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
65.03945	0.5
69.54600	0.4
70.03677	2.0
91.05474	4.1
98.20789	0.5
103.05487	1.6
107.01893	0.5
119.04961	0.8
119.62791	0.4
126.10986	0.4
129.03404	2.5
131.03947	0.5
131.04924	12.5
147.04413	65.2
148.04803	1.0
148.22090	0.4
157.02888	0.8
159.04407	5.3
175.03925	15.2
185.02330	1.2
203.03395	100.0
204.03757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02399	0.3
53.03945	0.5
55.05508	0.5
60.04519	0.7
65.03941	0.5
67.05499	1.0
69.07060	0.6
69.92045	1.0
70.06610	0.2
77.03912	0.2
79.05497	0.4
81.07070	1.5
81.57423	0.2
84.04507	0.4
91.05483	5.6
91.06033	0.4
93.07044	1.1
95.04960	0.4
95.08594	1.9
96.04502	0.5
97.02895	0.5
102.04662	0.2
103.05482	2.2
105.03382	0.4
105.07037	2.7
107.04959	0.4
107.08596	0.9
109.10136	1.1
114.05510	0.2
115.05468	0.3
117.07021	0.6
119.04959	1.5
119.08588	2.3
121.02847	0.6
121.06583	0.3
121.10169	1.0
122.47433	0.2
123.11698	0.3
126.05560	0.3
128.06227	0.6
129.03363	3.1
129.07031	0.6
131.04929	12.5
131.08583	0.6
133.02867	0.4
133.06516	0.4
133.10130	1.8
135.11725	0.2
142.07777	0.6
143.08606	1.0
145.10144	1.1
147.04413	62.6
147.08090	0.8
147.11697	2.1
148.04773	0.7
151.03975	0.2
157.02895	1.0
157.06520	0.6
157.10158	0.8
159.04411	4.6
159.05655	0.4
159.08038	0.4
159.11722	0.5
160.05150	0.6
160.08875	0.2
161.06055	0.6
161.09637	0.6
161.13280	0.8
172.03951	0.3
174.06824	0.3
175.03918	14.8
175.07352	1.0
175.11177	0.5
175.14714	0.3
185.02353	0.8
185.06029	0.5
185.09598	0.4
185.13295	0.5
188.04718	0.9
188.08315	0.5
203.03398	100.0
203.07120	2.4
203.10571	2.6
203.14275	3.2
203.17958	2.6
204.03674	1.4
204.06636	0.2
204.08922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96587	1.7
57.03433	1.7
60.04518	4.1
61.02911	2.3
63.76584	1.5
70.06603	25.9
70.99239	4.3
71.06112	5.1
72.08159	1.5
72.15124	1.5
72.61730	1.6
73.02899	4.3
79.62479	1.6
80.08573	1.7
82.65933	1.4
82.99854	3.8
84.08150	2.3
85.02907	3.4
86.06059	1.8
86.09699	3.9
88.08767	5.7
94.93011	5.3
95.35184	1.5
97.02901	2.7
97.78572	1.6
98.97565	2.2
101.00887	22.9
113.00835	1.9
116.07095	19.4
119.01148	2.3
119.01920	20.5
119.50290	1.5
127.03951	1.8
128.47693	1.7
128.98578	1.7
131.01909	5.0
135.33832	1.9
143.01912	27.7
143.08980	5.1
145.03459	1.6
147.57790	1.4
155.01917	4.0
157.03455	3.1
158.12900	2.9
161.02977	32.7
173.02951	4.3
185.02986	3.7
202.89149	3.9
203.05295	100.0
203.15096	9.0
204.05862	1.6
221.05026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	Setarin
Peak:m/z	Relative Intensity
53.03934	0.6
53.88212	0.4
55.05503	0.6
57.07059	1.0
60.04501	0.7
60.21199	0.3
65.03936	0.9
67.05495	1.0
68.05021	0.6
68.99790	0.5
69.07050	0.6
69.79913	0.9
69.80341	1.5
79.05473	1.1
81.07043	1.7
82.37653	0.3
82.66453	0.4
83.08562	0.3
84.04462	1.1
91.05485	16.0
93.07029	1.0
95.08603	1.9
96.04467	0.6
97.02879	0.7
103.05465	0.7
105.07030	3.5
107.04960	16.5
107.08572	1.1
109.10123	1.3
111.25393	0.4
114.05527	0.9
115.05466	0.6
116.65612	0.4
117.07015	0.6
118.04166	9.6
119.04949	26.2
119.08569	3.2
121.10157	0.6
126.05486	1.2
128.06247	0.6
129.06990	1.0
131.04929	1.5
131.08545	0.9
133.02873	0.6
133.06516	0.6
133.10152	3.1
135.04457	2.0
140.87852	0.3
143.08548	0.7
145.10152	0.9
146.03673	0.5
147.04442	4.8
147.08009	1.2
147.11702	3.0
157.10193	0.5
159.04440	1.0
159.08051	4.9
159.75394	0.4
161.09689	0.6
161.13255	1.3
163.03911	35.9
164.04257	0.4
175.03883	1.2
175.07574	0.8
178.02672	0.7
185.13280	0.6
189.51643	0.4
203.03603	7.5
203.07036	100.0
203.14241	2.6
203.17950	3.9
204.07195	0.8
204.08818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48600	0.3
55.01868	0.5
56.96567	2.1
57.03436	0.8
60.04530	0.8
61.02922	0.7
61.49889	0.3
63.26646	0.3
69.03425	0.6
69.07077	1.1
69.13568	2.1
69.13992	1.0
70.06600	1.4
71.01359	0.3
72.08158	0.5
73.02928	0.6
81.03432	0.5
82.99865	0.3
84.04525	0.5
84.08132	1.2
84.96015	0.3
85.02896	1.0
86.09709	100.0
97.02899	1.3
98.97584	3.9
101.00877	2.8
107.04962	1.0
110.97577	0.4
112.07634	0.6
116.07086	0.7
116.98632	0.9
119.01907	3.4
126.05499	0.5
128.98590	0.7
129.10162	0.4
130.06531	18.3
130.08606	0.7
131.01894	0.9
132.10152	0.5
143.00174	0.3
143.01886	2.4
145.03455	0.6
146.99603	0.3
155.01918	0.5
155.04623	1.0
155.54898	0.4
156.06831	0.4
157.03482	0.7
157.07617	29.3
158.08160	0.6
158.99687	0.7
159.99919	0.3
161.02977	3.6
173.02942	0.6
175.23824	0.3
185.03041	0.5
185.07057	1.3
191.03999	0.4
197.48167	0.3
203.03802	0.6
203.05219	0.7
203.08165	16.1
203.13954	1.1
204.08575	0.8
221.05072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05489	0.7
55.09020	0.7
56.96559	3.0
57.03447	0.8
60.04537	3.2
60.98170	0.6
69.03415	0.9
70.06593	1.3
70.31018	0.9
70.31351	1.3
72.08144	1.1
83.04985	0.6
84.04498	1.7
84.08150	1.6
85.02937	1.2
86.09709	100.0
91.05477	1.6
96.04486	1.4
97.02934	1.1
98.21512	0.7
98.97595	3.6
105.06294	0.6
105.07015	0.7
107.04962	2.8
108.05265	1.0
112.24258	0.7
116.98618	1.3
119.04900	0.9
120.08100	1.2
123.51466	0.6
126.05545	1.0
129.10327	0.8
130.06487	1.0
131.04976	1.0
132.10207	76.8
136.77698	0.7
147.04422	10.1
147.08012	0.8
151.00473	0.6
157.02930	0.7
157.06432	0.9
157.13370	10.1
158.99664	1.0
174.70724	0.7
175.03996	3.0
175.07567	1.2
185.12947	0.7
188.96260	0.6
203.03419	7.4
203.05299	1.0
203.06979	1.4
203.10759	0.8
203.13914	3.9
204.08766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
50.44817	0.2
53.03934	0.9
55.01852	0.6
55.05524	1.5
57.03430	0.3
60.04510	0.8
65.03943	0.4
67.05186	0.3
67.05508	4.1
68.05020	0.4
69.07063	1.5
71.04975	0.3
71.28342	0.3
77.03884	0.2
79.05497	6.3
81.03405	0.2
81.07059	5.4
83.04967	0.4
83.08614	0.5
84.04505	0.6
85.06540	0.4
91.05482	9.6
93.07047	5.6
95.04959	0.8
95.08606	3.5
96.04483	0.8
97.02883	0.7
97.06528	0.9
99.08121	0.3
102.75877	0.2
103.05460	0.9
105.04517	0.4
105.07037	11.9
107.04977	1.6
107.08595	1.8
109.06512	0.9
109.10146	0.6
111.08080	0.3
114.05515	0.5
115.05431	0.9
117.07021	5.3
119.04918	0.2
119.08585	7.3
120.08897	0.4
120.96427	0.3
121.02912	0.3
121.06515	4.0
121.10190	1.0
123.08064	0.4
126.05506	0.6
128.06226	2.0
129.06042	0.3
129.07010	5.5
131.04863	0.2
131.08571	3.6
133.06468	0.8
133.10143	2.5
135.08083	1.4
136.27838	0.2
142.07800	0.8
143.08565	5.7
144.09317	0.4
145.10146	1.0
147.04453	0.4
147.08078	2.0
147.11702	1.1
149.09557	0.4
149.34474	0.2
155.06152	0.2
157.06557	0.4
157.10133	2.3
159.11700	2.6
161.05998	0.2
161.09605	1.4
161.13264	0.9
167.05434	0.2
170.11005	0.3
175.03893	0.3
175.11174	0.5
175.14809	1.9
185.05952	0.5
185.13255	6.2
203.03442	1.0
203.14319	100.0
204.08661	0.4
204.14738	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.33226	1.1
53.03940	1.9
55.05513	11.6
57.07065	4.3
60.04518	4.1
60.74094	1.1
67.05508	42.8
68.90433	1.1
68.99770	1.4
69.07071	22.4
70.42928	4.4
71.08621	1.4
74.56139	1.0
79.05487	11.0
81.07056	48.0
81.07530	2.4
83.08625	5.5
83.15295	1.1
91.05487	18.1
93.07047	22.5
93.07632	1.5
95.04929	1.4
95.08609	77.4
96.04487	2.8
97.02914	1.4
97.10184	2.2
103.05467	1.5
105.07032	70.3
107.04958	1.8
107.08598	32.3
109.10158	91.5
115.05458	4.2
117.07007	5.7
119.08583	68.9
121.02907	1.2
121.10143	23.3
123.08003	1.3
123.11710	9.5
126.05521	2.9
128.06126	1.6
129.06996	4.2
131.08591	5.7
133.04967	2.0
133.06485	3.5
133.10130	45.1
135.11674	8.0
142.07773	2.7
143.04922	1.2
143.08540	3.0
145.10127	9.3
147.04417	3.0
147.08002	5.4
147.11693	80.3
157.05069	1.3
157.06490	4.0
157.07646	1.8
157.10123	7.4
159.11697	5.9
160.05170	3.3
160.12476	3.9
161.05984	1.9
161.09607	2.1
161.13257	24.8
161.14613	1.3
175.03810	1.6
175.07515	6.2
175.11235	2.8
175.14859	8.3
185.05995	2.0
185.09659	3.2
185.13277	2.5
188.04655	1.4
202.07674	1.1
203.03368	2.8
203.06937	6.7
203.08673	2.6
203.10638	6.5
203.14461	6.8
203.17960	100.0
204.08725	1.3
204.13786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05495	5.9
57.07076	2.7
60.04535	13.1
60.53608	1.6
61.27369	2.1
67.05510	17.5
68.05013	4.7
69.03422	1.8
69.07072	9.7
70.88168	1.7
70.88518	3.6
77.81930	1.7
79.05492	9.4
81.07059	27.1
83.08642	2.4
84.04512	10.3
85.02892	2.2
91.05479	24.0
93.07052	21.6
95.04964	1.9
95.08616	62.6
96.04494	9.8
97.02901	9.4
97.10155	1.7
103.05487	2.3
105.07043	42.1
107.08600	33.9
109.10168	37.1
110.06017	1.9
114.05534	7.6
117.06994	3.0
119.04964	2.2
119.07744	1.6
119.08584	36.6
121.09360	1.9
121.10160	18.9
123.11692	5.9
126.05553	11.9
129.06982	2.7
131.04935	4.9
131.08507	1.8
133.10146	26.9
135.11653	3.9
138.05499	2.6
143.08537	2.4
144.06541	3.6
145.10106	5.7
147.04404	19.0
147.08040	2.4
147.11697	41.5
159.04375	3.9
159.11711	2.4
160.12459	1.8
161.09619	2.6
161.13255	17.4
168.06519	2.8
168.46967	1.5
171.01337	1.9
175.03944	2.4
175.07500	2.4
175.14825	10.2
185.09723	1.8
185.13326	2.3
203.03416	42.3
203.06998	3.6
203.10600	8.7
203.14362	8.0
203.17972	100.0
204.08620	7.3
204.13878	8.0
204.18289	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	204.1384
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
53.03938	2.5
55.01875	10.1
55.05522	4.2
56.05020	2.0
56.96548	1.5
57.03420	0.8
57.07055	1.0
60.04526	8.6
61.02923	1.2
61.15829	0.7
65.03918	1.4
67.05178	1.3
67.05506	13.7
68.05025	6.2
69.03422	2.4
69.05824	0.9
69.07066	4.3
69.19488	0.7
70.06590	2.9
79.05074	1.3
79.05501	20.5
80.05000	2.5
81.03409	1.9
81.06603	0.8
81.07062	15.5
82.06585	2.4
82.07386	1.5
84.04516	7.5
84.08126	1.3
85.02888	2.6
91.05481	13.1
92.04998	0.8
92.05817	0.7
93.05769	1.3
93.07047	19.8
94.06576	13.8
94.07266	1.1
94.07372	1.0
95.04992	4.2
95.05498	0.6
95.08620	5.2
96.04491	7.3
96.08125	2.7
96.08933	1.9
97.02887	8.0
97.96778	0.7
98.06033	2.0
98.20777	2.7
103.05486	0.8
105.07041	8.5
106.06545	3.1
106.07359	2.1
107.04956	6.7
107.08590	8.2
108.08092	2.6
108.08920	1.2
109.06523	2.7
109.10135	2.2
110.06044	2.4
110.09682	1.2
110.10478	1.7
112.07610	5.6
114.05535	4.7
115.05442	1.9
117.07028	6.3
118.06549	3.1
119.08600	5.6
120.04472	2.5
120.08109	12.6
120.08909	1.1
121.06536	1.7
121.10226	1.0
122.06045	14.4
124.07658	0.9
126.05511	7.9
127.03905	1.4
129.07040	0.9
130.03064	0.7
131.08603	3.3
132.08107	1.3
132.49658	0.8
133.08888	1.8
133.10106	2.3
134.05977	1.3
134.09647	3.6
134.10547	1.3
135.08061	4.2
135.11696	2.7
136.06551	1.0
136.07581	19.7
138.05540	1.4
144.06546	1.4
144.09311	1.4
145.06458	1.1
145.08942	1.1
145.10121	14.7
146.09642	2.7
147.10437	0.9
147.11662	1.1
147.90225	1.0
148.07561	14.4
148.10983	1.0
148.12021	3.3
148.77029	0.7
149.02350	2.7
149.08414	4.0
149.09447	1.1
156.08058	0.7
158.09557	1.0
159.08040	1.4
159.11700	7.2
160.07545	1.8
160.11176	1.5
161.09572	1.0
161.12016	0.9
162.09129	2.2
170.09637	1.2
172.03851	1.1
174.12770	2.6
175.09917	0.9
176.14319	7.5
186.06239	1.0
186.07727	1.0
186.12819	7.1
189.11464	2.2
204.07166	1.3
204.08656	6.0
204.13849	100.0
204.18034	5.3
205.08652	2.4
205.10393	1.4
205.12263	5.4
205.14206	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07058	0.6
57.37740	0.6
65.03944	0.6
66.36986	0.5
68.85715	0.6
70.53905	1.7
74.02441	1.7
85.02911	1.1
89.28400	0.5
91.05492	2.2
97.02908	1.1
109.02867	0.5
115.05432	3.6
117.05762	2.1
117.07008	2.7
118.06548	44.4
120.08117	0.6
128.87297	0.6
130.06528	4.0
132.08095	10.7
134.35118	0.6
142.06560	4.8
143.07318	7.3
144.04414	0.9
144.08093	22.0
144.09250	1.1
145.06531	0.6
146.06015	100.0
147.06361	1.6
147.85423	0.5
149.02339	4.1
159.09184	8.7
160.07602	2.1
170.06032	8.3
171.72577	0.5
188.07074	85.9
189.07378	1.4
205.05083	0.6
205.09784	1.6
205.12051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03950	1.2
55.05512	1.7
56.96563	2.2
57.03421	0.9
57.07069	4.6
60.04526	1.9
65.03936	2.7
67.05499	3.2
69.03420	2.9
69.07056	1.8
71.04990	2.3
71.48849	0.8
79.05507	3.5
81.03426	3.1
81.07055	2.3
83.04984	1.0
84.04521	0.7
85.02919	4.3
91.05486	8.4
93.07037	4.1
95.04971	1.4
95.08617	2.6
97.02895	7.1
98.03237	0.8
98.97588	11.2
99.04462	1.7
103.05461	2.1
105.07037	20.0
107.04961	3.8
107.08580	4.4
109.02877	2.8
109.06538	1.1
109.10195	0.8
111.04465	1.1
115.05414	3.7
116.06245	1.2
116.98631	7.4
117.07014	15.2
119.08576	7.7
121.02876	5.8
121.03951	1.1
121.06501	4.6
121.10126	3.5
123.08077	1.0
123.11705	1.1
127.03918	2.0
127.05865	1.8
128.06239	2.4
129.07014	7.0
130.07799	9.2
131.04951	1.7
131.08566	14.7
133.06596	0.9
133.10149	2.5
134.99652	4.5
135.08054	2.3
135.11714	2.2
138.51680	0.9
140.00208	1.0
143.08551	4.3
144.09343	10.1
145.06477	3.5
145.10127	100.0
146.10757	1.1
147.08044	1.1
147.11702	1.1
149.02347	37.4
149.05972	1.0
149.09589	3.3
149.13243	1.6
155.06116	1.1
157.10155	1.2
158.01231	0.7
159.08040	2.2
159.11696	44.7
161.05948	0.7
161.09612	1.6
163.07507	2.1
163.11197	4.6
173.06061	1.0
175.07652	0.9
177.05513	0.8
177.09062	2.0
177.12776	2.5
187.03864	2.3
187.07593	1.1
187.11166	5.9
190.07718	0.9
190.09863	2.1
205.04970	3.2
205.08438	4.0
205.10243	3.9
205.12250	61.9
205.14119	4.8
205.15895	4.3
205.19547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03954	0.6
55.01870	0.5
55.05508	1.9
56.96551	0.5
57.07077	2.8
60.04509	0.7
65.03939	1.5
67.05499	2.5
69.03435	1.7
69.07063	0.9
69.60284	1.1
69.60690	1.8
71.04996	1.5
77.47056	0.4
78.95267	0.4
79.05500	2.1
81.03417	1.5
81.07063	1.6
83.04996	0.9
84.04486	0.7
85.02896	2.4
85.04832	0.8
89.85886	0.4
91.05477	7.4
93.07053	3.3
95.04992	1.0
95.08614	1.1
96.04542	0.5
97.02908	4.3
98.03201	0.4
99.04462	1.0
103.05495	1.7
103.87517	0.4
105.07033	16.9
107.04949	1.6
107.08582	2.6
109.02898	1.4
109.06512	0.6
109.10133	0.9
111.04444	0.9
112.53767	0.4
113.05936	0.4
113.96388	0.9
114.11015	0.5
115.05429	4.5
116.05401	0.4
116.06237	0.8
117.07024	18.7
118.80370	0.4
119.08581	7.1
120.09002	0.4
121.02881	2.8
121.03828	0.4
121.06516	2.9
121.10146	2.1
127.03920	1.0
127.05907	0.7
128.06212	1.1
129.07004	4.8
130.07791	9.6
131.04906	2.7
131.08577	13.7
131.97501	0.6
133.10146	1.5
135.04414	0.8
135.08063	1.4
135.11691	1.0
143.08548	3.7
144.09346	9.3
145.06488	9.1
145.10127	100.0
146.10857	2.0
147.08096	1.0
149.02347	18.3
149.04945	0.9
149.06015	1.1
149.09587	1.1
155.06049	0.6
157.10164	1.4
159.04446	1.0
159.08090	1.0
159.11699	44.5
161.06007	0.6
161.09615	0.7
163.03920	0.9
163.07549	2.4
163.11226	4.6
169.06870	0.5
169.10248	0.7
172.08817	0.8
173.06084	1.0
177.05562	0.5
177.09085	2.6
177.12769	1.9
187.03943	1.8
187.07516	0.4
187.11168	4.0
187.14757	0.5
190.09781	0.8
205.03946	2.4
205.05287	0.8
205.08746	2.5
205.12244	50.3
205.13976	2.6
205.15919	2.4
206.12605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03943	1.6
55.01856	1.8
55.05512	6.5
57.03416	1.7
57.07078	2.1
60.14000	1.3
60.14294	1.1
65.03918	1.2
66.66454	1.0
67.05498	3.1
69.03436	10.5
69.07050	2.2
69.79292	6.2
79.05482	4.9
81.03407	2.1
81.07041	2.2
83.04990	13.1
85.02896	2.4
91.05483	11.1
93.07050	13.7
95.04962	3.6
95.08565	2.1
97.02901	1.1
97.06531	1.3
102.03796	1.8
103.05473	1.1
105.07034	22.0
106.07301	1.2
107.08591	14.2
109.10142	1.3
111.04455	1.9
115.05440	3.3
117.07019	11.1
119.08587	16.1
121.02865	4.2
121.03626	1.0
121.06511	14.3
121.10136	12.0
123.08092	2.5
125.05992	1.4
127.03896	1.2
128.06221	3.4
129.06990	14.5
130.07799	4.9
131.04942	2.1
131.08559	19.1
133.06490	1.7
133.10129	8.3
135.08051	12.6
135.11678	11.5
136.08815	3.3
138.88318	0.9
141.07037	1.6
143.08540	4.1
144.09343	29.4
145.06508	2.7
145.10136	19.5
147.08000	5.2
147.11707	2.2
149.02361	9.1
149.05994	2.8
149.09634	13.3
149.13226	5.1
154.07726	3.1
157.06497	4.5
157.10167	3.4
159.08102	2.7
159.11699	96.8
161.09619	12.8
162.10410	3.7
163.07529	2.6
163.11191	66.2
169.10098	5.3
172.08841	28.7
175.07516	2.7
177.09167	1.8
177.12752	46.2
187.03873	1.2
187.11185	100.0
190.09889	3.0
205.08646	3.5
205.12254	39.7
205.14200	1.9
224.70642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03953	0.6
54.40342	0.4
55.01876	0.9
55.05518	3.1
57.03444	1.3
57.07084	2.2
58.99589	0.6
60.04512	1.0
61.02931	0.8
65.03931	1.7
67.05514	5.1
69.03442	3.0
69.07078	2.9
69.52053	3.1
71.04993	2.0
79.05492	4.7
81.03429	2.4
81.07053	6.4
83.05000	0.9
83.08598	0.9
85.01143	3.6
85.02901	3.5
91.05485	9.6
93.07049	9.1
93.25172	0.5
95.04965	1.3
95.08623	5.0
97.02901	3.9
97.10143	0.6
99.04469	1.0
102.03762	3.7
102.05549	2.8
103.05470	1.5
105.07038	20.6
107.04971	1.3
107.08595	6.9
109.02874	1.4
109.06528	1.2
109.10155	3.0
111.04432	0.7
115.05447	5.7
116.01708	0.8
116.06239	1.4
117.07024	16.2
119.08584	9.9
120.08115	0.8
121.02859	1.4
121.06520	3.8
121.10155	7.9
121.10954	0.9
123.04393	0.6
123.08088	0.8
123.11702	2.1
127.03908	1.4
128.06161	2.3
128.39403	0.4
129.06999	5.5
130.07793	9.8
131.04924	2.6
131.08582	13.5
133.06517	1.2
133.10138	2.5
135.04433	0.5
135.08055	2.4
135.11710	4.1
143.08588	4.6
144.05727	1.0
144.09351	9.2
145.06506	6.6
145.10130	100.0
146.10786	1.8
147.08060	1.6
147.11699	1.5
149.02359	12.7
149.05969	1.1
149.09650	1.5
149.13254	4.5
155.06058	1.3
157.10127	1.3
159.04457	0.7
159.08128	3.0
159.11700	40.5
161.06003	2.5
161.09579	1.2
161.13257	1.2
163.03854	0.8
163.07573	2.9
163.11200	5.4
163.14796	0.9
172.08850	1.0
173.06029	1.9
175.07570	1.0
177.05371	0.6
177.09122	2.7
177.12770	2.3
187.03954	1.3
187.07562	1.7
187.11165	5.6
187.14911	1.5
188.03754	0.7
190.06256	1.1
190.09915	0.8
194.00957	0.5
205.04848	1.8
205.06616	1.4
205.08652	5.9
205.12254	55.9
205.13896	1.9
205.15898	4.7
205.19479	3.7
206.12671	0.7
220.25793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	3',4',5,6,7-Pentahydroxyflavone
Peak:m/z	Relative Intensity
50.67855	0.5
55.05508	1.3
57.03433	0.5
57.07085	0.6
59.35834	0.4
67.05496	1.7
69.03439	1.0
69.07074	0.8
70.56280	1.2
71.04998	1.6
73.61439	0.4
79.05502	1.0
81.07051	1.7
85.02898	0.4
90.15923	0.4
91.05480	6.1
93.07070	2.2
95.04987	0.4
97.02870	0.8
97.34788	0.5
98.89899	0.4
103.05476	0.6
105.07034	18.8
107.04955	1.1
107.08587	2.0
109.02926	0.5
109.10106	0.4
115.05466	1.3
116.06275	1.1
117.07018	11.3
119.08588	5.6
121.02907	0.5
121.06503	1.7
121.10156	1.3
128.06206	1.9
129.07019	6.0
130.07791	9.7
131.08574	12.3
133.10150	1.5
135.08047	0.9
135.11691	0.8
143.08588	3.8
144.09355	9.6
145.06436	1.2
145.10127	100.0
146.10948	2.0
147.08075	0.7
149.02359	4.2
149.06004	0.7
149.13284	0.6
154.60948	0.4
157.10127	1.4
159.08076	1.4
159.11699	39.7
160.12227	0.5
161.09715	0.5
163.07574	1.9
163.11201	2.5
169.10130	0.5
172.08823	0.7
177.12779	0.9
187.07669	0.6
187.11185	3.9
205.12239	44.1
205.19601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	2.0
55.05512	8.0
57.03423	2.3
57.07066	3.4
58.78414	0.8
65.03932	1.1
67.05515	5.5
69.03430	14.0
69.07069	5.0
69.19426	1.1
69.19762	8.9
71.04989	2.3
79.05497	7.6
81.03416	2.2
81.07062	5.5
83.04980	14.8
85.02894	3.3
91.05481	13.4
93.07046	17.9
95.04952	4.1
95.08612	5.8
96.81119	0.9
97.02882	4.5
97.06511	1.7
99.04450	1.3
103.05465	3.3
105.07030	25.5
107.04947	2.8
107.07884	1.5
107.08596	27.9
109.02850	1.7
109.06525	3.1
109.10149	3.1
111.04405	1.7
115.05441	7.9
117.07014	18.2
119.08584	16.2
121.02863	1.9
121.06516	14.9
121.10140	18.1
122.07287	1.2
123.08067	3.7
123.11702	1.7
125.05953	1.0
125.19131	0.9
127.03915	1.6
128.06212	2.5
129.07007	8.4
130.07787	8.2
131.04929	1.9
131.08574	11.0
133.06465	1.3
133.07535	0.8
133.10135	15.2
135.08057	20.8
135.11691	16.3
136.08844	5.3
143.04898	1.1
143.08597	4.9
144.09364	10.7
145.06477	12.0
145.10127	47.1
146.07251	2.5
147.08064	9.9
147.11697	1.7
149.02356	17.5
149.05920	1.9
149.09619	15.0
149.13286	7.8
155.06004	3.0
157.10120	1.8
159.08066	2.4
159.11696	43.2
161.05998	1.6
161.09618	24.9
161.13255	1.8
162.10405	6.4
163.07570	3.3
163.11182	100.0
172.08844	7.7
173.04529	1.3
173.05956	6.4
175.07558	2.5
177.09354	1.8
177.12743	68.3
178.13142	1.8
187.03943	1.2
187.07599	1.3
187.11177	16.0
187.14833	2.5
190.06256	1.5
190.09903	2.7
205.04938	2.1
205.08836	5.0
205.12245	58.0
205.13905	2.3
205.15634	6.0
205.19554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	3',4',5,6,7-Pentahydroxyflavone
Peak:m/z	Relative Intensity
53.80487	0.4
55.05509	1.7
57.03434	1.0
57.07072	1.2
60.04476	0.3
65.03941	1.2
67.05519	2.0
69.03423	1.5
69.07069	1.3
69.81959	0.3
70.60423	0.8
70.60743	0.6
71.04993	2.0
79.05498	2.1
81.03416	1.0
81.07058	1.8
83.04984	1.1
85.02914	1.1
91.05483	7.7
93.07040	3.6
95.04916	0.7
95.08606	1.8
97.02901	1.7
99.04453	0.8
103.05479	1.8
104.15775	0.5
105.07034	19.2
107.04977	2.0
107.08597	3.7
109.02884	0.7
109.06561	0.6
109.10149	1.0
111.04441	0.5
115.05457	3.9
116.06255	1.1
117.07023	14.7
119.08586	6.2
121.02850	1.1
121.06539	2.2
121.10150	2.1
127.03887	0.6
128.06238	1.4
129.06989	6.0
130.06859	0.7
130.07791	8.8
130.08766	0.4
131.04907	1.5
131.08568	13.8
133.10121	1.7
135.08109	1.8
135.11694	1.4
141.06990	0.8
142.07828	0.8
143.08578	3.5
144.05673	0.7
144.08203	0.5
144.09340	9.0
145.06485	3.9
145.10127	100.0
146.10861	1.8
147.08020	0.6
147.11703	1.0
149.02353	6.7
149.05971	1.2
149.09633	1.7
149.13261	1.2
154.07774	0.6
155.06053	0.6
157.10118	1.1
159.08127	2.5
159.11700	38.5
160.12192	0.4
161.09624	1.0
161.13257	1.0
163.07547	2.0
163.11177	3.1
172.08815	0.9
173.05968	1.4
175.07587	0.6
175.11311	0.4
177.09119	0.9
177.12834	1.8
187.03807	0.6
187.07584	1.4
187.11179	5.0
187.14758	0.7
190.06396	0.4
190.09830	1.1
205.08635	2.3
205.12247	49.9
205.15880	2.3
206.12674	0.6
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	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.02382	1.3
52.44028	0.7
53.03945	3.7
54.92157	0.7
55.01870	2.9
55.05516	9.7
57.03440	1.5
57.07085	4.2
57.33382	0.8
60.04537	1.6
65.03937	3.8
67.05508	37.2
69.03433	2.0
69.07071	11.4
71.05000	2.6
71.32844	1.5
77.03935	1.0
79.05495	61.9
81.03413	2.4
81.07059	33.7
83.04972	2.5
83.08621	7.0
84.04520	4.3
85.02903	2.7
85.04845	4.0
85.06546	7.5
86.03216	0.9
91.05486	46.0
93.07047	76.6
95.01299	1.4
95.04973	7.6
95.08611	36.9
97.02901	5.2
97.04823	1.4
97.06512	8.4
97.10191	1.3
98.03255	1.0
99.04483	1.2
99.08100	2.6
103.05470	0.8
103.32028	0.6
105.04523	2.5
105.07037	33.1
106.25830	0.8
107.04988	4.3
107.08598	56.1
109.02868	2.3
109.06522	8.4
109.10160	7.7
111.04520	0.8
111.08080	9.0
113.09657	1.3
114.48812	0.8
115.05431	3.8
116.06227	1.4
117.07029	15.7
119.04861	0.8
119.06135	0.9
119.08585	32.3
121.02863	4.6
121.03975	1.1
121.06520	2.2
121.10146	43.5
123.08076	16.9
125.09599	1.1
126.05522	1.3
127.03885	1.3
127.05869	2.7
129.06979	1.4
130.07796	2.8
131.04938	2.9
131.08577	40.4
133.06483	0.7
133.10136	7.8
135.08047	2.2
135.11711	4.7
137.09612	3.0
143.04878	0.9
143.08533	1.7
145.06516	1.2
145.10129	61.5
146.10771	1.1
147.11697	5.9
149.02353	29.1
149.09616	2.6
149.13281	1.3
159.04416	1.0
159.11707	16.1
161.13269	12.6
163.03896	2.7
163.11169	2.8
163.14830	1.4
167.03386	0.8
170.72357	0.8
172.61580	0.7
177.12735	2.3
177.16339	2.1
185.13243	1.1
187.03925	2.6
187.11217	2.7
187.14827	99.8
188.15175	2.4
205.04944	1.7
205.08907	3.1
205.12209	4.0
205.14442	3.8
205.15884	100.0
206.16212	2.2
223.60509	0.8
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
53.03936	0.7
55.05497	2.3
57.07066	1.9
62.39009	0.6
65.03941	1.6
67.05497	3.0
69.03424	1.2
69.07060	2.2
71.04603	1.2
71.04993	19.5
75.43098	0.6
77.54664	0.7
79.05497	3.5
81.03429	0.8
81.07059	12.4
83.04998	0.8
85.02905	1.8
85.04826	0.6
85.06561	0.8
91.05490	8.3
93.07048	12.8
95.04974	4.5
95.08610	14.8
97.02879	2.2
97.06518	1.4
99.08088	1.5
103.05445	1.3
105.07038	39.3
107.04910	1.5
107.08598	10.5
109.02891	1.5
109.06514	2.8
109.10155	3.5
111.01026	0.6
111.08107	3.7
113.09665	9.3
115.05433	1.8
117.07010	6.0
119.07730	0.8
119.08580	13.5
121.02847	2.0
121.06513	1.5
121.10150	14.8
123.08038	1.2
129.07016	1.3
130.07776	1.8
131.08574	14.5
133.10167	3.0
135.08049	2.1
135.11694	2.4
143.08554	1.2
145.06470	2.4
145.10129	27.4
147.11690	37.9
149.02350	14.2
149.05937	0.9
149.09644	3.4
149.13315	1.0
159.08078	1.2
159.11688	8.8
161.13274	6.0
162.10368	0.7
163.03979	0.9
163.07504	1.1
163.11177	1.8
163.14807	4.7
172.08856	1.1
173.06017	1.0
177.09174	1.3
177.12778	2.3
187.14830	36.9
190.07895	0.7
190.09955	0.9
201.63022	0.7
203.08667	0.7
204.09367	0.7
205.04892	1.2
205.08557	1.5
205.10188	3.7
205.12242	8.6
205.15886	100.0
206.16196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
54.03476	0.7
54.35947	0.5
55.05522	0.6
57.81145	0.5
65.03940	2.3
67.05506	24.5
68.05023	0.6
68.06292	1.0
69.07071	1.5
70.41953	1.5
71.04988	1.0
72.04523	1.2
73.02882	0.7
79.05494	4.6
80.05004	0.6
81.07047	3.0
81.07467	0.5
82.02943	4.0
82.06573	1.2
84.04509	2.1
87.58053	0.5
88.34252	0.4
90.05550	2.6
91.05487	1.3
93.05804	1.0
93.07044	0.6
94.06568	2.1
94.21725	0.5
95.04972	13.1
95.08610	0.6
95.49496	0.4
96.04491	4.7
96.05762	1.3
98.02455	0.6
99.04475	0.5
105.04465	0.5
105.07032	2.2
106.06576	1.6
106.07404	0.5
107.07357	3.8
107.08560	1.0
108.08122	19.7
110.06047	7.7
117.05779	0.9
118.06569	0.8
119.08604	0.6
120.08099	1.3
121.10085	0.5
122.06031	2.0
122.09687	6.3
128.07077	1.7
132.08095	1.5
134.06000	0.8
135.06789	2.0
146.06010	1.1
147.11714	0.7
148.07581	1.2
150.02681	0.9
150.09142	35.4
161.13289	1.0
163.06262	0.6
170.08139	0.9
178.08635	100.0
179.08960	1.4
183.21338	0.5
188.09175	1.6
189.12624	0.6
206.08127	64.2
207.06644	0.7
207.08453	1.2
207.13867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03943	1.4
54.03481	1.3
54.47083	0.8
55.01864	1.4
58.49049	1.0
61.77734	1.0
65.03924	2.0
67.05507	23.9
69.03425	1.5
69.07060	1.7
70.02925	1.6
70.30710	3.0
71.04980	1.9
72.04517	6.1
73.02908	2.2
79.05491	6.0
80.04980	1.0
81.03400	1.5
81.07047	3.2
82.02938	3.5
82.06557	1.6
83.20875	0.9
84.04494	2.9
87.64813	0.9
89.06033	2.1
90.05573	12.4
91.05472	3.5
93.05770	1.3
93.07018	1.7
94.06573	2.2
94.80882	1.2
95.04976	16.2
96.04501	5.2
96.05770	1.3
98.02423	2.3
100.03972	1.7
100.16019	1.0
101.26130	1.0
103.05459	2.7
105.07043	5.4
105.87829	0.9
106.06508	1.8
107.07345	4.9
107.08588	1.4
108.08126	20.7
110.06049	8.9
116.03415	1.2
117.05665	1.3
118.06556	6.9
119.04935	2.3
119.08559	1.5
120.08123	10.8
122.06026	2.2
122.09703	6.9
128.07072	5.7
132.04446	1.9
132.08070	3.3
134.05956	1.8
135.06767	1.8
144.04462	2.1
146.05995	5.6
146.08018	1.2
147.04391	1.0
149.02354	2.6
150.02704	1.0
150.09148	34.2
160.07619	1.8
160.09700	1.3
161.13232	1.7
162.05434	1.6
162.10588	0.9
164.11604	1.3
170.08144	3.0
178.05090	2.6
178.08643	100.0
179.08981	2.1
188.07251	1.1
188.07556	1.3
188.09183	9.0
189.07361	1.0
192.29868	1.0
198.67047	1.1
206.04457	3.7
206.08130	65.4
206.10008	2.4
206.15402	1.2
207.13814	2.9
208.06100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03949	7.2
54.63255	0.4
55.01871	1.5
55.05513	5.4
57.03437	0.4
65.03932	1.1
67.05506	21.6
69.03410	0.6
69.07068	5.2
70.22444	1.7
71.04993	2.3
73.06551	0.8
77.03932	2.4
79.05494	41.6
80.05776	0.5
81.03418	1.3
81.07054	19.5
83.04987	1.5
83.08617	1.8
85.02890	0.7
85.06558	2.6
87.04485	0.7
91.05482	52.9
92.05833	0.4
93.03400	0.5
93.07044	100.0
94.07368	0.9
95.04971	10.0
95.08610	7.3
97.06551	1.5
97.10191	0.4
99.04448	0.5
103.05444	0.7
105.04523	4.2
105.07032	27.1
107.04951	0.8
107.08600	9.5
109.06514	4.6
109.10172	0.6
115.05432	0.6
115.96431	0.8
117.07008	4.8
119.04959	1.2
119.08583	14.8
120.08898	0.5
121.06527	2.3
121.10157	2.3
123.08083	3.7
127.07500	0.8
128.06236	1.0
129.07008	8.3
131.08569	1.5
133.06470	1.0
133.10136	5.2
135.08070	0.6
135.11673	0.5
137.09602	0.4
139.07565	0.6
143.08557	5.0
145.10124	6.4
145.11200	0.7
146.03555	0.9
147.04399	1.7
147.08064	2.0
147.11687	57.7
148.12010	0.8
149.02354	0.9
149.09596	1.3
151.07533	1.3
156.09331	0.7
161.09656	2.6
161.13268	6.7
163.11200	1.2
164.04701	1.8
165.09085	0.6
171.11684	17.9
174.03105	0.6
175.03906	0.8
179.07047	1.4
189.12743	10.3
190.26988	0.4
192.04213	1.0
207.06447	3.7
207.08183	0.4
207.13802	17.3
208.14171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	5.0
55.01864	4.4
55.05522	13.4
57.07064	9.0
58.12140	2.5
65.03946	4.5
67.05505	67.6
68.94654	2.4
69.03088	3.3
69.03433	46.7
69.07066	26.6
69.76131	13.3
71.04982	8.3
78.47758	2.9
79.05488	26.6
81.03404	9.5
81.07053	33.0
83.05000	16.1
83.08608	3.7
85.06527	9.8
91.05489	32.0
93.07048	35.2
95.04971	28.3
95.08605	87.9
97.02875	3.7
97.06528	19.9
99.59427	2.5
103.05489	2.5
105.07035	59.7
107.04964	6.0
107.08601	44.3
109.06520	29.1
109.10159	13.1
110.07299	5.5
111.08103	12.5
111.08778	2.7
113.05974	5.0
115.05449	2.5
117.07012	4.7
119.04919	11.4
119.07719	4.4
119.08578	67.1
120.09318	7.6
121.06484	10.3
121.10149	42.0
123.04436	37.2
123.07217	4.4
123.08067	65.6
123.11682	10.1
125.09634	22.3
129.06993	3.1
131.08580	15.4
133.06479	10.6
133.10132	52.9
135.08055	14.0
135.11691	8.6
136.05168	2.4
137.05951	10.6
137.09589	19.9
137.13203	4.6
143.08574	4.4
144.08029	3.2
145.10103	9.9
147.04396	7.9
147.08047	14.0
147.11708	31.6
149.02344	3.8
149.09618	61.6
151.07550	22.4
151.11165	2.5
151.14813	5.6
153.09183	2.4
156.09322	12.8
159.08073	5.1
159.11662	4.5
161.05959	2.5
161.09641	5.1
161.13271	46.3
163.11214	18.4
164.04684	3.4
165.09097	7.1
165.12738	29.1
171.11694	11.1
174.10397	11.0
175.03989	3.0
179.07054	8.9
179.14302	6.9
189.05496	3.2
189.12750	47.7
207.06537	13.3
207.08307	3.5
207.10278	4.9
207.13799	100.0
207.15771	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.05406	0.8
53.03949	8.6
55.01868	1.6
55.05515	6.4
57.33860	0.8
58.86774	1.2
65.03936	1.6
67.05502	25.4
69.07074	6.2
70.33921	3.2
71.04993	1.8
73.06541	1.4
74.23936	0.9
77.03935	3.0
79.05494	45.7
81.03404	1.3
81.07059	21.6
83.04976	2.7
83.08618	1.5
85.06548	2.5
87.04465	1.1
91.04910	2.1
91.05485	50.2
93.07048	100.0
94.07368	1.2
95.04968	11.3
95.08617	7.6
95.30795	0.9
97.06498	1.3
97.10181	1.9
105.04515	3.6
105.07036	25.1
107.05013	1.0
107.08587	10.4
109.06527	3.5
117.07034	4.5
119.08593	13.1
121.06523	1.6
121.10157	2.1
123.08087	2.9
127.07564	1.3
128.06168	1.3
129.06996	8.0
130.07852	0.9
131.08594	1.1
133.10115	5.4
143.08566	5.8
145.10110	7.4
147.08128	1.6
147.11693	51.5
156.09380	1.0
161.09618	3.6
161.13235	7.9
171.11694	19.8
184.07216	0.9
189.12758	10.4
202.73732	0.9
207.13824	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	1.4
55.01852	1.5
55.05508	6.8
57.07076	3.9
65.03940	1.5
67.05513	25.6
69.03423	4.7
69.07068	3.8
70.84013	2.9
71.05002	1.4
79.05492	5.4
81.07062	6.4
83.04981	3.9
85.06557	7.2
91.05495	10.1
93.07052	14.7
95.04977	4.1
95.08615	100.0
105.07040	18.2
107.08602	21.0
109.06533	5.3
109.10189	2.4
111.82428	1.0
113.06017	3.3
115.80092	1.3
116.06244	1.5
117.07029	1.9
119.08597	27.1
121.06508	4.4
121.10154	16.7
123.08080	54.1
123.11728	7.3
131.08597	4.5
133.06528	2.0
133.10179	7.6
135.11696	3.0
137.09644	5.8
137.13297	1.6
139.07597	2.6
143.08580	1.3
145.10210	1.2
147.08055	5.1
147.11703	11.9
149.09631	57.1
151.07549	1.6
151.14839	4.5
156.09402	1.7
159.08011	1.8
159.11838	1.6
161.09644	2.2
161.13274	18.3
163.11211	2.6
165.09030	2.1
165.12758	12.7
171.11720	5.1
174.10442	4.3
179.14316	3.0
189.12766	22.6
207.13818	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.5
55.01864	4.6
55.05503	5.7
57.03415	1.6
57.07077	1.2
59.05003	1.7
65.03962	1.6
67.05511	8.2
69.03414	5.1
69.07065	6.2
71.04995	10.3
71.05844	3.0
79.05499	8.9
81.07059	11.5
83.04974	4.1
83.08627	2.0
85.02908	1.6
85.06506	1.3
91.05484	12.6
93.07053	14.1
95.04966	2.1
95.08611	10.7
97.06532	4.5
99.04453	3.5
103.05469	2.9
105.07032	32.6
107.04960	2.8
107.08597	16.7
109.06499	8.4
109.10153	12.7
111.08068	3.3
117.06943	1.7
119.04956	8.2
119.05692	1.2
119.08582	33.4
121.06494	3.4
121.10147	30.9
123.08076	16.8
123.11678	2.8
128.06245	1.2
131.08546	9.9
133.06480	6.7
133.10136	12.5
135.08051	4.6
135.11676	3.5
137.05965	5.1
137.09621	20.5
137.13240	2.4
139.07503	1.8
141.06967	1.3
143.08539	4.6
145.10121	9.6
147.08054	11.5
147.11684	36.6
149.09621	88.0
151.07542	8.2
151.11148	1.5
156.09297	8.4
158.56332	1.3
159.08095	1.9
161.09618	5.4
161.13269	17.7
163.11110	3.0
165.09155	4.7
165.12744	20.3
171.11694	15.7
174.10368	7.3
175.49625	1.4
179.14326	2.8
189.12747	57.6
191.07890	1.3
207.13811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.8
55.05274	1.6
55.05513	15.7
57.07042	1.0
59.04992	1.8
67.05491	4.0
69.03430	28.8
69.07053	2.9
69.16302	2.1
69.16705	8.7
71.04969	1.2
77.03902	1.4
79.05491	8.3
81.07027	3.1
83.04967	2.5
89.78342	1.1
91.05474	13.8
91.61468	1.2
93.03418	1.5
93.07036	7.6
95.04948	1.9
95.08611	9.4
103.05479	5.8
105.07038	13.5
107.04952	4.8
107.08595	8.7
108.05762	1.3
109.06511	6.7
109.10140	1.6
117.07006	3.6
119.04925	3.5
119.08586	12.4
120.24078	1.0
121.06506	69.7
121.10142	8.7
123.04443	1.6
123.08065	19.5
123.11730	1.9
123.75838	1.1
125.05926	1.3
130.07751	2.3
131.08559	1.7
133.06505	33.4
133.10100	2.5
135.08041	11.2
135.11652	3.1
137.09598	3.1
145.10098	3.1
146.03679	1.8
147.04411	2.3
147.08035	2.6
147.11690	5.9
148.08890	1.7
149.02193	1.2
149.09648	8.6
149.13303	1.3
151.07520	6.6
157.69029	1.2
158.02567	1.2
161.13249	4.6
163.11180	100.0
164.04665	1.8
165.09091	1.5
165.12726	2.7
171.11674	2.8
174.10425	2.3
175.03932	2.0
179.07111	2.2
179.14284	1.6
189.12753	11.0
192.04109	1.3
207.06487	8.3
207.13788	36.1
222.10626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.99664	0.6
53.03941	2.5
53.43292	0.6
55.01868	0.8
55.05513	14.8
59.04991	1.2
61.00790	0.6
65.03921	0.9
67.05493	1.9
69.03431	29.6
70.81635	2.0
71.05000	1.0
73.16486	0.6
75.23792	0.6
77.03905	0.8
77.92210	0.6
79.01849	1.1
79.05492	5.9
81.07056	2.2
83.04960	0.8
91.05487	10.8
93.03419	0.7
93.07047	6.7
94.04210	0.6
94.11166	0.7
95.04957	2.5
95.08633	3.2
103.05502	3.2
105.07030	12.2
107.04964	4.7
107.08605	6.3
108.05711	1.2
109.06525	6.4
115.05455	1.0
117.07030	2.2
118.04143	1.1
118.20435	0.7
119.04928	2.9
119.06137	0.7
119.08582	6.6
121.06508	74.8
121.10154	5.1
122.06853	0.9
123.04443	0.9
123.08065	16.0
130.07770	2.4
131.08508	0.8
133.06500	33.3
133.10124	2.5
135.08073	10.4
135.11670	1.9
136.05194	1.9
137.09581	1.6
145.10097	2.6
146.03645	1.0
147.04379	2.8
147.08011	2.0
147.11678	2.6
148.08833	1.7
149.02318	2.7
149.05951	0.7
149.09627	2.4
151.07523	3.9
161.13185	1.1
163.11185	100.0
164.04694	3.5
164.11586	2.0
165.12733	1.6
174.03114	1.5
174.10442	1.1
179.06995	3.4
189.12749	6.6
192.04192	1.5
207.06552	7.6
207.13812	29.6
208.14070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03921	3.2
55.05496	6.0
57.03440	11.4
57.07051	2.5
59.04988	3.3
65.03921	3.4
66.00616	1.7
67.05511	11.4
69.03407	7.5
69.07050	8.0
70.03722	9.8
71.04971	5.9
73.06570	3.2
79.05496	14.1
81.03385	3.3
81.07047	16.1
83.04953	6.2
85.02883	4.1
85.06524	2.2
91.05479	33.8
93.03422	2.5
93.07050	20.2
93.76575	1.9
95.04963	13.0
95.08609	22.2
97.06519	4.7
103.05457	6.0
105.07029	32.4
107.04929	2.4
107.08598	20.7
108.05687	2.8
108.80238	1.9
109.06535	12.3
109.10167	11.3
111.08056	3.9
115.05423	2.5
117.07067	5.1
118.04148	3.7
119.04963	23.5
119.08582	51.0
121.06494	7.3
121.10149	30.2
123.04447	5.4
123.08064	27.6
123.11677	6.6
125.09584	2.4
129.07001	3.6
131.04906	4.0
131.08543	11.4
133.06458	6.5
133.10144	17.6
134.06036	2.0
135.04456	2.0
135.08054	10.8
135.11653	2.6
136.05167	7.2
137.05977	5.7
137.09604	4.7
137.13237	4.0
143.08548	4.7
145.10124	16.3
146.03610	4.6
146.07269	2.5
147.04391	18.2
147.08017	7.5
147.11693	29.7
149.02330	19.5
149.05991	3.7
149.09615	42.9
151.07530	23.3
151.11212	9.6
156.09323	11.1
161.09592	8.7
161.13277	23.0
162.05383	2.2
163.03935	5.2
163.07529	8.4
163.11143	5.3
164.04688	22.7
165.09123	2.6
165.11403	3.1
165.12758	29.4
171.11714	9.6
174.03043	4.8
174.10350	3.9
175.03870	7.7
179.07050	19.8
179.14276	2.7
189.12737	39.1
189.16318	2.9
192.04266	9.5
201.64188	2.0
207.06520	51.1
207.13789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37123	4.3
53.03943	5.6
55.01875	10.7
55.05507	7.3
56.96549	9.2
57.07083	33.4
60.50308	4.2
60.56220	4.3
64.87720	4.1
67.05504	13.3
68.25295	5.4
69.03426	6.4
70.81165	13.9
79.05483	11.4
81.07045	16.9
83.04959	9.9
85.06548	100.0
91.05504	36.6
92.05820	15.8
93.03425	8.2
93.07056	22.7
94.07376	8.3
95.04962	12.0
95.08622	7.0
96.08932	5.7
103.05440	6.6
105.07046	8.1
106.04185	11.5
106.07362	10.1
107.08572	8.4
109.06551	11.8
109.10188	5.1
115.05489	6.5
117.33194	4.3
119.04971	6.3
119.08566	7.2
120.05281	15.5
120.08906	7.2
121.06548	28.1
121.10137	10.4
122.06803	6.7
123.08091	6.4
125.05978	6.9
131.04932	10.3
133.10168	5.6
134.10532	6.7
145.08617	65.8
145.09750	6.4
145.10138	4.2
147.04248	6.2
148.12032	14.7
149.05989	19.8
149.09586	5.6
150.02658	10.6
151.11192	9.6
152.07869	7.5
153.07016	4.6
153.09099	6.8
162.05484	8.2
165.05028	14.4
166.05045	8.5
167.14438	5.1
175.03535	5.5
177.05444	10.6
180.07405	10.8
190.13115	7.4
191.14331	6.2
193.04663	11.6
193.09988	6.0
194.07274	5.9
199.85019	4.5
203.05923	19.6
207.06499	5.0
208.06911	36.8
208.11002	8.0
208.13983	16.6
209.09660	20.7
209.13281	5.8
209.15187	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	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03948	12.7
54.24091	2.1
55.01876	21.1
55.05512	28.0
57.03432	3.7
57.07064	4.0
65.03945	17.9
66.53774	2.2
67.05505	19.2
69.03429	11.3
69.07066	15.0
70.12656	8.2
71.05000	6.2
75.04487	12.8
77.03945	3.0
78.04705	15.2
79.05492	15.9
81.03401	3.0
81.07054	25.7
83.04995	39.2
83.08620	14.6
85.02927	11.6
85.06539	4.4
89.03901	7.1
91.05486	63.4
93.03408	30.6
93.07040	42.6
95.04972	37.4
95.08611	16.4
97.06546	24.3
97.10153	3.3
99.04432	6.5
99.08108	3.1
103.05469	19.0
105.03421	2.6
105.04504	7.2
105.07032	10.2
106.04181	100.0
107.04958	6.8
107.08606	36.6
108.05758	2.7
109.02850	3.5
109.06531	38.0
109.10175	16.2
111.04431	6.2
111.08065	7.5
117.03375	8.1
117.06975	2.7
118.04142	3.3
119.04902	5.0
119.08572	6.6
121.06513	93.4
121.10143	32.7
122.07369	3.0
123.04439	5.6
123.08054	8.6
123.11689	7.5
125.05994	23.2
125.09660	20.2
131.04927	8.9
131.08554	6.9
133.10155	15.4
134.03662	14.1
135.04408	4.4
135.08058	14.2
135.11696	9.0
137.05980	13.3
137.09613	4.0
138.06731	4.0
139.07538	12.1
145.02823	4.4
145.10081	5.5
147.04410	3.1
147.11703	4.5
148.05177	10.3
149.05995	97.9
149.09573	14.8
149.13264	11.6
151.07571	4.4
151.11206	20.1
153.05453	7.1
153.09109	33.6
159.04411	3.2
163.07559	6.2
163.11206	4.7
163.14784	7.0
165.12775	26.0
166.06258	3.6
167.14357	18.9
173.13278	10.2
177.05473	46.2
181.06493	3.6
181.08592	17.0
191.06996	7.1
191.14340	37.1
209.06178	4.2
209.08075	26.3
209.09801	3.4
209.11526	4.1
209.13394	2.5
209.15352	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03943	11.9
55.01875	20.7
55.05513	24.3
57.03438	6.5
57.07066	1.7
65.03944	13.7
67.05183	2.4
67.05508	30.1
69.03436	6.3
69.07071	13.8
70.00852	2.6
70.01242	3.9
71.04978	5.6
75.04479	10.8
77.03924	3.8
78.04712	13.8
79.05495	45.9
81.03416	5.2
81.07059	29.6
83.01341	1.9
83.04987	12.3
83.08617	14.2
85.02911	10.6
85.06540	1.5
89.03925	6.9
89.06051	2.7
89.16547	1.2
91.04907	2.3
91.05487	56.8
93.03410	35.3
93.07046	69.1
94.04185	1.7
95.04969	30.9
95.08614	55.1
97.02893	3.7
97.06528	18.9
97.10162	1.9
98.21499	2.1
99.04458	5.6
103.05466	21.9
105.03428	2.3
105.04520	5.7
105.07030	15.1
106.04179	81.2
107.04963	17.5
107.08600	36.6
108.05726	1.3
109.06518	16.9
109.10157	7.6
110.07278	1.4
111.04429	4.0
111.08073	4.4
111.70460	1.2
113.06012	1.4
115.05434	4.0
117.03363	5.1
117.07022	11.9
118.04161	2.9
119.04942	3.8
119.08563	10.9
120.05690	2.0
121.06510	79.2
121.10148	18.3
122.07265	2.6
123.04412	5.3
123.08073	5.8
123.11718	2.4
125.05988	24.1
125.09611	5.2
127.07552	2.2
129.06989	2.7
130.07768	1.9
131.04945	7.5
131.05830	1.4
131.08565	2.5
133.06448	1.5
133.10127	5.6
134.03629	15.0
135.04382	3.2
135.08029	4.7
135.11700	34.6
137.05972	10.4
138.06767	5.6
139.07582	6.4
145.02858	8.5
145.10146	24.4
145.21185	1.5
147.04434	2.5
147.08060	1.5
147.11800	1.4
148.05193	9.6
149.05984	100.0
149.09637	5.4
149.13315	2.5
151.03931	2.5
151.07544	3.9
151.11188	8.8
153.05501	6.3
153.09097	19.9
159.04395	1.7
163.07547	5.0
163.11179	30.2
165.12753	9.1
166.06274	4.1
166.07777	2.0
167.14299	6.3
173.09634	1.9
173.13283	3.0
177.05487	40.1
180.07814	1.9
181.06470	2.0
181.08627	17.5
181.10072	2.4
191.07057	4.7
191.14313	7.8
194.07338	2.4
209.08061	20.3
209.09724	7.6
209.13513	3.2
209.15352	14.6
227.12854	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	209.0961
Annotation	Chalcone
Peak:m/z	Relative Intensity
51.23407	0.3
53.03952	0.8
55.01868	1.6
55.05515	1.6
57.03435	0.6
59.74542	0.3
63.28202	0.3
65.03930	1.0
66.91858	0.3
67.05527	1.5
69.03422	0.7
69.07061	0.9
70.60522	0.8
75.04478	0.3
77.03948	0.4
78.04713	0.8
79.05515	1.9
81.03419	1.3
81.07055	1.8
83.04964	2.0
83.08620	0.7
85.02895	0.8
85.06538	0.4
89.03909	0.6
91.05482	20.1
93.03387	1.8
93.07056	2.5
95.04970	3.0
95.08601	1.8
97.06541	1.6
99.04477	0.4
99.08060	0.3
103.05471	6.2
105.03391	0.6
105.04594	0.4
105.07021	1.0
106.04172	4.3
107.04961	11.5
107.08592	7.3
109.06516	2.5
109.10165	0.9
111.04447	0.5
111.08056	0.4
115.05457	49.7
116.05782	0.6
119.04975	0.5
119.06031	0.4
119.08606	0.3
121.06480	3.8
121.10146	1.6
123.08099	0.9
123.11712	0.6
125.05994	1.2
125.09633	0.5
131.04930	49.7
132.05254	0.8
133.10107	0.6
134.03629	0.8
135.08055	5.0
135.11662	0.7
137.05949	0.5
141.07013	1.3
144.05753	0.4
145.02808	0.4
147.11624	0.5
148.05232	0.6
149.05975	5.2
149.09615	0.9
149.13257	0.9
151.11223	1.3
153.05568	0.7
153.07007	1.2
153.09145	1.7
163.11147	0.5
165.06999	5.2
165.12761	2.8
166.07788	10.4
167.08505	0.9
167.14345	1.3
173.13226	0.3
177.05482	2.8
178.07762	0.6
179.08578	2.5
181.06519	1.2
181.08618	1.1
181.10112	12.7
182.10558	0.5
189.07062	0.6
190.07835	1.6
191.06996	0.6
191.08546	6.3
191.14322	1.0
194.07278	17.4
207.08110	0.9
208.08839	0.4
209.09624	100.0
209.15016	2.7
210.09941	2.4
210.80798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98812	0.4
53.03937	1.7
55.01871	3.0
55.05513	3.5
56.86420	0.5
57.03442	0.5
57.07083	0.7
65.03930	1.5
67.05525	2.5
69.03418	2.0
69.07056	1.9
70.73390	0.7
70.73756	1.0
71.04986	1.0
72.19752	0.5
75.04489	0.9
75.80319	0.4
78.04706	1.1
79.05494	2.7
81.03410	0.9
81.07066	3.5
83.04984	4.2
83.08612	1.9
85.02929	1.0
85.06538	0.6
91.05486	21.5
93.03400	2.9
93.07041	4.8
95.04974	5.7
95.08638	3.0
97.06542	2.4
97.10168	0.8
99.04445	0.7
99.08102	0.8
102.04734	0.4
103.05473	7.2
105.03395	0.5
105.07034	1.6
106.04182	7.4
107.04967	10.6
107.08614	4.7
109.06523	4.0
109.10191	2.6
111.08087	1.4
115.05463	49.2
117.03358	0.5
119.04938	0.5
119.08542	0.8
121.06516	7.7
121.10143	4.0
123.08062	1.3
123.11692	1.5
125.05994	1.9
125.09608	2.3
131.04935	51.0
132.05276	0.5
133.10133	1.6
134.03600	1.0
135.08061	1.8
135.11690	1.2
137.05989	1.1
137.09628	0.6
138.06721	0.4
139.07536	1.0
139.11162	0.5
141.06969	1.4
144.05736	0.6
145.02876	0.6
145.10083	1.1
147.04454	0.7
147.11763	0.5
148.05202	1.2
149.05997	8.7
149.09621	1.7
149.13263	1.5
151.11188	6.2
152.06200	0.7
153.05394	0.6
153.06989	1.9
153.09109	2.8
163.07518	0.9
163.11174	0.7
163.14801	1.7
165.06993	5.8
165.12749	2.1
166.06375	1.0
166.07788	12.0
167.07039	0.4
167.08514	1.2
167.14311	3.3
173.13258	1.4
177.05476	4.7
178.07745	0.5
179.08565	2.5
181.06520	1.5
181.08601	1.5
181.10104	12.7
181.11650	1.0
189.06931	1.0
190.07823	2.1
191.07065	0.8
191.08578	6.6
191.14355	3.3
194.07280	17.6
195.07867	0.6
207.08060	1.2
208.08836	0.9
209.09631	100.0
209.15080	4.5
210.09982	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	4.1
55.01872	4.2
55.05514	65.1
56.97028	1.5
57.03430	5.5
57.07063	2.0
59.04998	4.2
64.25532	1.8
67.05513	10.3
69.03424	8.7
69.07073	8.1
70.86256	2.2
70.86592	3.7
71.05005	9.4
79.05481	9.1
81.07057	19.2
83.04982	100.0
83.08156	2.8
83.08620	37.5
85.06580	3.8
91.05464	8.3
92.60687	1.7
93.07035	17.1
95.04968	73.3
95.05579	3.5
95.08601	11.7
97.06529	16.6
97.10169	7.1
99.04447	15.9
99.08097	4.0
105.07015	10.4
107.08593	26.7
109.06516	41.2
109.10160	25.4
111.08086	10.6
113.09605	1.9
119.08571	6.4
121.06488	5.6
121.10140	21.5
123.08065	7.5
123.11694	15.3
125.09646	16.3
131.08601	4.0
133.10115	21.0
135.08057	8.4
135.11742	3.4
137.09651	2.8
141.82678	1.9
145.10191	1.6
147.11664	2.1
149.05978	4.4
149.09625	5.2
149.13249	10.0
151.11179	41.6
153.09103	33.6
153.10333	1.8
158.10895	2.9
163.14851	4.1
167.14314	62.9
173.13271	7.2
177.05463	4.4
181.06532	3.5
191.14301	17.8
209.06099	2.3
209.15353	38.0
214.03177	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.57338	1.2
55.05525	5.5
57.03427	2.9
57.07063	2.7
59.04985	2.1
67.05507	6.9
69.07063	3.5
69.38245	2.9
69.38658	5.4
71.04988	2.4
72.72411	1.0
79.05502	10.8
81.07064	21.7
83.04984	5.5
83.08609	4.1
83.16841	1.0
85.06543	2.2
91.05472	5.5
92.33117	1.1
93.07043	7.0
95.04974	19.3
95.08609	5.2
97.05933	1.6
97.06532	25.3
99.04441	3.8
105.07030	5.8
107.08608	15.6
109.06526	100.0
109.10162	17.3
111.08086	3.8
113.05997	1.2
117.07010	1.3
119.08583	2.6
121.06483	2.7
121.10154	17.0
123.08057	4.7
123.11725	2.1
125.09647	3.0
131.08553	4.5
133.10147	20.1
135.08054	9.8
135.11676	1.2
143.08519	1.3
145.10191	1.8
147.11684	3.6
149.09666	2.4
149.13248	3.3
151.11159	3.4
153.07971	1.2
153.09129	20.9
158.10921	2.2
163.14813	6.7
167.14322	2.5
173.13292	9.5
191.14357	12.6
209.15396	19.7
209.94841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05499	10.7
58.62686	2.5
61.29126	2.5
66.12953	2.6
67.05502	6.7
68.37905	2.5
69.03424	7.7
69.07066	7.3
69.23483	9.1
69.23903	16.2
69.87875	2.4
72.09832	2.7
73.70131	2.5
79.05480	10.4
80.37553	3.1
81.07055	16.2
83.01382	3.0
83.04978	11.2
83.08636	2.7
91.05484	17.1
93.07052	7.7
95.04964	8.4
95.08578	4.3
97.06567	3.1
99.08064	2.8
105.07027	8.9
107.08595	38.5
109.06532	25.2
109.10150	11.0
113.17628	3.0
115.05453	4.3
117.07044	4.9
119.06149	2.9
119.08595	3.8
121.10152	26.5
122.07291	7.0
123.08044	5.8
123.11722	3.3
125.09641	6.7
131.08604	4.1
133.10136	100.0
135.08073	25.3
135.11690	5.1
137.09624	84.1
147.11642	3.6
149.13271	20.6
151.11151	6.9
153.09131	4.9
167.14322	3.8
173.13266	9.6
174.51027	2.6
191.14293	9.4
209.15422	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03958	1.9
55.01866	2.6
55.05511	67.2
57.52917	1.6
59.04989	3.7
67.05497	5.0
69.03419	5.2
69.07062	3.9
70.30724	5.0
71.05009	2.2
79.05476	2.7
81.07053	15.0
83.04978	100.0
83.08614	38.1
85.06531	1.9
91.05480	3.0
93.07055	13.0
95.04976	13.6
95.08604	6.3
97.06530	6.8
97.10183	7.3
99.04466	1.9
105.07019	3.8
107.08593	21.0
109.06521	14.1
109.10160	20.9
111.04459	1.7
111.08080	10.7
111.09881	1.4
113.09650	1.7
121.10146	35.1
123.08115	1.5
123.11720	11.9
125.09640	13.8
131.08563	1.6
133.10132	4.4
149.13246	7.1
151.11177	34.7
153.09102	6.2
163.14819	6.0
166.74548	1.3
167.14319	70.8
173.13240	2.4
185.02217	1.4
188.90074	1.4
191.14320	4.3
192.98433	1.3
209.15363	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.34579	1.8
55.01873	2.6
55.05516	76.6
57.03426	2.5
58.63530	1.7
59.05002	2.8
64.60635	1.7
67.05506	9.0
69.03435	9.9
69.07082	9.1
70.80902	4.8
71.05006	4.4
78.72021	1.6
79.05481	6.8
81.07069	13.2
83.04987	100.0
83.08167	2.3
83.08630	32.6
85.06536	2.6
91.05489	3.2
93.07042	10.0
95.04965	14.1
95.08608	10.0
97.06535	14.2
97.10161	10.1
99.04474	2.3
99.08069	2.2
105.07027	6.2
107.08601	23.8
109.06526	25.2
109.10161	19.5
111.08104	10.2
113.09653	2.0
114.84218	1.5
121.06548	1.5
121.10176	15.4
123.08074	4.1
123.11726	12.0
125.09639	20.2
131.08551	3.1
133.10158	9.3
135.08049	3.3
137.09645	2.5
149.09616	7.5
149.13258	7.2
151.11198	37.1
153.09114	7.3
167.14328	59.3
173.13240	5.3
191.14339	5.5
206.09331	1.7
209.15356	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.25790	2.4
55.05518	35.6
57.03435	3.3
57.07070	9.1
59.04996	5.0
63.83828	2.6
67.05508	16.5
67.06950	2.6
69.03432	15.4
69.07072	19.2
70.81374	6.7
71.04995	5.8
79.05502	13.0
81.07060	24.7
83.04986	63.6
83.08609	15.6
84.89661	2.8
85.06538	6.3
91.05484	11.3
93.07053	22.6
95.04978	27.9
95.08608	23.0
97.06534	15.4
97.10201	13.1
99.04445	4.7
99.08094	8.6
105.07021	13.6
107.08601	51.2
109.06526	100.0
109.10159	29.7
111.08079	15.8
113.06023	4.9
119.08618	7.7
121.10148	42.7
123.08083	8.7
123.11697	8.1
125.05955	4.5
125.09638	62.8
131.08607	6.0
133.10143	16.2
135.08073	20.9
135.11665	5.1
135.58324	2.4
137.09613	4.1
139.07506	5.5
139.11214	4.9
145.10124	4.9
147.11755	3.3
149.09636	52.3
149.13257	25.3
151.11201	43.2
153.09125	29.8
163.14833	16.5
165.12802	5.3
167.10690	3.8
167.14313	13.3
173.13258	19.3
187.86697	2.7
191.14323	43.3
209.15381	72.2
210.45088	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.49575	1.8
55.01865	6.1
55.05516	30.8
57.03436	4.3
57.07073	4.3
58.25935	1.8
59.04990	5.4
64.46275	1.8
65.03899	2.1
67.05500	11.3
69.03436	7.7
69.07065	16.1
70.81342	4.3
70.81701	1.6
71.04997	4.4
71.37136	1.6
73.94849	1.7
79.05515	9.7
81.07066	15.5
83.01348	52.0
83.04986	28.6
83.08623	15.2
85.06567	8.3
91.05492	9.2
93.07043	16.3
95.04972	11.5
95.08607	11.5
97.06542	35.8
97.10189	5.7
99.04463	5.7
99.08095	26.1
101.06004	7.1
105.07060	8.9
107.08596	30.3
109.06525	31.6
109.10168	16.5
111.04482	3.2
111.08086	18.7
119.08569	6.2
121.06506	4.1
121.10148	25.2
123.08057	7.8
123.11716	4.4
125.06017	1.9
125.09640	34.4
131.08557	6.8
133.10149	20.0
135.08076	16.9
135.11691	5.3
137.09599	8.2
139.07564	33.2
139.11192	9.9
145.10135	2.9
147.11696	1.9
149.09633	18.7
149.13283	9.4
151.11195	16.5
151.15210	1.6
153.09116	22.1
154.09851	3.3
155.10641	2.0
163.14844	10.3
167.10680	2.5
167.14291	7.6
173.13231	11.3
181.15881	12.0
191.14325	29.5
209.15384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.40913	0.9
51.74490	0.9
53.03947	1.9
55.05497	2.6
56.83721	0.9
57.07068	2.1
59.04988	1.9
67.05513	4.5
69.03426	13.3
69.07056	3.9
70.81339	2.7
70.81704	1.0
79.05486	3.3
79.35466	0.8
81.02988	1.3
81.03420	14.4
81.07056	8.5
83.04969	3.6
90.99293	0.8
91.05462	2.5
93.07039	5.9
95.04977	6.4
95.08611	11.9
97.21452	0.8
98.20861	1.1
99.08034	0.8
105.07029	7.0
107.08583	10.4
109.06514	12.7
109.10120	1.4
119.06055	0.9
119.08585	7.0
121.06519	0.9
121.10139	15.6
123.08072	13.1
123.11691	9.0
133.10074	1.0
135.08093	1.9
135.11705	1.4
137.09593	3.3
137.13231	2.4
145.10199	1.1
147.11729	4.2
149.09612	12.7
149.13254	8.3
151.11197	6.2
163.14705	1.1
165.12753	100.0
166.13094	2.2
173.13304	1.0
183.95189	1.0
191.14337	2.4
209.15372	35.2
209.17400	1.7
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
54.58462	1.6
55.01870	2.1
55.05511	21.3
57.07079	3.7
59.05008	2.4
59.71663	1.4
67.05503	11.2
69.03444	8.8
69.07068	16.5
69.65997	11.0
69.66298	3.0
71.05000	10.2
79.05507	11.0
81.07056	15.7
83.01350	2.2
83.04990	37.4
83.08624	11.8
85.06539	3.1
91.05499	8.9
93.03426	2.1
93.07046	14.3
95.04970	52.7
95.08608	28.1
97.06532	9.7
99.04456	7.8
99.08104	7.3
105.07032	11.2
106.04211	3.7
107.04963	2.2
107.08602	43.0
109.06500	12.4
109.10154	18.1
111.08080	6.7
113.09634	3.0
119.08588	6.2
121.06528	7.7
121.10161	36.7
123.08108	6.3
123.11726	6.2
125.09623	13.5
131.08575	5.9
133.10149	15.3
135.08058	11.8
135.11699	5.4
137.09621	4.6
139.07558	2.4
139.11189	5.0
145.10121	4.9
147.11679	9.0
149.06009	4.4
149.09599	12.8
149.13263	20.3
151.11189	100.0
153.09106	13.8
158.10948	4.3
163.14766	9.3
165.12756	6.1
167.14357	12.9
173.13274	13.8
181.15840	2.1
191.14328	39.8
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	1.3
54.62437	1.0
55.01862	2.4
55.05515	5.7
57.03434	1.3
57.07082	8.7
59.04993	1.3
65.03963	1.7
67.05511	7.2
69.03086	1.7
69.03433	20.3
69.07060	5.7
69.58573	2.2
69.58973	4.4
79.05500	5.5
81.07063	14.2
83.04986	14.6
83.08617	3.5
84.12231	1.0
85.02869	1.0
85.06554	6.7
88.75966	1.0
91.05480	7.8
93.03408	1.9
93.07059	8.3
95.04961	5.0
95.08613	9.0
96.44188	0.9
97.06523	3.8
97.10155	1.0
98.20766	1.9
99.08027	1.2
103.05515	1.6
105.07042	7.0
106.04169	4.2
107.07887	2.1
107.08598	29.1
109.06522	11.6
109.10148	4.3
111.04394	1.1
111.08082	7.1
119.08587	3.3
121.06504	5.9
121.10153	11.7
123.08066	6.5
123.11713	5.6
125.06008	1.5
125.09635	54.1
131.04974	1.2
131.08583	6.3
133.10126	8.2
134.03685	1.3
135.08060	15.8
135.11653	5.0
137.09662	1.4
143.08519	1.4
145.10126	4.3
147.11681	4.4
149.05972	4.9
149.09637	9.4
149.13290	9.3
151.11206	5.2
153.09096	11.4
158.10912	3.3
161.09621	1.7
163.11179	3.3
163.14874	6.0
165.12764	17.1
167.14316	2.2
173.13283	15.6
176.11934	2.5
177.05492	3.4
191.14314	100.0
208.47165	1.0
209.06111	1.1
209.07956	1.5
209.15372	98.8
210.13832	1.2
210.15710	1.4
228.41267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.2
55.01875	1.2
55.05511	3.7
57.07073	1.8
59.04997	1.8
62.64417	0.5
65.03948	0.7
66.64748	0.5
67.05508	5.0
69.03432	13.2
69.03780	1.1
69.07069	5.6
69.26660	1.6
69.27084	3.1
71.04984	0.7
71.17509	0.5
79.05061	0.7
79.05494	4.6
81.03417	11.5
81.07056	8.7
83.04996	4.2
83.08606	0.7
91.05488	3.5
93.07051	5.3
95.04964	8.8
95.08612	10.8
97.06529	1.6
99.08110	1.6
103.05457	0.9
105.07034	5.6
106.04174	2.4
107.04962	0.8
107.08590	9.8
109.06514	13.3
109.10168	1.9
110.07287	1.4
111.08096	1.1
114.85035	0.5
117.07008	0.7
119.08585	5.8
120.48648	0.5
121.06531	3.0
121.10143	15.5
123.08065	11.3
123.11720	7.4
125.05992	0.7
125.09582	1.1
131.08510	0.7
133.10138	1.8
135.08072	1.8
135.11681	2.1
137.09634	3.9
137.13234	2.9
138.06868	0.5
145.10072	0.6
147.11665	3.5
149.05978	2.2
149.09627	10.6
149.13246	8.1
151.11168	6.2
153.09212	0.6
158.10835	0.6
163.14766	1.2
165.12755	100.0
166.13086	0.8
167.14279	1.0
173.13278	1.0
177.05461	1.8
181.08565	0.6
191.14319	3.4
209.15369	40.3
210.15721	0.6
216.91393	0.6
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
53.03943	7.8
55.01880	12.9
55.02599	2.1
55.05510	31.7
57.03431	4.8
57.07061	6.4
59.04987	3.3
65.03931	5.5
67.05501	18.0
69.03432	20.8
69.07074	26.2
71.04991	11.8
71.42902	4.5
75.04465	2.6
78.04719	5.7
79.05487	17.6
81.03410	2.9
81.07059	32.1
83.04985	39.8
83.08624	20.5
85.02860	3.8
85.06529	4.0
89.03886	3.7
91.05486	31.0
93.03410	9.3
93.07043	31.7
95.04961	42.2
95.08610	35.8
97.06527	17.9
97.10157	3.1
99.04451	6.4
99.08097	6.4
103.05466	9.5
105.07018	19.0
106.04174	33.7
107.04958	5.6
107.08597	57.9
109.05805	4.6
109.06516	50.8
109.10162	28.4
111.04451	3.4
111.08094	10.5
114.03999	2.3
115.05421	2.4
117.07006	3.9
119.04878	2.7
119.08588	11.1
121.06515	32.9
121.10156	45.8
123.08041	13.3
123.11711	11.2
125.05999	8.9
125.09619	20.0
131.04935	7.8
131.08566	9.9
133.10143	25.5
134.03635	4.5
135.04425	3.0
135.08066	32.8
135.11694	14.7
137.05974	4.1
137.09616	7.6
139.07515	10.1
139.11235	3.8
145.10117	8.3
147.11746	11.0
148.05215	3.7
149.05986	36.2
149.09634	21.0
149.13281	22.9
151.11185	100.0
152.73511	2.7
153.05484	3.7
153.09096	19.8
158.10951	3.9
159.04388	3.1
160.68799	2.2
163.03880	2.7
163.07538	3.2
163.11208	6.8
163.14842	15.6
165.06927	2.3
165.12755	47.2
167.10753	2.7
167.14362	11.9
173.13290	19.4
177.05452	21.6
179.08598	2.9
181.08531	6.7
191.07031	3.7
191.10753	3.0
191.14301	64.8
194.07338	3.3
209.06033	3.8
209.07994	9.4
209.09940	13.5
209.13310	7.9
209.15358	53.4
209.17355	3.1
211.55760	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.06072	1.5
53.03946	2.5
55.05513	45.6
57.03431	3.0
57.07070	2.9
59.05000	5.1
67.05504	7.0
67.75794	1.8
69.03436	4.7
69.07066	9.8
69.32681	5.8
69.33109	8.4
71.04990	6.6
78.05447	1.5
79.05502	9.7
81.07062	17.1
83.04981	52.0
83.08624	24.2
85.06546	3.9
91.05488	7.0
91.27809	1.7
93.07048	34.6
95.04975	63.6
95.08605	8.7
97.06518	14.8
97.10146	3.0
98.20685	3.5
98.97079	2.0
99.04454	11.9
100.11312	3.2
105.07059	9.0
107.08598	39.1
109.06525	43.0
109.10159	18.0
110.56136	2.0
111.08092	7.2
119.08600	4.7
121.10150	100.0
123.08089	4.6
123.11702	7.3
125.09638	7.8
131.08569	2.7
133.10132	14.1
135.08049	5.1
135.11681	5.5
139.11142	1.6
145.10106	3.1
147.11722	2.0
149.13266	7.1
151.11205	22.5
153.09122	22.8
158.10950	2.2
163.14821	19.5
167.14322	37.2
167.15640	3.4
173.13228	5.7
191.14325	17.3
209.15338	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03945	1.8
55.01871	1.8
55.05511	63.7
57.03440	1.5
57.07082	1.6
59.04993	4.8
61.96602	1.4
67.05499	8.1
69.03413	7.1
69.07063	4.1
69.12518	3.8
69.12933	12.5
71.04965	3.5
77.89304	1.4
79.05492	3.5
81.07055	13.1
81.92379	1.4
83.04980	100.0
83.08615	37.8
91.05481	1.8
93.07050	8.0
95.04965	9.9
95.08624	7.7
97.06519	7.8
97.10146	7.1
99.04451	1.6
101.52451	1.3
105.07026	4.8
107.08589	18.1
109.06522	13.4
109.10147	21.8
111.08086	9.9
113.09691	1.8
121.10136	14.3
123.11707	12.6
125.05976	1.4
125.09631	11.8
125.93633	1.6
126.55600	1.5
133.10126	6.1
149.13255	6.4
151.11172	38.5
153.09148	4.8
163.14795	2.4
167.14317	74.4
173.13287	2.8
191.14325	3.5
209.15366	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	2.9
55.01854	6.4
55.05513	26.3
57.03424	4.6
57.07083	4.1
59.04985	5.8
65.03979	2.4
67.05502	10.0
69.03420	6.6
69.07072	16.6
69.71954	11.2
71.04990	7.9
75.04470	2.2
79.05511	13.0
81.07066	16.5
83.01350	44.8
83.04980	24.0
83.08627	17.1
85.06532	7.6
91.05489	14.7
93.07048	20.2
95.04977	99.1
95.08591	9.8
97.06535	34.7
97.10168	5.3
99.04454	19.2
99.08089	27.4
101.06013	6.8
103.05450	2.4
104.61000	2.0
105.07024	8.6
106.04166	9.8
107.08602	31.8
109.06525	23.1
109.10165	17.5
111.04510	2.2
111.08104	20.5
119.08577	5.8
121.06493	12.5
121.10155	29.8
123.08070	9.5
123.11706	4.9
125.06007	6.1
125.09636	34.2
131.08566	6.5
133.10141	15.7
135.08057	17.0
135.11702	6.8
137.09634	10.1
139.07558	31.2
139.11180	14.3
147.11661	3.9
149.05968	10.5
149.09627	17.7
149.13283	11.6
151.11191	24.1
153.09106	39.5
163.14830	8.5
167.14380	6.8
167.94087	2.2
173.13292	15.0
176.19267	2.2
177.05460	7.5
181.15900	12.4
191.14340	30.7
203.82288	2.5
204.02965	2.0
209.08072	4.5
209.15392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0753
Annotation	9,10-Dihydroxyanthracene
Peak:m/z	Relative Intensity
52.75986	0.4
53.03932	0.6
55.01876	4.0
55.05501	1.3
55.86366	0.3
56.96558	0.8
57.07057	1.1
63.77407	0.3
64.32935	0.4
67.05486	1.1
69.03413	0.6
69.07052	0.5
71.04967	0.5
71.43246	0.5
79.05503	1.7
81.03428	2.5
81.07068	2.0
82.30594	0.3
83.04951	1.4
83.08598	0.9
86.15813	0.3
91.05513	1.8
93.07025	1.1
95.04963	1.8
95.08590	1.5
97.06554	0.7
97.10205	0.4
97.99167	0.4
99.04446	1.0
103.05453	0.4
105.07012	1.3
106.06551	0.5
107.04955	0.6
107.08610	0.5
109.10175	1.4
111.08080	0.6
113.96375	0.4
115.05442	2.8
119.08579	1.0
121.10142	0.6
123.08058	0.5
128.06223	0.5
129.07022	2.7
133.06487	0.4
133.10132	0.8
135.08009	0.3
135.11702	0.5
137.09592	1.0
141.06993	12.8
145.96649	0.5
147.11671	0.6
151.07617	0.4
151.11198	0.6
152.06287	0.4
153.07008	9.9
154.07796	2.5
155.08569	20.4
155.10532	0.8
164.06212	0.5
165.07014	34.0
166.07729	0.7
166.64580	0.4
167.08502	0.5
168.05719	6.7
168.09415	0.7
169.06424	0.4
169.10103	0.8
171.02097	0.6
175.11217	0.6
175.14890	0.4
181.06508	2.0
181.10085	0.4
182.07246	1.4
183.08064	72.1
184.05275	0.6
184.08380	1.6
188.67970	0.3
193.06473	3.2
193.07722	2.7
193.12273	0.8
194.07173	0.4
196.05222	0.6
210.06616	0.6
211.07555	100.0
211.14836	1.1
212.07932	2.0
221.07269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	5.2
53.05656	1.1
55.01874	5.5
55.05511	44.6
57.03435	8.9
58.32781	1.0
59.04999	1.7
65.03918	1.2
67.05505	28.7
69.03433	10.5
69.07074	11.5
70.43143	4.2
71.04994	5.4
79.05494	34.2
81.03420	100.0
81.07057	38.5
83.04983	50.3
83.05404	0.8
83.08620	35.7
85.02910	1.9
85.06535	3.6
91.04902	2.0
91.05485	37.4
93.07050	17.3
95.04964	31.6
95.08601	16.1
97.02895	3.3
97.06548	5.7
97.10169	6.7
97.81445	1.1
99.08126	2.4
99.95441	1.2
101.64719	1.2
105.07036	21.4
107.04945	6.1
107.08592	9.3
109.06516	6.0
109.10170	4.8
109.39547	1.0
111.04406	1.3
111.08096	9.7
113.41673	1.1
117.06984	1.4
119.08581	19.3
121.06477	1.9
121.10137	7.9
123.04462	1.3
123.08086	3.8
123.11687	2.5
125.09634	2.4
128.06244	1.5
129.06978	13.3
131.04311	1.1
131.08574	13.1
133.06485	4.1
133.10117	10.3
135.11754	1.4
137.09634	3.1
142.07776	3.5
147.08040	3.1
147.11684	15.8
147.13680	1.0
149.09637	7.0
151.11240	2.0
155.08600	3.4
157.10133	17.1
159.59210	1.1
165.07050	1.4
165.12764	4.0
169.10104	1.3
175.11200	16.4
183.08073	2.0
192.77301	1.1
193.12248	35.7
211.07620	5.9
211.13219	14.6
211.14893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.39568	1.0
53.03941	4.7
55.01867	4.8
55.05512	42.0
57.03444	8.5
57.07068	1.1
59.04987	2.8
61.30917	1.0
62.12878	1.3
65.03970	1.6
67.05506	30.6
69.03422	9.4
69.07071	11.5
70.93346	3.6
71.04994	5.9
75.58092	1.0
79.05493	32.2
81.03419	100.0
81.07056	41.2
83.04980	48.5
83.08616	28.8
85.02901	1.3
85.06526	3.2
87.04461	1.2
90.25990	1.2
91.05484	35.0
91.58824	1.2
93.06486	1.6
93.07046	20.1
95.04968	34.1
95.08605	14.7
97.02886	3.4
97.06532	5.5
97.10182	8.9
99.08088	2.0
99.27708	1.2
105.07037	25.6
107.04968	9.0
107.08587	9.2
109.06502	6.9
109.10145	4.6
111.04449	2.2
111.08073	12.0
113.06005	1.6
115.05445	1.7
117.06980	1.6
119.08592	17.7
121.06509	2.7
121.10151	9.7
123.08072	3.6
123.11668	2.3
125.09550	1.6
128.06229	1.3
129.06998	13.5
131.08568	11.4
133.06514	3.3
133.09418	1.1
133.10159	11.7
135.11705	1.8
137.09615	3.2
141.06979	1.5
142.07848	2.5
145.10086	1.7
147.08072	4.4
147.11691	15.8
149.09639	8.5
151.07567	1.9
155.08537	1.9
157.10139	16.9
165.06961	1.7
165.09212	1.3
165.12730	2.8
167.06989	1.3
167.08510	1.2
169.10094	3.2
175.11177	14.2
181.10194	1.3
183.08052	2.3
183.11710	2.1
193.12245	33.9
196.12462	1.5
211.07591	6.1
211.11157	5.2
211.13274	16.0
211.14874	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.60487	1.1
53.03948	6.0
53.61269	1.1
55.01884	6.2
55.05513	42.7
57.03437	8.5
57.07074	1.2
59.75755	1.3
65.03946	1.4
67.05508	28.7
68.87011	1.0
69.03427	9.9
69.07068	11.5
71.04978	4.0
71.09399	1.7
71.09734	1.3
79.05495	31.7
81.03419	100.0
81.07054	35.0
83.04498	2.7
83.04981	48.4
83.08620	36.1
85.02921	1.4
85.06532	3.5
91.05483	35.3
93.07049	16.7
95.04972	28.5
95.08635	9.2
97.02891	2.7
97.06519	4.8
97.10168	7.1
99.04488	1.2
103.05452	1.4
105.07030	22.1
107.04950	7.2
107.08600	9.8
109.06524	5.6
109.10146	6.6
111.04420	2.6
111.08084	10.8
115.05428	2.2
117.07018	1.9
119.04987	1.8
119.08589	17.9
121.06519	2.9
121.10109	7.3
123.08047	3.2
125.09647	3.4
128.88240	1.1
129.06973	9.6
131.08565	12.1
133.06485	4.7
133.10124	11.2
135.11673	2.2
137.09587	3.3
142.07747	3.3
145.10028	1.3
146.83556	1.3
147.08058	4.6
147.11691	14.3
149.09636	7.1
151.11076	1.6
157.10132	16.4
165.06845	1.5
165.12735	2.7
167.06934	1.4
175.09778	2.0
175.11192	20.2
181.06361	1.8
182.07240	3.1
183.08044	2.1
193.12263	34.2
196.08890	3.2
211.07596	2.2
211.11182	6.1
211.13286	15.2
211.15024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.47849	0.8
53.03931	2.7
55.01851	2.2
55.05278	1.1
55.05513	14.8
57.03419	2.2
57.07054	3.5
59.05005	26.2
60.65524	0.8
65.03928	1.2
65.60280	0.8
67.05508	27.1
68.99757	0.8
69.03432	20.6
69.06737	1.1
69.07070	14.6
70.06572	2.3
70.20554	1.8
70.20945	1.7
71.04997	5.1
79.05490	8.9
81.03387	2.9
81.07062	34.3
83.04984	15.7
83.08247	0.8
83.08625	9.7
85.02863	0.9
85.06527	1.9
91.05492	7.5
93.07051	13.7
95.04974	5.6
95.08609	28.9
96.05311	0.9
97.06509	2.4
97.10153	3.3
99.08105	7.2
101.06033	0.9
105.04455	0.8
105.07034	11.6
105.68030	0.8
107.04951	2.1
107.08600	21.3
108.08886	1.0
109.05803	1.3
109.06520	18.2
109.10163	100.0
110.08057	0.8
110.10473	1.2
111.08086	19.0
113.05997	1.4
117.06970	1.3
118.06502	0.9
119.04877	1.1
119.08584	15.6
121.06460	1.5
121.10143	13.5
123.04388	1.2
123.08078	11.7
123.10844	1.3
123.11713	24.5
125.09642	39.1
125.10572	2.1
127.07534	3.4
127.11186	1.7
131.08522	1.1
133.10136	20.8
135.08040	2.8
135.11700	31.7
137.05951	1.6
137.09621	14.9
137.13228	3.2
139.07523	1.2
139.09465	0.8
139.11201	1.3
147.11679	5.7
149.05936	1.2
149.13281	5.1
151.03963	0.9
151.07515	1.1
151.11197	23.9
151.14824	7.4
153.09085	2.9
153.12721	2.2
155.07089	1.0
155.08545	1.2
155.10616	1.0
157.10164	1.4
165.06998	1.7
165.12791	5.6
165.16357	1.9
167.07080	5.4
169.10062	1.2
169.12213	1.5
173.56100	0.7
175.11156	2.8
175.14841	12.9
183.08086	1.3
183.61548	0.9
193.08626	0.9
193.12262	8.0
193.15929	10.2
196.12361	1.0
211.07771	4.0
211.09438	1.4
211.13269	33.7
211.16801	2.6
225.09261	0.8
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
53.03947	2.3
55.05511	17.8
57.03427	3.8
57.07067	4.8
59.04994	7.9
67.05504	25.6
69.03426	3.6
69.07068	27.6
71.03497	2.2
71.04999	25.5
72.58435	1.8
79.05497	8.1
81.03417	4.8
81.07060	30.4
83.04981	5.7
83.08616	19.5
84.39529	1.7
85.06546	10.0
85.06976	1.6
87.77170	1.7
91.05489	9.4
93.07053	26.8
93.50992	1.9
94.98042	1.6
95.04960	4.5
95.08607	100.0
97.06525	12.5
97.10197	2.3
99.04455	7.4
99.08103	6.7
101.06078	1.8
105.07033	10.5
107.08600	29.2
109.06559	3.4
109.10162	35.5
111.08099	3.0
115.07575	12.8
119.08570	21.2
121.10143	18.0
123.08062	8.1
123.11703	34.4
125.09646	4.3
127.07533	2.4
133.10130	24.0
135.11691	45.3
137.09627	11.0
137.13187	2.3
139.11224	5.0
141.12804	2.4
147.11697	4.9
149.13240	7.9
151.11226	2.6
153.12761	9.8
155.08693	3.0
155.10709	3.2
163.14818	11.0
165.06943	3.7
165.12729	2.1
165.16393	3.4
167.07173	2.3
167.14348	2.1
168.05740	2.9
169.10146	2.5
175.14819	32.3
183.08057	7.6
193.12299	2.8
193.15894	20.2
196.05305	1.9
209.54753	1.9
211.07524	9.1
211.11157	2.5
211.14958	5.5
211.16924	47.5
228.69392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03939	1.4
55.05514	18.2
56.79558	1.0
57.07083	7.3
59.05012	1.5
65.03943	1.2
65.26347	0.9
67.05509	32.3
69.03445	9.8
69.07072	16.2
70.20994	3.1
71.04987	4.2
71.08600	1.1
79.05498	7.0
81.03427	0.9
81.07059	30.3
81.34582	1.0
81.52798	0.9
83.04978	12.0
83.08620	12.2
85.06544	5.6
86.56890	1.0
91.05482	6.9
93.07047	12.3
95.04973	4.0
95.08611	44.6
97.06548	1.8
97.10169	3.3
99.08092	4.7
105.07039	8.3
107.08601	30.1
109.06528	11.8
109.10161	100.0
111.08089	3.7
113.09647	2.4
119.08592	24.0
121.10149	13.4
123.08081	14.6
123.11699	9.7
125.09653	1.6
126.09377	0.9
127.11211	1.6
128.28131	0.9
131.08621	1.0
133.10141	20.3
135.11697	73.6
136.12129	1.2
137.09628	14.6
139.11200	2.0
147.11687	1.8
149.13245	7.3
151.11169	12.4
151.14806	12.1
153.12744	3.5
165.16458	2.7
175.14841	22.0
193.15872	15.9
211.16972	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05511	22.8
55.90163	1.2
57.03432	6.3
57.07087	6.2
59.04999	2.4
66.81599	1.3
67.05506	41.2
69.03420	4.3
69.07070	18.1
69.83407	3.0
69.83801	2.5
71.04997	7.0
71.08607	1.6
79.05490	11.6
81.03411	9.0
81.06591	2.8
81.07056	39.6
83.04984	14.9
83.08626	15.2
85.06543	9.9
91.05482	13.0
93.07040	23.8
95.04965	8.2
95.08608	65.4
97.06537	9.3
97.10161	4.2
98.21443	1.7
99.04500	1.9
99.08096	4.9
105.07040	15.2
107.08598	33.7
109.06516	14.2
109.10160	98.1
111.08087	35.2
111.47403	1.4
113.05994	2.5
113.09638	2.7
113.56151	1.4
115.07587	2.1
119.08587	38.9
121.06470	1.5
121.10155	24.6
122.15040	1.2
123.08073	39.3
123.11708	15.8
125.09625	8.6
127.11192	2.3
131.08553	2.6
133.10138	36.3
135.11691	51.9
137.09622	100.0
137.13255	4.4
138.10406	8.1
139.11179	3.2
147.11703	9.4
149.09709	1.4
149.13242	12.7
151.11176	6.1
151.14793	9.2
153.12802	1.5
155.08600	1.8
157.10133	1.6
163.11244	2.1
165.06989	1.3
165.12740	9.7
165.16428	3.8
169.10085	1.9
171.51558	1.3
175.14847	44.2
183.11716	1.4
193.12248	4.2
193.15881	42.1
199.33153	1.2
211.07574	3.7
211.11307	2.0
211.13249	3.3
211.15009	2.1
211.16896	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.04522	1.8
51.45761	1.5
53.03946	3.6
55.01871	1.9
55.05518	28.8
57.03431	2.2
57.07082	11.1
59.05000	7.8
65.03938	2.7
67.05507	50.8
69.03426	16.8
69.07074	30.8
70.07430	1.8
71.04994	19.8
79.05491	14.1
81.03429	22.1
81.07061	56.3
83.04980	24.4
83.08626	21.2
85.06544	10.5
91.05468	14.3
93.07053	30.0
95.04971	15.8
95.08613	71.7
97.02897	2.5
97.06522	9.3
97.10171	5.3
99.04460	3.1
99.08101	8.8
105.07051	19.2
107.05000	2.4
107.08605	34.7
109.06508	15.7
109.10165	100.0
109.40426	1.7
110.10444	1.8
111.04453	2.4
111.08068	7.2
115.07594	5.8
119.08588	31.9
121.06500	2.6
121.10158	19.2
123.08081	14.7
123.11713	29.7
125.09650	7.7
127.07600	2.9
127.11176	2.6
129.06964	2.2
131.08609	3.2
133.10135	28.1
135.11696	80.6
135.12737	4.0
137.06038	1.9
137.09624	22.0
139.11203	4.0
147.11685	7.1
149.13239	10.1
151.07652	2.5
151.11203	10.7
151.14821	11.8
153.12808	8.7
155.08577	2.4
155.10655	3.4
157.10008	2.7
163.14864	3.9
165.07071	3.0
165.16420	2.1
167.07047	2.5
168.05722	2.7
169.10185	2.8
175.11188	3.0
175.14845	34.5
183.08057	4.0
184.35419	2.2
193.12221	9.2
193.15900	26.6
211.07637	9.4
211.11237	2.0
211.15007	3.4
211.16908	28.8
212.16583	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03928	1.3
55.01860	1.2
55.05271	2.0
55.05515	19.1
57.03425	2.8
57.07074	4.3
59.04993	3.7
62.50516	1.2
67.05508	30.2
69.03432	11.4
69.07069	20.3
69.64940	6.2
71.04983	5.6
71.08611	1.5
76.56805	1.2
79.05501	9.6
81.03420	8.0
81.07063	32.7
83.04990	18.4
83.08622	11.2
85.06535	4.0
91.05484	7.7
93.07048	13.1
95.04966	5.9
95.08612	41.4
97.06524	2.6
97.10182	3.2
99.08089	4.1
105.07045	10.2
107.08593	26.3
109.06535	12.4
109.10163	100.0
111.08078	7.3
113.09635	2.6
119.08571	24.0
121.06493	1.7
121.10152	13.0
123.08064	12.5
123.11701	9.9
125.09662	2.5
130.33151	1.3
131.08574	2.3
133.10127	21.8
135.11693	62.6
137.09627	18.3
139.11208	1.6
145.62515	1.5
147.11720	2.3
148.14079	1.3
149.13249	4.8
151.07645	1.2
151.11195	13.7
151.14856	13.7
153.12801	3.4
155.08591	2.4
165.07011	4.4
165.12752	2.0
165.16467	1.9
167.07098	1.9
175.14833	22.5
183.08067	3.8
192.07733	1.3
193.12241	4.0
193.14227	1.7
193.15897	20.6
211.07616	8.1
211.11261	3.0
211.13278	4.4
211.15009	2.8
211.16939	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.81462	0.6
53.03959	1.9
55.01880	1.8
55.05242	0.8
55.05512	14.4
55.05760	1.0
57.03439	2.7
57.07081	4.1
59.05003	27.5
65.03943	1.3
67.05506	29.3
69.03433	17.8
69.07071	16.0
69.75198	2.4
69.75600	1.5
70.06586	2.3
71.04998	4.7
71.08661	1.0
77.29184	0.6
79.05500	8.5
81.03413	3.0
81.07059	32.2
83.01349	1.1
83.04985	17.7
83.08630	7.9
85.06551	3.3
91.05475	9.1
93.07044	14.3
93.41153	0.7
95.04970	6.6
95.08609	31.8
97.02907	1.1
97.06538	3.0
97.10172	2.3
99.04442	0.8
99.08117	5.1
101.06032	1.5
105.07030	14.9
105.41043	0.7
106.06612	1.0
107.04949	2.2
107.08594	25.1
109.06521	16.5
109.10159	100.0
110.10483	1.3
111.08083	23.1
113.06015	1.2
113.09620	1.2
117.07047	0.8
119.04921	0.8
119.06075	0.9
119.08585	17.7
119.47580	0.6
121.06501	2.8
121.10152	11.8
123.04402	1.7
123.08073	12.7
123.11706	24.6
125.06036	1.2
125.09632	23.6
127.07565	3.7
127.11172	1.2
129.06946	1.1
133.10139	20.6
135.08043	2.0
135.11697	30.5
137.05957	2.1
137.09618	14.8
137.13235	1.8
139.07515	1.2
139.11177	1.4
147.11693	6.4
149.05978	0.9
149.13272	4.5
151.07510	2.4
151.11186	24.3
151.14795	6.3
152.11565	0.8
153.06912	0.8
153.09026	3.5
153.12711	0.9
155.08545	1.2
155.10687	0.7
155.47971	0.7
157.10143	1.0
160.12488	1.0
165.06960	2.0
165.09059	1.0
165.11378	0.7
165.12779	5.5
165.16409	1.6
167.07025	5.9
168.05739	0.7
169.10074	1.6
175.11224	3.3
175.14828	16.3
181.08582	1.4
181.10054	0.8
183.08051	1.1
183.11504	0.9
189.29843	0.7
193.08618	0.7
193.12227	7.5
193.13774	0.8
193.14134	0.9
193.15883	11.8
196.05170	1.0
200.95912	0.6
211.07645	4.5
211.11505	1.5
211.13243	34.3
211.16757	3.0
212.10519	1.6
212.13617	1.2
213.56320	0.7
222.18411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.9563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04424	13.5
66.43849	14.1
71.47559	19.2
73.02898	16.2
75.92387	16.0
81.52377	13.9
86.16563	13.6
94.92989	29.8
102.00978	13.5
110.18752	13.6
136.94022	100.0
153.03931	13.8
194.94585	28.8
212.85164	47.8
212.95612	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02380	1.1
52.77731	0.7
53.03943	3.7
53.29211	0.8
55.01866	1.5
55.05513	1.6
61.02923	8.9
65.03937	7.6
67.05492	3.2
69.03471	0.7
69.07059	0.7
70.06597	7.4
70.99907	1.9
71.01353	1.6
72.08160	11.1
77.03921	1.5
79.05494	18.2
79.05922	1.5
81.03432	1.9
81.07072	1.1
85.02925	1.3
86.09712	11.1
91.05489	10.5
91.39663	0.7
93.03404	11.6
93.07044	1.0
95.04970	3.4
98.97522	0.8
105.03389	0.9
105.04507	1.0
107.04958	26.3
108.02114	3.3
109.02847	1.5
110.03664	25.1
110.07165	1.6
111.04465	7.3
115.67051	0.8
116.07092	1.0
117.03410	2.0
119.04931	8.3
120.05744	0.9
121.06520	9.2
122.03645	6.8
125.05997	65.4
127.03941	3.1
130.96291	1.8
133.02859	13.0
134.03618	0.8
135.04424	27.2
137.05981	5.5
141.05455	2.2
148.97408	2.1
149.05986	20.2
150.03123	11.6
151.03918	100.0
151.05046	13.6
152.04279	0.9
153.05470	12.6
157.06470	1.4
160.58006	0.7
162.03123	2.0
163.03893	7.5
165.05490	36.2
167.07065	15.2
167.08482	1.4
177.05492	17.0
185.16473	1.2
189.97742	0.9
193.39624	1.0
195.06522	14.8
213.05707	1.7
213.07428	6.8
213.09193	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	213.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66901	1.0
53.00383	0.8
53.03942	3.6
55.01875	2.4
55.05510	1.8
61.02934	11.0
65.03939	11.0
67.05496	3.6
69.03410	1.0
70.06595	9.9
70.65455	1.5
70.65770	1.5
72.08163	26.2
74.20659	1.0
77.03929	1.4
79.05496	21.4
81.03426	2.3
81.07079	1.1
83.81649	1.0
85.02901	2.7
86.09709	20.3
86.10192	1.8
88.07648	1.0
89.03918	1.2
91.05489	20.0
93.03409	11.6
93.07052	2.0
94.04214	1.9
95.04980	4.3
98.79652	1.2
98.97612	1.7
105.03399	2.6
105.04524	2.2
107.04967	32.5
108.02114	3.6
109.02892	1.6
109.06561	1.6
110.03671	29.8
110.07185	1.8
111.04452	9.0
116.07117	1.3
117.03426	1.5
119.04951	16.3
121.06521	11.5
122.03652	7.3
123.04422	1.5
125.06001	67.3
127.03941	3.2
130.96298	4.6
133.02867	13.1
134.03636	1.5
135.04427	26.2
137.05978	7.4
141.05518	3.7
148.97374	3.3
149.05992	25.3
150.03137	12.1
151.03923	100.0
151.05048	13.2
153.05470	17.7
157.06558	1.5
162.03133	2.8
163.03920	7.4
165.05502	36.6
165.06897	2.3
167.07054	18.7
177.05484	23.6
177.06860	1.3
177.54617	1.1
185.06078	1.1
185.16504	1.4
189.97664	2.0
195.06541	15.8
195.08221	1.8
213.05550	2.3
213.07574	7.5
213.09308	4.8
213.12598	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	213.091
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
55.05521	0.8
65.03943	8.5
69.07069	1.3
69.42777	0.5
69.93420	1.1
69.93814	1.3
71.33712	0.5
79.05496	0.6
83.08618	0.6
86.17682	0.6
88.07642	2.0
91.05486	100.0
92.05791	1.0
93.07022	0.9
105.07016	1.4
107.04961	3.5
107.08573	1.2
119.04947	78.9
120.05264	1.3
129.07031	1.4
133.82455	0.5
137.05986	35.6
138.06239	0.7
141.07025	1.0
142.07805	1.4
143.08574	2.2
145.10098	0.8
156.09344	1.3
157.10162	4.2
165.07019	0.8
167.08594	0.9
169.10173	0.8
170.10863	1.1
171.11678	3.0
183.08177	0.6
183.11797	0.8
185.09663	0.7
185.13322	1.4
195.08051	3.6
195.11673	1.0
198.10368	0.7
210.06436	0.5
213.09120	40.3
213.12668	5.4
213.16333	8.5
214.09277	0.7
214.21613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
55.05510	2.3
56.96562	1.1
57.03436	0.7
57.07064	0.7
65.03944	7.1
67.05505	4.3
68.43301	0.5
69.07079	2.5
69.53409	3.1
70.06579	1.0
71.04993	0.5
79.05504	2.4
81.07058	5.8
83.08617	1.2
88.07632	1.2
91.05480	100.0
92.05840	0.7
93.07056	4.3
95.04952	1.0
95.08604	1.9
97.06599	0.6
105.07027	1.2
107.04990	3.8
107.08593	2.1
117.06982	1.2
119.04942	71.9
120.05235	0.5
121.10158	1.4
128.06174	0.7
129.07019	2.2
131.08623	0.7
133.10159	0.9
135.11713	1.3
137.05980	32.8
141.07007	0.8
142.07753	0.7
143.08563	1.5
145.10129	1.3
149.01187	0.9
149.13255	1.6
152.06197	0.9
153.09016	0.6
155.08514	0.5
157.06487	1.4
157.10115	2.4
159.11633	0.8
165.06964	1.1
167.08554	1.5
169.10101	0.9
170.07277	1.7
171.08072	0.8
171.11713	2.1
180.92291	0.5
181.06471	0.8
183.08015	0.7
185.07242	0.6
185.09654	1.3
195.08115	3.3
198.06750	1.2
205.16849	0.5
213.05539	2.7
213.09106	39.8
213.12552	1.7
213.16341	4.3
214.09259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.091
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
50.10780	0.5
65.03949	6.5
69.76044	0.6
69.93053	2.7
88.81342	0.6
91.05484	100.0
92.05801	0.8
92.41843	0.5
92.99131	0.6
95.04977	0.7
98.21426	0.7
107.04945	3.4
119.04946	80.0
120.05241	0.6
137.05980	36.5
167.08540	1.4
185.09625	0.7
195.08061	3.6
198.06798	0.6
213.09117	43.0
214.09404	1.0
221.91969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0912
Annotation	3,4-Dihydromorphol
Peak:m/z	Relative Intensity
53.93473	0.5
55.01864	2.0
57.81739	0.6
65.03935	1.8
67.05483	1.6
79.05517	0.7
81.07047	2.4
91.05490	22.6
91.84888	0.5
93.07045	1.7
93.22659	0.4
95.08631	0.7
97.55327	0.5
102.17472	0.5
107.04947	1.2
107.08503	0.6
108.71516	0.5
114.24954	0.4
115.05472	0.6
119.04952	16.4
129.06969	1.0
137.05989	7.8
141.06985	2.7
142.07811	2.6
143.08426	0.6
152.06192	4.4
153.07021	13.3
154.07745	1.7
155.08571	5.8
157.06506	1.6
157.10117	1.1
162.96622	0.5
165.05605	1.0
165.07021	18.0
167.08563	0.8
168.05730	1.3
169.06508	6.3
170.07286	40.4
171.08083	2.5
171.11638	0.6
178.16959	0.5
180.05669	1.2
181.06497	29.8
182.07294	31.9
183.08072	19.1
185.09631	9.0
193.07561	0.5
195.08113	4.9
196.08688	0.6
197.06015	4.5
198.06798	24.0
199.07379	1.1
201.12387	0.5
212.08307	1.7
213.09122	100.0
214.09387	2.6
230.12213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
50.31084	0.5
54.96986	0.5
55.01876	1.1
55.05511	1.5
56.05032	1.7
56.96304	0.9
56.96570	12.5
57.03426	0.8
60.05631	0.7
61.02927	0.9
64.11253	0.5
64.75140	0.6
65.03944	7.8
67.05487	0.9
68.05047	0.7
69.03426	2.8
69.07062	1.9
70.05362	2.0
70.06210	1.2
70.06597	25.1
70.94253	0.6
71.95269	1.1
72.08160	5.8
73.02914	1.2
73.83786	0.6
74.06075	1.1
79.05503	1.7
83.06097	0.9
84.04513	1.5
84.08150	3.7
84.96030	1.9
85.02927	1.1
86.09714	13.7
88.95322	0.7
91.05489	100.0
93.04571	0.6
93.07053	1.0
95.04993	1.4
97.02889	1.1
98.06043	0.6
98.20852	0.7
98.97591	10.7
103.05466	0.7
107.04964	13.0
107.05649	1.1
109.02894	0.9
110.03645	0.9
110.07185	5.5
110.97604	3.7
111.04449	0.8
112.07619	6.5
113.07961	0.9
116.07117	3.7
116.98645	5.0
119.04951	77.3
120.05370	0.7
120.08152	1.0
121.06512	0.6
121.08411	1.0
122.03661	0.7
123.04436	0.6
125.06010	3.6
128.98666	3.1
130.08646	4.6
130.96324	2.5
131.04897	0.6
134.99678	1.0
135.04445	2.3
137.05992	35.8
140.00238	0.6
141.03154	0.6
143.00195	2.2
146.99773	1.0
148.97403	2.3
149.06017	4.1
151.03918	5.1
151.05038	1.1
152.06134	0.8
153.05466	1.4
155.04680	1.7
156.03406	3.0
156.07741	1.0
157.06528	1.4
158.06491	2.7
158.99684	1.6
159.06792	2.0
161.01321	0.8
161.04655	0.8
162.99219	0.6
164.05226	0.7
165.05537	2.6
165.06920	1.1
167.07137	1.2
167.08658	2.4
168.03299	0.9
170.99684	1.3
174.04340	1.3
175.11934	0.9
177.05559	0.8
185.09647	1.0
185.16522	0.9
186.04453	3.6
186.93184	0.6
189.00780	2.7
189.07938	1.4
189.97644	1.2
190.03798	1.3
195.06525	1.0
195.08165	3.8
204.05487	2.2
213.09192	37.6
213.12465	3.6
213.15964	1.1
214.07248	1.4
218.99774	0.5
219.01736	1.0
231.08922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
55.05519	2.4
56.96561	1.2
65.03941	7.8
67.05489	0.9
68.99759	0.4
69.03431	0.9
69.07069	2.1
69.82178	2.1
70.06593	6.6
72.08160	21.1
79.05486	2.3
81.03428	0.8
84.08128	0.6
85.02933	0.6
86.09708	27.4
88.07621	0.7
88.95298	0.5
91.05484	100.0
92.05789	0.6
93.03411	1.6
95.04964	1.9
98.97603	0.7
107.04958	8.2
109.06537	0.5
110.03635	2.9
110.07177	1.8
111.04448	0.8
116.07109	1.3
119.04944	75.3
120.05291	0.8
121.06515	1.8
125.06002	8.1
127.03917	1.1
128.06274	0.7
129.07077	0.6
130.96324	2.1
133.02901	1.1
135.04430	3.3
137.05981	36.1
138.06374	0.8
140.04695	0.8
145.06494	0.6
148.97417	1.9
149.05984	2.1
150.03076	1.2
151.03940	9.9
151.05049	1.2
152.06142	0.9
153.05521	2.4
156.07674	0.4
157.06541	1.8
162.03143	0.6
163.03896	1.0
165.05511	4.8
165.06818	0.7
167.07056	2.7
167.08560	1.7
177.05530	2.6
177.06895	0.8
177.08992	0.6
185.09717	0.9
185.16464	2.4
189.97675	0.9
195.06505	2.3
195.08109	3.3
198.06796	0.7
207.98729	0.7
213.05653	1.4
213.07675	1.7
213.09126	43.2
214.09283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03941	5.2
55.01865	4.9
55.05510	11.3
56.96568	1.7
57.03441	1.6
57.26543	0.9
65.03933	3.4
67.05519	5.8
68.99776	1.8
69.03423	6.3
69.07053	6.5
70.06590	47.8
71.04979	3.8
71.05695	1.8
72.08154	3.5
78.04700	1.4
79.05492	26.2
81.03426	7.5
81.07058	15.5
83.04979	4.9
84.08153	2.1
85.02888	3.1
86.09705	5.8
88.07629	2.6
91.05481	100.0
93.07043	32.1
95.04971	11.1
95.08626	5.2
97.02888	3.6
97.06551	6.2
98.97571	1.5
99.04472	5.5
103.05480	3.5
105.03378	1.4
105.04512	1.7
105.07034	39.9
107.04962	32.8
107.08590	61.7
109.02865	3.5
109.06509	8.9
109.10163	3.0
110.03642	1.5
110.07145	2.6
111.04453	4.4
111.08059	1.3
115.05421	1.8
116.06226	3.2
116.07094	6.0
117.07028	4.1
119.04946	76.8
119.08581	80.2
120.05721	5.5
120.08078	1.4
121.02848	2.9
121.06501	5.2
121.08477	3.0
121.10140	37.6
123.04437	12.1
123.08060	7.6
123.11713	2.2
125.02356	5.6
125.05997	12.1
125.09600	2.3
127.03893	6.5
128.06192	1.4
129.06972	4.6
130.96309	5.8
131.08562	31.3
132.05727	1.1
133.06496	3.9
133.10144	3.1
135.04391	8.9
135.08051	9.1
137.05957	8.3
137.09583	1.4
139.03900	2.6
139.11189	3.8
140.04672	22.1
141.05467	7.7
141.06998	2.2
147.08046	34.8
148.97386	7.8
149.05891	1.3
149.09622	53.1
151.03897	3.9
151.11169	3.0
152.06149	6.6
153.01773	1.4
153.05473	18.7
153.06744	1.7
153.09106	2.3
155.07025	15.1
157.06490	4.4
157.10100	2.4
159.08043	8.3
163.03900	11.4
165.05489	3.4
165.07002	5.7
165.09120	27.6
166.07809	2.1
167.03407	3.8
167.07048	7.5
167.08594	6.4
167.10681	9.9
169.06474	1.5
176.06296	2.5
177.05524	2.0
177.06924	4.5
177.09116	37.1
177.10667	2.2
181.06445	1.7
185.05898	1.9
185.07315	1.7
185.09607	3.1
189.97655	3.5
195.06721	6.0
195.08142	7.2
195.10176	36.4
198.06718	2.5
213.05659	2.5
213.09097	29.7
213.11246	20.6
213.16458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03950	1.8
55.01886	3.2
55.05505	2.7
56.96568	3.9
57.03440	1.6
61.02936	1.0
62.10142	0.6
65.03957	3.3
67.05502	3.3
68.99781	1.1
69.03439	6.4
69.07074	4.5
69.65945	0.5
70.06596	28.5
71.04992	2.2
71.48197	1.0
71.95247	0.8
72.08158	12.1
72.86073	0.6
73.02908	1.3
77.03938	1.0
79.05488	8.0
81.03416	2.5
81.07066	4.3
83.04987	1.6
83.08630	0.7
85.02914	5.5
85.06551	0.7
86.09707	18.7
87.04505	0.9
88.07624	1.5
91.05486	100.0
92.05802	0.7
93.07046	16.5
95.04974	6.3
95.08614	2.4
96.08145	1.0
97.02914	3.5
97.06530	1.8
98.97622	1.9
99.04472	2.7
103.05482	1.4
105.03406	0.7
105.07040	17.9
107.04959	11.7
107.08599	27.7
109.02876	2.1
109.06538	2.4
109.10164	1.3
110.03706	0.7
110.07176	2.5
111.04443	1.3
113.05985	0.7
114.09198	1.1
115.05448	1.3
116.06331	1.0
116.07069	3.3
117.07016	1.7
119.04951	98.2
119.08588	43.6
119.09469	0.7
120.05769	8.9
121.02911	1.6
121.06525	2.8
121.10149	18.8
123.04476	0.7
123.08070	3.0
125.02362	1.0
125.05957	1.9
125.07129	1.3
125.09633	2.5
127.03920	3.5
128.06238	1.4
129.07028	2.7
130.96297	1.9
131.08575	16.0
133.06480	5.3
133.10138	6.2
134.96870	0.7
135.04416	1.8
135.08058	8.1
135.11722	1.2
137.05986	2.6
137.09685	1.1
139.07477	0.9
141.05533	0.8
141.06987	1.5
142.07710	1.1
142.08693	1.2
144.05663	1.7
145.06561	0.9
147.08060	7.6
148.97363	2.2
149.09633	24.9
151.03966	2.1
151.07487	4.1
152.06209	5.7
152.23299	0.7
153.05460	2.8
153.07018	1.1
153.09108	3.0
157.06473	4.9
159.08072	3.6
165.07030	6.4
165.09123	10.0
166.07761	1.6
167.07184	0.6
167.08560	8.7
167.10687	8.4
169.06410	1.3
169.07695	0.7
170.07259	1.0
171.03215	0.9
171.08040	1.0
171.54741	1.1
176.06226	1.7
177.07016	6.8
177.09129	25.9
177.10672	1.4
180.03378	0.9
180.55222	7.4
181.06599	1.6
183.08022	1.0
185.05847	1.7
185.07265	1.0
185.09644	2.6
185.16496	1.5
189.04378	1.0
189.55756	15.6
190.05954	2.3
194.07297	1.0
195.06561	1.2
195.08107	7.6
195.10187	19.0
198.04436	5.3
198.06746	2.6
207.98651	0.6
213.06731	4.9
213.09123	25.4
213.11252	16.6
214.09482	0.7
216.05458	9.4
217.05858	0.7
223.97455	0.7
234.06607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.59037	1.1
53.03916	1.2
55.01859	1.0
55.05503	2.6
58.32116	1.0
59.33684	1.0
65.03937	7.2
67.05504	5.8
69.03423	1.5
69.07051	3.8
70.06602	1.8
71.04983	1.4
71.21580	2.1
79.05482	3.9
79.48568	0.9
81.07053	4.8
83.08611	2.5
88.07623	1.9
91.05484	100.0
91.28145	1.1
92.05806	1.3
93.07052	6.0
94.86829	1.1
95.04986	1.9
95.08599	2.3
102.41350	1.1
105.07022	2.2
107.04942	3.2
107.08608	3.6
117.07020	1.3
119.04946	75.0
119.08550	1.6
121.10130	3.2
127.03891	1.7
128.06177	2.6
129.07002	4.2
131.08545	2.1
133.10101	1.2
135.11710	2.6
135.66899	1.1
137.05978	32.8
141.07011	2.2
142.07777	3.5
143.08534	5.6
145.10132	3.4
149.13306	1.4
152.06213	2.1
153.06993	4.0
154.56779	1.0
155.08572	2.3
157.06482	3.5
157.10144	6.9
159.11728	1.6
165.05762	1.3
165.06960	5.5
167.08553	2.2
169.06413	2.0
170.03665	2.3
170.07245	8.7
170.10927	1.1
171.08018	2.9
171.11682	5.8
180.05634	1.2
181.06476	6.3
182.07256	5.4
183.08047	3.7
185.05925	2.4
185.09625	5.4
185.13214	1.5
195.06564	1.5
195.08073	5.0
198.06735	6.4
213.05574	9.2
213.09122	63.1
213.12694	5.2
213.16382	13.4
214.09369	1.9
234.85649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03937	1.0
53.99181	0.7
55.01873	6.5
55.05514	35.2
55.99595	0.8
57.03437	0.8
57.07079	1.1
59.05001	0.8
65.03944	7.8
67.05508	14.2
69.03443	5.4
69.07070	8.9
70.06580	2.7
70.77763	0.8
71.04996	30.1
71.48483	1.2
79.05502	11.9
81.03400	1.9
81.07059	16.8
81.77595	0.9
83.04977	2.8
83.08620	20.0
85.06528	4.2
87.04491	4.9
88.07619	0.8
91.05486	100.0
91.76326	0.8
92.05801	1.1
93.07042	8.2
95.04992	1.2
95.08616	5.5
97.06536	39.7
97.10172	28.2
99.04430	1.0
101.09679	0.9
105.07005	2.3
107.04977	4.7
107.08597	11.2
109.06493	1.0
109.10149	7.8
111.08080	1.9
115.05416	0.8
117.07033	2.3
119.04948	76.3
119.08584	2.4
121.06512	1.5
121.10165	2.9
123.38177	0.8
125.09634	15.4
127.03907	2.1
128.06248	1.8
129.06982	2.3
131.08575	2.5
133.10153	2.1
135.08060	2.5
135.11697	3.0
137.05991	34.6
141.07047	1.7
142.07803	2.5
143.08556	2.9
145.03857	1.3
147.11693	0.9
149.09627	1.0
149.13232	2.3
152.06206	1.4
153.09157	1.2
157.06503	3.8
157.10133	4.9
159.11690	3.2
165.07004	2.2
167.08623	1.9
169.10033	1.0
170.07286	2.3
171.08087	2.4
171.11661	4.3
177.12779	2.6
177.16417	1.4
178.21953	0.9
181.06596	0.8
185.05902	1.0
185.09657	2.5
185.13333	0.9
189.11227	2.6
195.08055	4.1
195.13802	19.0
198.06770	2.5
213.05614	2.5
213.09126	47.4
213.10826	2.5
213.12650	1.9
213.14786	40.7
213.16510	5.2
214.15349	1.2
234.60068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01863	5.0
55.02101	1.1
55.05513	7.3
57.07076	2.6
65.03946	3.8
65.82151	1.0
67.05505	5.3
67.48840	1.1
69.03420	3.9
69.07072	11.5
69.30241	1.5
69.30647	7.8
70.06586	7.8
71.04985	3.8
72.08152	1.6
79.05486	7.7
81.03436	1.9
81.07059	14.4
83.08606	6.5
85.02905	1.7
85.06532	3.2
91.05484	93.8
93.07050	12.6
95.04956	6.4
95.08610	20.7
95.09192	2.2
97.06493	1.6
97.10147	2.6
98.21591	1.9
98.97560	3.6
99.08092	19.5
99.18611	1.1
105.07035	4.3
107.04946	9.7
107.08595	26.5
108.05304	1.4
109.06527	2.4
109.10137	5.8
111.08105	8.7
113.09641	2.5
115.05486	1.5
119.04948	90.5
119.08596	2.9
120.05734	7.0
121.02876	1.6
121.10143	47.3
123.08060	6.2
123.11703	2.2
125.09641	4.3
127.03937	2.2
128.06247	1.6
129.07048	1.8
131.08565	2.5
133.10094	2.0
135.08041	1.8
135.11687	6.9
137.05983	7.5
137.13239	4.6
139.11183	1.8
141.06976	3.2
142.07808	3.4
143.08585	2.1
144.05737	1.7
149.09648	9.6
149.13274	2.8
152.06232	9.2
153.05672	1.9
153.06984	13.8
154.07796	1.9
155.08534	5.3
156.09332	1.8
157.06532	3.7
157.10149	3.6
165.07016	19.5
167.08522	9.3
167.10677	2.3
168.05736	2.0
169.06491	5.6
169.08597	2.5
170.07283	37.1
171.07993	3.5
171.11684	3.1
176.06238	2.5
177.07011	5.1
177.09074	9.9
177.16388	52.9
180.05685	1.8
181.06485	28.7
182.07278	31.9
183.08064	15.5
185.05835	1.6
185.07256	1.4
185.09586	9.1
194.07191	1.1
195.04408	1.9
195.08101	9.8
195.10168	5.6
195.17429	5.5
196.09358	1.1
197.05994	4.1
198.06769	25.3
212.08243	2.3
213.09134	100.0
213.11121	10.3
213.16341	5.0
213.18529	3.9
214.09502	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.85632	1.3
53.03950	1.7
55.01849	2.0
55.05270	1.7
55.05516	15.3
57.07073	3.8
59.05001	2.8
65.03935	5.6
67.05511	45.0
69.03435	2.6
69.07070	19.9
70.06577	5.1
71.04996	40.0
72.08140	2.7
73.06557	2.0
79.05492	10.5
81.03418	2.4
81.07065	44.1
81.41774	1.5
83.08600	8.0
85.06526	2.0
86.09714	1.6
91.05488	66.2
93.07052	20.8
95.05002	1.8
95.08616	27.1
97.02872	1.7
97.06532	2.0
97.09563	1.2
97.10183	4.8
99.04471	1.9
99.08101	4.2
105.07033	4.6
107.04967	4.4
107.08596	26.3
109.02911	1.5
109.10162	100.0
119.04949	48.7
119.08572	3.5
121.10154	37.1
123.11702	12.4
124.02208	2.2
125.06052	2.3
125.09646	5.6
125.13288	3.3
125.67666	1.9
127.03906	1.7
127.11193	2.9
128.06267	2.2
129.06967	3.6
135.11702	14.0
137.05986	22.2
137.13251	5.6
141.06969	1.7
142.07777	4.5
143.08580	4.6
149.09650	2.3
149.13255	4.2
152.06287	2.3
153.06998	1.4
153.12805	10.1
157.06480	3.2
157.10081	7.1
165.07021	2.0
167.08574	4.4
170.07283	2.6
171.07770	1.4
171.11658	9.4
177.12723	1.4
177.16400	26.4
184.89665	1.4
185.07260	3.1
185.09599	4.6
195.02313	1.4
195.08107	5.8
195.13811	2.9
195.17461	30.0
198.06807	1.6
201.13438	1.3
213.03725	6.2
213.05579	2.6
213.09140	41.1
213.12651	4.2
213.14586	2.0
213.16403	10.3
213.18512	12.7
228.89439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85632	1.3
53.03950	1.7
55.01849	2.0
55.05270	1.7
55.05516	15.3
57.07073	3.8
59.05001	2.8
65.03935	5.6
67.05511	45.0
69.03435	2.6
69.07070	19.9
70.06577	5.1
71.04996	40.0
72.08140	2.7
73.06557	2.0
79.05492	10.5
81.03418	2.4
81.07065	44.1
81.41774	1.5
83.08600	8.0
85.06526	2.0
86.09714	1.6
91.05488	66.2
93.07052	20.8
95.05002	1.8
95.08616	27.1
97.02872	1.7
97.06532	2.0
97.09563	1.2
97.10183	4.8
99.04471	1.9
99.08101	4.2
105.07033	4.6
107.04967	4.4
107.08596	26.3
109.02911	1.5
109.10162	100.0
119.04949	48.7
119.08572	3.5
121.10154	37.1
123.11702	12.4
124.02208	2.2
125.06052	2.3
125.09646	5.6
125.13288	3.3
125.67666	1.9
127.03906	1.7
127.11193	2.9
128.06267	2.2
129.06967	3.6
135.11702	14.0
137.05986	22.2
137.13251	5.6
141.06969	1.7
142.07777	4.5
143.08580	4.6
149.09650	2.3
149.13255	4.2
152.06287	2.3
153.06998	1.4
153.12805	10.1
157.06480	3.2
157.10081	7.1
165.07021	2.0
167.08574	4.4
170.07283	2.6
171.07770	1.4
171.11658	9.4
177.12723	1.4
177.16400	26.4
184.89665	1.4
185.07260	3.1
185.09599	4.6
195.02313	1.4
195.08107	5.8
195.13811	2.9
195.17461	30.0
198.06807	1.6
201.13438	1.3
213.03725	6.2
213.05579	2.6
213.09140	41.1
213.12651	4.2
213.14586	2.0
213.16403	10.3
213.18512	12.7
228.89439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56217	0.8
55.05510	0.9
56.96307	1.4
56.96567	19.2
58.99878	0.9
68.98301	0.8
69.03419	1.2
69.07063	7.4
69.85337	3.6
70.06596	5.3
70.98110	2.6
71.06938	0.9
71.95245	1.1
72.08135	2.0
73.02896	1.4
75.48727	0.9
79.05464	0.8
82.99842	7.4
84.04516	1.7
84.08143	4.8
84.96009	1.6
85.02889	1.8
86.09709	100.0
87.10065	1.3
97.02913	1.4
97.05997	1.1
97.06535	10.9
98.97591	11.5
99.97899	1.0
100.02461	2.5
100.99149	3.9
101.00883	47.1
102.00947	0.9
102.92589	3.5
107.04972	1.0
110.07156	1.8
110.97581	4.5
112.02454	2.3
113.00851	1.4
116.98603	2.6
118.03513	6.7
118.92074	1.5
119.01923	79.0
120.02042	1.2
126.04017	1.1
126.97057	1.7
127.03789	0.9
128.04190	1.0
128.98595	3.0
130.03497	3.5
131.01926	4.9
136.06192	15.9
136.93114	2.3
137.02960	12.5
137.04567	0.9
138.91888	0.9
142.01686	1.0
143.01816	1.3
143.05051	0.9
144.05069	2.9
144.08662	2.5
144.98102	1.4
145.01711	1.0
146.99606	1.8
149.02962	1.2
150.96860	1.5
154.03484	3.5
154.94157	2.0
155.01913	1.2
155.05537	3.2
155.08173	0.9
158.99681	1.0
161.02998	1.1
162.09721	1.0
165.00749	1.6
168.08691	7.6
172.04573	3.1
172.97597	2.6
173.02979	1.6
173.06590	3.1
184.08218	1.4
186.09770	74.6
187.09839	2.2
190.98636	4.1
191.02347	1.3
191.04004	2.8
191.07654	1.7
196.08195	3.4
196.95226	1.2
197.06619	5.9
197.10370	1.7
202.51732	2.9
204.10828	22.2
208.99660	3.5
211.52290	7.6
214.03807	1.5
214.07552	1.8
214.09241	39.1
215.07646	5.7
232.10310	67.5
233.08655	3.8
233.10677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	(4R,5R)-dethiobiotin
Peak:m/z	Relative Intensity
53.03932	0.9
55.01862	1.5
55.05515	3.1
56.05032	0.8
57.03432	1.0
58.06589	0.8
65.03945	0.6
67.05507	9.1
69.03430	5.7
69.06730	0.6
69.07074	6.8
70.02954	0.4
70.06602	2.5
70.95824	0.5
71.04996	5.1
71.48661	0.5
72.08134	0.5
72.93774	0.5
74.09719	0.8
79.05506	3.3
80.05022	0.4
81.03419	1.1
81.07053	4.0
83.04959	0.9
83.08633	0.5
84.04490	0.4
84.08129	0.7
85.02914	0.6
90.94804	0.9
91.05486	4.9
92.05803	0.6
93.07046	4.7
94.06566	0.7
95.04966	1.4
95.08613	10.7
96.04494	1.6
96.08147	0.5
97.02884	0.8
97.06557	0.6
98.97587	0.7
98.98426	0.4
99.04526	0.6
99.05578	4.6
103.05427	0.8
105.07036	4.9
107.04939	1.3
107.08589	1.7
108.08109	0.7
109.06522	1.0
109.10164	7.5
110.09680	1.4
111.05576	3.5
111.11723	0.8
112.11259	0.5
113.52105	0.4
115.05448	1.0
117.07020	2.1
119.04958	1.1
119.08576	3.9
120.05289	0.5
121.06511	1.7
121.10124	0.9
123.11714	0.5
124.11259	0.6
125.07113	0.6
126.12814	1.0
127.03942	0.6
128.06229	0.9
129.07018	1.8
131.04982	0.5
131.08569	3.1
132.82315	0.4
132.95833	3.7
133.06477	0.6
133.10152	1.6
134.09673	0.8
135.11612	0.5
136.07532	0.4
136.11229	7.1
137.05984	0.7
137.07085	0.6
137.09592	2.0
141.06973	1.9
142.07776	0.6
143.08553	1.1
144.05711	2.0
144.09357	0.8
145.06451	2.0
145.09039	0.7
145.10115	4.7
147.11758	0.6
150.96919	3.2
151.08676	0.5
151.12308	1.2
152.10733	0.6
153.07018	0.5
154.07777	0.9
154.12268	4.9
155.08559	1.6
157.10091	1.2
158.07286	0.9
158.21155	0.5
159.08054	2.2
159.11716	5.2
169.06462	1.3
169.07654	1.2
169.10170	2.3
169.13385	0.7
171.08112	0.9
171.11667	1.0
172.05203	1.0
172.08833	1.7
173.06090	0.5
173.09627	2.3
173.13283	2.1
178.75784	0.4
179.08539	0.8
179.11804	25.8
187.07567	2.2
187.11200	4.5
187.14803	0.6
191.97141	1.6
197.05896	1.0
197.12866	100.0
198.11565	0.4
198.13194	1.2
200.08342	0.5
215.06952	4.1
215.10733	7.6
215.14040	9.8
215.17900	6.7
216.07367	0.4
216.14563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.89543	0.7
55.05512	4.2
57.07069	2.4
65.03941	1.2
66.23837	0.7
67.05511	4.7
69.07066	5.0
70.06602	0.9
71.08643	0.9
72.08158	0.8
72.93790	0.9
74.09719	3.2
79.05486	5.6
81.07050	11.8
83.04999	0.8
83.08621	2.1
90.94806	0.8
91.05490	8.9
93.07045	10.7
95.04958	0.8
95.08602	8.0
98.98491	0.9
103.05489	0.9
104.37516	0.7
105.07034	21.6
107.08599	12.4
109.10159	3.7
115.05470	1.9
116.06268	0.8
117.07030	8.5
119.08582	15.1
121.10140	10.0
123.11701	1.5
126.09126	1.8
128.06219	1.1
129.06985	5.1
130.07779	3.1
131.08571	35.5
132.95831	3.5
133.06445	0.9
133.10143	7.5
135.11661	1.9
141.06990	0.9
142.07767	1.1
143.08537	4.3
144.09343	8.0
145.06448	1.6
145.10129	43.4
145.89276	0.7
147.11719	5.6
150.96883	4.3
157.10144	5.5
158.10948	2.8
159.08122	2.0
159.11697	100.0
160.12389	2.0
169.10094	1.4
171.11671	2.4
172.12445	1.0
173.09622	1.2
173.13261	24.6
185.13248	0.9
186.14044	1.7
187.11189	1.3
187.14815	6.8
191.97125	1.3
197.09586	1.2
197.13235	0.9
198.11307	0.8
200.15581	1.0
213.29782	0.7
215.07077	2.4
215.10709	2.8
215.14404	4.4
215.17957	88.4
216.12358	2.1
216.18251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0497
Annotation	BERGAPTEN
Peak:m/z	Relative Intensity
52.33341	0.7
55.01862	0.3
55.05513	3.7
59.05007	0.6
63.85910	0.3
67.05499	1.1
69.07084	0.5
70.46506	0.3
70.91969	0.4
70.92307	0.6
72.17651	0.4
79.05494	0.7
81.07058	0.9
83.04986	5.6
87.04463	1.0
89.02416	0.4
89.03956	0.4
89.06030	1.2
91.05481	2.2
93.07040	0.8
95.04949	0.4
95.08601	0.9
99.04468	0.8
101.06026	2.4
105.07032	2.3
107.08588	0.5
109.10173	0.5
111.04448	8.3
113.06007	0.8
115.05461	4.5
117.07026	2.0
118.04151	1.8
119.08558	1.4
121.06475	0.5
121.10165	1.1
122.92529	0.4
127.07551	1.2
128.06262	0.6
129.05487	0.9
129.07005	0.9
131.04932	2.2
131.08571	0.6
133.06471	1.1
133.10098	0.9
143.04912	0.7
143.08566	0.7
145.06517	0.7
145.10095	0.4
146.03629	2.7
147.11688	0.6
155.07033	9.9
157.10132	1.0
158.03665	1.1
159.11720	0.8
161.05983	2.2
161.09572	0.8
161.13283	0.5
171.11658	0.6
173.05980	3.6
173.08107	4.3
174.03134	17.7
174.18555	0.6
174.92769	0.4
178.02676	0.8
189.05449	0.8
189.09042	0.5
199.09700	0.4
199.11490	0.4
199.14842	0.8
202.02617	89.9
203.02969	2.0
206.58015	0.3
217.04967	100.0
217.10536	4.4
217.15739	1.7
217.19437	0.9
218.05356	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	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03948	0.6
55.01870	0.4
55.05513	17.5
56.05037	0.7
56.96567	7.2
56.96855	0.3
57.03435	0.4
57.05815	0.9
57.07065	0.4
58.22012	0.2
59.05006	0.7
60.04529	0.6
67.05508	1.0
68.23397	0.2
69.03424	2.0
69.07083	0.8
69.84009	0.6
69.84396	0.5
70.02984	0.2
70.06596	2.7
70.98121	3.6
71.05004	0.6
71.95287	0.2
72.08157	100.0
73.02930	0.6
73.06564	0.6
73.08492	0.3
74.06091	0.4
76.03998	0.4
77.02399	0.2
79.05483	0.3
81.03426	0.7
82.99892	0.2
83.04988	8.8
83.08613	0.4
84.04507	0.7
84.08150	5.4
84.96027	0.7
85.02905	0.7
85.06549	0.9
85.08502	0.2
86.09715	1.3
87.04482	1.3
88.03997	0.5
88.99160	1.9
89.02402	0.6
89.06026	1.6
91.05499	0.5
97.02894	1.1
98.97592	10.4
99.04445	1.2
101.00885	1.7
101.06016	3.4
103.00657	0.2
103.02420	0.4
105.07053	0.3
107.00212	0.4
107.04972	1.8
108.05296	1.6
109.02888	0.3
110.02390	0.2
110.06057	0.9
110.07178	0.3
110.96963	0.2
110.97571	9.4
111.04446	12.8
111.06393	1.0
112.07614	1.5
112.99171	0.3
113.06011	1.5
115.00690	0.2
115.05441	0.4
115.08683	0.3
116.07102	1.0
116.98624	3.9
118.08655	3.2
119.01923	1.8
120.08083	0.2
124.95484	0.2
124.99173	0.3
127.00661	0.3
127.02393	0.4
127.07571	1.4
128.98613	7.4
129.05489	2.4
129.07007	0.2
129.10231	1.9
130.08653	2.0
130.10620	0.2
131.00192	0.3
131.01900	0.2
131.04900	0.3
132.95868	0.3
133.06459	0.4
134.99689	0.9
136.06168	0.3
137.05991	0.6
140.98657	0.3
141.10214	0.3
143.00191	0.2
143.01863	0.3
143.04884	0.2
144.08063	0.5
144.98080	0.5
145.01698	0.4
145.03453	1.7
146.06012	0.2
146.99660	2.7
147.01378	0.4
147.03305	0.3
147.06467	0.3
155.04675	1.0
155.07034	15.2
156.03313	0.7
158.08122	0.5
158.99670	1.5
161.05992	0.2
162.96861	0.3
162.99226	0.4
163.02820	0.4
163.04526	0.5
168.03326	0.5
171.01387	0.4
171.14948	1.1
173.02879	0.3
173.05902	0.5
173.08102	9.3
174.03140	1.7
174.99168	1.2
175.11884	0.4
177.00732	1.3
186.04388	0.9
189.02444	0.6
193.00230	1.7
199.09657	0.8
199.14430	0.3
202.02625	8.7
204.05441	0.5
204.13495	0.4
211.01189	0.3
217.00195	0.5
217.04976	10.9
217.10773	7.9
217.12943	0.5
217.15408	2.9
228.05461	0.7
235.01047	0.4
237.02742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
51.02365	0.8
51.71716	1.0
51.90078	0.7
52.08672	0.7
53.03952	1.3
55.05516	15.6
57.07079	1.7
60.05629	0.8
65.03925	0.9
67.05508	21.1
69.06736	1.0
69.07074	14.0
70.06582	1.0
71.13615	1.9
72.08166	0.9
73.05773	0.8
79.05498	10.6
81.04525	0.9
81.07061	39.6
83.04980	10.0
83.08623	5.5
87.04464	1.3
88.94792	0.8
89.06034	1.4
91.05481	12.7
91.31139	0.7
93.07050	29.4
95.04893	0.9
95.08612	47.4
97.10153	1.7
100.11247	1.1
101.06013	3.6
105.07037	32.7
107.08601	34.4
109.06446	1.0
109.10165	44.8
110.07161	1.3
111.04445	14.4
111.08028	1.1
113.05998	1.4
115.05431	1.6
117.07040	2.4
119.07719	1.0
119.08586	28.7
121.10155	32.7
123.10845	1.3
123.11713	20.9
127.07545	1.8
129.05452	3.8
129.06973	1.3
131.04973	1.4
131.05977	0.8
131.08569	1.9
133.07613	1.3
133.10143	18.6
134.07126	2.6
135.06644	1.6
135.11702	15.2
137.13258	2.5
142.07686	0.8
143.08551	1.1
145.10112	1.3
147.11694	27.4
149.08240	1.3
149.13289	4.6
155.07027	17.0
157.10153	2.1
158.07117	1.7
159.06689	1.0
159.11746	5.5
161.06042	1.6
161.13266	55.3
173.08109	9.5
173.13306	1.6
174.03119	4.7
175.09821	1.7
175.14841	8.0
176.09344	1.1
189.16441	4.2
193.84645	0.8
199.11528	1.4
199.14871	1.9
202.02628	18.6
217.04964	22.8
217.10432	8.8
217.12694	4.9
217.15881	6.7
217.19524	100.0
218.19748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50304	22.0
64.26704	22.2
69.82474	26.3
70.31390	48.8
70.31785	60.2
98.97583	100.0
99.41595	25.1
101.00888	60.6
119.01942	36.0
210.89145	25.0
219.02690	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05512	1.4
56.96583	1.3
59.05003	1.6
60.04522	7.8
60.49692	1.0
61.02932	24.6
67.80613	1.1
70.06618	1.3
70.72847	3.5
71.01355	44.2
72.08173	2.2
73.02930	1.3
75.04482	58.2
85.02857	1.1
86.09716	7.0
87.04472	21.3
89.02384	8.5
90.05542	1.3
91.05457	1.3
98.97591	4.1
101.06042	1.9
103.03942	73.1
107.04984	1.8
119.08550	1.4
120.01289	1.3
120.08078	2.6
121.10146	1.9
131.03401	16.8
131.04939	3.8
131.08612	1.6
132.10210	3.4
135.04378	1.8
145.06494	3.6
159.02898	100.0
161.04533	2.1
163.03862	2.4
173.05994	3.1
173.12862	2.0
187.02376	9.7
203.14342	5.9
219.04900	8.6
219.17448	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.2
55.05489	1.3
59.04985	1.9
60.04541	8.2
60.95851	1.4
61.02928	22.7
61.36439	1.4
69.07076	1.9
70.95350	1.2
70.99806	2.2
71.00977	2.4
71.01356	41.6
72.08150	3.4
75.04482	54.7
75.63071	1.1
75.67531	1.3
79.05482	1.4
80.03408	1.1
81.07043	1.5
84.08172	1.5
85.02886	1.6
85.06548	2.3
86.09702	9.2
87.04475	20.5
89.02397	8.4
90.05558	7.2
91.05487	1.8
95.08588	1.6
98.02415	1.5
98.97572	3.4
103.03944	72.0
107.04968	1.5
116.03461	1.2
117.06961	1.2
119.08570	2.3
120.08086	6.7
131.03433	16.7
131.04935	3.8
131.05945	1.4
132.10208	5.1
141.81908	1.2
145.06494	5.2
146.06010	3.8
157.07607	2.6
159.02899	100.0
161.13153	1.4
173.05945	4.0
184.09741	1.8
187.02385	12.1
187.03912	1.8
202.10706	1.9
203.14313	8.7
219.04845	9.0
219.07991	1.7
219.09926	2.1
219.13339	1.5
219.17430	25.1
220.11813	2.5
224.12619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03928	1.5
55.01862	2.5
55.05499	4.4
57.03418	4.1
57.07055	1.6
60.04512	2.2
67.05510	6.8
69.03425	2.0
69.07052	3.9
69.64886	8.7
70.95328	1.4
71.04995	9.4
71.05305	1.5
72.08127	2.3
79.05490	5.2
81.07056	10.6
83.04967	1.4
85.06539	2.1
86.09684	4.2
86.35246	1.3
91.05482	22.7
93.07053	10.3
95.04974	3.0
95.08615	10.4
97.06527	5.2
98.97562	1.4
103.05452	5.9
105.05875	1.3
105.07037	25.5
107.04939	4.5
107.08588	8.7
109.10133	6.0
115.05445	14.5
116.06233	3.1
116.34118	1.4
117.07016	10.3
119.07799	1.9
119.08580	17.2
120.08091	5.3
121.06528	2.1
121.10130	7.9
123.04427	4.6
123.08064	2.3
125.09606	4.4
128.06227	12.4
129.06042	2.4
129.07008	48.8
130.07735	4.9
131.04935	13.1
131.07613	2.6
131.08577	52.8
133.10127	30.9
135.08057	2.7
135.11684	3.8
137.05949	5.3
137.09622	2.1
141.06993	40.8
143.04910	3.2
143.08528	3.8
144.05736	7.7
145.06490	11.9
145.10120	11.3
145.34651	1.6
146.07280	7.7
147.08000	2.2
147.11668	4.6
148.05156	3.9
149.05963	4.3
149.09557	2.4
154.10310	1.6
155.06023	3.3
155.08501	3.3
157.05260	1.9
157.06485	26.6
157.10089	1.9
158.07265	24.8
159.04396	3.7
159.08061	29.8
159.11710	16.5
160.05188	9.8
161.05930	4.5
161.09605	6.2
161.13260	7.8
163.07555	2.9
163.11156	2.0
169.06468	16.6
169.07704	2.2
170.07288	6.6
171.08066	2.7
173.05983	9.5
173.09567	6.2
173.13216	5.6
174.06766	83.3
175.07558	26.7
175.14783	4.2
177.05408	2.8
177.09047	2.7
183.08087	3.0
185.05905	1.6
186.05344	2.1
186.06776	19.7
187.07611	3.4
188.08328	5.5
189.09108	97.6
190.09496	2.5
191.06998	2.6
191.10664	15.9
201.09094	50.6
201.16360	9.7
203.14334	9.4
208.78484	1.5
219.10149	100.0
219.13763	8.9
219.17427	52.1
220.10399	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	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.09528	1.1
53.03933	1.4
55.01849	1.6
60.04529	10.3
61.82242	1.2
67.05488	1.1
69.07055	1.6
69.87408	3.6
69.87814	2.4
70.74090	1.1
72.08142	2.6
79.05482	2.0
81.07064	1.6
86.09706	10.8
86.68039	1.2
91.05093	1.0
91.05484	11.6
91.98505	1.1
93.07040	2.0
95.00827	1.2
103.05444	5.0
105.07017	4.6
107.08555	1.7
115.05447	12.1
116.06236	2.9
117.06991	5.3
119.08559	3.1
120.08059	2.5
121.10139	2.5
123.04493	1.4
128.06250	10.1
129.07007	37.0
130.07773	2.5
131.04930	11.3
131.07616	2.0
131.08575	38.4
132.10210	6.7
133.06479	4.1
133.10133	3.7
137.05966	4.9
141.06999	37.0
143.04939	3.1
143.08556	2.6
144.05693	4.8
145.06490	11.9
145.10072	3.5
146.07278	7.0
147.08037	1.8
149.05943	3.4
155.06026	1.8
157.06488	17.6
158.06110	1.9
158.07291	19.6
159.04414	4.7
159.06715	1.5
159.08066	30.1
159.11676	3.9
160.05219	7.0
160.07484	2.4
161.06023	6.2
161.09550	3.6
163.07585	3.6
169.06462	12.0
169.07697	1.9
170.07318	7.1
173.06003	6.5
173.09563	3.3
173.12932	4.3
174.06778	73.4
174.24413	1.2
175.07544	14.5
183.08018	2.7
186.06767	20.1
187.07497	1.8
188.08313	4.1
189.09114	92.8
190.09468	1.5
191.07065	1.7
191.09027	1.4
191.10634	7.8
201.09102	40.5
203.14282	3.9
219.08228	4.5
219.10143	100.0
219.13693	3.5
219.17401	19.7
220.10376	2.5
236.16277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.22812	1.0
55.01860	1.8
55.05497	1.6
59.96376	1.2
67.05505	3.1
69.07060	3.7
71.04995	2.1
71.09290	2.6
72.08160	1.2
79.05473	4.3
81.07044	5.3
86.78855	1.3
91.05489	14.0
93.07027	4.1
95.08588	3.9
97.06509	5.2
103.05476	4.5
105.07027	7.9
107.04937	1.2
107.08606	3.1
109.10149	2.9
115.05456	10.2
116.06213	3.6
117.06983	4.5
119.08576	4.8
120.08089	4.7
121.01019	1.3
121.06533	1.5
121.10155	3.8
123.04417	3.7
125.26815	1.4
128.06233	10.4
129.07008	40.2
130.04131	1.6
130.07780	2.4
131.04970	9.4
131.08566	36.4
133.06500	1.5
133.10101	6.8
135.11673	2.6
137.05956	3.9
141.06995	35.5
143.04880	1.4
143.08539	3.9
144.05673	5.7
145.06514	9.4
145.10100	5.5
146.07240	4.6
147.08029	1.8
147.11636	1.8
148.05316	1.4
149.05975	2.5
155.06033	2.8
157.06497	20.2
158.07285	24.8
158.10767	1.6
159.04430	4.1
159.08055	29.1
159.11656	6.1
160.05194	4.4
161.05940	2.6
161.09662	3.2
161.13272	2.5
162.06845	1.2
163.07515	2.6
169.06473	16.0
169.07707	1.6
170.07280	5.9
172.52342	1.4
173.06004	6.7
173.09616	2.8
173.13278	1.8
174.06773	75.2
175.07533	13.7
175.14781	2.5
176.04602	2.1
177.09068	1.7
185.06009	1.6
186.06773	17.2
187.07559	2.4
188.08339	3.3
189.09119	100.0
190.09517	1.6
191.10645	10.4
201.05336	1.9
201.09093	40.4
201.16368	4.2
203.14322	3.8
208.44569	1.3
219.08292	3.4
219.10152	92.3
219.13731	4.5
219.17406	23.1
220.10478	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	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.01870	1.1
55.05499	3.2
57.03422	1.6
61.43873	0.9
67.05494	4.1
69.07082	5.2
69.28419	7.8
71.04984	2.2
72.08138	2.1
79.05476	4.3
80.26146	0.9
81.07052	4.2
83.04974	1.2
91.05491	12.4
93.07057	4.7
95.04947	1.5
95.08588	3.7
97.06527	5.4
98.39378	0.9
103.05466	4.1
103.58075	0.9
105.07054	8.6
107.04948	1.3
107.08602	4.2
109.10146	2.0
111.04404	1.1
115.05464	8.9
116.06225	3.1
117.06997	4.8
119.08608	5.5
120.08094	4.1
121.06507	2.9
121.10149	4.7
123.04440	7.2
123.08115	1.0
123.11699	0.9
128.06219	11.1
129.07013	39.0
130.07762	3.7
131.04913	8.0
131.08572	43.3
133.06433	1.1
133.10136	8.3
135.08046	2.3
135.11649	1.7
137.05984	5.5
141.06999	34.6
142.07613	0.9
143.04942	2.1
143.08575	2.6
144.05731	5.6
145.06474	9.5
145.10132	7.3
146.07280	4.8
147.08034	1.3
147.11652	2.1
148.05135	1.5
149.05954	3.8
152.48082	0.9
153.06917	1.5
155.06029	1.8
157.06500	21.0
157.07767	1.5
157.10030	1.7
158.07286	22.0
159.04393	3.2
159.08066	28.4
159.11661	6.1
160.05206	8.3
161.06001	3.0
161.09590	3.6
161.13258	1.6
162.06775	1.1
163.07542	2.7
165.18584	1.1
167.03459	1.5
168.05659	1.3
169.06468	13.0
169.07693	1.2
170.07248	6.8
173.05989	5.7
173.09644	2.5
173.13249	2.0
174.06775	71.3
175.07532	14.1
177.05502	1.5
177.09109	1.4
183.08067	2.1
185.06058	2.1
186.06792	17.5
187.07513	2.3
188.08330	3.9
189.09119	82.3
190.09538	1.6
191.07027	2.6
191.10646	8.1
201.09108	38.7
201.12825	1.8
201.16371	3.1
203.14372	4.6
219.06535	3.9
219.10165	100.0
219.13724	3.5
219.17424	25.7
220.10403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03931	1.5
54.13804	1.1
55.01859	3.2
55.05525	7.5
57.03439	3.4
57.07065	1.8
65.82130	1.4
67.05519	6.3
69.03429	22.7
69.07074	9.2
70.06574	1.5
70.35978	1.2
70.77283	3.9
71.04983	4.9
77.03919	1.8
79.05498	13.7
81.03336	1.4
81.07063	10.4
83.04995	1.4
83.08615	1.9
91.05490	20.8
93.07051	8.9
95.04955	3.9
95.08650	6.3
97.06539	22.2
98.23917	1.3
100.90868	1.4
103.05473	19.5
105.03397	1.9
105.07040	18.2
105.55153	1.2
107.04975	3.5
107.08597	8.9
109.06448	3.2
109.10149	4.3
115.05447	16.7
116.06225	2.9
117.07021	15.7
119.08581	11.7
121.06500	5.5
121.10138	8.3
123.04427	39.1
123.08080	2.4
128.06204	8.7
129.07008	30.3
130.07806	7.2
130.37846	1.2
131.04922	38.2
131.05856	2.9
131.08566	27.8
133.06506	7.1
133.10167	7.3
135.04393	2.8
135.08040	2.4
135.11688	4.5
137.05957	3.7
141.06992	11.0
143.04927	3.8
143.08553	10.1
144.05711	8.3
145.05423	2.4
145.06496	35.5
145.10127	28.4
146.07114	1.7
147.04411	3.3
147.08047	3.1
147.11649	1.8
148.05176	3.1
149.05989	44.2
149.09648	2.6
151.07539	1.7
153.06966	5.8
155.06012	3.3
155.08560	15.4
157.06470	17.2
158.07298	19.0
159.04416	4.4
159.08058	21.7
159.11716	10.3
160.05208	44.6
161.05988	80.8
161.09604	4.2
161.13243	4.8
162.06680	2.2
163.03926	3.5
163.07581	7.1
163.11186	3.4
163.14894	2.3
165.07007	1.9
168.05734	1.6
169.06474	3.8
170.07259	2.9
171.08047	2.3
173.06032	10.8
173.09627	72.8
173.13205	3.9
174.06773	24.5
174.09962	2.7
175.07556	53.6
175.09050	3.2
175.14819	2.6
177.05496	17.4
177.09088	11.0
177.12704	1.8
183.08061	6.6
186.06744	10.4
187.07610	1.4
189.09120	92.5
190.06256	7.1
191.07018	3.1
191.10683	33.5
191.14278	2.3
201.09113	100.0
201.16356	4.8
203.14322	12.5
219.06534	5.6
219.10161	97.0
219.13820	9.4
219.17436	44.8
219.21375	6.1
220.10439	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	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
56.96566	1.5
57.73434	0.6
60.04529	100.0
60.19163	0.6
69.07088	1.2
70.02949	1.0
70.71385	1.8
72.08134	0.6
83.81317	0.6
84.08169	0.9
84.96031	0.7
86.09710	70.8
87.05592	2.8
87.72398	0.6
98.97588	6.7
110.97557	0.9
116.98656	2.0
120.08133	1.0
121.10161	0.6
123.04426	0.7
128.10756	2.0
128.83330	0.6
132.10211	48.1
154.94225	0.6
155.11766	0.8
158.99750	1.1
159.03038	0.7
160.30701	0.6
172.09669	1.0
173.12878	25.7
183.52170	0.6
201.12350	3.9
203.14453	1.7
219.01840	0.7
219.13448	7.8
219.17424	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	219.1342
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
52.00483	0.4
55.05495	0.8
56.05030	0.5
56.70282	0.5
56.96305	1.0
56.96569	15.7
57.03433	0.9
60.04522	2.1
61.02921	2.2
62.02162	0.6
69.03423	1.5
69.07063	2.4
70.06579	0.8
70.98116	2.2
71.01381	0.6
71.47485	0.5
71.95265	1.2
72.08156	1.1
72.64759	0.5
73.02924	1.0
74.06085	2.2
81.03406	0.6
84.08151	1.2
84.96033	1.3
85.02897	2.0
85.62130	0.5
86.09708	100.0
97.02886	1.5
97.96831	0.5
98.97587	55.2
99.04491	0.8
100.99181	0.8
101.00878	1.8
106.05054	1.6
107.04964	0.9
107.27630	0.5
110.97582	5.9
112.99126	1.1
113.02353	0.7
115.00690	3.2
115.02432	0.6
116.98628	13.9
117.02032	0.6
119.00168	0.5
119.01939	2.5
124.99140	0.9
127.03911	0.6
128.98599	3.6
131.00198	1.3
132.10214	1.2
133.01729	2.4
133.03416	1.1
134.99658	2.1
138.05391	0.6
139.00708	0.6
139.96211	0.5
140.98598	0.8
143.00209	1.0
143.01927	0.6
146.99666	1.6
147.03256	1.4
148.03880	3.0
157.04373	0.9
158.99660	9.0
159.03288	2.2
161.03011	0.9
170.99680	1.5
173.01215	0.8
173.12880	0.6
177.00737	8.6
177.02275	0.9
177.02838	0.6
177.04312	3.9
189.00699	1.6
195.01743	1.1
195.05455	1.4
196.00999	0.7
196.04587	0.5
201.00790	1.3
201.12361	0.7
203.14355	0.7
219.01762	2.5
219.05408	1.8
219.07318	1.2
219.13402	2.2
219.17517	1.9
220.06082	0.6
223.71678	0.5
237.00774	0.5
237.02795	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	219.1342
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
55.01860	0.4
55.05510	0.6
56.05043	1.0
56.96352	0.4
56.96568	11.2
57.03438	2.0
60.04520	1.6
61.02926	2.9
69.03423	2.1
69.07063	2.4
69.84898	2.4
70.06582	1.0
70.98141	2.2
71.01362	0.4
71.95262	0.8
72.08157	1.5
73.02911	1.2
74.06083	3.6
78.60581	0.5
80.71812	0.4
81.03414	0.7
84.08128	1.0
84.96042	1.2
85.02917	2.6
85.08474	0.5
86.09709	100.0
87.10014	0.7
91.57943	0.4
97.02885	2.7
98.20885	0.7
98.97591	30.6
99.04459	0.5
100.02485	0.5
100.99142	0.4
101.00880	2.3
106.05052	1.3
110.01289	0.6
110.97580	4.9
112.99161	2.6
113.02393	0.9
115.00714	1.2
115.02423	1.2
116.98622	6.6
118.00983	0.8
118.08654	0.7
119.01874	2.2
124.95514	0.7
127.01540	0.5
127.03912	0.6
128.98624	2.7
129.02258	1.4
131.00183	1.6
131.01880	0.8
132.00763	0.6
132.10197	0.5
133.01715	1.4
133.03426	2.1
134.99678	0.5
140.04974	0.4
141.32869	0.5
143.00137	0.9
143.01921	1.0
145.01669	0.7
146.99681	1.4
147.03195	0.7
148.03889	3.6
149.01234	0.5
150.01808	0.5
157.04491	0.6
158.99672	3.5
159.03253	0.8
161.01225	0.5
161.03001	0.9
168.03653	1.1
170.99686	1.3
172.99399	0.4
173.01245	0.5
173.12993	0.5
177.00734	4.5
177.04352	2.3
177.05913	0.5
177.62831	0.5
186.99138	0.5
189.00807	0.6
195.01794	0.8
196.01010	0.5
201.00737	1.2
201.12355	0.6
219.01790	3.5
219.05339	1.1
219.07184	1.1
219.13417	1.7
219.17482	1.1
230.98001	0.6
237.02785	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	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
50.76166	0.8
53.03941	2.7
55.01868	1.2
55.05513	6.4
55.40884	0.7
57.07070	1.2
65.03949	1.3
67.05510	25.2
68.85537	0.9
69.07072	7.2
69.82054	3.8
69.82451	2.1
71.04953	1.1
79.05497	34.1
79.43457	0.8
81.03426	2.5
81.06598	1.4
81.07062	27.7
83.04975	1.7
83.08620	3.3
85.06535	2.7
85.78934	1.1
91.04906	1.6
91.05481	30.0
91.86827	0.9
93.07047	38.2
95.04951	3.3
95.08604	15.9
97.06538	1.7
97.10187	1.2
98.21478	1.1
105.04535	1.1
105.07038	14.5
106.68353	0.8
107.04955	5.1
107.08599	24.0
109.06517	1.9
109.10171	6.4
111.08106	1.3
117.07028	7.5
119.08605	12.8
121.06516	3.9
121.10144	23.9
123.04414	1.4
123.08064	3.2
123.11708	1.7
124.08795	0.8
125.09613	1.0
131.08575	14.1
132.76698	0.8
133.10138	10.4
135.11708	10.4
137.09607	3.1
137.13219	1.1
145.10121	13.6
147.11670	2.9
149.09549	0.9
149.13275	2.4
159.11711	6.5
161.13284	2.1
163.14833	0.9
173.13249	2.7
175.14845	1.1
201.16382	13.3
203.14348	6.2
204.03090	1.2
219.05371	0.9
219.17451	100.0
219.21048	3.3
220.17805	2.8
226.35674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03931	2.7
55.05510	9.4
55.14758	1.4
56.50503	1.1
57.07050	1.3
60.04529	3.1
67.05507	13.3
69.03426	2.2
69.07075	9.8
69.35445	9.7
71.04993	24.9
71.86688	1.3
79.05495	13.5
81.07059	26.1
83.04978	5.8
83.08614	2.8
84.35773	1.4
85.06536	3.0
86.09689	3.7
91.05482	27.3
93.06489	2.1
93.07047	26.8
95.04965	2.8
95.08612	24.6
97.06530	7.2
103.05447	3.4
105.07034	66.7
107.07903	2.0
107.08592	25.0
109.06512	4.9
109.10164	14.1
111.08068	1.9
115.05434	3.1
117.06995	9.7
119.08585	41.3
120.08083	1.3
121.06478	4.5
121.10152	15.0
123.04448	1.5
123.08064	3.9
123.11708	1.8
125.09634	15.5
128.06223	3.6
129.07018	7.7
130.07739	2.0
130.86568	1.3
131.04909	3.3
131.08565	23.2
132.10196	1.9
133.06506	1.9
133.10136	100.0
135.08063	3.4
135.11685	5.4
137.09612	6.2
141.06969	4.0
143.08591	3.7
144.05664	1.9
144.09332	1.9
145.06450	3.7
145.10132	22.8
147.11694	11.6
149.06013	1.4
149.09590	2.9
149.13240	5.0
157.06439	2.2
157.10156	2.2
158.07286	2.1
158.10822	1.7
159.04398	1.4
159.08006	3.0
159.10461	2.0
159.11699	24.2
161.05963	1.3
161.09612	2.9
161.13266	12.1
163.07500	2.0
163.11197	3.9
168.14252	1.2
171.11694	1.3
173.05959	2.0
173.09607	1.6
173.13242	11.8
174.06789	7.1
175.07539	6.7
175.14838	5.1
177.09009	2.8
177.12726	4.3
177.16357	2.2
186.06818	1.9
189.09058	8.6
191.07068	1.8
191.10677	6.4
191.14339	4.3
201.09097	5.6
201.16393	23.1
203.14287	8.6
219.08130	2.7
219.10161	13.0
219.13800	5.6
219.17436	84.2
220.17743	1.8
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
55.01868	1.2
55.05509	0.7
57.07076	8.2
59.05003	6.0
60.04514	1.3
66.15014	0.7
67.05505	7.2
69.07067	5.5
69.86874	3.4
70.02959	7.9
72.04517	18.4
73.02934	3.9
74.02441	1.9
76.77801	0.8
81.07043	1.1
83.04981	1.4
85.06544	11.8
86.09695	2.0
87.08103	2.9
90.05558	100.0
91.05939	0.7
95.04967	8.2
96.08131	3.0
98.02419	21.6
100.03977	3.2
103.07588	7.9
113.06004	4.3
116.03456	13.0
124.07595	20.4
130.06493	1.3
132.10229	0.7
142.08633	7.8
156.10161	1.1
158.05956	1.3
160.09709	1.9
166.08662	2.5
174.11234	2.3
175.08727	1.5
184.09695	20.8
202.10760	31.7
204.14455	0.9
205.15874	1.9
214.25694	0.7
220.09705	1.5
220.11813	26.3
220.17819	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01876	1.6
57.07085	7.9
59.05008	6.7
67.05509	6.6
69.07072	6.8
70.02956	8.0
70.06600	1.1
70.96854	1.8
72.04521	16.5
73.02926	3.4
74.02442	1.0
77.31635	0.8
79.05526	1.1
83.04975	1.8
85.06551	11.4
86.09706	2.9
87.08109	2.4
90.05561	100.0
95.04985	8.0
95.58202	0.8
96.08141	2.4
98.02422	18.5
98.97594	0.7
100.03982	2.8
103.07574	6.5
107.04973	1.1
113.06017	3.6
116.03465	15.0
124.07597	19.8
130.06544	2.1
132.04466	0.9
142.08636	8.5
146.06062	1.2
157.07567	0.9
158.06024	2.2
160.09679	2.3
166.08661	1.9
174.11327	3.7
175.08714	3.9
184.09712	19.7
202.10750	30.6
205.15903	3.5
220.09651	1.5
220.11801	26.2
220.17900	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
69.07098	0.2
69.55723	1.2
79.05473	0.2
85.06544	0.2
91.05466	0.3
93.07079	0.2
93.80286	0.2
95.04968	0.2
95.08626	0.3
98.21571	0.2
105.07022	0.2
118.06548	9.9
119.07352	0.3
120.08877	0.3
121.10114	0.2
125.81654	0.2
132.04437	0.3
132.08080	2.8
132.08969	0.2
133.08868	1.2
134.09680	0.4
146.09634	2.7
147.10437	0.4
148.11116	0.2
160.11137	0.3
161.11943	0.3
162.09157	5.6
163.09793	0.2
165.09146	0.2
176.10777	4.1
176.14351	26.7
177.06703	0.2
177.11450	1.4
177.14682	0.5
188.03416	0.6
190.12268	3.4
202.15843	1.0
205.15825	1.0
220.16969	100.0
221.17328	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.47460	0.6
55.01879	0.9
55.05501	1.2
57.07076	1.1
60.04540	0.6
67.05509	1.3
69.03419	0.6
69.07069	1.3
70.06593	1.2
70.76560	1.7
71.76809	0.6
72.08139	0.9
73.04738	0.6
79.05497	1.1
81.03421	0.8
81.07032	1.5
82.02947	2.5
83.08615	0.7
84.04490	0.9
84.08134	0.9
85.02887	0.8
86.09724	0.6
91.05487	3.3
93.07043	1.3
94.06580	4.5
95.04967	1.1
103.05475	1.5
105.07024	1.8
107.04964	4.7
107.08617	1.2
109.10150	1.5
111.08047	2.1
115.05508	0.6
117.07072	0.8
119.07315	0.7
119.08591	1.8
120.08115	2.1
121.02880	0.7
121.06487	2.6
121.10204	0.6
123.08069	1.0
129.06958	0.9
130.06534	54.6
131.04973	1.2
131.06888	0.9
132.04459	41.8
133.06497	2.1
133.10103	1.2
135.04442	0.6
135.08060	1.0
137.05992	1.2
145.06535	0.8
146.05960	1.0
147.08058	1.9
147.09146	0.9
153.09126	1.1
157.06476	3.0
157.07617	22.3
158.06021	69.3
158.99666	0.7
160.05289	0.8
161.06006	3.0
161.09669	0.9
165.09105	1.1
175.08685	100.0
175.14787	1.3
176.07079	1.7
176.08997	1.4
185.06026	2.6
186.05513	2.3
189.05421	0.7
193.15887	1.4
203.06902	1.7
203.08534	0.7
204.06529	2.5
206.16273	1.7
221.04477	2.6
221.09428	17.9
221.13245	0.7
221.15388	2.4
221.18126	0.6
243.19646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96559	2.3
69.54710	2.8
69.55124	1.6
70.06577	1.2
72.08148	0.8
73.02911	0.6
74.02405	1.0
82.02943	3.0
85.02899	1.5
94.06557	3.6
97.02896	1.1
98.21494	1.2
98.97569	3.6
103.05455	1.0
107.04948	5.9
110.07170	0.8
110.97590	0.9
115.05457	1.2
116.98613	1.4
120.08070	1.4
128.98624	0.7
130.06531	69.9
131.06853	1.1
132.04457	43.8
147.09158	1.3
148.07564	2.4
155.04648	0.8
157.07619	33.3
158.06020	80.4
159.06290	1.2
175.08678	100.0
176.07019	1.9
176.09145	1.5
185.07108	0.8
186.05501	2.5
203.08154	10.9
204.06592	3.3
219.01877	0.9
221.04509	0.9
221.09221	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	221.1174
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03951	0.5
54.54677	0.5
55.01868	0.8
55.05512	5.2
57.03418	0.7
57.07083	0.6
59.04990	1.0
66.96280	0.4
67.05503	2.8
69.03429	3.7
69.07063	1.8
70.10687	0.4
71.04993	2.2
71.47749	0.5
79.05154	0.4
79.05498	4.9
81.07054	4.0
83.04978	2.4
83.08617	0.7
84.08154	0.6
85.02894	0.8
85.06541	0.6
88.14047	0.5
91.05485	4.5
93.07041	4.0
95.04967	1.7
95.08618	3.9
97.06525	0.8
97.10181	0.5
103.05444	0.9
105.07041	8.3
107.04958	4.2
107.08581	4.1
109.06535	2.2
109.10153	4.1
111.08061	1.6
114.30877	0.5
115.05469	0.8
117.07002	1.6
119.04945	1.8
119.08575	6.2
121.06503	2.0
121.10158	3.5
123.04441	1.1
123.08067	2.4
123.11678	0.8
125.09628	1.1
129.06967	0.8
130.06573	0.5
131.04919	0.9
131.08566	1.7
132.05698	0.6
133.06499	51.5
133.10165	3.7
135.08054	2.2
135.11717	2.2
137.05997	1.6
137.09610	3.3
139.11183	0.7
141.06943	0.5
142.07774	0.7
143.04874	0.5
143.08578	1.5
144.05750	0.9
145.06497	4.5
145.10153	1.3
146.07239	1.2
147.04408	5.4
147.08067	3.3
147.11679	2.0
148.05203	3.1
149.02328	1.4
149.05963	0.8
149.09624	0.6
149.13332	0.5
151.07596	0.6
151.11227	0.6
157.06480	1.5
157.10098	1.3
158.06044	0.7
159.08075	2.4
159.11690	0.7
160.08809	0.6
161.05988	22.5
161.09624	6.1
161.13303	2.7
162.06741	2.1
163.07509	0.5
163.11172	1.8
165.06987	0.7
165.09108	1.3
170.07256	1.2
175.07535	2.0
175.11192	26.0
175.14755	2.7
179.10703	0.7
179.14284	0.8
185.09621	4.4
185.13231	0.7
193.08565	0.6
193.15907	0.9
203.10678	100.0
203.14439	2.1
204.10999	1.3
206.16293	0.5
212.81302	0.4
221.04352	1.0
221.06139	0.9
221.08005	1.1
221.09822	0.7
221.11760	6.3
221.15291	5.7
221.18500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03952	7.6
55.01864	2.9
55.05510	10.1
56.72038	0.8
56.96550	0.9
59.05013	0.8
60.23088	0.8
65.03944	2.3
67.05508	14.1
69.07072	10.9
71.04989	3.9
71.29465	1.9
77.03928	2.0
79.05495	61.9
80.05844	0.9
81.07057	37.6
81.07530	2.1
83.04971	1.2
83.08615	5.8
85.06542	4.5
91.05484	39.8
93.07046	100.0
94.07379	1.6
94.11592	0.9
95.04985	5.7
95.08607	16.8
97.06514	1.3
99.04488	0.9
99.08117	1.1
105.04507	2.2
105.07033	35.2
107.04947	1.7
107.08596	74.3
109.06512	3.8
109.10184	1.1
113.90852	0.8
115.05503	0.9
117.07015	3.7
119.06094	1.3
119.08584	32.8
121.06524	2.7
121.10152	18.4
123.08085	3.9
127.07558	1.2
128.06215	1.6
129.06992	3.2
131.08600	7.7
133.10130	9.7
135.08055	2.2
135.11726	1.1
143.08543	7.2
145.10095	2.2
147.08049	3.2
147.11731	4.0
149.13171	0.9
157.10141	4.8
159.11681	9.1
161.09648	5.7
161.13260	29.6
165.09094	2.8
175.11214	5.2
175.14841	7.2
179.10641	1.9
185.13275	17.1
203.14336	9.4
221.15376	27.0
221.17712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.2
55.05515	12.2
57.07059	2.5
59.05005	1.4
66.10554	1.4
67.05511	9.9
68.86137	1.5
69.07068	11.5
69.53663	13.5
71.04998	18.1
72.18789	1.5
75.96280	1.7
79.05509	15.9
81.07063	58.3
81.07536	3.0
83.04966	1.8
83.08619	7.0
85.12417	1.7
91.05472	14.0
93.07050	37.9
95.04940	2.1
95.08604	29.6
97.10180	2.2
99.08097	4.0
105.07038	22.8
107.04953	2.9
107.08597	52.4
109.06543	3.8
109.10165	19.7
111.08050	2.9
115.05465	2.0
118.06567	2.3
119.08585	35.4
121.10164	11.9
123.11718	15.1
127.11185	3.9
131.08585	1.6
133.06456	1.8
133.10139	23.9
135.11697	100.0
137.05984	3.1
137.09613	5.9
137.13229	2.1
139.11165	1.6
145.10124	2.9
147.08011	1.9
147.11697	21.6
149.13269	6.5
151.11237	3.4
152.25061	1.6
158.06012	2.0
159.11633	2.3
161.05925	2.7
161.09659	2.7
161.13289	10.9
163.09544	2.2
163.14786	4.2
170.91797	1.7
175.14885	4.3
176.14420	2.3
177.11079	2.5
177.13318	1.8
177.14708	12.1
177.16307	3.9
179.14354	2.5
193.08716	2.5
203.14355	1.7
203.17979	34.0
203.19789	2.7
221.07962	2.5
221.11646	3.8
221.15488	2.8
221.17299	43.7
221.19075	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03950	1.7
54.45223	1.3
55.05510	13.6
57.07071	6.4
59.04984	2.3
61.14970	1.4
67.05505	13.0
69.07074	15.6
70.04747	5.8
71.04650	2.0
71.04999	21.8
79.05495	18.6
81.07057	61.1
81.07537	3.1
83.04971	3.6
83.08619	5.5
85.06548	3.4
87.47697	1.5
91.05476	10.6
93.07047	42.9
95.04945	1.9
95.08615	33.7
97.06504	2.4
97.10175	4.8
99.08110	4.6
105.07036	30.4
107.08597	68.6
109.06512	3.0
109.10159	26.6
111.08052	3.8
111.11730	2.1
113.09677	2.4
117.07037	3.8
119.06039	1.4
119.08589	45.2
120.24139	1.6
121.06554	2.6
121.10153	12.4
123.08065	3.7
123.11720	19.6
125.09631	3.7
127.11205	3.1
130.06534	6.6
132.04436	2.9
133.06490	2.2
133.07422	1.7
133.10135	25.2
135.08113	2.0
135.11697	100.0
137.05887	1.3
137.09615	6.0
137.13235	3.5
137.15062	1.2
139.11203	1.6
145.10112	2.2
147.04420	2.4
147.08090	2.2
147.11693	22.4
149.13237	6.5
151.11183	5.1
157.07625	1.9
158.06012	6.5
160.12526	2.0
161.05988	1.8
161.09683	2.0
161.13287	16.2
163.11226	2.5
163.14787	6.6
165.06972	1.5
165.12735	2.0
175.08704	4.2
175.11237	1.5
175.14876	5.4
177.14717	4.1
177.16335	2.3
179.10594	1.7
189.05466	1.7
193.08684	1.8
193.15813	1.7
201.57208	1.6
203.10736	1.8
203.14404	2.7
203.17966	37.7
221.06160	2.2
221.09756	2.6
221.11685	2.9
221.15410	6.1
221.17245	8.9
221.19061	55.5
243.20169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.4
55.05512	17.0
55.65991	3.1
60.17606	2.6
67.05499	9.4
69.03419	4.0
69.07064	12.4
69.39211	5.5
69.39616	16.6
70.06590	3.7
71.04994	21.8
79.05505	17.9
81.07059	64.1
83.05004	3.4
83.08610	6.0
85.06551	5.5
91.05484	15.8
93.07050	35.5
95.08612	31.0
97.06536	3.5
103.05476	3.9
105.07036	31.7
105.36240	3.1
107.04968	3.6
107.08604	59.7
109.06516	5.9
109.10183	31.4
111.08117	5.9
116.21247	3.1
119.08597	49.1
121.02868	2.9
121.06560	3.6
121.10163	11.8
123.08070	7.4
123.11696	22.4
124.07640	4.5
127.11178	3.9
133.06496	6.1
133.10141	27.6
135.08009	3.8
135.11694	100.0
135.12737	5.6
137.06023	5.2
137.09621	8.0
137.13271	3.1
143.08597	3.8
145.10126	3.3
147.04358	3.7
147.08058	6.9
147.11693	26.3
149.02364	21.9
149.13275	7.0
161.05962	4.6
161.09642	3.4
161.13297	16.1
163.14842	4.9
174.67473	3.5
175.07550	4.1
175.14856	8.0
181.96109	2.7
185.41467	3.3
193.08534	3.6
203.07005	6.5
203.10692	4.2
203.14244	5.3
203.17996	35.2
208.82271	3.1
211.23872	3.1
221.07982	4.3
221.15387	10.1
221.19006	46.0
221.22012	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.22701	1.3
53.15191	1.3
53.22007	1.5
55.05509	11.5
57.07073	3.7
63.19466	1.2
65.03896	1.3
67.05487	8.0
68.06522	1.4
69.07075	8.2
69.49245	1.4
70.67464	2.7
70.67841	4.6
70.84758	1.2
71.04993	13.9
79.05489	14.8
79.96165	1.5
81.07058	48.3
83.04974	1.8
83.08640	3.6
85.90884	1.6
87.35344	1.6
91.05504	9.1
93.07047	37.0
95.08612	25.9
97.06557	2.0
97.10155	1.8
99.08108	4.2
105.07033	24.5
107.08593	63.7
109.06531	2.2
109.10162	16.3
111.08025	3.3
113.09692	1.8
119.08585	33.6
121.10131	7.4
123.08176	1.7
123.11718	16.3
127.11187	5.4
133.10141	23.8
135.11696	100.0
137.09601	4.2
137.13228	3.4
145.10118	4.1
147.11678	16.6
149.13266	6.3
151.11162	4.6
160.12497	2.2
161.13251	10.0
163.14871	4.4
165.12827	2.6
175.14830	2.2
203.17958	31.4
221.15570	2.1
221.19012	40.2
221.21126	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03969	3.8
55.01863	2.1
55.05522	18.4
57.07076	2.8
64.58575	1.9
67.05498	15.1
68.76984	1.8
69.03434	3.8
69.07069	18.7
69.37629	14.8
71.04993	26.4
79.05492	28.5
81.07055	92.4
83.04995	2.8
83.08618	11.1
85.06530	4.3
91.05479	20.7
93.07045	51.2
95.04943	5.5
95.08070	3.4
95.08615	48.2
97.06528	5.0
97.10199	4.0
97.83326	2.1
98.20729	3.4
99.08098	4.2
105.07027	46.6
107.04940	4.2
107.08594	68.9
109.02874	2.2
109.06512	7.9
109.10153	33.0
111.08064	6.3
115.05441	3.2
117.06992	3.9
119.08583	60.4
121.06474	5.7
121.10159	15.5
123.08070	6.2
123.11718	23.2
125.09647	3.0
127.11195	6.6
129.07059	2.6
131.08601	3.2
133.06523	7.4
133.10127	36.3
135.11693	100.0
135.12735	5.0
137.06001	2.5
137.09615	4.2
137.13210	5.2
145.10043	2.2
147.08017	2.5
147.11687	32.2
149.13254	11.9
151.11162	5.5
157.06482	2.4
157.10101	2.3
160.12416	3.0
161.06003	5.5
161.09593	3.9
161.13264	18.3
163.14792	6.6
165.07011	4.1
165.12747	3.6
175.07576	4.1
175.11163	3.0
175.14821	7.8
177.16353	3.4
178.07878	2.2
185.13232	2.2
193.08574	2.5
193.10149	2.8
202.07686	2.3
203.08562	2.8
203.10588	2.9
203.14259	3.4
203.17955	46.9
206.16200	3.9
221.06099	3.0
221.07884	3.9
221.09779	4.3
221.13438	3.6
221.15395	8.7
221.18997	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	4.1
55.01866	3.6
55.05516	27.3
57.03428	2.5
57.07071	11.8
59.04992	3.3
67.05503	32.4
69.07069	40.4
71.04980	10.2
71.20286	2.2
71.48809	3.1
75.91925	2.6
79.05494	30.6
81.07058	88.0
81.91125	2.3
83.04981	30.0
83.08626	15.1
85.06538	4.1
85.10190	3.3
91.05477	24.1
93.06486	3.6
93.07045	46.2
95.04983	8.9
95.08609	77.7
97.06529	4.9
97.10155	11.0
99.08096	7.3
103.05445	4.2
105.07030	66.7
106.25892	2.7
107.04958	5.5
107.08590	68.8
108.99975	2.7
109.06516	8.0
109.10152	69.0
111.08082	8.8
111.11706	6.1
115.05434	5.1
119.08587	50.8
121.06508	5.0
121.10151	38.2
123.08054	5.5
123.11717	23.7
125.09644	13.8
128.06204	2.8
130.06548	5.2
131.04939	3.5
131.08630	2.7
133.06485	9.6
133.10123	38.1
135.08052	4.0
135.11673	20.7
137.09631	9.1
137.13307	3.3
139.11159	6.1
145.10109	7.0
147.08022	3.7
147.11690	51.6
147.12839	4.9
149.13255	5.2
151.03886	3.5
151.11192	10.5
156.09552	2.3
157.07661	3.4
159.11702	5.7
160.12569	2.4
160.35411	2.4
161.06039	15.2
161.09605	7.3
161.13269	36.7
163.11215	2.4
163.14838	15.4
165.09126	4.7
165.12752	9.4
174.06862	3.4
175.03891	3.6
175.07574	4.1
175.14807	19.1
177.16415	8.1
178.07747	14.4
189.05566	3.0
193.08569	6.0
193.10170	6.6
202.07770	3.9
203.06911	2.6
203.08635	5.5
203.10423	2.8
203.14323	5.7
203.17957	100.0
206.11011	4.6
206.16229	3.5
221.06123	3.8
221.08040	4.3
221.09749	41.1
221.11665	5.6
221.13390	5.1
221.15485	22.7
221.19019	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	4.5
53.90774	2.1
54.12178	1.6
55.01864	4.8
55.05513	16.0
57.03428	3.5
57.07066	4.7
62.05686	2.0
65.03929	2.8
67.05508	25.9
69.03426	4.6
69.07067	22.4
71.04992	25.2
71.47870	3.5
74.53096	2.0
79.05495	27.4
81.07058	82.7
83.04974	7.1
83.08605	9.6
85.06504	3.8
91.05476	28.1
93.07047	62.4
95.04965	8.7
95.08611	50.3
97.06509	6.4
97.10167	3.8
99.08092	6.5
103.05501	2.3
105.07034	51.6
106.92811	2.1
107.04923	5.7
107.07889	3.7
107.08604	65.6
109.06519	7.4
109.10159	32.2
111.08104	9.9
113.09653	3.7
115.05505	5.2
117.06986	7.5
119.08584	62.7
121.06496	6.8
121.10155	24.9
123.08082	10.1
123.11712	20.8
125.09587	4.1
127.11185	7.3
129.06984	4.9
130.06496	4.1
131.08562	5.9
133.06505	9.9
133.10132	43.0
135.08054	10.2
135.11694	100.0
137.05995	3.9
137.09631	13.3
137.13255	4.4
143.08554	3.8
145.10124	5.1
147.04434	2.6
147.08051	10.1
147.11696	30.9
149.02423	2.9
149.09515	2.6
149.13240	12.7
151.03917	2.6
151.11172	8.7
157.06433	4.8
157.10100	3.1
158.06053	3.1
159.11674	5.0
161.05949	10.1
161.09599	8.5
161.13264	40.1
163.11198	4.3
163.14890	3.4
165.06995	4.2
165.09129	7.5
165.12758	5.7
170.10938	1.9
175.07431	4.9
175.08733	4.8
175.11182	4.7
175.14836	12.6
177.05508	3.9
177.16400	4.2
178.07793	3.7
179.10411	2.0
185.13287	6.7
189.05528	2.4
193.08574	5.9
193.10185	3.2
193.12312	2.3
203.06982	12.7
203.10634	5.7
203.14305	11.5
203.17981	37.4
206.16231	4.4
221.04207	2.7
221.06065	4.9
221.09563	13.6
221.11705	6.8
221.13457	3.2
221.15450	34.0
221.19016	56.2
221.22112	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	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01859	1.7
55.05274	0.6
55.05513	8.1
57.07081	0.6
65.03928	0.8
66.04730	0.5
67.05505	7.6
69.03432	0.8
69.07066	7.0
71.04993	0.8
71.47842	0.6
71.48212	0.6
79.05498	5.2
81.03423	9.8
81.07062	7.5
83.04974	1.7
83.08620	2.9
85.02897	0.9
85.06535	0.9
91.05482	3.2
93.07046	4.2
94.04203	3.2
95.04969	30.5
95.08624	3.9
97.02866	0.5
97.06522	1.1
98.98463	0.7
99.08085	0.8
105.07050	3.0
107.04960	6.3
107.08588	2.6
109.02962	0.5
109.06499	1.4
109.10108	0.7
111.08101	0.5
111.20454	0.4
117.07029	1.8
119.08570	1.8
121.06498	1.9
121.10132	1.9
121.23137	0.5
123.08057	1.6
125.05940	0.5
131.08553	1.4
133.10179	0.7
135.08026	0.7
135.11656	1.3
141.06940	0.6
143.08498	0.9
145.06493	1.0
145.10106	2.0
147.08054	0.9
149.02345	4.7
149.05983	0.6
153.12849	0.6
159.11707	1.4
163.11139	3.4
165.09145	0.5
169.18074	0.5
177.12790	0.6
181.10068	0.6
182.05666	0.4
187.11224	0.5
190.02670	0.5
193.10240	0.7
195.08018	0.7
201.14566	0.5
205.12242	1.8
205.15982	0.5
209.01259	0.7
223.03827	1.7
223.05995	1.9
223.13278	100.0
224.13606	2.4
225.04268	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
50.49034	0.3
53.03932	1.0
55.01847	1.0
55.05514	6.4
57.03424	0.4
57.07071	0.4
62.40749	0.3
65.03939	0.9
66.04707	0.4
67.05505	5.6
69.03439	0.4
69.07072	5.5
71.04963	0.4
71.48622	0.4
79.05497	4.1
81.03423	10.6
81.07056	5.4
83.04967	0.8
83.08628	3.3
85.02897	0.4
87.08158	0.4
91.05476	2.3
93.07054	3.2
94.04184	4.3
95.04971	17.4
95.08607	3.1
97.06525	0.6
98.98464	0.5
103.05444	0.4
105.07004	1.3
107.04957	5.6
107.08607	2.1
109.06512	1.3
109.10200	0.7
111.08074	0.7
112.20638	0.3
117.06998	1.5
119.08575	1.1
119.51794	0.3
121.02876	0.5
121.06480	0.6
121.10127	0.9
123.08058	1.2
129.07016	0.4
131.08543	1.0
135.11684	0.8
139.05484	0.4
145.06493	0.9
145.10086	1.0
149.02354	2.2
159.11646	0.4
163.11185	1.6
169.10030	0.4
177.12700	0.7
193.10161	0.4
195.11763	0.4
205.12224	1.2
223.13287	100.0
224.13600	1.9
225.04291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01876	1.1
55.05511	4.0
59.84333	0.2
65.03942	1.4
67.05504	5.7
69.03423	0.5
69.07071	3.0
70.92619	0.5
71.04993	1.3
79.05496	5.2
81.02937	0.3
81.03416	2.8
81.07057	8.9
83.04978	1.7
83.08614	1.6
85.02908	2.7
85.06551	0.5
91.05483	3.6
93.07050	4.4
95.04970	100.0
95.08608	5.4
96.05307	0.9
97.06516	1.1
99.08081	0.5
103.05440	0.3
103.62430	0.2
105.07029	2.9
105.31541	0.2
107.04992	1.0
107.08588	1.7
108.92207	0.2
109.02907	0.2
109.06518	3.4
117.07021	2.5
119.08583	2.8
121.06513	2.7
121.10155	1.8
123.08070	2.8
125.06091	0.2
129.07016	0.9
130.07814	0.5
131.08598	1.0
133.10133	0.7
135.08095	1.0
135.11691	2.6
141.06981	0.6
143.08571	0.7
144.09314	0.2
145.06493	0.5
145.10121	5.2
147.08057	3.1
149.02362	0.4
154.07773	0.3
159.08115	0.2
159.11717	1.5
161.09680	1.2
163.11186	12.6
169.10172	0.8
177.12747	1.1
187.11192	1.8
195.07996	0.3
205.12192	1.7
223.03966	0.3
223.13243	3.3
225.04225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0911
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
69.27343	5.8
81.07040	0.6
91.05462	1.3
98.21470	1.1
101.95043	0.9
109.10117	0.6
111.21555	0.6
113.80046	0.6
128.06201	0.9
141.07008	1.7
145.05423	0.6
152.06201	6.3
153.06989	5.5
154.07779	21.4
155.08498	1.4
165.07014	36.8
166.07797	12.0
167.08574	36.7
168.05693	0.8
168.08829	0.7
169.10138	5.8
174.84383	0.7
175.03098	0.8
177.07022	1.3
178.07787	2.3
179.08522	3.2
181.06474	6.9
182.07283	28.2
183.07953	1.1
193.06355	1.4
193.07872	0.9
194.07285	3.7
195.08115	2.1
196.08875	1.4
197.09630	91.2
198.09998	1.2
209.06017	1.6
210.06775	18.7
211.07552	1.6
225.09116	100.0
226.09579	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	225.091
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
50.91914	0.8
54.17008	0.7
55.01864	1.0
55.05513	1.8
55.23182	0.7
57.07056	1.0
63.02389	0.7
67.05504	1.6
69.07053	1.9
71.04987	1.6
73.33495	0.7
79.05501	1.2
81.07047	2.8
91.05476	2.4
93.07059	1.6
95.04955	1.2
95.08607	2.3
97.06532	0.7
99.04436	2.2
101.95036	2.5
105.03398	3.6
105.07037	1.5
107.04960	1.4
107.08584	1.8
109.06499	1.1
109.10119	1.6
119.08574	1.3
119.96020	0.8
120.05655	0.8
121.10138	0.9
123.08057	1.2
128.06201	0.7
129.06956	0.8
133.10158	0.8
137.09628	1.2
137.97061	0.6
141.07002	3.6
143.08563	0.9
147.04388	0.9
149.09557	1.3
152.06206	6.2
153.06970	6.6
154.07779	23.1
155.08524	2.6
161.13107	0.8
165.07008	39.9
166.07787	11.9
167.08569	40.2
168.05682	1.4
169.06467	2.7
169.10159	6.4
177.06999	1.5
178.07787	2.3
179.08546	3.4
181.06483	9.2
182.07275	27.8
183.07942	1.6
183.11720	1.0
192.05698	1.8
193.06448	1.9
194.07243	4.9
195.08076	3.1
196.08821	1.5
196.22215	0.7
197.05881	2.6
197.09622	90.8
198.10025	1.4
208.08905	0.7
209.05943	1.7
210.06761	24.2
210.12256	0.9
225.05455	3.8
225.09105	100.0
225.14601	6.5
225.16499	1.5
225.19638	1.1
226.09590	1.9
249.92426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	4.6
55.01873	5.0
55.05517	14.6
57.03426	3.6
57.07067	4.4
59.05012	2.3
63.26203	2.6
65.03934	2.8
67.05506	30.0
69.03433	100.0
69.07082	15.6
69.71957	14.1
71.04994	17.9
77.03897	2.2
77.52551	2.2
78.42982	2.2
79.05503	20.6
81.03407	6.8
81.07062	41.9
83.04989	9.8
83.08612	6.5
85.02902	5.1
85.06546	3.0
87.04498	3.3
89.96768	2.3
91.05489	19.1
93.07050	23.1
93.75065	2.5
95.04972	19.1
95.08626	32.1
97.06557	11.3
99.04463	27.9
103.05450	3.9
105.03439	2.5
105.07037	59.1
107.04962	9.8
107.08596	25.4
108.28415	2.2
109.06531	31.7
109.10175	16.2
110.07362	2.4
111.08083	10.8
117.07036	4.9
119.08595	39.5
121.06530	10.1
121.10172	31.3
122.07307	7.6
123.04458	19.5
123.08076	23.0
123.11732	6.3
125.09612	4.9
129.07033	2.6
131.04971	6.2
131.08603	7.0
133.06516	17.6
133.10144	66.9
135.08063	6.7
135.11703	9.7
137.05986	7.8
137.09621	53.3
139.11189	26.0
141.07002	5.4
141.09119	2.9
145.10101	9.4
147.08060	7.2
147.11696	38.5
149.09624	18.8
151.07532	10.2
151.11237	4.1
153.09105	3.1
154.07814	4.1
156.09354	10.2
157.06485	3.6
159.08057	4.3
161.09607	2.8
161.13257	20.1
163.11203	17.6
165.12720	5.7
167.08560	4.5
167.10704	5.9
169.06552	6.9
169.10162	2.8
171.11685	12.0
174.10422	12.8
177.12828	2.7
178.07759	7.6
179.07155	3.9
179.08589	21.2
181.06528	11.3
182.07280	11.2
183.13860	6.4
189.12773	30.2
197.06003	2.6
197.09683	9.2
207.08095	8.6
207.13815	37.4
210.06819	6.7
225.09102	45.3
225.14900	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	225.1486
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
52.44035	1.4
55.01874	2.0
55.05499	2.3
57.07074	2.0
59.69680	1.5
67.05496	7.0
69.03424	2.2
69.07059	2.1
71.05005	15.2
71.31944	2.1
79.05496	6.5
81.07051	6.2
83.04980	2.3
91.05479	7.4
93.07048	19.3
95.08610	3.8
96.93216	1.6
97.06559	1.9
99.08121	1.6
105.07042	17.9
107.08642	8.5
109.06492	2.8
109.10161	16.2
113.29353	1.5
119.08575	11.1
121.06516	1.8
121.10146	33.1
123.08113	7.6
131.08597	3.8
133.10156	5.3
135.08015	2.6
135.11707	2.2
137.09630	27.7
139.00150	1.6
145.10123	3.1
146.20009	1.5
147.08017	3.0
147.11720	9.6
149.09628	100.0
156.09372	4.0
161.09613	2.7
161.13275	9.7
165.09117	2.5
165.12761	3.8
171.11745	5.0
174.10414	2.0
180.08417	1.7
189.12756	20.5
201.45918	1.9
207.13841	6.9
225.09154	2.8
225.14891	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	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.73746	0.7
55.01876	1.1
55.05502	1.9
55.91110	0.6
59.04992	0.9
65.03922	0.7
67.05511	7.7
69.03423	3.1
69.06681	0.4
69.07066	2.9
69.83056	3.3
71.04996	16.3
75.83955	0.6
79.05491	6.9
81.07056	7.4
83.04977	1.9
85.39213	0.6
91.05486	7.8
92.83172	0.8
93.06493	1.0
93.07052	17.3
95.04961	1.8
95.08618	4.6
97.06546	1.6
98.21450	0.9
99.04451	2.0
103.05451	1.3
105.06329	1.0
105.07037	20.1
107.04929	1.3
107.08598	7.3
109.06518	2.6
109.10163	14.8
111.08076	2.6
112.29481	0.5
115.07571	0.6
117.06959	0.6
118.09310	0.6
119.04966	1.4
119.08576	16.8
121.06492	2.8
121.10151	37.6
122.07274	0.9
123.08077	4.3
123.11687	1.5
129.06998	0.6
131.08582	3.9
133.06531	1.0
133.07634	0.7
133.10155	4.6
135.08058	1.6
135.11697	2.9
137.06046	0.6
137.09621	25.5
139.11169	2.9
143.08594	0.8
145.06424	0.7
145.10136	2.3
147.08072	4.0
147.11699	11.2
149.09627	100.0
150.09981	0.8
151.07564	1.2
151.11145	1.0
156.09341	2.6
159.08054	2.1
161.09662	2.5
161.13269	10.7
163.11174	1.1
165.12769	3.5
167.10698	1.1
169.10048	0.8
171.11696	5.8
174.10423	3.9
182.07237	1.2
189.12750	19.0
207.13800	7.0
225.09140	2.4
225.14799	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.55360	1.2
53.03951	2.1
55.05510	5.3
58.66604	1.3
60.15380	1.3
63.22700	1.3
67.05514	6.9
68.53041	1.3
69.03429	1.7
69.07058	4.0
70.99807	2.7
71.04997	13.6
79.05480	6.6
80.17605	1.4
81.07069	7.3
83.05006	2.1
83.08582	1.3
88.16962	1.4
91.05482	8.3
93.07053	14.3
95.04967	2.8
95.08624	6.8
97.06565	2.4
99.04449	4.4
103.05470	1.4
105.07041	15.7
107.04962	3.9
107.08595	10.4
109.06510	5.2
109.09550	1.9
109.10182	15.3
111.08070	2.0
119.04926	2.5
119.08589	16.5
121.06526	2.6
121.10159	41.1
123.08075	6.2
123.11732	2.6
131.04897	2.5
131.08556	4.6
133.10135	5.0
135.08044	2.5
135.11699	3.2
137.06044	2.2
137.09633	26.9
139.11229	2.0
143.08630	1.7
145.10136	3.4
147.08069	3.7
147.11703	12.1
149.09636	100.0
150.09959	1.8
151.07611	1.9
156.09341	3.7
159.08070	2.0
161.09639	3.1
161.13272	11.8
163.11182	4.0
165.09119	1.9
165.12767	5.7
167.10660	2.1
169.10158	1.9
171.11703	5.5
174.10413	4.3
179.08627	1.6
179.14314	2.3
182.07275	2.4
189.12762	20.3
197.09657	1.6
207.06458	1.6
207.08173	1.9
207.13902	9.4
225.09027	8.1
225.12845	1.7
225.14857	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	226.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59785	0.3
55.01868	1.1
55.05514	0.5
56.91198	0.2
62.06086	0.5
65.83097	0.3
67.05508	0.6
68.81873	0.3
70.32944	0.8
79.05491	0.6
79.86054	0.3
81.07056	0.7
90.27855	0.2
91.05489	0.4
97.10191	0.5
105.07017	0.3
107.04971	0.7
115.05471	0.5
120.05624	0.3
130.29922	0.2
141.07013	1.3
141.27094	0.3
152.06189	0.3
153.06979	4.0
154.07590	0.6
155.08556	3.6
165.06999	11.1
166.07327	2.2
167.08568	2.8
168.05710	0.6
168.08916	1.3
169.06406	0.3
170.10423	0.4
177.06978	2.5
181.06436	1.4
182.07095	1.8
183.08041	7.5
184.08440	0.3
193.07614	1.1
194.07234	2.8
195.08055	8.6
196.08513	0.9
197.05777	0.5
197.09628	1.8
198.06737	0.4
198.09970	3.7
199.07590	0.4
207.07968	0.5
208.08821	0.4
209.09636	2.9
210.06757	3.7
211.07544	72.8
212.07916	1.4
225.09108	9.7
226.09868	100.0
227.06941	0.9
227.10336	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	227.0704
Annotation	2-Methoxyxanthone
Peak:m/z	Relative Intensity
53.03949	0.4
55.01878	0.4
55.05496	1.2
57.03430	0.4
65.03921	0.3
67.05486	0.8
68.99785	1.1
69.03419	0.5
69.07045	0.8
70.13911	0.8
71.04964	0.4
77.03899	0.3
78.04694	0.8
79.05483	0.8
79.64628	0.3
81.03409	0.4
81.07048	1.2
83.04958	0.5
83.08623	0.6
83.88152	0.3
85.06525	0.3
86.09689	0.3
89.03941	0.3
91.05483	2.4
93.07039	1.5
95.04964	1.7
95.08598	1.1
97.06500	0.3
99.08094	0.5
100.11282	2.0
103.05441	1.5
105.07023	1.1
106.04152	0.6
107.04947	2.0
107.08587	1.0
109.06448	0.3
109.10152	0.8
115.05433	0.6
117.03392	0.3
117.07031	0.4
119.04906	0.4
119.08521	0.4
120.05721	0.4
121.06496	2.3
121.10130	0.7
123.04408	2.1
123.11708	0.3
124.05189	0.3
125.09614	0.5
128.06242	0.7
128.61755	0.3
129.06981	0.7
131.04929	1.0
131.08582	0.9
133.02870	0.5
133.06474	0.7
133.10114	0.6
134.03670	0.4
135.04413	0.5
137.05986	1.4
140.04675	0.8
140.68097	0.3
141.06975	0.5
142.07805	0.4
143.04962	0.4
143.08543	1.5
145.06497	0.3
146.52116	0.3
147.04404	0.4
149.05997	2.6
152.06190	1.1
153.07021	1.1
155.06992	0.5
155.08614	0.5
156.09358	0.3
157.06514	1.1
157.10133	0.9
159.04384	0.7
159.08026	0.9
161.05997	0.8
165.06992	1.3
166.07736	0.7
167.07074	15.3
167.08559	2.1
171.04408	48.0
171.07916	2.0
171.11687	0.7
172.04727	0.7
177.05493	3.8
177.06898	0.4
181.06479	1.3
181.10085	0.5
184.05223	1.2
185.06032	0.6
185.09616	0.5
185.13231	0.7
194.07324	0.4
195.04420	1.1
195.08096	1.2
199.07579	1.1
199.11197	0.7
199.14937	0.4
209.06046	0.7
209.08067	0.8
212.04692	82.5
213.05008	1.3
227.07034	100.0
227.10698	3.8
227.14322	1.2
227.18143	1.4
228.07401	1.5
228.10191	0.4
235.06099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03930	3.7
55.01881	8.2
55.05516	19.5
57.03415	2.2
57.07069	1.4
65.03919	2.1
67.05513	16.1
69.03397	2.9
69.07088	8.4
71.04971	6.2
71.42321	2.7
71.49368	1.4
73.02872	2.2
78.04687	3.1
79.03727	1.5
79.05495	30.6
81.03384	4.0
81.07063	22.8
83.04949	5.7
83.08630	12.4
85.06545	1.7
89.03906	1.8
91.05003	1.5
91.05481	18.7
93.07050	34.4
93.54559	1.6
95.04976	13.8
95.08611	36.8
97.02836	2.3
97.06480	5.2
97.10103	1.8
99.04414	6.2
99.08077	3.2
100.11262	9.5
100.76247	1.6
103.05464	9.3
105.04523	1.7
105.07020	10.0
106.04150	2.3
107.04964	14.0
107.08592	26.3
109.06480	2.4
109.10118	5.3
109.19066	1.5
111.04420	2.8
111.08073	2.1
115.05451	2.2
117.07053	7.5
118.62268	1.7
119.04942	2.3
119.08562	9.2
120.04386	1.5
121.05792	1.6
121.06509	16.2
121.10152	12.4
121.36913	1.4
122.03613	1.7
123.04436	7.4
124.05193	2.7
125.05915	2.3
125.09568	3.7
128.06239	2.3
129.06949	4.0
130.07755	2.0
131.04889	5.5
131.08516	2.7
133.10080	5.8
134.03551	2.1
135.08014	2.8
135.11700	47.5
137.05974	8.8
139.07574	2.1
140.04610	4.4
143.08510	4.6
145.06543	1.8
145.10146	23.6
147.04384	2.0
149.06017	14.5
149.13197	2.3
152.04640	2.3
152.06122	2.7
153.06926	4.1
155.06978	2.3
155.08435	2.9
157.06432	5.2
157.10017	2.8
159.04297	4.0
163.11195	60.7
165.06894	2.5
166.07648	2.0
167.07060	100.0
167.08430	4.5
168.07379	2.6
171.04367	1.9
171.07953	4.8
171.11626	4.8
173.09532	1.8
177.05498	21.6
181.06413	4.4
181.12271	11.4
183.07977	2.3
185.05933	2.2
185.09583	3.7
185.13188	3.5
197.05701	1.4
199.07556	18.6
199.11105	2.2
200.59286	1.7
209.06163	1.7
209.08003	6.5
209.09795	2.7
209.11542	2.4
212.04868	1.6
212.08109	2.6
212.14255	4.1
227.07068	18.6
227.10568	13.3
227.12674	59.8
227.18024	7.9
228.10233	12.7
228.12508	2.4
228.17516	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.4
55.01864	2.5
55.05516	9.7
56.02638	1.1
56.77348	0.8
57.03425	1.4
57.07079	1.3
65.03940	1.8
65.85528	1.0
67.05507	22.9
69.07076	5.7
69.63067	1.7
69.63480	3.3
71.04996	100.0
79.05504	11.2
79.67186	0.9
81.03405	0.8
81.07056	30.8
83.04969	2.5
83.08635	4.8
85.06551	3.1
91.05490	10.3
93.07040	16.9
95.04984	4.5
95.08613	15.0
97.06528	4.0
97.10149	3.2
98.97566	1.5
99.04476	1.5
99.08081	2.3
100.11266	12.6
103.05494	0.8
105.07014	4.4
107.04938	2.8
107.08592	8.0
109.06511	2.1
109.10170	2.7
111.08070	2.9
115.05433	1.3
116.98583	1.1
117.07021	4.8
119.04964	1.3
119.08589	2.0
121.06526	1.6
121.10117	3.8
123.11718	0.9
125.09645	3.1
128.06238	1.6
129.06970	1.9
131.08580	5.4
133.06519	1.6
133.10152	6.0
135.08049	2.4
135.11705	9.2
137.05978	2.0
142.07825	1.1
143.08530	3.1
145.06512	2.0
145.10097	1.7
149.13225	6.0
152.06215	1.3
153.06993	2.1
157.06454	2.7
157.10149	2.0
159.08058	2.4
159.11681	7.9
159.41882	0.9
165.07014	1.6
166.07753	1.2
167.07068	1.8
167.08531	1.6
169.06416	1.1
169.10211	1.3
171.04437	1.3
171.08060	3.0
171.11670	2.5
173.13293	1.1
177.12747	3.1
181.06467	3.1
185.09630	1.8
185.13191	2.1
189.11212	1.7
195.07994	1.4
195.13849	1.6
197.05891	0.9
199.07491	2.8
199.11253	1.2
209.15219	1.7
212.04677	2.0
212.08336	1.9
227.07083	9.2
227.10771	10.1
227.12682	2.4
227.14702	5.1
227.18034	8.4
227.24930	1.9
228.10258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.90762	0.8
52.12963	0.8
53.03941	1.3
55.05514	2.1
57.03445	4.4
57.07067	2.0
59.05003	1.7
67.05524	4.4
69.03427	2.9
69.07069	5.7
69.44464	1.0
70.47991	0.8
71.05000	13.0
71.09238	1.0
71.09605	1.2
73.60832	0.7
75.04471	3.2
79.05486	3.1
81.07051	6.8
83.05000	1.6
83.08622	2.4
85.06560	4.1
86.09726	1.8
90.54039	0.7
91.05483	3.2
93.07044	7.6
95.04973	100.0
95.08617	8.1
97.06535	14.7
97.10165	1.9
99.04465	15.2
99.08102	15.8
105.07027	4.8
107.08598	11.1
109.06519	12.3
109.10166	6.3
111.08079	1.9
115.07569	4.9
119.08582	3.0
121.10145	8.6
123.08078	1.2
123.11726	3.9
125.09628	3.9
127.07566	5.5
131.08600	2.5
133.10138	19.7
135.08034	2.2
135.11734	2.3
139.11166	6.9
143.10661	1.5
143.53099	1.0
147.11684	3.1
149.13246	6.2
151.11209	2.1
153.09108	28.6
153.12680	1.0
158.10944	1.1
163.14844	2.7
171.10158	8.2
173.13263	7.9
191.14316	9.6
209.15353	18.2
227.14413	1.6
227.16452	18.6
227.18562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.03948	1.9
55.01860	0.9
55.02704	0.6
55.05515	6.3
56.02658	1.5
57.03433	0.8
57.07063	0.8
58.51712	0.6
61.76949	0.6
65.03943	1.0
67.05507	25.9
69.07077	3.9
69.21088	1.5
69.21496	5.5
71.04996	100.0
77.55397	0.6
78.77814	0.7
79.05491	12.7
81.07057	33.7
83.04977	2.0
83.08626	4.4
85.06545	2.5
91.05473	5.7
93.07047	16.3
95.04964	2.4
95.08607	18.8
97.06532	3.4
97.10191	2.7
97.85641	0.7
98.20799	1.1
99.04456	0.7
99.08064	1.5
100.11268	4.3
105.07043	3.5
107.05054	0.7
107.08601	8.1
109.06525	1.6
109.10141	3.8
111.08110	2.4
113.06043	0.8
117.07043	3.9
119.08617	1.1
121.06484	1.4
121.10176	2.7
121.22755	0.7
121.34218	0.7
123.11761	0.7
125.09660	2.6
126.69752	0.6
128.06262	0.8
129.07004	0.6
131.08595	3.4
133.10130	5.3
133.76985	0.8
135.08008	1.0
135.11713	10.9
137.09656	1.0
143.08528	1.2
146.14857	0.6
149.13287	6.1
157.10178	1.3
159.11681	5.8
165.09181	0.7
171.11626	0.8
175.14836	1.3
177.12727	3.5
184.05289	0.7
189.11150	1.0
195.13843	1.2
209.15347	1.3
227.07033	2.2
227.10712	1.0
227.12694	1.6
227.14594	1.2
227.17995	1.6
228.07816	0.9
228.16968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.01103	0.4
54.11426	0.4
55.01870	1.2
55.05517	7.5
56.02657	1.3
57.03439	0.9
57.07073	1.4
59.05011	0.5
65.03940	0.9
67.05510	21.2
69.03438	0.6
69.07072	4.5
71.04997	100.0
71.08630	0.4
71.48797	0.5
71.70397	0.4
72.05331	0.8
76.98590	0.4
79.05026	0.6
79.05497	13.7
81.03420	0.6
81.07063	32.1
82.07409	0.6
83.04995	1.6
83.08627	4.3
85.06548	2.9
87.98278	0.4
91.05486	7.2
91.06025	0.6
93.07051	16.2
95.04984	3.0
95.08609	16.7
95.70406	0.4
96.54426	0.4
97.06538	4.1
97.10168	2.3
99.04446	0.6
99.08121	1.7
100.11273	6.1
101.06043	0.4
105.07040	4.5
107.04974	1.5
107.08599	7.5
109.06535	1.4
109.10159	2.9
111.08102	2.7
113.06023	0.9
115.05515	0.5
115.07627	0.4
117.07012	4.7
119.08589	2.1
121.06535	1.8
121.10145	2.6
123.08054	0.8
123.11599	0.4
125.09615	2.4
128.06279	1.3
129.07028	1.8
131.08588	5.1
133.06480	0.6
133.10141	5.8
135.08096	1.4
135.11699	8.8
142.07803	1.1
143.08566	4.2
145.10178	1.8
147.11716	1.0
147.67850	0.4
149.13268	5.4
151.11256	0.5
153.07047	0.5
153.09122	0.9
155.08592	0.7
156.09357	0.8
157.06519	1.0
157.10155	3.0
159.11691	7.4
161.13330	0.5
165.07045	0.5
166.07722	0.5
167.07114	2.0
167.08467	0.7
169.06464	0.4
171.08145	1.8
171.11664	3.3
173.13423	0.5
175.14787	0.8
177.12740	3.1
181.06589	1.3
181.10181	0.6
183.11655	0.6
185.09758	0.8
185.13269	2.2
189.11298	1.1
194.07327	0.6
195.08156	0.6
195.13873	1.7
199.07680	1.5
199.11266	1.1
199.14900	0.7
209.09792	1.2
209.13591	0.6
209.15454	1.6
227.03651	0.6
227.07091	5.0
227.10753	3.9
227.12788	1.4
227.14487	1.4
227.17946	7.8
227.20158	0.7
228.23318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	1.4
55.01872	1.9
55.05504	7.2
57.03426	5.5
57.07064	1.9
59.04989	4.6
65.03932	2.7
67.05486	7.3
69.03417	3.6
69.07063	9.6
70.82297	2.8
70.82635	3.7
71.04659	1.9
71.04995	24.2
73.02911	7.6
79.05484	4.0
81.07062	14.1
83.04974	3.1
83.08614	3.1
85.06528	5.5
86.09683	6.8
91.05455	4.6
93.07051	16.7
95.04969	100.0
95.08633	13.5
97.06532	17.7
97.10144	2.9
99.04450	14.4
99.08098	26.6
100.11232	2.6
105.07069	8.5
107.08589	18.5
109.06520	15.6
109.10149	9.0
109.10770	1.6
111.08068	4.4
113.09639	2.7
113.49310	1.6
113.61063	1.9
115.07569	16.6
119.08575	5.7
121.10155	16.8
123.04442	2.5
123.08045	3.3
123.11690	6.3
125.09627	10.7
127.07571	10.4
130.37616	1.7
131.08559	4.8
133.10135	33.8
135.08055	6.5
135.11684	6.8
135.39816	1.7
137.09573	2.9
139.11157	12.7
140.04745	8.2
143.10686	4.1
147.11662	5.7
149.13249	8.2
151.11230	4.2
153.09102	34.0
155.07004	8.8
163.14809	7.1
164.76553	1.8
165.12779	2.9
167.07022	2.9
171.10178	16.1
173.13269	14.6
181.04948	19.9
191.14349	8.7
204.08220	1.7
209.08031	3.1
209.15343	15.1
227.09096	3.3
227.16425	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05500	8.9
57.03418	3.2
57.07073	4.5
59.04992	8.7
67.05493	8.7
69.03435	6.3
69.07077	12.0
71.04993	30.4
71.24980	3.4
79.05508	9.3
81.07037	18.9
83.04964	8.0
83.08643	6.1
85.06539	7.3
86.09739	6.3
91.05449	6.7
93.07050	25.7
95.04968	100.0
95.08607	22.2
96.03104	2.2
97.06535	17.2
97.10163	4.1
99.04466	12.9
99.08095	35.4
100.11268	3.2
105.07019	14.1
107.08598	27.9
109.06498	18.5
109.10165	11.6
110.91083	2.7
111.08088	10.9
113.05968	3.1
113.09647	4.0
115.07562	11.9
119.08566	9.1
121.10143	26.9
123.07941	2.9
123.11713	9.9
125.09619	25.1
127.07556	19.3
131.08534	5.4
133.10132	45.9
135.08047	3.2
135.11711	9.8
137.09666	2.9
139.07530	2.8
139.11185	18.5
143.08485	2.5
143.10661	4.3
146.96637	2.5
147.11687	10.0
149.09607	11.1
149.13292	13.4
151.11192	8.9
153.09100	37.0
163.14841	9.0
165.12755	3.6
167.10690	7.0
171.10213	10.0
173.13269	17.6
181.06496	3.3
191.14230	14.5
209.15356	24.8
227.16414	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05504	12.4
57.03419	3.6
57.07071	6.3
59.05000	7.4
61.51148	2.8
67.05478	4.9
69.03437	33.7
69.07056	12.5
69.48372	2.9
70.96474	4.7
71.05003	18.4
77.25565	3.0
79.05511	4.2
81.07059	17.4
83.04974	16.4
83.08609	9.2
85.06530	5.7
91.05472	4.9
93.07042	22.7
95.04974	53.8
95.08624	17.4
96.15421	2.5
97.06534	10.8
97.10152	7.6
99.04449	6.9
99.08105	31.8
100.11223	3.3
105.07022	12.3
107.08589	33.4
109.06505	12.2
109.09488	2.6
109.10152	16.8
109.10754	2.5
111.08066	8.9
115.07568	5.9
119.08554	8.8
121.10162	26.9
123.08093	2.6
123.11677	8.8
125.09638	100.0
127.07542	13.8
131.08537	4.7
133.10138	25.1
135.08083	5.6
135.11716	3.8
137.09625	5.4
139.07497	3.8
139.11157	9.7
147.11679	3.8
149.09627	29.3
149.13252	13.0
151.11194	16.0
153.07039	2.6
153.09099	37.9
154.09935	3.9
163.14799	10.7
167.10684	4.4
171.10156	7.6
173.13290	15.3
181.06505	6.0
181.15813	3.4
191.14279	21.6
209.15344	43.1
225.61307	2.8
227.06976	9.6
227.16403	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01864	3.6
55.05507	26.9
57.07063	7.6
59.04992	8.5
61.15105	3.3
61.71537	3.6
64.62365	3.6
67.05495	12.9
69.03410	11.1
69.07068	23.9
69.27339	31.0
71.05000	21.4
77.62810	3.6
79.05485	13.8
81.07065	34.0
83.01333	16.2
83.04956	14.5
83.08606	12.2
85.06529	8.4
86.09701	30.5
87.73195	3.5
90.31998	3.6
91.05472	15.5
92.69038	3.4
93.07044	41.7
95.04967	62.8
95.08594	27.5
97.06526	29.8
97.10168	3.3
98.20806	7.3
99.00088	3.5
99.04453	19.2
99.08094	64.9
100.11257	10.7
101.06021	10.1
105.07040	26.2
107.08602	59.2
109.06507	23.4
109.10155	29.8
111.08067	16.8
115.07561	6.3
117.33910	3.9
119.08567	16.0
121.06477	11.1
121.10139	81.6
123.08076	9.5
123.11689	13.1
125.09650	29.6
127.07560	12.4
131.08591	7.7
133.10135	78.1
135.08066	17.2
135.11687	15.4
137.09607	16.5
139.07523	13.2
139.11198	23.1
145.10098	7.1
147.11700	9.8
149.09618	58.3
149.13243	26.1
151.11267	18.7
153.09091	34.5
163.14867	26.1
165.12781	7.7
171.10196	12.9
173.13306	32.7
177.05453	4.4
181.06506	4.4
181.15901	10.3
191.14323	48.6
199.07555	4.0
209.15367	100.0
220.20825	4.0
227.07016	9.8
227.10451	3.6
227.16281	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03946	5.2
55.05512	44.6
57.03431	10.3
57.07071	9.4
59.04992	10.2
61.16678	3.5
64.10818	3.5
67.05487	12.9
69.07056	17.6
69.44850	15.3
69.45274	13.1
71.04993	49.0
79.05481	9.7
81.07058	30.0
82.06563	8.9
83.04974	17.9
83.08616	18.7
83.98693	3.6
85.06540	15.7
91.05479	12.8
93.07047	43.5
95.04379	6.6
95.04965	100.0
95.08619	26.8
97.06535	22.0
98.21483	8.6
99.04456	54.9
99.08095	27.6
100.09414	4.2
100.11259	63.8
105.07037	23.9
106.07829	3.7
107.08604	42.9
109.06534	19.3
109.10152	25.6
110.06039	11.3
111.04404	8.0
111.08080	20.0
113.05996	5.7
113.09612	4.6
115.07609	3.4
117.13911	3.8
119.08577	6.3
121.10152	37.0
123.08063	10.2
123.11700	17.1
125.09602	19.6
126.19330	3.4
127.07529	12.8
128.07137	4.6
131.08556	12.3
133.10135	58.5
135.08035	10.3
135.11679	8.9
137.09589	14.7
139.11180	16.7
141.11487	17.3
143.10690	9.5
145.10091	5.0
147.11694	16.5
149.09619	5.7
149.13210	19.4
151.11192	11.9
153.09090	29.0
153.12704	5.0
163.14804	12.1
163.64363	8.9
165.12732	9.4
167.07031	12.2
167.10606	4.6
171.10178	24.9
173.13322	18.8
181.06393	4.1
182.15419	15.4
183.13794	5.4
191.14265	18.5
199.07329	3.9
199.17998	8.8
203.57680	4.4
209.15277	31.5
210.14891	10.9
213.17744	22.4
213.68004	4.3
215.84747	4.4
225.15999	4.4
227.06786	13.3
227.16391	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05500	6.5
57.03426	5.3
57.07056	5.1
59.04993	4.3
67.05498	6.1
69.03448	3.4
69.07070	9.9
69.34019	12.0
71.04659	2.4
71.05003	29.5
79.05487	6.4
81.07054	16.4
83.04982	3.9
83.08624	4.3
85.06544	9.0
86.09702	5.2
89.59729	1.6
91.05481	5.6
93.07057	23.7
95.04977	100.0
95.08616	19.1
95.42696	1.7
95.70986	1.6
97.06543	18.3
97.10172	3.8
98.21483	2.5
98.89285	1.6
99.04455	19.1
99.08100	44.5
105.07021	12.4
107.08604	22.4
109.06522	19.6
109.10166	10.7
111.08073	6.1
113.06023	1.8
115.07581	6.2
118.37157	1.6
119.08562	8.8
121.10153	24.1
123.08099	4.2
123.11707	6.5
125.09648	11.9
126.04401	1.6
127.07556	18.3
131.08554	5.7
133.09138	2.6
133.10146	39.0
135.08038	7.8
135.11696	6.3
137.09618	4.0
139.11185	17.1
143.10678	5.7
145.10191	2.3
147.11755	7.3
149.13295	10.5
151.11195	6.2
153.09113	31.6
155.77014	1.6
160.40823	1.6
163.14877	7.5
167.07051	1.6
171.10210	11.2
173.13289	17.2
191.14354	14.5
209.15327	12.7
226.11758	1.9
227.07028	2.8
227.16425	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03949	1.3
54.24742	0.6
55.05505	4.6
57.03437	3.0
57.07069	2.2
59.04997	6.0
61.57078	0.6
63.91529	0.6
66.40220	0.7
67.05509	6.0
69.03432	1.8
69.07069	8.0
70.81533	1.7
71.04993	20.6
71.05379	1.5
74.95211	0.7
75.04486	0.7
79.05493	5.3
81.03394	0.9
81.07059	14.5
83.05003	3.9
83.08630	2.8
85.06542	6.1
86.09711	15.4
91.05489	6.7
93.07044	27.6
95.04970	100.0
95.08608	10.5
97.06528	15.6
97.07149	1.0
97.10181	2.6
99.04463	14.3
99.08096	12.2
100.11272	1.8
105.07034	8.1
107.08597	15.8
109.06522	12.7
109.10159	9.7
111.08084	8.3
111.11730	0.8
113.05985	1.6
113.09620	1.7
115.07578	5.2
117.07014	1.5
119.08594	5.1
121.10146	14.1
123.08055	1.8
123.11709	6.4
125.09625	6.6
127.07537	7.0
131.08603	3.9
132.52687	0.8
133.10127	32.7
135.08034	5.4
135.11699	4.6
137.09657	1.4
139.11189	9.6
143.08542	1.1
145.10164	2.1
147.11674	6.8
149.09642	0.8
149.13286	9.8
151.11179	6.0
152.06226	0.7
153.07111	1.6
153.09109	22.7
157.06570	1.0
158.10927	1.3
163.14854	4.4
165.12764	1.5
167.07059	2.0
167.14301	1.1
171.10193	10.8
173.13275	12.7
175.08147	0.7
181.05028	0.8
181.06476	2.5
191.14313	8.9
196.89420	0.8
199.18021	0.6
209.06013	0.9
209.08029	0.8
209.15355	15.5
227.07085	3.2
227.10565	1.1
227.16393	36.8
228.10085	1.5
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
52.51867	2.9
54.30687	2.9
55.05514	14.1
57.03432	7.3
57.07074	4.6
59.04996	8.4
62.55035	3.2
67.05512	11.6
69.03429	9.8
69.07062	16.2
69.21298	13.2
69.21721	19.0
71.04997	32.7
72.78421	3.4
79.05491	14.3
81.07057	21.7
83.01352	6.2
83.04981	11.8
83.08627	10.3
85.06545	12.1
86.09725	6.3
88.59496	3.5
91.05488	14.7
93.07043	41.4
95.04979	100.0
95.08609	19.0
96.08990	3.3
97.06540	25.8
97.10159	5.9
98.20673	5.0
99.04457	26.3
99.08099	39.3
100.11257	9.3
101.05993	3.9
103.05498	3.6
105.07036	19.3
107.08607	44.8
109.05875	4.1
109.06499	19.0
109.10172	19.3
111.08098	13.3
115.07562	22.0
119.08596	8.3
121.06522	12.1
121.10157	49.2
123.08071	9.1
123.11716	10.2
125.09636	24.7
127.07545	7.7
129.07018	3.7
131.08585	6.5
133.10146	47.3
135.08080	10.6
135.11707	12.7
136.08844	3.7
137.09637	11.2
139.07555	6.0
139.11177	14.9
143.08536	4.3
145.10167	4.9
147.11700	6.8
148.05205	5.2
149.06009	9.7
149.09657	36.5
149.13264	20.4
151.11220	22.7
153.09122	32.8
163.14816	12.3
163.73613	3.2
165.12718	4.5
167.07072	26.9
167.10654	5.0
168.00392	3.4
169.12302	3.7
171.10246	17.3
173.13272	22.4
177.05519	10.1
181.06563	4.4
181.15787	4.5
190.47665	3.2
191.14333	35.6
194.05650	3.4
199.07524	6.8
209.08099	11.0
209.15369	71.1
210.07437	4.1
227.07016	10.1
227.16342	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03935	1.5
55.01870	2.1
55.05519	8.3
57.03429	5.9
57.07075	3.4
59.04997	5.5
67.05497	5.8
69.03426	3.8
69.07077	8.6
69.65557	2.8
69.65965	6.7
70.06575	1.3
71.04995	23.5
73.02911	3.1
73.06539	3.7
79.05488	4.9
81.07068	10.8
83.04977	4.6
83.08604	4.5
85.06537	9.7
86.09708	19.8
91.05476	8.1
93.07052	22.1
95.04973	100.0
95.08597	12.4
97.06547	17.5
97.10181	4.2
97.86602	1.5
99.04456	13.0
99.08101	24.3
101.06026	1.9
105.07041	8.8
107.08595	19.4
109.06529	14.5
109.10152	13.8
111.08105	8.2
113.06046	1.7
115.07587	4.4
119.08555	7.6
121.06573	1.5
121.10156	16.6
122.03594	1.4
123.08059	3.7
123.11729	7.4
125.09639	12.3
127.07546	9.3
131.08594	4.0
133.10129	31.7
135.08054	5.7
135.11697	5.6
137.09566	1.3
139.11194	11.3
140.04651	2.6
143.10704	6.7
147.11703	6.4
149.13272	7.2
151.11189	4.6
153.09106	28.7
154.95885	1.7
155.07083	2.8
157.06509	1.3
163.14835	5.4
165.12801	3.3
166.04359	1.4
167.07104	1.9
171.10165	21.1
173.13269	13.6
181.04927	4.2
181.06499	4.2
191.14325	9.2
199.07625	1.9
209.15340	19.5
220.32469	1.4
227.07001	5.5
227.16429	55.9
249.33211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65408	0.9
55.01865	1.9
55.05515	4.7
56.05026	1.9
56.96562	34.0
57.03430	2.3
58.06610	1.5
58.09549	0.9
60.04504	1.0
60.08151	1.2
61.02927	1.9
64.55621	0.8
64.81987	1.0
65.74997	0.9
67.05510	1.3
69.03432	7.4
69.07066	6.8
70.06596	22.8
70.07420	0.9
70.98116	2.4
71.05004	2.0
71.47690	1.6
71.95265	1.1
72.04507	1.0
72.08160	6.5
73.02911	4.0
74.97618	1.2
77.36794	1.0
79.05466	1.1
81.03404	2.0
81.07053	1.3
82.06560	1.7
83.06070	1.4
84.04491	3.1
84.08140	13.5
84.96016	3.1
85.02907	6.0
85.04011	3.4
85.06547	1.3
86.09710	27.4
86.10244	1.3
87.04496	1.4
87.05586	2.8
88.04015	1.3
88.99168	1.0
90.94824	0.9
91.05462	1.3
93.07021	1.1
94.06557	1.0
95.00509	1.0
95.04950	1.2
96.04468	1.4
96.08131	3.6
97.02870	5.7
98.01350	1.0
98.02393	2.7
98.03192	0.9
98.06033	3.1
98.97588	24.6
99.04437	1.7
99.09249	1.1
99.97930	1.4
101.00807	1.4
103.05460	1.1
107.04950	14.6
108.08098	2.0
109.02904	1.6
109.99118	1.0
110.01290	1.5
110.02436	1.3
110.07169	9.8
110.09676	0.9
110.53386	0.8
110.97556	7.3
111.07466	0.9
112.07598	2.8
112.08731	2.8
113.03476	2.0
113.10768	4.4
114.05507	1.3
116.07085	2.9
116.98620	9.8
119.01800	1.6
120.08111	1.3
123.04436	3.6
124.07546	1.5
124.11199	2.1
127.03888	2.1
128.02396	1.1
128.98619	9.4
129.10248	15.5
130.08632	1.9
131.00137	2.2
131.04967	1.3
133.01743	1.4
134.99643	2.5
136.07574	2.4
138.09149	2.6
140.00182	1.1
140.07054	1.0
141.10201	8.8
142.01758	1.5
143.00180	1.5
144.98154	1.8
145.01636	2.0
146.99641	5.9
147.03177	2.8
147.04294	1.5
152.07053	1.3
152.10692	1.0
155.04572	6.1
155.11787	6.0
155.54851	6.2
156.03322	75.9
156.98077	3.1
158.99628	5.2
159.03281	1.7
161.01180	2.4
162.55606	2.0
166.08609	1.8
167.07027	3.2
168.03328	18.5
168.05426	1.3
168.07440	1.2
169.09729	4.2
169.13425	1.5
170.99678	1.3
172.97598	2.2
174.04393	60.1
174.99174	3.1
177.00754	4.5
177.04268	3.5
179.02292	2.8
182.03333	1.0
182.07956	1.4
182.09529	1.9
183.11295	5.5
186.04391	100.0
187.02858	1.9
190.98653	2.4
192.05415	6.3
200.13768	5.8
201.00598	1.6
204.05443	67.8
205.00179	2.6
205.03819	1.4
209.05980	1.8
211.10663	3.0
222.06512	3.4
223.01294	3.0
223.04881	1.2
227.06886	1.1
227.56963	1.5
228.05313	12.4
228.07040	0.8
228.10179	1.9
228.12181	2.3
228.14282	1.5
228.18304	1.9
228.23215	7.9
237.02856	1.3
240.14542	1.0
246.06499	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	228.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05509	3.0
56.96568	11.4
57.07056	1.9
58.06608	1.3
58.99591	2.0
61.18690	1.2
67.05508	1.4
69.03432	2.0
69.07074	6.8
69.45107	7.4
70.02955	2.1
70.06593	19.8
71.04986	1.1
72.04520	1.3
72.08172	7.9
73.02933	2.5
73.22716	1.1
75.04480	1.1
76.02238	6.6
79.05476	2.3
81.07097	1.3
82.06583	1.9
83.04994	1.6
84.04493	4.0
84.08136	12.0
84.96022	2.0
85.02903	3.0
86.09709	45.9
86.99075	1.8
87.05605	5.9
87.63053	1.2
91.05468	1.4
94.06594	2.0
95.04957	3.3
96.05303	2.6
96.08122	3.5
97.02900	2.2
97.06540	1.2
98.02421	3.1
98.06048	1.7
98.97574	10.2
99.04472	1.1
105.00094	3.1
107.04959	100.0
108.05316	1.7
108.08076	1.2
109.02845	1.3
109.06513	1.7
110.06039	1.2
110.07175	4.7
110.09694	2.4
110.97569	2.9
113.10767	1.7
115.05140	1.1
116.07109	1.6
116.98643	4.5
121.06492	1.3
122.02715	20.6
122.06066	2.0
123.04449	1.7
124.07636	1.5
128.98627	3.5
129.10255	11.3
130.06569	1.0
131.04926	2.5
134.99628	1.7
136.07567	1.9
137.05988	1.6
138.09149	4.4
140.07013	1.8
141.10239	8.8
146.99689	2.2
147.01210	1.6
155.11807	8.5
156.02069	1.2
156.03300	5.9
157.10860	1.3
158.99731	1.9
164.07043	1.3
167.07048	6.1
168.01711	1.2
168.03339	1.5
168.06580	1.4
169.09692	1.6
174.04366	4.9
174.99086	1.5
177.00710	2.6
182.06546	1.2
182.08069	2.3
182.09462	1.7
182.11749	1.1
183.11302	5.0
186.04408	8.5
200.13794	5.8
204.05469	6.7
210.07628	2.8
210.09467	1.3
223.01205	1.4
228.10211	3.1
228.12260	2.5
228.16884	1.8
228.23143	10.5
240.14662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1749
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05513	0.4
59.04999	0.2
67.05496	0.9
69.07082	0.2
70.52003	0.6
79.05499	0.4
81.07079	0.3
85.06544	0.5
91.05480	0.3
93.07050	0.3
98.20724	0.2
98.32271	0.2
105.07047	0.3
107.08614	0.3
109.10137	0.8
146.10500	0.2
155.07356	0.2
156.08121	1.4
170.09665	1.3
171.10435	1.7
172.11171	0.6
183.07976	0.3
184.11145	1.3
185.11923	1.2
186.12762	0.3
197.12148	0.3
198.12772	2.7
199.13629	0.4
200.14427	0.3
212.14352	34.4
213.15096	4.7
226.15936	0.4
228.10162	1.8
228.17482	100.0
228.74683	0.2
229.17868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17432	0.4
51.73008	0.4
53.03953	0.4
55.01867	1.8
55.05514	0.9
56.46270	0.4
56.96565	11.0
57.03440	4.0
58.06601	6.2
58.99870	1.3
59.05001	0.4
59.07386	1.2
60.04530	0.5
60.08168	7.0
61.02929	7.7
63.60257	0.4
67.44505	0.4
68.05042	1.1
69.03426	4.2
69.07071	1.3
69.63289	0.4
70.06595	39.1
70.32767	1.4
70.98125	2.9
70.99861	2.8
71.05003	0.8
71.95248	0.6
72.08159	4.9
73.01425	0.6
73.02924	6.0
74.00272	0.6
81.03423	1.6
81.04566	1.0
82.99837	4.6
83.00776	0.8
83.06142	0.6
84.01579	0.5
84.04507	2.6
84.08145	1.6
84.96030	1.2
85.01411	1.3
85.02909	8.1
86.07182	0.7
86.09708	5.7
86.99348	0.5
88.99168	0.6
89.00833	1.5
90.01556	0.9
91.03958	0.7
95.00794	0.5
95.03487	0.4
95.06105	1.2
96.01543	0.8
96.08131	1.6
97.02901	8.1
98.01302	0.9
98.06055	0.7
98.97589	15.6
99.04460	1.0
101.00886	43.0
102.00959	1.1
103.00626	1.2
103.02459	2.3
103.03936	0.5
104.01286	0.6
105.59548	0.5
106.01018	0.5
107.04964	1.5
108.01542	0.4
109.02900	1.2
110.01281	3.5
110.02391	0.9
110.97569	4.1
111.05517	0.5
112.99149	1.1
113.00883	3.6
113.02379	0.8
113.10764	0.6
114.05536	3.4
114.06672	3.0
114.09182	1.4
115.00671	0.9
115.02436	2.8
116.07100	4.3
116.98628	3.5
117.01939	1.0
117.02929	0.4
118.01037	1.2
118.08650	1.3
119.01915	60.1
120.02036	1.5
121.01657	1.5
121.03499	0.5
124.00993	0.7
124.07590	3.3
124.95506	1.3
124.99142	0.8
125.01737	1.0
126.09181	0.5
126.97063	0.5
126.98807	3.0
127.01497	0.6
127.03932	2.5
127.05042	0.6
128.02322	6.3
128.98611	5.0
129.00330	0.4
129.02071	0.5
129.03932	0.5
131.00195	0.8
131.01909	8.0
132.00737	1.3
133.01773	2.0
133.03468	11.1
135.03093	0.7
137.02925	7.5
138.00764	0.7
138.09100	0.4
139.00558	0.4
139.01465	1.9
139.03313	1.0
139.04233	2.8
139.52997	0.4
139.54245	0.6
140.02316	1.0
140.98587	0.7
141.01282	1.4
141.10226	1.4
142.03528	1.1
142.08640	30.6
142.96527	0.6
143.00153	1.0
143.01891	2.4
144.98108	0.4
144.99820	5.3
145.01608	1.4
145.03465	1.7
145.04979	0.8
146.02313	1.0
146.99692	2.9
147.01364	2.5
147.03165	1.1
148.02155	1.9
148.03786	8.0
148.04967	2.9
148.54039	0.8
149.01189	0.5
149.02951	1.1
149.04669	0.6
150.01668	0.5
151.01630	0.6
151.02747	0.5
151.04520	1.5
152.02307	0.4
153.01263	1.0
154.02072	0.9
154.07347	0.6
154.94193	0.4
155.00113	0.6
155.01802	0.6
155.02911	0.7
155.08260	0.9
156.03606	0.6
156.98108	0.5
157.02536	1.5
157.03586	2.6
157.04549	0.6
157.54726	0.6
158.99661	2.4
159.01332	1.4
159.05061	0.7
160.02040	1.3
161.01251	1.1
161.02940	3.7
161.55602	0.5
162.01802	1.6
163.00876	0.6
163.02608	0.9
165.00708	0.5
166.08635	0.6
168.01747	3.4
168.98338	0.8
168.99835	11.1
169.02576	1.7
170.08110	1.1
170.99663	1.3
171.05064	0.4
172.97693	0.9
172.99310	1.9
173.01176	0.5
173.02939	1.7
173.06711	0.5
173.99467	0.9
174.01807	0.8
174.42537	0.4
174.99176	1.2
175.02756	2.5
175.04491	3.1
177.00748	1.0
177.02393	2.3
178.03084	0.6
178.04910	0.5
181.02530	0.7
182.03391	0.5
183.02380	2.2
183.07631	5.9
183.11247	2.8
184.03107	2.1
184.04675	0.7
184.97534	0.8
185.02892	0.8
186.99164	1.2
187.00887	15.9
187.02667	1.5
187.04282	2.0
188.01152	0.6
188.97050	0.4
189.00690	1.9
189.04156	0.4
190.03108	0.8
190.98671	1.0
191.04005	1.2
192.02850	1.0
193.00198	0.9
193.03683	0.7
196.99315	2.9
197.01114	1.4
201.00789	0.8
201.02525	0.9
201.06026	0.5
201.12366	0.9
203.04031	1.0
204.02841	0.7
205.00188	1.8
205.01968	2.8
205.03741	0.9
205.05594	0.6
207.01846	0.7
213.03362	1.2
215.00386	13.9
215.02177	1.1
217.00227	0.8
219.01752	1.7
220.04022	1.1
220.06050	1.5
223.01210	0.7
229.01920	0.7
229.05775	0.8
229.08223	4.0
229.15474	100.0
230.11368	0.5
230.97946	0.4
233.01468	0.5
235.01302	0.5
237.02824	0.8
244.99812	0.5
247.01077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
51.05750	0.3
54.67122	0.3
55.01861	0.5
55.05492	1.1
57.03425	0.7
57.07077	0.4
57.35392	0.3
59.04993	0.4
67.05138	0.4
67.05503	7.3
68.99779	0.6
69.07073	0.5
71.01346	0.4
76.39101	0.3
79.05485	0.9
79.43439	0.3
81.03403	0.3
81.07076	1.4
83.08611	0.4
91.05490	2.2
93.07032	0.5
95.04902	0.4
95.08577	1.3
96.10081	0.3
98.97588	0.4
105.06998	1.1
105.72358	0.3
107.08611	0.4
109.09468	0.5
109.10154	5.8
111.08100	0.4
115.05464	0.6
117.07008	1.3
119.04916	0.4
119.08575	1.3
128.06221	0.9
129.06990	1.3
130.07788	0.3
131.04938	2.7
131.08574	2.1
133.10094	0.4
135.04378	0.4
137.09627	0.4
139.71286	0.3
141.06967	1.0
142.07710	0.8
143.08546	0.6
144.05693	0.4
145.06448	1.0
145.10143	2.6
147.04417	0.8
147.11694	0.7
152.06223	0.8
153.06984	0.9
155.06090	0.5
155.08533	2.5
155.10617	0.4
157.10126	0.5
158.07272	2.2
159.04436	0.8
159.08057	0.7
159.11684	0.8
165.06985	1.1
167.08562	0.8
168.05733	1.1
169.06479	1.0
170.07268	1.2
171.08157	0.4
172.05202	0.4
173.05962	0.8
173.09567	1.6
173.11758	1.3
173.13171	0.6
175.03954	0.7
176.04657	0.4
183.08073	1.8
183.11618	0.4
185.05956	2.4
185.09619	0.4
186.06743	2.3
187.03943	0.6
187.07396	0.5
187.14874	0.4
197.06003	1.4
199.03874	1.1
199.07538	0.6
200.04669	0.9
201.05452	1.1
201.09102	1.8
211.07549	5.8
212.08180	0.3
213.05464	12.4
214.06239	11.7
227.07051	1.1
229.08598	100.0
229.19553	2.2
229.23544	0.7
229.26347	0.5
230.08913	1.9
230.24770	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	229.0861
Annotation	Avicenol B
Peak:m/z	Relative Intensity
55.01865	0.5
55.05498	0.9
57.03424	0.7
64.81195	0.2
67.05512	3.0
69.07057	0.6
69.24982	1.8
70.06601	0.3
78.06630	0.2
79.05499	1.7
81.07065	2.0
83.08607	0.6
83.24185	0.2
85.02958	0.2
89.98077	0.2
91.05492	2.6
93.07044	1.7
95.08614	2.9
98.06063	0.3
98.98460	0.7
100.37832	0.2
105.07042	3.0
107.08604	1.0
109.10161	2.3
113.68306	0.2
115.05460	3.5
117.07018	1.5
119.08584	2.8
121.10130	1.3
128.06253	0.4
129.07022	0.9
130.07787	0.6
131.04921	0.4
131.08580	3.2
133.06554	0.4
133.10153	2.1
135.11670	0.8
140.67174	0.3
141.06996	23.3
142.07361	0.4
143.08649	0.3
145.06458	0.6
145.10133	3.0
147.11682	3.2
149.13249	0.5
152.06345	0.3
153.06970	0.5
155.01050	0.6
155.04906	1.8
155.08556	0.4
157.06494	4.8
157.10086	0.3
158.07266	1.9
159.11708	2.4
161.09779	0.3
161.13319	0.8
168.05714	3.1
169.06497	14.0
170.07298	1.6
171.04437	0.9
171.08018	0.5
171.11665	0.3
172.05157	0.3
173.11798	0.5
173.13234	2.9
175.03882	0.4
183.08061	0.9
185.05971	2.4
186.06772	10.9
187.07565	1.3
187.14828	1.2
187.16318	0.3
196.05203	1.4
197.05992	11.8
198.06714	0.3
199.07527	0.4
201.05528	0.3
201.09109	1.6
201.16396	0.7
205.98653	0.3
211.07571	0.6
213.05443	0.6
214.06259	1.5
229.08606	100.0
229.19521	12.5
229.23280	0.6
229.27150	0.2
230.08888	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	229.1224
Annotation	Stilbostemin B
Peak:m/z	Relative Intensity
51.02377	0.6
53.03948	1.6
55.01863	0.5
55.05511	0.4
57.03438	0.6
57.07074	1.4
58.06600	0.7
59.04975	0.4
60.08169	4.9
61.08507	0.8
65.03931	0.4
67.05503	4.5
70.06596	0.6
70.77061	0.7
70.77423	0.5
71.08640	0.5
71.25076	0.3
77.03917	0.5
79.05071	0.6
79.05496	7.1
81.03415	0.3
81.07040	0.9
91.05483	9.2
93.07042	2.9
95.04977	2.1
95.08601	0.8
99.00840	0.5
103.05467	7.4
105.07032	100.0
106.07382	0.8
107.05000	1.1
108.05722	1.3
109.06525	0.9
109.10162	3.2
118.04178	0.9
119.04951	1.3
119.08564	0.5
119.44138	0.3
121.06525	1.2
123.08070	2.9
125.05947	0.6
131.04984	0.5
131.08556	0.8
133.06502	2.2
133.10080	0.3
136.05203	2.2
137.05980	9.0
138.06770	3.1
138.34814	0.3
141.07008	0.9
145.06453	0.5
145.10104	1.0
151.07542	33.0
159.11714	0.4
159.98117	0.4
163.08417	0.3
169.06516	0.8
171.11697	0.5
173.11717	1.1
175.03906	0.4
183.08012	0.6
183.11615	0.4
186.06731	0.5
197.05965	0.5
198.06819	0.6
201.09184	0.4
211.07881	0.4
214.06210	0.5
228.26849	7.3
229.04898	1.1
229.08727	6.2
229.12236	22.5
229.15919	1.1
229.19531	1.5
229.23526	0.7
229.27206	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71134	0.7
53.03927	0.8
55.01863	1.3
55.05509	11.4
57.03439	19.4
57.07056	1.5
58.65240	0.8
59.05003	6.1
60.08131	0.9
65.03912	2.4
67.05505	100.0
68.05791	0.8
69.03392	3.2
69.07038	3.4
70.06576	1.0
71.04991	4.9
73.02870	0.7
79.05448	3.3
81.03355	1.4
81.07052	15.1
83.04934	1.3
83.08619	7.6
84.14154	0.8
85.02869	3.5
85.06490	3.0
91.04919	0.7
91.05480	10.8
93.07036	6.4
95.08614	9.7
97.02849	0.8
99.04428	1.7
103.03908	1.0
105.06972	3.2
107.04895	0.8
107.08603	3.7
109.06517	0.8
109.10156	91.5
110.10400	0.9
111.08025	3.1
117.06975	1.9
119.07848	0.9
119.08584	12.1
121.10179	1.4
129.06918	1.5
131.04886	0.8
131.08493	2.5
133.10045	1.0
137.08673	0.9
137.09605	10.3
142.08543	0.7
143.08499	1.7
145.10071	1.7
147.04366	0.9
155.08498	1.1
155.10687	5.5
159.11565	2.3
169.06360	0.9
173.10284	1.1
173.11736	22.1
173.13135	1.2
177.55527	0.7
183.11494	1.6
187.07520	0.9
197.05893	0.8
199.07491	2.2
201.09081	1.0
201.12769	0.9
211.07440	3.0
214.06068	1.1
229.04854	1.8
229.08632	6.6
229.12245	2.9
229.14233	27.5
229.16238	1.6
229.19339	4.2
229.23418	2.7
229.27048	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29361	0.4
51.50521	0.5
55.01868	0.7
55.05508	9.7
55.05761	0.8
57.03439	17.6
57.07074	1.7
59.05009	4.5
65.03947	1.7
67.05507	100.0
68.05833	0.9
69.03426	2.0
69.07066	2.8
70.73267	0.7
71.05003	3.8
72.74245	0.4
75.26264	0.5
79.05495	2.0
81.03424	0.8
81.07059	14.4
81.07536	0.8
83.04989	0.5
83.08625	6.8
83.33169	0.4
84.92472	0.4
85.02911	1.3
85.06546	3.3
86.06049	0.5
87.04477	0.7
91.05487	10.2
93.07047	6.3
93.51019	0.5
95.05000	0.6
95.08618	9.3
96.76519	0.5
97.06523	0.5
98.06057	0.5
103.03975	0.5
105.07025	1.7
105.53505	0.4
107.08615	2.4
109.10160	81.1
110.10528	1.2
111.08086	3.6
117.07016	1.2
119.08582	11.3
121.10140	0.8
122.53112	0.5
129.07062	0.6
131.08548	1.9
133.10158	1.0
137.09618	10.2
145.06418	0.7
145.10185	2.3
147.11676	0.9
155.08594	0.7
155.10652	5.7
157.10085	0.5
159.05754	0.6
159.11687	2.1
161.05043	0.5
164.56569	0.5
169.10110	0.6
173.09560	0.8
173.11752	21.8
173.13194	1.4
185.13289	0.6
187.14832	0.5
201.16220	0.6
211.13164	0.7
211.14925	0.8
225.00407	0.5
229.04929	0.9
229.08704	2.5
229.12468	1.3
229.14308	23.4
229.19319	3.6
229.23305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.01986	0.5
53.03955	0.7
55.01874	1.0
55.05516	12.4
56.11791	0.5
57.03438	18.1
57.07083	2.2
59.05010	5.4
64.00938	0.7
65.03939	2.3
67.05507	100.0
68.05848	0.8
69.03436	1.7
69.07072	3.1
69.30027	4.9
70.06593	1.4
71.04992	4.6
79.05501	3.3
81.03416	1.0
81.07066	16.6
83.04983	2.1
83.08625	8.3
85.02927	0.6
85.04505	0.7
85.06541	3.8
91.05473	7.0
93.07052	4.8
95.08601	6.9
98.97595	0.8
99.04372	0.6
99.08057	1.1
101.05988	0.6
105.07035	2.3
107.04944	1.5
107.08588	4.0
109.10161	86.6
110.10450	0.9
111.08075	2.9
115.05477	0.9
117.06992	1.1
119.08575	7.6
119.75480	0.6
121.06549	0.6
121.10167	0.6
123.11702	1.5
125.09634	1.2
127.11195	1.4
128.06175	0.8
129.06987	1.0
131.08527	1.4
133.10147	1.6
135.11662	1.0
137.09637	4.3
141.06970	1.6
143.08560	1.3
145.06438	1.0
145.10074	2.5
147.11534	0.6
155.08522	2.2
155.10649	7.9
156.09293	0.7
157.06493	0.6
158.07141	0.7
159.08026	1.5
159.11650	1.9
165.06966	1.4
167.14278	1.1
168.05640	1.0
169.06424	1.5
169.10114	1.3
169.12228	1.4
171.04404	0.7
171.07895	0.7
171.11708	1.0
173.05957	0.9
173.09552	1.2
173.11757	19.5
173.13211	1.8
177.36325	0.6
183.07982	2.5
183.11630	1.6
185.05818	0.7
185.09558	0.7
185.13177	0.8
186.06622	1.7
187.07545	0.9
187.11200	1.3
187.13477	1.3
196.05104	0.6
197.05907	1.7
198.06793	0.9
201.05379	1.5
201.08969	1.8
204.04062	0.8
211.07454	1.7
211.14955	1.1
211.16861	2.8
213.14662	1.0
214.06117	1.4
214.15706	0.8
229.05095	5.2
229.08574	13.5
229.12297	2.6
229.14227	24.8
229.17383	4.6
229.19502	2.4
229.23323	0.9
230.18996	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	0.7
55.05516	12.0
57.03437	17.8
57.07073	3.2
58.06603	1.3
59.05007	5.1
60.08173	5.5
61.08516	1.1
65.03944	2.0
67.05506	100.0
68.05843	0.6
69.03401	1.0
69.07078	2.3
70.06582	1.5
70.73719	1.9
71.04989	3.2
71.08633	0.9
79.05502	3.7
81.07051	15.1
83.08621	7.3
84.96009	0.7
85.02927	0.9
85.06572	2.9
91.05486	9.9
93.07049	4.1
95.04951	0.8
95.08605	7.2
105.07031	4.3
107.08601	3.9
109.10158	79.4
110.10516	1.7
111.08079	3.0
115.05439	0.9
117.07020	5.1
119.08598	7.7
121.10134	1.3
128.06268	0.8
129.07014	1.4
129.98415	0.6
131.08563	7.6
133.10143	2.4
135.11769	0.8
137.09605	4.3
141.06985	2.8
143.08508	0.9
145.10149	3.7
147.11685	2.5
153.06966	0.8
155.08618	1.2
155.10649	5.1
157.10139	0.8
159.08069	1.2
159.11703	2.3
165.07004	0.9
168.05693	1.2
169.06462	2.7
169.10187	1.1
171.11565	0.7
173.11761	20.0
173.13249	2.3
183.08061	1.9
185.13187	0.7
187.14807	1.2
197.05991	3.8
198.06627	1.1
199.07553	1.2
201.05452	0.8
201.09175	1.2
201.16263	0.7
204.63396	0.6
205.98851	0.9
211.07518	3.3
211.83131	0.8
214.06248	1.8
229.04950	1.8
229.08589	15.2
229.12306	2.3
229.14255	23.0
229.19470	9.3
229.23500	1.8
229.27202	27.3
230.24831	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	229.1436
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.63503	0.7
53.03919	1.1
55.01878	1.0
55.05510	10.3
56.37626	0.8
57.03436	17.9
57.07063	1.5
59.04998	6.2
65.03933	2.5
67.05507	100.0
68.05830	1.4
69.03421	1.3
69.07061	3.7
70.06577	1.0
71.04997	5.2
71.48114	1.5
79.05483	4.1
81.07058	16.6
83.08620	5.7
85.02885	1.0
85.06550	4.0
86.77800	0.8
91.05487	8.7
93.07046	5.8
95.04954	1.3
95.08611	8.2
105.07042	4.5
106.06573	1.0
107.04955	1.3
107.08615	4.0
107.10600	0.8
109.10160	88.0
110.10426	0.8
111.08074	3.7
115.05556	1.1
117.07053	0.9
119.07964	0.7
119.08598	7.9
120.89233	0.8
121.10165	1.7
123.11716	1.3
129.07018	1.0
131.08543	2.2
133.10101	2.3
135.08049	0.9
135.11653	1.4
137.09602	4.3
141.06981	1.8
145.06462	1.3
145.10101	3.8
147.11708	2.3
155.08553	1.8
155.10664	9.4
158.64214	1.0
159.08060	1.0
159.11641	4.2
165.06999	2.1
168.05768	1.3
169.06438	2.2
170.07109	0.9
171.11603	1.0
173.09616	0.9
173.10168	1.1
173.11766	18.9
173.13240	2.3
183.08119	4.7
186.06783	2.2
187.14809	1.0
197.05989	2.6
198.06741	3.3
201.09071	3.0
201.10890	1.2
211.07521	4.6
214.06216	5.9
229.05051	1.7
229.08537	18.7
229.10544	11.0
229.14243	23.8
229.19443	7.6
230.11682	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.19085	0.6
54.01779	0.7
55.01853	0.7
55.05510	11.0
56.96561	0.7
57.03438	18.9
57.07076	1.6
59.04995	5.5
65.03947	1.3
67.05505	100.0
68.05847	1.1
69.03426	2.6
69.07065	3.7
70.06586	1.3
71.04990	3.4
78.04685	1.0
79.05488	3.2
81.03413	1.1
81.07051	15.6
83.04983	2.6
83.08621	8.4
85.06552	5.0
91.05479	7.8
93.07049	4.7
95.05009	1.2
95.08611	6.9
99.08104	0.8
105.07049	2.2
106.04166	1.1
107.04983	1.7
107.08567	3.4
109.02908	0.8
109.10157	87.1
110.10517	0.9
110.62218	0.6
111.08082	4.3
115.05482	1.2
116.98634	0.7
117.07038	2.6
119.04940	1.0
119.08581	8.4
121.06491	0.8
121.10170	1.1
123.04377	0.7
123.11743	2.0
125.09618	1.5
127.11205	1.2
129.06973	0.8
131.08557	1.2
133.10149	1.7
134.03683	1.0
135.11690	1.2
136.20651	0.7
137.09654	3.0
141.07059	1.1
142.04161	1.8
143.08582	1.2
145.06509	1.6
145.10149	2.6
149.13242	0.7
155.05006	0.7
155.06120	0.8
155.08641	1.6
155.10660	7.3
157.10120	1.1
159.11728	2.0
165.07022	0.9
167.14378	1.5
167.88428	0.7
168.05748	0.9
169.06487	1.4
169.10101	1.0
169.12294	2.2
171.05632	0.8
171.11691	0.8
173.06044	1.2
173.11765	18.2
173.13290	1.7
183.08092	3.0
183.11690	0.8
185.06107	0.9
186.03148	2.0
187.07535	1.1
187.11269	0.9
198.06891	0.9
199.03969	1.1
201.05513	2.0
201.09216	1.8
204.04163	1.6
211.07603	1.4
211.15137	0.8
211.17032	2.3
213.14705	1.5
214.02647	1.6
214.06302	1.4
229.04999	16.7
229.08516	11.0
229.12300	2.5
229.14220	20.9
229.17900	2.6
229.19653	3.0
229.23547	1.7
230.19084	6.9
231.69820	0.7
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	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01868	0.9
56.96572	3.4
57.03440	1.5
58.06320	0.4
58.06601	6.1
59.07376	1.4
60.07885	0.5
60.08165	6.4
61.02929	1.8
68.05017	1.2
69.03434	2.0
70.06596	39.6
70.98103	0.6
70.99818	0.4
71.05001	0.3
71.47675	0.5
72.08149	2.9
73.02922	2.0
81.03414	0.4
81.04551	0.5
82.99828	0.6
84.04513	1.8
84.08137	0.6
85.02907	1.9
86.09701	1.8
87.60152	0.3
95.02630	0.4
95.06094	0.8
96.08116	1.6
97.02886	2.1
98.01281	0.3
98.06042	0.7
98.97597	4.2
99.02055	0.3
99.04451	0.4
101.00889	5.5
103.00561	0.4
103.02438	0.4
107.04967	0.6
110.01270	1.1
110.97581	1.7
112.02677	0.4
112.99163	0.4
113.00868	1.1
114.05541	4.0
114.06684	0.6
114.09159	2.3
115.00671	0.4
115.02469	0.7
116.07082	1.1
116.98606	0.5
118.01073	0.4
118.08643	0.4
119.01901	7.3
120.01984	0.3
124.07601	3.2
124.99048	0.3
126.09185	0.7
126.98808	0.4
127.03930	0.7
127.04962	0.5
128.02306	1.6
128.98625	1.2
129.02060	0.4
131.01865	1.4
132.00771	0.6
133.01689	1.0
133.03453	1.2
137.02910	0.9
139.03311	0.7
139.04262	0.4
142.08644	34.0
143.00192	0.3
143.01877	0.5
144.99863	0.4
145.01572	0.4
146.02267	0.3
146.99620	0.8
148.02023	0.7
148.03862	5.8
148.53938	0.4
156.53831	0.4
157.04509	0.4
158.99641	0.7
160.02054	0.4
161.02837	0.5
162.01775	0.3
168.01852	0.6
168.99809	1.0
170.08122	1.3
170.99686	0.6
172.97530	0.3
175.02710	0.4
175.04471	0.4
177.02292	0.6
181.02560	0.4
181.04362	0.3
183.02292	0.7
183.11266	1.9
184.03188	0.5
185.33833	0.3
187.00934	2.1
189.00693	0.6
191.03957	0.4
196.99435	0.4
199.03589	0.3
205.00230	0.4
205.01962	0.5
213.03465	0.4
215.00410	2.1
219.01791	0.7
220.05980	0.6
229.15480	100.0
230.15913	1.7
230.17932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1551
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01876	1.1
55.05518	0.3
56.96569	34.3
57.03438	1.7
58.06315	0.3
58.06603	5.6
59.07396	1.2
60.04529	0.3
60.08167	7.6
61.02935	2.0
64.96453	0.2
68.05044	1.1
69.03437	1.7
70.06597	35.6
70.29933	0.5
70.98128	2.0
70.99855	0.6
71.04982	0.6
71.37820	0.2
71.95278	2.5
72.08158	1.4
72.96050	2.5
73.02922	2.9
74.97632	0.9
78.33380	0.2
81.03414	0.8
82.99861	1.3
83.97632	1.3
84.04501	0.6
84.08150	1.4
84.96044	2.1
85.02910	2.8
86.09717	4.6
87.04520	0.2
88.11962	0.3
89.00835	0.4
96.01547	0.3
96.08139	1.9
97.00525	0.3
97.02901	2.2
97.99187	0.3
98.06065	0.9
98.97591	72.2
99.04450	0.5
101.00884	9.9
102.00896	0.3
102.01585	0.3
102.97066	0.3
103.02364	0.3
104.01289	0.6
106.01034	0.3
106.02821	0.2
107.04968	2.8
109.02888	0.3
110.01328	1.2
110.97581	3.1
112.99149	0.7
113.00861	0.6
114.05531	4.2
114.06683	0.7
114.09167	2.1
115.00676	0.7
115.02441	0.8
116.00217	1.2
116.07082	1.4
116.98628	27.6
117.99023	0.2
118.01042	1.0
118.08614	0.2
119.01916	15.0
120.02058	0.4
121.01632	0.3
123.00177	0.4
123.04747	0.2
123.05542	1.5
124.00790	0.9
124.07613	3.4
124.95577	0.2
125.01801	0.5
125.74201	0.2
126.02303	1.7
126.09187	0.5
126.98766	0.8
127.00736	0.3
127.02425	0.3
127.03944	0.9
128.02336	1.5
128.98596	2.4
130.01019	0.4
131.00168	0.5
131.01906	2.2
132.00775	0.6
133.01680	0.9
133.03458	1.5
134.01302	0.7
134.02296	0.3
134.99673	6.1
135.04422	0.2
136.06223	0.3
137.02957	1.8
138.00697	0.4
138.99397	0.3
139.01540	0.8
139.03368	0.4
140.00237	0.5
140.03842	3.5
140.98573	0.4
142.01738	0.2
142.05475	2.7
142.08643	30.7
143.00154	0.7
143.01918	0.6
143.03714	0.4
143.08984	0.4
144.03351	0.8
144.99849	1.3
145.03467	0.4
146.02353	0.6
146.99638	0.9
147.01308	0.7
147.03165	0.3
148.02057	0.9
148.03871	3.8
151.01546	0.5
151.02704	0.3
151.04500	0.3
152.02266	0.3
152.05702	0.3
153.01195	0.3
153.02277	0.5
154.02094	0.5
155.02824	0.3
156.03377	0.3
156.98161	0.3
157.02547	1.2
157.03552	0.5
158.04884	3.6
158.99625	1.2
159.01398	0.4
159.03207	0.3
160.00081	0.3
160.02097	1.5
160.06471	4.6
161.01186	0.4
161.02951	1.0
161.04750	0.4
162.01807	0.5
165.00784	0.3
168.01817	1.0
168.51990	0.3
168.98203	0.4
168.99834	2.1
169.02582	1.2
170.04915	3.1
170.08133	1.8
170.99672	1.2
171.03302	2.3
172.97557	0.3
172.99284	0.4
173.01210	0.4
173.02992	0.3
174.01828	0.8
174.99217	0.4
175.00816	0.3
175.02643	1.4
175.04320	0.4
176.03372	0.3
176.05971	0.7
177.00723	0.5
177.02344	0.4
178.07484	0.5
181.02684	0.5
182.01663	0.3
182.03346	0.4
183.02359	1.3
183.11328	0.6
184.03000	1.4
186.99156	0.7
187.00905	4.9
187.02742	0.7
187.04578	0.6
188.05949	4.3
189.00836	1.1
189.04359	7.4
190.03110	1.0
192.02878	0.6
193.04007	0.2
196.99361	0.8
197.01059	0.4
199.03709	0.4
201.00687	0.6
202.07556	0.4
203.05927	0.3
204.02866	0.4
205.00194	1.0
205.01965	0.9
205.03795	0.5
205.05630	0.5
206.07016	14.0
207.01804	0.4
207.05415	2.4
212.05948	0.6
212.97169	0.3
215.00381	2.9
215.02251	0.4
219.01749	1.1
220.04184	0.8
220.06073	0.4
224.08067	11.2
229.15486	100.0
230.07022	7.3
230.15891	1.8
231.05341	1.7
233.01512	0.3
237.02795	0.9
244.99600	0.4
247.09683	0.7
248.08084	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	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03943	1.9
55.05515	70.0
57.03436	8.9
57.07077	7.6
59.05005	15.1
67.05507	52.2
67.05788	0.9
69.03437	15.2
69.07070	25.6
70.93086	3.1
71.05002	12.6
72.63783	1.6
73.06564	2.7
79.05066	1.7
79.05481	9.9
81.03427	2.4
81.07060	32.6
83.04984	62.5
83.08617	41.8
84.40850	1.7
85.06548	30.4
87.04475	4.7
91.05463	9.5
92.37378	1.6
93.07050	22.5
95.04965	9.9
95.08611	24.6
97.06482	2.8
97.10199	8.4
99.08109	14.7
101.06016	11.8
105.07032	12.4
107.08600	38.0
109.06526	2.1
109.10160	100.0
109.35789	1.7
111.08079	8.4
113.05979	3.1
115.05458	2.0
117.07031	1.9
117.13536	1.6
119.08601	17.4
121.10160	14.4
122.13187	1.7
123.08112	3.4
123.11712	40.2
125.09644	18.4
127.11189	31.4
129.06963	2.2
131.08574	4.3
133.10112	10.4
135.11693	26.6
137.09630	5.8
143.08604	2.3
145.06528	2.1
145.10143	4.4
147.11685	3.4
149.13286	15.1
151.11163	13.2
151.14902	2.9
153.12740	11.5
155.08603	3.3
155.10696	4.8
159.11717	4.4
165.07062	3.0
167.14331	31.1
169.10126	2.1
169.12253	34.7
171.11603	2.3
171.13855	3.0
173.09625	3.7
173.11816	3.8
173.13277	3.9
175.14844	9.6
183.08090	5.4
185.15388	6.2
193.15903	21.5
201.09052	2.4
201.12621	2.2
211.07622	4.0
211.11263	2.2
211.14919	4.7
211.16934	60.7
213.14650	10.7
229.04971	4.9
229.08575	14.6
229.12321	3.6
229.14185	4.0
229.15923	5.1
229.17770	43.0
229.19556	5.5
229.23352	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	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03913	0.1
54.98637	0.4
55.95762	0.2
56.96568	26.7
57.03435	0.2
60.08172	0.2
61.02931	0.2
68.98295	0.1
69.03423	0.4
69.07063	0.4
69.56498	0.9
69.56901	0.3
70.06595	0.6
70.98125	0.5
71.95273	3.0
72.08162	0.6
72.96049	1.4
73.02910	0.3
74.06078	0.2
74.97655	0.2
76.06787	0.1
83.97638	1.2
84.08160	0.5
84.96025	1.1
85.02909	0.3
86.09711	2.8
97.02882	0.2
97.99200	0.5
98.97589	100.0
99.04495	0.2
99.97915	0.2
101.00871	0.6
102.01039	0.3
109.99119	0.2
110.97577	0.9
112.91010	0.2
112.99143	0.5
114.06677	0.3
115.00707	0.4
116.00227	2.1
116.98627	36.2
117.98976	0.2
119.01901	0.5
120.02057	0.5
124.00726	0.5
126.02298	1.0
127.00698	0.3
127.03902	0.2
128.98608	0.6
129.02283	0.4
131.00183	0.2
134.01285	1.1
134.99663	7.5
140.00204	0.6
140.03839	2.2
142.01817	0.3
142.05409	2.0
143.00142	0.2
144.03308	0.3
148.03886	0.7
148.54031	0.4
153.00757	0.4
153.02228	0.5
158.01318	0.2
158.04890	2.0
158.99670	0.2
159.11292	0.6
160.06496	2.1
168.03700	0.2
170.04900	1.5
171.03282	2.7
176.05878	0.3
184.06451	0.2
188.01042	0.2
188.05963	2.6
189.00742	0.5
189.04359	6.8
202.07477	0.8
203.05876	0.3
204.23257	0.2
206.07016	6.9
207.01773	0.2
207.05444	2.3
207.07333	0.3
212.05927	1.0
213.04396	0.3
216.00500	0.3
224.08063	5.3
230.07016	10.1
230.11449	0.3
230.15820	1.0
230.18443	0.3
230.98351	0.2
231.05438	1.2
231.07430	0.2
248.08073	11.4
248.99220	0.5
249.06418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
53.59348	0.3
59.20192	0.3
65.03918	0.4
67.05510	2.0
69.03388	1.1
70.57477	0.9
72.91217	0.3
73.84561	0.3
79.05456	0.7
81.03394	0.5
81.07013	0.8
86.06025	0.8
91.05480	4.1
95.61736	0.3
96.04433	0.3
98.06009	0.6
103.05450	0.4
104.04961	0.5
105.07018	0.3
106.06530	0.6
115.05410	1.3
115.06195	0.3
128.06226	2.3
129.07007	4.9
134.06039	0.3
141.05980	0.5
141.06993	5.5
142.07735	0.8
143.07240	0.7
143.08545	0.9
144.08061	1.9
144.09157	0.5
146.06012	0.7
152.06213	2.0
153.07014	1.7
154.06607	0.6
154.07774	6.7
155.08478	0.7
156.08089	0.8
157.10106	0.5
158.09618	0.5
165.07019	1.6
166.07744	0.5
167.07147	0.4
167.08554	5.2
168.07988	1.5
169.07718	0.4
169.08847	4.4
169.10136	1.4
169.12202	0.3
170.07162	0.3
179.49837	0.3
182.06058	2.5
183.06789	1.1
184.07509	0.4
184.11200	4.2
194.09673	0.5
195.08139	0.4
196.07655	0.9
197.08383	3.3
212.10709	100.0
213.11006	1.3
230.11780	28.8
231.06610	0.3
231.10172	0.6
231.12181	0.5
249.22852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04822	0.3
53.03930	0.3
59.53433	0.3
61.70354	0.3
65.03918	0.4
67.05482	1.1
68.05798	0.3
69.03408	1.0
69.35520	2.3
70.06574	0.3
79.05486	0.7
81.03406	0.3
81.07050	0.5
86.06065	0.5
86.15829	0.3
91.05479	3.2
98.06025	0.4
104.04976	0.4
107.04932	0.5
115.05434	1.3
116.10698	0.3
117.07017	0.6
128.06184	1.9
129.07007	4.5
130.06529	0.3
136.06035	0.3
141.06984	5.1
141.08009	0.5
142.07729	0.4
143.07379	0.5
143.08551	1.0
144.08075	0.9
146.06055	0.4
152.06207	2.1
153.06982	1.3
154.06583	0.5
154.07773	5.1
155.06161	0.3
155.08562	0.8
156.08031	0.6
161.33743	0.3
165.07053	1.5
166.07724	0.7
167.08571	4.2
168.08081	1.0
169.08870	4.2
169.10161	1.2
170.09592	0.4
182.05992	2.3
183.06760	0.6
184.07550	0.5
184.09637	0.4
184.11201	4.8
189.23471	0.3
194.08023	0.5
194.09680	0.8
195.07957	0.4
196.07571	1.3
197.08377	3.7
202.03226	1.3
210.09172	0.4
212.10713	100.0
213.11008	1.6
230.11780	28.9
231.06450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.03960	0.2
55.05503	0.2
56.96569	0.1
67.05498	0.6
68.05832	0.3
69.03421	0.3
70.06589	0.3
70.57005	0.2
70.57352	0.4
74.40767	0.1
79.05489	0.2
81.07023	0.2
82.07400	0.2
85.02896	0.2
91.05515	0.2
95.08598	0.2
97.02895	0.2
98.06052	0.4
105.07022	0.2
106.06559	0.4
107.04964	0.3
109.10143	0.3
110.10470	0.5
115.05478	0.1
118.06619	0.2
119.08566	0.2
130.06541	1.1
131.07314	0.3
144.08057	0.4
145.08922	0.2
158.09645	1.7
159.10419	0.2
160.68036	0.1
170.06032	0.8
172.11191	1.7
173.12006	3.4
184.08507	0.2
186.12807	1.5
187.13559	8.8
188.14359	1.1
194.08141	0.1
200.14383	2.0
201.15079	0.6
202.15843	0.2
205.10925	0.2
212.07109	1.1
214.15912	10.3
215.16652	2.1
219.12730	0.2
228.17488	0.3
230.19041	100.0
231.10121	0.2
231.19376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	58.0
56.96809	12.5
67.70062	10.3
69.03423	12.1
69.09995	9.9
69.18814	81.1
69.19220	15.1
70.06583	37.0
71.06903	12.3
84.08162	13.4
84.96033	14.7
86.09724	23.5
86.10223	10.4
92.84032	10.2
93.54443	9.3
98.20805	20.5
98.97589	34.9
101.00893	99.7
103.00643	25.2
107.92229	10.5
113.00920	17.8
119.01923	100.0
121.01661	40.8
131.01888	67.1
132.27980	10.1
133.03473	22.5
143.01891	25.7
143.08968	16.1
149.05434	9.7
159.05093	24.7
161.02940	18.4
170.99585	14.8
172.99437	10.5
173.03062	23.1
178.15802	9.8
189.00685	10.0
191.03999	15.3
199.00902	23.0
217.00098	18.2
217.02017	22.6
230.15826	41.2
231.03438	20.4
231.06517	10.8
248.99146	31.0
254.14766	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	35.0
57.03443	6.3
58.06598	6.3
61.02932	10.0
62.93236	4.4
64.73231	4.2
69.03429	33.1
69.03763	5.8
69.07063	11.7
69.65322	16.0
69.65724	12.0
69.83912	4.3
70.06592	37.4
70.99857	4.7
71.04998	11.0
71.06909	7.0
72.08157	16.1
74.06079	10.9
81.03418	20.9
84.04512	8.8
84.08150	19.5
84.96058	11.5
85.02936	23.4
86.06054	4.6
86.09708	100.0
87.00811	5.5
97.02903	14.2
97.06554	4.2
97.16103	5.0
98.97585	23.4
101.00882	59.3
103.00645	32.1
109.02876	7.2
111.35983	4.6
113.00877	10.3
113.02406	7.7
114.06647	6.8
115.02431	5.7
116.07088	7.3
116.98623	8.4
119.01922	91.4
120.06627	7.1
120.08077	5.3
121.01704	38.2
124.99118	6.3
126.09164	10.7
127.03938	10.6
131.00206	4.7
131.01915	38.2
133.03482	19.2
135.03242	8.2
137.02945	17.5
139.02615	5.3
142.08618	5.5
143.00211	5.9
143.01930	14.8
143.09000	12.6
144.09154	5.7
149.02937	12.6
155.01898	8.6
157.03450	8.2
158.99612	5.4
159.05083	15.1
161.01289	5.2
161.02977	18.7
170.99570	7.3
171.01448	8.5
171.04901	5.4
171.18555	5.0
173.02989	14.3
177.06071	5.5
185.02985	16.7
186.99237	5.6
189.00774	10.8
189.02422	9.6
191.04019	8.0
203.04079	10.1
208.04655	12.4
217.00116	7.1
217.01993	13.0
230.11366	4.6
230.15814	45.2
231.03494	11.2
231.06848	7.5
231.09999	11.0
231.16624	5.7
248.99231	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03723	1.1
53.03947	16.0
55.01859	2.8
55.05505	4.9
56.68301	0.9
57.03437	6.5
57.25523	0.9
57.33278	0.8
60.55011	0.9
61.02916	3.1
67.05494	4.7
68.99783	4.4
69.03429	100.0
69.07064	9.2
69.71181	3.2
69.71600	1.7
70.06575	1.5
71.01353	1.5
71.04998	14.4
72.08152	8.3
79.05501	4.5
81.03416	44.4
81.07064	6.7
83.01337	1.0
83.04972	2.8
83.08602	1.2
84.04465	0.9
85.02905	47.9
85.06537	1.8
86.09711	4.6
87.00830	26.1
91.05478	6.8
93.07030	4.4
95.04964	1.0
95.08576	4.0
97.02889	22.0
97.06531	1.9
97.10168	1.6
99.04453	28.4
99.08040	1.1
105.01870	2.9
105.07024	3.7
107.04987	4.9
107.08587	1.7
109.02873	18.8
109.06535	1.4
109.10161	2.6
115.05431	1.7
117.06998	1.6
119.04929	6.1
119.08552	3.4
120.08090	1.4
121.06488	2.9
121.10123	4.3
127.03912	27.1
128.06190	1.8
129.07004	2.3
131.08548	2.0
133.06488	0.9
133.10168	1.2
135.11670	1.0
137.05981	3.3
139.11150	2.7
141.06915	0.9
142.07758	2.5
143.04884	0.9
143.08568	2.1
145.04950	3.5
145.06476	2.0
145.10092	3.3
147.04399	25.9
147.07986	1.3
147.11702	1.6
152.06271	1.0
157.06494	3.2
157.10117	3.1
159.08066	1.4
159.11658	1.5
161.05923	1.6
161.09607	0.9
167.08557	1.3
169.06393	1.4
170.07275	1.5
171.08063	2.5
171.10222	1.1
171.11684	2.6
175.03880	2.2
175.07545	1.4
177.16418	1.1
185.05984	1.7
185.09622	4.1
185.13202	1.5
187.07535	1.0
189.09061	1.7
195.08060	2.5
195.17458	1.2
198.06830	1.0
203.03545	1.4
203.07034	1.3
203.10562	1.6
213.03839	4.6
213.09114	7.5
213.12859	1.5
213.16476	1.3
213.18394	1.1
231.02786	1.9
231.04892	3.1
231.06577	3.9
231.10013	9.2
231.13895	3.9
231.15851	1.4
231.17500	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34259	0.7
53.03716	1.1
53.03951	13.3
55.01863	2.5
55.05515	2.5
55.93525	1.2
57.03432	5.5
57.07079	0.7
61.02903	1.2
67.05515	1.1
68.07726	0.8
68.99785	3.6
69.03433	100.0
69.07053	1.9
69.26801	0.7
70.06583	0.8
70.76266	2.3
71.05002	11.8
71.92975	0.7
72.08148	7.7
72.93789	1.2
73.81972	0.6
81.03422	54.0
81.07060	2.4
83.01345	2.1
83.04989	1.5
83.08636	0.8
84.08142	0.9
85.02911	57.0
86.09706	4.0
87.00834	28.3
87.01360	1.8
90.94812	1.6
91.05489	2.4
93.07043	1.1
94.52406	0.8
97.02301	1.5
97.02900	27.3
97.75101	0.7
99.04460	25.3
105.01860	3.9
105.07032	2.2
107.04978	7.5
109.02140	1.0
109.02889	18.4
109.06516	0.9
111.64599	0.8
115.05473	1.0
117.88198	0.8
119.08600	0.9
120.08116	2.1
121.02906	0.8
121.06520	2.7
125.10744	0.7
127.02973	1.6
127.03920	32.6
129.07024	1.2
133.03339	1.6
133.06461	1.1
133.10220	1.0
137.05984	2.9
138.64888	0.8
142.07756	1.2
143.08571	1.2
145.04942	3.4
152.83858	0.8
157.06471	1.0
157.10097	1.4
171.02867	1.2
171.08102	0.9
175.07542	1.5
185.09665	1.0
190.55392	0.9
203.07019	1.0
208.04057	1.0
213.03897	3.9
213.09111	1.6
231.04811	7.4
231.06834	1.0
231.09950	3.9
231.13817	2.6
231.17461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01890	1.3
55.05515	37.7
57.03426	3.7
57.07072	2.5
59.04993	2.2
65.03941	1.0
67.05509	1.2
68.32744	0.8
68.55788	0.7
68.99775	2.0
69.03089	1.1
69.03430	15.0
69.07040	0.9
71.04993	8.3
71.08626	3.0
71.39937	1.6
72.08157	8.7
79.05495	27.6
81.03420	4.1
81.07056	100.0
82.07401	1.5
83.04985	12.3
83.08231	0.9
83.08629	11.5
84.04496	1.6
85.02901	4.7
85.06554	8.9
86.09699	3.4
87.00829	37.9
91.05476	1.9
97.02887	4.6
99.04434	2.8
99.08099	6.9
101.06010	1.8
105.01869	2.9
105.07011	1.4
107.04952	2.9
107.45387	0.8
109.06519	47.1
117.09139	3.9
119.72955	0.8
120.08098	1.3
121.06504	1.9
126.04331	0.8
127.03917	3.0
127.07558	46.3
130.06584	0.9
132.91469	0.9
137.05972	2.4
145.08606	13.2
145.09944	1.3
158.09688	1.6
185.06094	0.8
189.09085	1.1
207.77859	0.9
213.12631	0.9
231.06569	1.5
231.08568	3.0
231.13780	1.6
231.17175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Tetrahydromaturinone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01868	0.5
55.05509	1.6
56.74059	0.3
56.78278	0.2
57.03417	0.5
58.91772	0.2
60.03874	0.3
65.03955	1.3
67.05504	1.9
68.39391	0.3
68.99787	0.4
69.03430	8.7
69.07063	0.5
70.06597	1.4
70.57667	0.9
71.04984	0.8
72.08156	8.5
77.03889	0.3
79.05486	0.7
79.27892	0.3
81.03420	4.6
81.07048	0.9
83.04967	0.5
85.02910	3.7
86.09700	0.9
87.00840	1.8
91.05482	12.5
93.03375	0.3
93.07048	1.9
95.04993	0.5
95.08614	0.5
97.02898	1.7
97.06551	0.3
99.04449	1.9
105.01804	0.3
105.07088	0.7
107.04964	2.8
109.02909	1.5
109.06528	0.8
109.10118	0.6
111.00845	0.3
115.05461	0.3
117.07035	0.5
119.04947	26.6
119.08555	0.6
120.08080	0.4
121.06499	1.0
123.04398	0.5
127.03897	2.2
128.06244	0.6
129.07037	0.7
131.04933	0.4
131.08606	0.4
133.06499	0.8
133.10115	0.8
135.07948	0.3
137.05972	1.2
140.99004	0.3
141.06982	0.5
142.07793	0.6
143.08566	0.8
144.05728	0.7
145.06493	1.3
145.10121	0.9
147.04413	100.0
148.04761	1.1
152.06178	0.4
153.06952	0.4
154.07726	0.3
155.06065	0.3
157.06490	1.2
157.10124	0.9
159.08037	0.8
159.11678	0.4
165.06920	0.3
167.08583	0.9
170.07272	1.0
171.08092	1.6
171.11694	0.3
173.06093	0.3
175.03990	0.3
175.07544	0.3
185.09612	5.3
185.13161	0.4
187.11133	1.1
189.09229	0.3
195.07996	0.8
195.11653	0.3
198.06828	0.5
199.07591	1.2
203.07024	0.5
203.10657	1.0
213.09224	2.0
213.11029	0.8
213.12761	0.8
213.16408	0.3
231.04958	0.7
231.10138	8.3
231.13872	1.0
231.17441	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	231.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26017	0.3
53.03949	2.4
55.01855	1.3
55.05503	1.1
55.66141	0.4
57.03427	0.9
57.19027	0.3
65.03920	1.4
67.05505	2.3
68.99791	0.6
69.03432	17.3
69.07079	0.4
70.06584	0.6
71.04996	2.3
71.48492	0.6
72.08157	4.1
79.05484	0.9
81.03420	7.8
81.07009	0.7
83.01324	0.3
83.04985	0.3
85.02908	8.3
85.06538	0.7
85.62285	0.3
86.09704	1.1
86.80476	0.3
87.00833	4.2
91.05485	13.0
93.07047	1.9
97.02896	3.7
99.04459	4.3
105.01865	0.6
105.07034	0.9
107.04977	1.4
107.08631	0.5
109.02875	3.3
109.06513	0.5
109.10126	0.3
111.04467	0.4
115.05459	1.1
117.07050	0.4
119.04946	27.7
119.08566	1.0
127.03915	4.4
128.06184	0.8
129.07027	1.7
131.04933	0.4
131.07567	0.3
131.08549	0.6
133.10147	0.9
135.08012	0.4
137.05977	0.7
141.07011	0.8
142.07817	2.3
143.04922	0.9
143.08563	1.5
144.05692	1.2
145.04977	0.6
145.06490	1.1
145.10172	0.7
147.04413	100.0
147.11687	0.5
148.04738	1.0
152.06218	1.5
153.07030	0.4
157.06485	2.9
157.10146	1.6
159.08092	0.4
159.11736	0.4
161.05991	0.5
161.09599	0.5
165.06995	1.1
166.07722	0.4
167.08574	2.6
169.06525	0.9
170.07285	2.2
171.03142	0.4
171.04385	2.1
171.08002	1.7
171.11668	0.7
173.13226	0.4
175.07594	0.7
181.06490	0.8
184.05110	0.3
185.05957	0.9
185.09647	4.2
185.13235	0.4
185.98590	0.3
187.07545	0.5
187.11140	0.7
189.09077	0.5
195.08035	6.7
197.06015	0.8
198.06789	1.5
199.03923	0.4
213.03847	0.6
213.09113	13.3
213.12502	0.5
213.16402	0.7
231.03018	0.4
231.06522	1.0
231.10124	5.1
231.13690	1.9
231.17415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03931	4.2
55.01868	1.7
55.05511	5.3
56.61084	1.1
57.01687	1.0
57.07053	1.2
57.18293	1.2
65.03928	3.5
67.00349	1.1
67.05511	9.0
69.03410	4.8
69.07040	4.6
69.58732	6.8
71.04945	1.6
77.03900	1.3
79.05492	15.8
81.03405	3.2
81.06599	2.1
81.07055	34.4
89.03937	5.7
91.05483	36.9
93.07043	22.2
95.04958	4.7
95.08602	14.1
97.06520	1.4
99.04445	1.3
103.05451	3.5
105.07036	43.2
107.04963	1.8
107.08601	14.2
109.02863	4.7
109.06498	2.8
109.10145	4.5
115.05420	5.1
116.06208	2.7
117.06255	1.4
117.07026	22.1
119.04941	6.1
119.08591	22.4
121.06512	6.0
121.10165	6.7
123.08077	1.5
128.06239	17.2
129.07014	25.9
130.07802	7.3
131.07603	2.2
131.08566	41.6
132.02087	1.4
132.09340	3.9
133.06483	4.1
133.10144	12.4
135.04375	1.5
135.08080	1.5
137.05960	4.4
141.06958	4.8
142.07779	14.3
143.08559	64.4
144.09288	4.7
145.02792	5.3
145.06509	4.3
145.10120	46.0
146.10873	5.1
147.04366	3.2
147.08034	8.0
147.11708	3.0
149.05991	2.6
151.07503	5.3
154.07771	2.0
155.08569	8.3
156.09340	7.6
157.06519	5.2
157.10139	31.9
158.07199	1.9
159.08032	4.8
159.11700	26.1
160.01576	11.0
161.05983	5.7
161.09608	10.5
161.13203	3.8
163.07503	2.5
165.06978	6.6
167.08577	2.7
169.10188	2.0
170.10905	9.9
171.08043	11.2
171.11656	10.4
173.09612	18.7
175.03903	34.1
175.07549	17.3
175.11154	5.2
175.14742	2.2
178.58817	1.2
180.09341	3.5
183.11653	2.9
185.09642	4.5
185.13257	87.6
186.13586	1.9
187.11169	1.7
187.14812	2.9
188.01033	13.2
189.09117	11.6
189.12733	9.6
195.11690	10.0
198.10342	2.5
202.57639	1.2
203.03429	17.6
203.10699	9.2
203.14326	15.1
213.05466	2.0
213.12761	23.9
231.02896	41.7
231.10088	2.5
231.13797	100.0
231.17519	3.0
232.14119	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
51.68081	0.2
53.03948	0.4
55.05515	12.4
57.05818	1.0
58.39429	0.2
63.67265	0.2
66.27647	0.2
69.03432	1.1
70.62886	0.7
72.08160	100.0
73.08493	0.5
75.22765	0.2
79.05488	0.3
80.26318	0.3
81.03429	0.5
81.07053	0.5
85.02924	0.5
86.09708	4.6
87.00832	0.5
99.04477	0.2
102.91057	0.2
104.51372	0.2
108.22029	0.3
132.10219	3.6
175.04001	0.4
185.16553	0.8
222.04745	0.2
231.10027	0.3
231.17068	2.2
238.46092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1333
Annotation	Awaine
Peak:m/z	Relative Intensity
55.05513	0.5
55.47105	0.3
63.02359	0.3
65.03942	1.7
67.05515	0.6
69.03447	0.5
69.57634	1.6
73.57477	0.3
75.83395	0.3
78.10170	0.3
79.05477	0.5
80.05019	0.6
81.07053	0.8
82.06578	0.5
83.08579	0.2
84.04509	0.4
84.08149	2.8
85.02903	0.3
85.91978	0.3
91.05486	100.0
92.05819	0.9
93.07041	0.3
94.06570	4.4
95.07345	0.9
96.04478	1.1
98.09694	1.5
105.07022	0.8
107.04946	1.6
108.04486	2.9
108.08122	0.8
109.06485	0.5
110.06059	1.9
115.05460	0.3
117.06995	0.5
119.08633	0.3
122.06023	2.4
123.06818	20.8
125.10775	1.7
128.06235	0.8
129.07013	1.0
131.08571	0.4
136.07568	1.6
141.06947	0.8
141.07858	3.0
143.07419	0.5
143.08575	2.2
146.09648	0.7
152.14749	0.3
154.07739	0.3
158.09677	1.5
168.08028	0.3
169.10114	1.8
171.11732	0.4
176.10794	0.3
185.09656	0.3
186.09131	5.3
186.12788	1.1
187.11269	0.9
197.09593	1.0
204.13870	3.2
209.91090	0.3
214.12276	56.8
215.12694	1.6
232.13339	54.6
233.08115	0.3
233.13641	1.3
249.12697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.11699	0.3
55.05503	0.7
70.06573	0.4
71.26070	0.5
74.84361	0.3
75.37016	0.2
79.05497	0.8
81.07058	1.1
83.08607	0.5
87.21275	0.3
91.05486	0.4
94.06597	0.4
98.09715	0.4
103.91936	0.2
105.07021	0.4
107.04957	100.0
108.05297	0.8
108.08110	0.7
109.06523	0.9
110.06094	0.3
115.17795	0.3
124.07607	0.9
125.08345	0.3
126.09156	31.2
129.00899	0.3
131.08528	0.3
133.10144	0.4
137.09616	0.7
232.13342	13.6
232.16725	1.3
233.13564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0446
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
55.05518	0.6
56.33547	0.3
56.53749	0.3
63.84275	0.3
65.03949	0.3
67.05508	5.8
69.07063	0.8
70.31566	1.1
78.04704	2.0
79.05476	1.5
81.07058	5.1
83.08636	0.6
84.08144	0.4
85.10135	0.3
91.05471	0.8
93.07057	1.6
95.01349	0.3
95.08611	4.9
98.21445	0.4
101.67117	0.3
103.05441	0.5
105.03416	0.3
105.07023	0.7
106.04184	2.7
107.08585	1.1
109.10153	2.2
111.20451	0.3
116.02592	0.5
117.62242	0.3
121.06458	0.3
121.10149	1.5
123.11720	0.8
131.04929	0.5
134.02643	0.6
134.03647	9.0
135.11719	1.4
135.86363	0.2
137.13298	0.6
139.00230	0.6
144.01942	0.3
144.85387	0.3
147.04387	1.2
148.01526	0.3
149.13268	0.5
151.14803	0.3
159.04453	0.4
161.02361	1.1
162.03131	12.6
172.01614	1.3
173.02367	4.2
177.05457	1.5
187.03868	0.3
189.05536	0.4
190.02617	5.5
200.01102	0.5
204.00601	0.6
205.05043	0.4
217.01476	0.4
218.02116	100.0
219.02460	2.2
233.04460	89.8
233.19049	2.4
233.22627	4.1
234.04803	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	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03936	6.0
55.01873	12.6
55.05504	12.1
57.03422	2.5
57.07071	4.2
58.96966	1.4
65.03924	3.5
67.05505	15.9
67.85859	1.5
68.73692	1.6
69.03441	13.7
69.07066	9.1
71.04971	6.5
71.41516	1.9
71.48268	3.1
79.05493	24.6
81.03389	2.9
81.07058	18.2
83.04982	16.6
83.08601	2.4
84.08145	35.2
85.06536	4.8
85.59978	1.8
86.09681	4.5
91.04922	1.8
91.05481	29.7
93.07043	34.5
95.04972	22.2
95.08611	18.1
97.06497	7.2
98.09697	12.2
99.04436	4.8
101.60607	1.6
103.05457	4.1
105.07034	60.0
107.04952	77.6
107.08599	24.0
108.05283	31.6
109.06515	9.9
109.10160	9.7
111.08028	2.2
112.11221	1.8
115.05439	7.3
116.06231	2.7
117.07024	21.1
118.02160	1.6
119.04922	4.9
119.08599	19.4
120.08069	3.6
121.02896	2.5
121.06506	42.0
121.10152	23.5
122.07296	8.7
123.08035	3.9
123.11732	1.9
126.09169	9.8
127.07568	1.8
127.09498	7.3
127.12290	3.6
128.06203	7.4
129.07024	9.3
130.07796	11.2
131.04906	3.5
131.08571	48.0
133.06468	9.8
133.10127	19.9
135.04419	2.7
135.08064	12.4
135.11682	3.7
137.09619	38.9
141.06996	8.8
142.07782	3.2
143.08543	14.1
144.05647	3.6
144.09346	5.9
145.06494	19.4
145.10118	82.3
146.07198	3.1
146.10858	2.1
147.04335	2.4
147.08000	6.5
147.11676	14.2
149.05901	3.1
149.09615	41.4
149.13257	4.7
151.11154	5.1
153.09073	3.7
154.07748	9.4
155.05984	2.3
155.08548	12.1
156.09206	3.4
157.06425	3.4
157.10097	5.7
158.06088	2.5
158.07281	17.1
158.10898	2.7
159.06837	2.8
159.08055	26.8
159.11690	27.2
160.08865	8.2
161.06015	2.9
161.09587	4.2
161.13174	3.7
163.07544	5.2
163.11238	4.3
163.14722	2.2
169.06381	2.0
169.10150	12.7
171.08041	3.3
171.11661	5.1
172.08789	7.6
172.12546	1.9
173.06009	4.2
173.09622	100.0
173.13214	17.3
174.10266	1.8
175.11162	5.4
177.09073	6.4
177.12788	2.0
179.08563	6.0
182.07253	4.8
186.06660	2.1
187.07510	6.5
187.11186	56.1
187.14729	11.5
188.11484	2.2
189.09050	3.1
189.12720	7.0
191.03305	2.0
191.10608	4.5
191.14371	8.0
197.09631	14.8
197.13168	2.7
205.08624	4.8
205.12180	6.2
205.15904	3.6
213.07628	1.9
215.07098	3.2
215.10670	42.1
215.14171	14.0
215.17935	6.2
233.04503	4.1
233.08124	13.4
233.11693	72.0
233.15312	59.9
233.18719	13.5
234.15698	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.26945	1.1
53.03936	3.7
55.01871	6.5
55.05513	6.8
57.03426	4.1
57.07058	1.5
59.04984	1.5
65.03937	2.2
67.05509	10.7
69.03434	11.8
69.07046	4.5
70.06593	1.2
71.05006	5.1
77.03915	1.0
79.05077	1.6
79.05497	18.3
81.03389	3.6
81.07061	11.8
83.04993	5.4
83.08611	1.5
84.08152	9.8
85.02890	2.3
85.06525	2.5
91.05482	25.2
93.07057	17.2
95.04961	10.3
95.08627	7.6
97.06541	3.2
98.09679	3.5
99.02041	1.0
99.04456	6.9
103.05470	5.6
105.07039	44.8
107.04960	21.9
107.08596	10.6
109.06512	7.2
109.10139	3.7
111.04468	1.8
111.08071	1.4
115.05449	7.1
116.06217	4.0
117.07027	20.6
119.04960	11.0
119.08590	18.1
121.02873	1.1
121.06511	21.8
121.10154	6.7
123.04439	1.2
123.08073	1.5
123.11713	1.5
125.06006	1.3
127.12363	1.3
128.06215	5.8
129.07018	16.2
130.07791	9.3
131.04935	9.7
131.08580	31.7
132.05690	1.8
133.06500	10.1
133.10109	11.3
135.04420	2.6
135.08040	4.3
135.11710	2.3
136.07655	1.3
137.02315	1.7
137.05969	3.3
137.09619	1.6
141.06999	8.5
142.07787	1.6
143.08571	11.2
144.05760	5.3
144.09355	7.8
145.05435	1.6
145.06503	20.9
145.10133	64.9
146.07242	3.6
147.04359	1.9
147.08057	6.5
147.11696	4.8
149.05974	9.1
149.09576	3.4
149.13240	1.4
153.06979	3.2
154.07779	6.5
155.06036	2.3
155.08577	9.4
156.05646	1.5
156.09280	1.7
157.06468	3.7
157.10121	4.7
158.07289	18.5
159.04408	1.8
159.08075	28.6
159.11702	34.2
160.08838	11.9
161.06035	2.4
161.09630	4.9
161.13292	2.3
163.07520	2.8
163.11203	2.9
167.08536	1.9
169.06438	2.0
169.10146	15.1
171.08073	3.2
171.11674	2.5
172.05165	2.9
172.08847	8.5
173.09639	90.3
173.13132	5.2
174.06764	7.7
174.10260	2.5
175.07486	1.7
175.11203	2.1
177.09094	3.2
178.07765	1.6
179.08569	4.4
182.07271	3.2
187.07637	14.4
187.11194	65.2
187.14777	3.9
188.08339	1.4
188.11504	2.1
189.09109	3.3
189.12772	2.8
191.10669	6.6
191.14294	2.9
197.09619	10.9
197.13187	1.9
201.05553	1.2
205.08565	5.8
205.12231	5.0
215.07271	8.6
215.10681	51.0
215.14301	3.9
215.17957	3.4
233.04375	2.3
233.08105	37.8
233.11725	100.0
233.15205	20.9
233.18956	8.6
233.23042	6.9
234.12119	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03937	3.2
55.01859	7.7
55.05502	4.7
63.47099	1.9
67.05499	12.4
67.36369	1.8
69.03444	17.1
69.07050	2.8
71.04989	3.6
79.05489	14.0
81.07060	10.8
84.08138	7.9
87.63637	2.4
91.05489	20.8
93.07040	13.3
95.04973	13.9
95.08579	6.8
97.06494	3.7
98.09688	4.8
99.04432	6.3
103.05453	5.4
105.07040	50.7
106.70354	1.9
107.04971	10.9
107.08573	6.0
109.06496	5.9
109.10149	4.5
115.05420	6.9
117.07030	22.0
119.04929	7.8
119.07744	2.4
119.08565	16.1
121.06537	13.8
128.06177	5.3
129.07028	12.2
130.07797	12.3
131.04906	9.1
131.07631	2.4
131.08582	37.9
133.06517	9.9
133.10135	18.5
135.08041	2.5
135.11633	2.8
141.06966	5.4
142.07813	3.5
143.08568	12.5
144.05696	3.4
144.09373	12.0
145.06491	16.7
145.10133	98.0
147.08051	3.2
147.11638	2.3
149.06032	3.2
154.07768	10.6
155.06079	3.4
155.08492	8.7
157.10153	4.9
158.07286	16.4
159.08084	23.7
159.11702	55.1
160.08832	4.0
161.09612	4.4
161.13315	2.5
163.07410	2.3
169.10123	21.2
172.05182	3.0
172.08820	7.4
173.09633	99.6
177.09129	3.4
179.08440	2.8
182.07237	3.8
187.07602	3.9
187.11200	100.0
189.12752	3.6
191.10716	9.7
197.09573	6.2
203.08546	2.4
205.10280	4.5
205.12184	8.8
215.06860	2.2
215.08577	11.8
215.10651	67.3
215.14108	2.9
233.07797	4.1
233.09607	10.4
233.11681	80.9
233.15050	11.0
233.18939	7.9
233.20982	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03936	3.6
53.05649	1.4
55.01858	7.3
55.05498	6.3
57.07054	4.4
60.04518	1.6
65.03922	2.7
67.05505	10.6
68.71210	1.5
69.03440	8.2
69.07056	3.5
69.98425	7.8
71.04986	6.8
75.56900	1.5
79.05495	20.9
81.03410	4.6
81.07063	14.7
83.04984	27.0
84.08117	7.4
85.02908	2.4
85.06519	3.7
91.05481	28.0
93.06563	1.9
93.07046	19.5
94.04209	1.7
95.04976	11.3
95.08609	10.7
97.02928	2.1
97.06523	4.1
98.09682	4.2
98.51883	1.6
99.04452	4.7
103.05450	6.6
105.07030	55.2
107.04955	28.0
107.08607	11.7
108.05282	5.3
109.06524	42.7
109.10120	3.7
111.04468	1.8
115.05451	7.1
116.06210	3.0
117.07018	28.3
119.04967	9.5
119.08575	15.5
121.02875	1.8
121.06493	22.2
121.10131	5.3
123.04401	4.1
123.08072	3.1
125.05988	5.2
126.09107	1.6
127.09491	2.1
128.06166	6.3
129.07025	10.0
130.07793	10.8
130.08607	2.1
131.04942	13.2
131.08566	30.6
133.06506	11.8
133.10143	8.4
135.04344	2.5
135.08055	9.2
135.11668	2.2
137.05936	1.7
141.06987	6.2
142.07729	2.8
143.08577	10.3
144.05714	5.5
144.09364	7.7
145.06458	18.5
145.10132	70.7
146.05963	6.2
147.08023	3.7
147.11731	2.8
149.05939	2.9
149.09627	3.5
149.13321	2.7
151.07542	4.0
153.06956	3.3
154.07742	6.4
155.08559	13.9
156.10248	2.3
157.06519	2.9
157.10223	4.0
158.07298	17.6
159.04459	1.9
159.08090	20.1
159.11690	32.0
160.07547	2.2
160.08788	4.1
161.06038	2.7
161.09563	4.6
163.07448	2.3
163.11160	5.9
169.06396	2.3
169.10129	17.0
170.06017	3.8
171.08086	2.0
171.11729	2.7
172.08812	9.2
173.09633	100.0
173.13243	6.4
174.05473	3.8
174.06828	2.4
174.10042	2.0
175.03928	2.4
175.07562	2.0
177.05518	1.9
177.09053	3.9
179.08536	3.2
182.07198	2.6
187.07478	3.4
187.11197	67.5
187.14816	2.1
189.09033	3.5
191.03403	2.4
191.06877	1.8
191.10649	17.8
197.09654	11.7
201.09125	1.7
205.08536	4.7
205.12257	6.4
215.07312	2.6
215.10683	40.1
215.14099	2.9
215.17972	3.8
233.08063	9.7
233.11708	73.8
233.15208	12.2
233.18944	11.0
238.49712	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28789	0.5
55.01867	1.2
55.05508	1.7
56.05037	3.7
56.96567	51.0
57.03435	3.0
58.06602	0.6
58.99847	0.6
59.96179	0.6
60.04532	0.9
60.95855	2.8
61.02927	3.7
67.05501	1.1
69.03430	4.1
69.07073	2.4
69.13916	0.8
69.14312	5.2
70.02956	0.6
70.06595	5.7
70.98125	5.1
71.04976	1.3
71.06926	0.9
71.95261	2.2
72.08147	4.5
72.96043	1.4
72.99596	0.6
73.02940	3.2
74.06082	9.9
74.97620	0.9
81.03422	2.2
82.78004	0.6
82.99824	1.3
83.04978	0.7
84.04513	1.4
84.08147	38.0
84.96037	4.4
84.99612	0.6
85.02904	6.8
86.09708	100.0
87.04485	0.8
87.10046	2.2
88.99155	2.1
89.00790	0.6
95.01280	0.8
97.02898	7.4
98.09703	14.8
98.97585	45.9
99.04453	1.2
100.97225	1.0
100.98098	0.8
100.99148	11.8
100.99774	0.9
101.00883	10.5
101.95036	5.0
101.97227	2.2
102.00991	1.3
102.05556	1.4
102.96867	4.6
103.00620	2.6
103.02433	1.2
104.01306	0.5
107.04959	14.3
109.02884	1.2
110.07192	1.7
110.97574	8.2
112.07633	0.8
112.08698	0.7
112.11261	3.6
112.99148	2.8
113.00874	2.3
113.22663	0.6
114.14058	0.5
115.00687	1.8
115.02430	3.6
116.07138	0.6
116.98626	17.6
117.02225	0.6
117.03989	1.3
119.00174	2.0
119.01923	13.6
119.96078	1.4
119.98301	0.6
120.02023	2.3
120.06583	6.1
120.97932	2.2
121.01671	4.3
126.97078	2.6
127.00706	4.7
127.02466	0.7
127.03894	3.2
128.02283	0.9
128.98608	9.3
129.03954	0.7
129.10286	0.9
130.05043	1.1
131.00171	3.6
131.01875	3.1
132.01955	0.6
132.03455	1.2
132.10236	1.7
133.01697	2.0
133.03485	6.5
134.99664	3.9
136.06204	1.1
137.02931	1.6
140.98593	1.0
143.00195	5.7
143.01889	9.1
144.98091	4.4
145.01701	9.1
145.03419	3.2
145.04939	0.7
146.04941	0.7
146.08150	0.7
146.99640	6.0
147.03246	0.8
147.05020	0.8
148.03967	0.7
149.01212	1.1
150.97052	0.7
151.04559	1.5
151.66597	0.6
152.05011	2.0
153.05791	2.3
154.03816	0.7
154.96507	1.3
155.01906	1.8
157.03473	1.3
158.04927	0.7
158.99731	3.0
159.01273	0.6
159.03252	1.2
159.05075	0.9
161.01248	4.1
161.03000	10.0
161.04745	3.1
161.06628	3.8
162.06361	0.7
162.99191	2.5
163.02737	5.8
163.04651	0.7
165.00703	7.3
167.02054	0.7
168.98181	0.7
170.05083	2.8
170.99713	0.9
171.05055	0.9
172.97606	5.7
173.01265	3.9
173.02997	5.0
173.04480	1.0
175.02638	1.0
175.04590	1.6
177.00734	1.8
177.04402	1.2
179.07722	0.7
181.03754	0.7
183.01846	1.3
185.03000	1.3
186.99173	1.3
187.00858	1.0
187.02728	1.3
187.09883	2.6
187.14456	1.2
188.09557	0.7
189.00713	10.0
189.02367	1.3
189.04384	2.3
190.98640	12.4
191.02295	3.9
191.04059	8.1
191.05820	1.3
192.03748	1.1
197.03119	1.0
201.00719	0.9
203.02333	0.9
203.04082	0.7
205.00201	0.7
205.10950	1.0
207.01793	10.0
207.05180	0.7
208.99718	9.7
209.03372	1.9
209.06831	0.7
210.04616	3.0
211.04648	0.7
213.03526	0.7
213.06104	0.7
215.07663	0.9
215.09317	3.2
215.13985	2.2
217.15527	0.7
218.98210	1.1
219.01787	1.5
221.03252	0.8
224.08221	0.7
227.00703	0.6
228.07533	1.0
232.96487	1.5
232.99704	1.8
233.05205	3.2
233.06990	0.9
233.10532	7.6
233.14781	2.7
233.16838	1.1
234.10220	0.9
234.14714	0.7
234.18225	1.2
237.03006	0.8
243.07336	0.6
245.44356	0.5
251.02473	1.8
251.05156	0.9
252.07596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03936	2.6
55.05280	1.3
55.05516	12.6
57.07061	3.9
60.47692	1.2
65.03939	3.3
67.05510	53.0
67.67831	1.2
69.03438	1.9
69.07072	12.1
69.61806	7.4
71.08636	1.7
77.94334	1.3
79.05069	1.9
79.05498	24.0
80.36295	1.4
81.07063	70.5
83.08611	5.3
84.08151	7.5
86.13083	1.2
91.05482	21.5
93.06489	2.4
93.07049	33.7
95.04961	3.7
95.08616	65.9
97.06531	2.3
97.10158	3.6
98.09682	5.1
98.21497	2.4
103.05483	1.7
105.07034	41.8
107.04960	7.7
107.08611	24.2
109.06464	2.6
109.10166	25.5
114.55336	1.4
115.05464	1.5
115.28233	1.3
117.07008	11.1
119.07808	1.9
119.08588	21.7
121.06508	5.4
121.10152	18.4
123.11744	8.7
125.05995	2.8
129.06966	3.0
130.07773	2.8
131.08578	40.0
133.06442	2.0
133.10147	12.6
135.04448	1.7
135.08038	1.5
135.11708	12.6
137.05981	3.0
137.13251	5.2
139.07539	3.0
143.08580	4.2
145.06458	2.1
145.10132	39.2
147.08009	3.0
147.11713	10.3
149.05945	1.8
149.09608	3.2
149.13268	5.8
151.07541	2.5
151.14822	2.8
155.08578	4.0
156.09346	1.3
157.10104	3.1
159.08034	5.5
159.11691	19.2
161.09615	2.2
161.13274	13.5
163.07567	4.2
163.11256	1.6
163.14824	2.6
167.08566	2.3
169.10144	3.3
171.11673	1.9
172.12445	2.3
173.09605	5.5
173.13231	3.5
177.05551	2.2
177.09111	8.9
178.06284	2.9
179.69263	1.4
182.10883	2.6
187.11197	4.7
187.14835	100.0
191.10585	1.6
191.14262	2.7
197.13223	7.6
205.15880	2.7
215.14349	28.7
215.17677	2.0
218.02141	3.7
233.04495	5.5
233.07994	2.1
233.11830	7.3
233.15373	56.8
233.18982	23.5
233.22650	40.0
234.15601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03933	3.8
55.01866	3.5
55.05494	5.2
57.03422	2.3
57.07063	7.8
57.30368	1.6
59.04990	2.6
67.05506	16.2
68.84142	1.6
69.03432	14.7
69.07066	2.9
69.65664	10.5
71.04972	4.0
79.05491	15.4
81.07059	12.7
83.04992	13.5
83.08631	1.9
84.08147	11.6
85.06541	13.6
91.05479	25.6
93.07041	25.4
95.04976	14.7
95.08625	10.5
97.02872	2.6
97.06510	6.1
98.09677	7.2
99.40373	1.7
103.05476	1.9
105.07041	30.2
107.04968	17.8
107.08595	35.2
109.06522	7.0
109.10134	8.6
111.08081	9.0
113.06006	7.4
115.05418	2.2
116.06232	4.2
117.07003	11.1
119.04951	2.2
119.08573	19.6
121.06517	12.4
121.10147	39.4
122.07266	5.6
123.08064	5.2
125.09624	4.3
127.07557	5.2
128.06172	2.6
129.06966	6.1
130.07780	5.2
130.36282	1.8
131.08568	41.0
133.06520	3.7
133.10139	16.9
135.08055	8.2
135.11720	4.4
137.09624	37.3
139.07549	3.2
141.07008	2.9
143.08528	5.3
145.06461	5.1
145.10130	64.6
146.10858	5.4
147.08023	7.7
147.11679	7.4
149.09622	64.0
149.13150	2.7
151.11198	5.7
153.09113	9.5
156.09306	3.0
157.10135	5.0
158.10907	4.6
159.08047	6.5
159.11688	4.9
163.07516	2.8
163.11189	6.3
171.11716	4.8
172.12512	2.2
173.09633	5.0
173.13254	22.3
175.07506	2.9
175.11188	6.4
177.09114	7.3
187.07494	2.7
187.14781	10.7
189.12794	3.7
191.14262	9.1
197.13246	2.0
200.11952	2.1
205.12201	2.8
205.15919	5.4
215.14339	12.0
215.17923	3.6
233.08029	4.2
233.15367	100.0
233.19006	7.1
235.63704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.165
Annotation	(S)-2',6'-Pipecoloxylidide
Peak:m/z	Relative Intensity
56.05047	2.5
56.05254	0.4
56.96575	0.5
58.06592	1.2
59.61341	0.4
69.93495	2.1
74.06084	11.7
79.05487	0.6
82.06590	0.8
84.08144	73.4
86.09705	2.8
86.35282	0.4
96.08135	1.1
97.07723	0.4
98.09692	14.7
98.21466	0.6
107.04956	100.0
108.05297	0.6
112.11269	1.2
125.10751	3.0
125.77344	0.4
127.12325	12.3
132.10184	2.3
176.10724	1.2
187.14359	1.0
233.16504	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65846	0.5
55.01873	2.1
55.05507	1.6
56.05036	4.5
56.96566	68.0
57.01704	0.8
57.03439	4.1
58.06593	2.0
58.99856	1.0
59.04998	0.6
60.04529	1.0
61.01146	1.8
61.02927	9.0
67.05487	1.1
69.03434	5.0
69.07062	2.5
70.06591	1.8
70.98105	1.7
70.99855	1.7
71.04993	1.2
71.06913	0.6
71.28063	0.6
71.30126	0.6
71.33811	1.0
71.95258	1.7
72.08158	11.0
72.73074	0.6
72.96040	1.2
73.02918	5.9
74.06087	12.6
74.97598	1.4
79.05492	1.3
81.03400	1.5
81.59380	0.6
82.06586	0.9
82.99828	6.0
83.00806	0.9
83.04935	0.8
84.04497	1.9
84.08145	79.4
84.96043	7.2
85.01406	2.8
85.02908	8.7
85.06564	1.0
85.08466	0.7
86.09707	51.7
87.04450	1.2
88.03944	0.8
88.99149	0.7
89.00869	1.3
94.06555	0.6
94.94097	0.6
95.04992	1.0
97.01405	1.0
97.02898	6.2
98.09157	0.5
98.09693	15.2
98.97584	52.8
99.04481	1.5
99.97930	0.8
100.02445	0.8
100.99143	16.9
100.99781	1.3
101.00882	30.7
102.00967	1.2
102.05583	1.0
102.97053	0.6
103.00642	9.9
103.01310	1.0
103.02450	4.1
104.05343	1.5
105.00368	0.7
106.98242	0.7
107.04956	100.0
108.05264	1.0
109.02902	0.7
110.01312	2.6
110.07182	0.8
110.97574	14.7
111.02952	1.0
112.07616	4.9
112.11255	1.1
112.99148	2.8
113.00861	3.2
113.02374	2.1
115.00640	4.1
115.02420	5.3
115.03938	0.7
116.98627	22.3
117.02191	1.0
117.04046	0.8
118.08661	1.3
119.00203	4.5
119.01913	34.7
120.02045	1.9
120.06581	2.6
121.01667	17.1
121.02438	1.6
121.03462	1.0
123.04478	0.7
124.95490	1.0
124.99155	1.2
125.10762	3.3
126.97060	5.0
127.00695	5.3
127.02421	3.3
127.03889	3.7
127.12318	12.3
128.02327	3.5
128.98610	12.9
129.02136	0.8
129.03993	1.3
130.08659	2.2
131.00238	3.0
131.01888	8.7
132.03445	0.8
132.10184	3.0
133.01703	9.5
133.02559	1.4
133.03471	21.3
133.99731	0.8
134.99651	4.0
135.03226	2.4
137.02913	3.7
139.01584	1.0
139.02612	3.0
140.02368	0.8
140.05038	1.3
141.02142	0.6
143.00235	6.2
143.01897	40.5
144.02042	1.7
144.98096	8.7
144.99881	0.8
145.01714	12.9
145.03490	9.7
145.04855	0.9
146.08109	0.8
146.99631	10.1
147.01392	0.8
147.03189	2.0
147.05054	2.7
148.02051	0.8
149.01192	1.6
149.02896	1.2
151.02711	2.0
151.04544	4.5
152.05060	3.3
153.01294	0.9
153.05792	1.8
154.96506	1.4
154.98273	1.1
155.00122	0.8
155.01907	2.4
157.01614	1.2
157.03468	5.2
158.99673	3.8
159.01294	1.0
159.03242	2.4
159.05055	2.5
160.04723	1.2
160.07928	2.9
160.54849	0.7
161.01279	4.5
161.02960	41.7
161.04718	3.7
161.55695	0.9
162.01833	0.9
162.03152	0.9
162.99174	5.2
163.02797	8.5
163.04550	1.6
165.00691	9.8
165.06181	1.2
167.00262	0.7
167.02022	0.9
168.02022	0.6
168.03474	1.6
168.98103	1.1
168.99719	0.6
170.95987	0.7
170.99681	1.9
171.05058	1.5
172.97606	6.0
173.01288	3.1
173.03001	10.7
174.01840	0.9
174.99237	1.0
175.02754	4.5
175.04395	3.5
176.10687	1.7
177.00711	3.2
177.02446	2.3
179.02245	1.3
183.02039	2.9
184.04636	1.1
184.97569	0.9
185.02983	1.9
185.06589	1.0
186.99152	2.5
187.00911	3.0
187.02754	3.9
187.04593	3.1
187.06364	1.2
187.14444	1.7
189.00742	12.7
189.02385	0.9
189.04344	1.7
189.06099	1.4
190.98656	14.4
191.02296	6.0
191.04045	12.4
192.02858	1.3
193.00281	1.0
193.03851	1.7
197.03079	1.7
201.00938	3.3
201.02493	2.9
201.04176	0.7
203.02266	1.2
203.04054	1.8
204.02882	1.8
205.00212	0.9
205.02022	0.8
205.03763	1.1
205.05595	1.2
207.01765	13.0
208.99710	19.2
209.03229	3.7
210.02525	1.1
210.04372	2.8
213.03360	3.1
214.05792	0.7
215.03957	3.1
215.13980	1.1
219.01807	4.0
219.03607	1.5
220.99670	0.7
221.03268	1.2
221.05246	1.2
227.00719	1.0
227.04294	0.8
232.99635	0.9
233.03252	3.3
233.05098	10.2
233.08255	0.9
233.16539	30.4
237.02913	2.6
251.04443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2263
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03950	1.5
55.05270	1.2
55.05515	15.1
57.07077	2.4
57.75839	0.6
65.03941	2.4
67.05507	97.4
69.07071	12.0
71.48244	1.0
79.05499	21.4
81.07059	100.0
83.08620	7.6
84.08157	0.7
84.87267	0.7
91.05479	5.3
93.07044	26.5
95.04960	0.8
95.08611	86.4
97.10169	4.1
105.07017	2.6
107.04943	0.8
107.08600	14.5
109.10162	40.1
111.11727	1.6
117.07008	1.0
118.10051	0.8
119.08595	1.0
121.10149	27.1
123.11717	16.3
131.08549	1.7
133.10155	1.1
135.08058	1.0
135.10703	1.3
135.11697	20.2
137.13272	9.2
149.09575	1.7
149.13240	10.2
151.14861	5.3
159.11586	0.9
163.14861	4.5
177.16371	2.1
191.17932	1.9
233.15207	2.2
233.18932	35.5
233.22574	71.8
240.13623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81723	1.6
56.96568	28.9
69.71883	5.9
69.72291	3.8
70.39393	2.0
71.93539	1.9
71.95267	2.0
72.08171	15.3
73.08483	1.9
74.97611	3.4
83.59117	1.8
84.16534	1.9
86.97590	5.7
98.97586	100.0
101.00880	2.1
102.07901	2.0
114.97046	13.8
116.98624	38.3
119.01931	2.4
120.97500	2.3
128.73268	1.7
128.98589	3.5
132.98111	17.4
134.99622	11.1
136.94014	15.4
146.08122	9.4
150.99196	10.7
158.99600	4.2
174.99139	19.0
177.00676	3.9
178.16002	1.9
193.00214	31.5
207.00041	1.8
211.01314	3.0
213.58586	1.9
217.15500	2.7
218.15749	1.8
234.18092	4.2
235.18457	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	235.0966
Annotation	Swerilactone M
Peak:m/z	Relative Intensity
53.03949	2.1
55.01866	3.5
55.05512	4.5
57.03438	1.7
57.06845	1.1
57.07082	14.5
67.05495	6.9
69.03415	3.0
69.07062	4.1
71.01356	1.2
71.04993	2.2
73.02902	2.9
74.86898	1.1
79.05495	13.0
79.70870	0.9
81.03410	1.8
81.07061	18.7
83.04973	3.2
83.08606	1.1
85.02897	3.7
85.06542	2.7
91.05487	14.9
93.07050	16.0
95.04996	7.6
95.08620	7.5
95.73621	0.9
97.06529	4.0
98.21564	1.6
98.97539	1.3
99.04465	1.8
103.05472	2.7
105.07042	16.8
107.04949	10.8
107.08605	8.9
109.06522	10.8
109.10136	4.1
111.04405	1.4
112.51803	1.1
115.05472	5.0
117.07028	9.1
119.04950	1.8
119.08592	13.2
121.06529	22.9
121.10147	4.5
123.04420	2.2
123.08090	2.0
123.11693	1.5
125.06011	1.5
126.29536	1.0
127.07540	1.8
128.06247	6.9
129.07008	8.0
131.04929	8.9
131.07878	0.8
131.08611	8.2
133.06497	18.0
133.10126	6.6
135.04399	2.1
135.08083	3.4
135.11671	2.7
137.05952	3.0
137.09621	2.4
139.07600	1.0
141.06976	3.9
142.07787	2.3
143.08572	10.0
144.05708	3.2
145.06496	27.0
145.10098	3.0
146.07304	1.5
147.04387	2.9
147.08057	53.2
147.09236	2.6
147.11703	7.7
149.09665	2.2
149.13281	1.4
152.06177	1.1
153.06979	4.2
155.06068	2.4
156.09306	2.4
157.06500	9.4
157.10120	5.7
158.07286	1.1
159.04439	1.3
159.08069	40.8
160.05225	1.3
161.05998	4.9
161.09634	12.2
161.13278	2.4
163.07565	3.9
169.06439	2.3
169.07666	1.3
169.15462	1.1
171.08057	17.2
171.11728	5.8
173.05994	25.1
173.13333	1.1
175.07559	100.0
175.11073	9.0
175.14804	2.1
179.10704	8.5
181.06456	3.3
181.10088	1.2
187.07603	2.7
189.09125	6.6
189.12753	8.4
189.16374	1.3
191.07025	2.2
191.10661	1.0
199.07559	9.9
199.11209	7.8
207.08153	2.3
217.08617	92.7
217.11909	12.4
217.15863	3.5
218.08778	1.3
235.07590	1.6
235.09589	14.9
235.13310	11.4
235.16934	37.2
235.20651	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03926	3.0
54.12597	1.0
55.01857	4.0
55.05512	8.5
57.03422	2.7
57.07076	19.0
59.05013	1.0
65.03930	1.2
67.05505	34.2
67.47958	0.9
69.03431	100.0
69.07060	7.5
69.73284	6.3
71.04984	3.2
71.08582	1.1
77.03887	1.8
79.05492	31.3
81.03378	1.8
81.07053	39.6
83.04966	2.6
83.08611	5.1
85.06532	2.7
91.05481	35.6
93.07046	49.6
95.04979	6.4
95.08607	27.8
97.06541	8.2
97.10149	2.5
97.99791	1.1
99.08078	1.8
105.04521	1.5
105.07033	16.8
107.04966	1.1
107.07890	1.5
107.08598	22.4
109.06532	5.8
109.10160	10.2
111.04419	1.3
111.08071	2.3
117.07025	2.7
119.08571	10.9
121.06483	3.0
121.10149	20.0
123.04395	1.5
123.08062	11.7
123.11715	3.7
125.09673	1.2
129.06970	1.9
131.08568	4.6
133.09120	1.7
133.10130	27.7
135.08078	2.2
135.11688	7.3
137.09612	3.2
137.13217	1.8
143.08563	2.7
145.10107	2.3
147.08017	1.7
147.11682	7.5
149.09634	2.1
149.13228	2.5
151.11162	4.2
157.10114	4.4
161.09663	1.3
161.13254	2.8
171.11697	1.9
173.13210	1.4
175.07454	1.5
175.11122	1.6
175.14827	4.2
179.07025	1.0
179.10680	14.6
189.12738	2.1
189.16386	3.9
193.10103	1.2
193.12267	2.4
199.14841	4.7
207.17413	2.1
217.12524	1.3
217.15923	4.5
217.19482	3.6
234.33524	0.9
235.07764	1.3
235.13477	6.0
235.16922	77.1
235.20393	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03953	2.1
55.01855	2.0
55.05516	13.5
57.03443	3.0
57.07080	45.6
58.97758	1.2
65.03934	2.2
67.05508	84.6
69.03436	1.6
69.07068	14.6
71.04994	3.4
71.08643	6.6
71.48126	1.3
79.05495	29.3
81.07061	100.0
81.34016	1.3
83.04965	3.0
83.08607	9.9
85.06542	13.5
85.10184	3.6
90.04381	1.1
91.05484	27.0
93.07050	32.0
95.04992	4.4
95.08612	84.7
97.06546	9.5
97.10188	2.8
99.08087	12.4
99.98731	1.3
104.07088	1.4
105.07040	17.2
107.05007	1.4
107.08602	17.3
109.06517	3.6
109.10165	27.1
111.08077	7.3
113.09649	6.6
117.07012	2.2
119.05035	1.2
119.08591	20.3
121.06503	1.7
121.10152	23.0
123.04438	2.8
123.08079	5.3
123.11716	22.2
125.09629	2.7
127.11221	2.8
131.08546	2.4
133.10139	28.5
135.08069	1.7
135.11696	20.6
137.09636	4.3
137.13263	21.9
139.11214	3.3
145.10126	2.2
147.08064	1.2
147.11693	14.9
149.09657	1.4
149.13245	7.4
151.03944	1.4
151.11205	3.8
151.14833	7.2
153.12738	3.2
157.10229	1.2
159.11729	2.2
161.05960	1.2
161.09642	1.7
161.13249	12.6
163.14908	2.0
165.12865	1.4
166.68159	1.2
175.14857	6.4
177.16350	1.7
179.08530	1.2
179.08998	1.5
179.10680	21.0
189.16438	5.3
191.18018	2.1
191.76700	1.1
207.08211	1.7
217.12270	1.2
217.16092	2.5
217.19521	47.1
225.29544	1.4
235.05751	1.7
235.07780	1.9
235.13194	3.0
235.15080	1.5
235.16959	68.5
235.20593	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27269	1.0
53.03942	3.0
53.41925	1.1
55.01860	2.0
55.05517	5.6
56.05030	3.9
56.96569	30.3
57.03427	4.1
57.07073	2.7
60.04516	4.3
61.02948	4.5
62.36458	0.8
67.05486	2.5
68.05012	1.2
69.03436	12.0
69.07054	2.7
70.02971	1.2
70.06599	48.8
70.71008	1.4
70.71352	1.9
70.98115	1.3
71.04986	1.0
71.06924	1.3
71.95268	1.2
72.08167	4.4
73.02927	7.3
73.06545	2.0
74.00654	1.7
74.06058	1.9
79.05505	2.4
79.09883	0.9
80.77158	0.9
81.03436	5.2
81.12529	0.8
82.06590	1.2
84.04502	4.1
84.08150	94.0
84.96021	3.7
85.02435	1.4
85.02909	15.3
85.06554	1.3
85.08497	1.3
86.06055	4.1
86.09712	68.8
87.04475	2.4
87.05582	1.1
87.10049	2.0
88.03976	1.4
91.05469	2.1
94.06561	1.5
95.04973	1.8
97.02901	14.3
98.03208	0.9
98.97595	29.6
99.04430	1.9
101.00886	2.0
101.10780	3.6
102.03805	1.5
102.53110	3.0
103.05486	0.9
105.04523	1.2
107.04963	100.0
108.05285	9.4
109.02869	2.4
110.01292	1.6
110.07144	4.7
110.97575	8.5
111.09179	1.0
111.97892	1.7
112.07608	8.0
112.99150	1.3
115.08762	1.2
116.07101	30.9
116.98631	11.1
117.07423	0.8
118.03275	1.6
119.01868	5.3
119.28182	1.2
120.01172	7.1
120.08096	5.5
121.08401	2.0
123.04436	1.6
124.99150	2.1
125.03564	1.4
127.03897	3.7
127.08701	1.3
128.02338	1.4
128.97868	0.8
128.98634	7.1
129.10249	28.7
130.08659	6.0
130.09563	0.8
130.93312	5.7
131.00168	2.5
131.01883	3.0
133.06213	0.9
134.99651	3.2
135.53654	1.2
136.07588	1.1
139.08670	2.2
141.10228	3.5
143.00162	4.2
143.01866	1.4
144.54179	1.9
144.98096	1.7
145.01755	1.0
145.03426	2.6
145.04895	1.2
146.02327	1.5
146.04123	2.4
146.06017	1.1
146.99649	5.0
147.03313	4.6
147.05876	3.1
148.07542	1.0
148.94464	1.0
149.01236	1.2
149.05977	1.7
154.93188	1.4
155.01915	3.1
155.04665	28.4
156.03375	6.3
156.07658	1.1
156.98109	1.1
157.03456	2.2
158.99652	5.9
161.01227	3.7
161.02859	2.2
163.03342	2.4
164.02342	4.7
164.05199	4.4
165.04335	2.4
165.06752	1.1
165.54710	1.8
166.03952	1.0
166.55435	1.8
168.03378	2.1
168.11310	2.7
170.99673	3.5
172.03853	2.7
173.02901	2.0
173.09236	8.0
174.04425	5.0
175.04555	1.0
177.00732	5.4
179.10686	1.0
180.11057	1.0
181.01807	1.3
181.04399	2.3
182.03395	5.2
185.01273	1.2
185.02985	2.6
186.04382	6.3
186.06033	2.0
186.12387	2.3
187.04688	1.1
188.05144	1.3
189.00723	1.3
191.03909	2.4
191.05585	1.3
194.03404	3.5
201.00700	3.1
203.02277	1.5
203.03999	2.5
204.05412	4.9
206.06210	2.1
207.05165	1.9
212.04431	4.2
213.00769	2.1
218.06265	1.6
218.08250	1.2
219.01779	7.5
219.05211	1.3
221.05089	4.2
223.01154	1.3
227.06740	6.3
230.11319	1.9
231.01778	1.7
236.07266	2.1
236.09105	1.8
236.10948	1.6
236.12784	4.0
236.15022	1.5
236.17198	6.8
237.02783	7.9
238.03148	1.1
240.09892	2.0
243.14474	1.1
244.96458	2.1
245.05101	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	236.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01865	3.2
55.05505	4.3
56.05026	3.6
56.33825	1.2
56.96563	29.7
57.03428	4.4
57.07069	2.6
58.07411	2.9
60.04522	1.5
61.02922	4.3
69.03436	12.2
69.07056	2.9
69.25220	11.9
70.06593	54.6
71.04971	2.2
71.95245	1.6
72.08154	4.8
73.02927	7.3
73.06561	2.0
74.06089	1.5
79.05518	1.7
81.03411	5.1
81.07085	1.5
81.34607	1.3
83.94777	1.3
84.04514	3.4
84.08145	98.7
84.96045	3.5
85.02916	12.5
85.06554	2.1
86.06059	3.8
86.09705	65.6
87.04435	1.9
91.05478	2.6
95.04971	3.4
96.08108	1.7
97.02894	12.0
98.97586	30.1
99.04439	3.3
101.00890	4.3
101.10782	3.8
107.04955	100.0
108.05296	9.2
109.02876	3.2
110.07142	4.3
110.97581	10.4
111.09209	2.8
112.07618	5.3
112.99150	2.9
113.00881	1.9
115.05009	1.7
116.07094	38.9
116.98602	8.5
118.03233	2.2
119.01862	4.0
120.01163	8.2
120.08095	5.7
123.04438	1.6
127.03934	2.3
128.98610	9.2
129.10245	35.1
130.05005	1.6
130.08640	5.8
130.10603	1.4
130.93298	6.1
131.01883	3.5
134.99695	3.2
135.95810	1.3
141.10222	2.9
143.00163	5.1
145.03455	2.9
146.04083	5.9
146.99669	3.3
147.03249	4.0
147.05888	3.2
152.02348	1.6
155.01944	1.9
155.04651	28.1
155.54839	2.4
156.03317	4.4
156.04642	1.8
157.03445	2.7
158.99664	9.1
161.01242	3.0
161.02930	2.2
163.00693	1.6
163.03319	2.2
163.53348	1.8
164.02290	1.8
164.05173	4.9
165.04324	3.0
167.00085	1.5
170.99628	2.3
172.03992	1.7
173.07735	1.6
173.09187	9.1
174.04317	2.1
177.00687	3.2
180.11115	1.6
182.03398	3.5
183.04991	1.6
185.01173	2.6
185.02905	3.0
186.04449	6.6
186.12334	1.5
189.00667	2.2
191.03993	1.6
191.05675	2.3
194.03319	2.2
201.00677	1.9
203.03986	2.2
204.05392	3.3
211.88857	1.3
212.98445	2.0
213.00652	2.8
218.08208	1.6
219.01764	10.6
219.05063	1.8
221.05197	3.0
226.11790	2.0
226.95361	2.3
227.03979	1.9
227.06792	6.4
230.11508	1.7
236.07245	2.1
236.12747	3.3
236.15024	2.6
236.17198	8.2
237.02771	9.9
243.14619	2.3
244.96321	1.5
245.05144	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	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03938	4.0
55.01869	3.6
55.05507	14.4
57.07077	4.9
58.43419	2.2
59.04990	9.4
60.54439	2.4
65.03952	2.6
65.78294	1.9
67.05514	28.4
69.03441	10.2
69.07072	13.9
71.04993	36.0
79.05496	21.2
81.07059	100.0
83.04977	6.2
83.08624	3.9
85.06548	9.9
91.05480	24.2
93.07050	84.0
95.04962	9.9
95.08607	44.6
97.06527	8.0
99.08093	20.9
103.05511	2.9
105.07042	37.4
107.04959	3.3
107.08608	33.4
109.06541	13.5
109.10179	29.7
111.08080	6.0
113.06015	7.5
113.09644	2.5
115.05478	3.2
115.07543	3.8
116.50926	1.9
117.07022	4.1
119.05006	3.2
119.08583	24.7
120.08118	5.7
121.06491	2.8
121.10145	21.9
123.08060	10.5
123.11722	42.4
125.09628	6.9
127.07570	6.6
127.11208	14.4
129.07039	3.7
130.07661	2.0
131.04909	3.4
131.08566	7.7
133.10144	53.5
135.08093	3.1
135.11678	15.8
137.06000	3.8
137.09612	8.5
137.13289	3.3
139.11119	2.8
143.10675	4.3
144.05730	4.0
145.10121	13.1
147.11711	14.2
149.09634	3.4
149.13269	9.4
151.11180	61.3
154.63718	2.2
155.10681	5.6
159.11685	11.0
161.13298	8.6
162.17592	2.0
163.11217	7.0
165.07002	2.2
165.12799	2.2
173.05948	2.9
173.09579	2.4
173.13284	4.4
175.07579	4.7
175.14825	5.2
177.12746	5.3
181.06403	2.3
189.12724	2.4
191.07080	2.5
191.08635	4.8
191.10577	3.0
191.14313	2.6
191.17984	5.8
194.07285	8.9
201.16406	11.4
209.09586	5.2
219.08115	5.1
219.10199	5.8
219.13982	4.8
219.17442	36.9
237.09280	12.7
237.11203	5.4
237.14848	5.3
237.18498	34.8
237.56206	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03921	3.2
55.01852	3.6
55.05518	15.6
56.60622	2.5
57.03417	4.0
57.07048	3.0
59.04987	3.0
61.29550	2.8
67.01834	4.7
67.05513	23.6
69.03434	23.7
69.07063	18.5
70.70779	2.7
70.76540	6.0
70.76865	3.7
71.04995	46.9
79.05484	21.7
81.06614	4.0
81.07056	65.0
83.04935	8.0
83.08572	9.7
85.06503	10.7
90.54844	2.5
91.05477	21.0
93.07054	36.7
95.04914	11.0
95.08614	30.5
97.06495	11.3
97.10146	6.6
99.08083	16.9
102.16263	3.2
103.05486	16.0
105.07027	62.0
107.04909	4.2
107.08601	31.6
109.06521	20.4
109.10167	33.0
111.08026	5.8
115.05397	11.8
117.06961	9.1
118.04101	8.0
119.04975	4.1
119.08590	19.5
121.10128	18.2
123.04389	5.5
123.08009	12.2
123.11684	18.8
125.05963	4.4
125.09572	10.1
127.07500	5.9
127.10339	3.5
127.11186	53.1
129.07005	4.9
129.32838	2.9
131.04938	21.2
131.08481	11.3
132.05676	4.5
133.06503	28.0
133.10132	47.0
135.04237	3.1
135.07977	5.8
135.11626	7.1
137.05904	10.2
137.09586	4.1
139.11111	6.1
143.05968	2.9
143.08496	3.1
143.10606	7.9
145.06508	3.9
145.10143	28.0
146.03607	3.0
147.04359	6.1
147.11604	9.2
147.26556	2.5
149.02310	4.6
149.05896	8.1
149.09514	4.6
149.13159	8.9
151.11185	70.2
153.01782	4.6
155.10658	19.4
159.11603	11.7
160.05072	4.4
161.04846	2.9
161.05988	33.9
161.13217	4.1
163.07491	4.2
163.11142	5.9
165.07013	2.6
166.07634	4.4
173.05940	5.2
173.09560	4.8
173.13216	5.4
175.07457	9.9
175.14767	3.8
176.04607	5.2
177.05386	7.7
177.12637	6.0
177.16388	5.1
189.07082	2.6
189.09027	3.2
190.07867	3.9
191.07037	28.7
191.08517	4.8
191.10591	9.3
191.14264	5.2
191.17960	4.0
192.07668	5.8
193.04964	93.3
193.08522	5.4
193.89943	2.8
194.05342	3.9
194.07149	4.9
195.13708	2.5
201.09021	4.7
201.16278	8.2
205.04851	6.9
209.09689	4.7
214.21330	3.0
219.06358	8.4
219.10069	9.8
219.13788	3.2
219.17303	10.2
226.58606	2.4
237.07416	100.0
237.14740	8.4
237.18456	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	237.185
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03947	2.1
55.01870	1.8
55.05516	8.0
57.07084	4.6
58.02734	0.7
59.04993	0.8
65.03941	1.8
65.60615	0.7
67.05509	40.3
69.03414	0.8
69.07071	6.8
71.04987	1.5
71.08623	1.0
71.48396	1.3
73.22117	0.7
75.91581	0.7
79.05491	14.5
79.05920	1.2
81.07062	100.0
83.04984	2.7
83.08644	3.9
84.67902	0.7
85.06522	1.0
91.05489	4.8
93.07050	10.9
95.04974	1.5
95.08612	67.6
97.06522	1.6
97.10186	1.8
105.07046	2.5
107.04967	0.9
107.08604	7.2
109.06522	1.2
109.10165	22.6
111.04459	2.9
111.08099	1.7
117.06994	1.1
119.08602	2.8
121.06554	1.2
121.10159	8.3
123.08096	1.8
123.11707	6.0
125.06019	0.8
131.08609	2.5
133.10097	1.0
135.08052	1.2
135.11702	7.0
137.09628	1.8
137.13252	0.9
145.10194	2.8
146.06033	0.9
147.11739	0.9
148.60350	0.8
149.09668	2.0
149.13290	1.8
153.05476	1.6
159.11737	2.6
162.14438	0.8
163.11229	2.8
164.36040	0.7
165.06995	1.3
167.10780	1.0
177.12819	0.9
177.16449	1.4
179.08554	0.8
181.04967	1.6
181.12305	1.1
182.54189	0.8
191.06871	0.8
191.10744	2.1
193.05080	0.8
195.11906	1.2
195.13768	1.4
200.03160	1.1
201.16397	2.9
207.11671	0.9
209.11664	5.2
219.17532	2.9
219.21121	1.6
237.07411	1.4
237.12840	1.5
237.16422	3.1
237.18555	16.0
237.22247	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03930	3.3
55.01863	3.5
55.05515	88.2
57.03426	3.9
57.07077	30.1
65.03939	2.2
67.05509	82.0
69.07072	100.0
70.40033	2.9
70.40417	2.9
71.04982	4.0
71.08640	13.9
79.05495	39.5
81.07062	96.8
83.04998	3.6
83.08624	89.0
85.06549	5.9
85.10186	5.8
87.74818	1.4
91.05480	6.7
93.07047	57.2
93.07639	2.8
95.04967	3.5
95.08613	70.9
97.06535	29.1
97.10173	46.2
98.83382	1.6
99.08099	6.1
103.29740	1.4
105.04469	2.3
105.07021	1.4
107.08595	37.1
109.10173	26.9
111.08091	21.9
111.11716	9.5
113.09637	4.4
115.11229	2.8
119.08623	1.5
121.10153	85.5
123.11720	23.1
125.09652	8.1
127.11197	2.8
135.11702	61.1
135.12740	3.1
137.13252	17.6
139.11179	4.5
141.12750	3.4
149.13274	23.3
151.14871	3.6
153.12720	1.7
155.14499	1.4
163.14824	12.5
170.22450	1.5
174.84380	1.5
177.16278	2.9
193.04938	1.9
209.11652	2.4
219.13878	1.9
219.21091	52.9
222.06818	1.8
237.09122	5.1
237.22145	97.4
238.22461	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	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03934	5.7
54.18201	1.4
55.05513	80.2
57.03424	4.4
57.07079	36.2
65.03938	3.6
67.05508	78.7
69.07073	99.2
70.19777	4.1
71.04978	4.4
71.08638	14.9
79.05497	49.0
81.07061	92.1
82.25397	1.3
83.04981	3.6
83.08627	88.8
85.06538	5.9
85.10165	3.6
91.05460	5.7
93.07053	54.4
95.08611	66.3
97.06538	28.2
97.10170	39.9
99.08067	4.9
105.07034	2.3
107.08598	36.1
109.10168	31.3
111.08082	21.2
111.11736	9.8
113.09643	1.8
115.11258	1.8
121.10152	78.8
123.11716	23.7
125.09605	4.6
127.11195	2.7
135.11696	56.9
137.13261	16.4
138.13689	1.4
139.11191	6.3
141.12766	3.4
149.13264	24.4
151.14847	2.6
153.12697	2.5
163.14833	8.9
177.16357	4.6
219.21094	52.2
220.21376	1.8
237.22139	100.0
238.22371	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	237.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05027	1.0
51.81409	1.0
53.03939	3.9
55.01863	2.3
55.05513	80.7
56.05826	1.0
57.03424	4.7
57.06795	1.8
57.07076	32.1
65.03935	1.9
67.05508	78.8
69.03415	1.6
69.07070	96.4
69.37204	2.7
69.37602	8.2
71.04987	5.5
71.08636	12.9
79.05495	47.3
81.07057	100.0
82.07397	1.6
83.04967	5.1
83.08620	87.4
84.08978	1.4
85.06527	4.7
85.10176	3.4
91.05462	8.9
93.07046	57.1
95.04956	3.0
95.08612	67.7
97.05927	2.1
97.06535	34.9
97.10167	43.6
99.08067	2.7
105.04551	1.2
105.07045	3.1
107.07879	2.4
107.08592	41.2
109.06512	1.3
109.09482	2.0
109.10165	27.1
111.04429	2.8
111.08087	21.8
111.11715	9.3
113.09655	2.5
115.11188	1.6
119.08558	1.7
121.10146	84.0
123.08065	1.6
123.11700	29.1
125.06033	1.7
125.09612	5.5
127.11173	4.2
135.11694	62.7
137.13263	17.0
139.11194	3.9
141.12749	2.9
149.13271	24.1
151.14809	3.5
153.05420	1.3
153.12755	2.2
163.14825	10.6
164.62366	1.2
166.07779	1.3
167.14427	1.4
172.44182	1.3
177.16373	4.0
183.21822	1.2
191.10735	2.0
193.08534	1.2
209.11742	4.6
219.21082	59.0
223.46262	1.1
237.09158	1.9
237.22133	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05495	4.2
56.05019	1.1
57.07067	2.4
57.55619	1.1
59.04720	1.7
59.05005	33.3
64.09728	1.3
67.05516	7.1
69.03419	5.1
69.07067	1.8
70.06566	1.5
71.04996	1.4
71.48360	1.4
77.03931	1.3
79.05494	4.3
81.07057	4.9
83.04981	8.3
83.08572	1.3
84.08143	2.8
85.06526	1.1
86.09711	6.5
89.06019	1.3
91.05486	13.6
93.07056	24.9
95.04972	3.4
95.08610	30.2
97.02940	1.7
97.06498	1.4
99.04513	1.3
104.77153	1.1
105.07040	12.7
107.08598	12.6
109.06505	5.5
109.10166	7.4
110.41823	1.0
111.04427	1.6
111.08076	11.6
112.70327	1.1
117.06989	2.2
119.04909	2.1
119.08593	28.7
120.09328	2.0
121.06515	10.3
121.10141	4.7
123.11696	2.2
124.11266	1.5
125.09647	3.2
131.08617	1.6
133.06445	1.2
133.10143	23.0
135.08083	2.7
135.11700	100.0
137.05975	4.2
137.09625	3.2
139.07512	10.0
147.08122	1.4
147.09190	1.8
147.11700	59.9
149.09618	2.0
149.13232	3.2
151.11221	6.9
161.06030	2.3
161.09648	5.8
163.68324	1.3
165.06982	4.2
175.11214	9.3
177.12740	23.7
179.10678	22.2
183.07968	2.2
193.06528	2.2
193.12241	5.9
197.06004	2.3
203.10727	1.6
207.18581	6.9
208.06520	1.1
211.07510	3.9
221.11755	5.7
239.06947	2.5
239.09029	2.6
239.12796	10.5
239.16431	1.7
239.21237	5.2
240.07835	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03938	3.9
55.05512	29.3
55.90535	4.1
57.03439	5.7
57.07074	27.1
59.05000	31.1
67.05507	31.4
69.03410	4.3
69.07066	46.8
69.84795	18.0
71.04995	12.3
71.08621	11.1
73.06557	5.3
79.05498	19.7
81.07059	96.2
81.07536	6.6
82.63244	3.5
83.04972	5.6
83.08626	22.7
85.06533	12.0
87.04443	3.4
91.05479	9.9
93.07039	35.0
95.04956	4.4
95.08609	100.0
97.06523	22.4
97.10180	18.6
103.05493	4.5
105.07053	26.3
106.06547	5.0
107.04963	13.4
107.06892	6.8
107.08598	53.2
109.06516	7.4
109.10163	57.2
111.08105	15.3
111.11710	14.4
112.76299	3.9
115.07564	5.0
119.08599	29.8
121.10150	38.5
123.08055	11.7
123.11716	40.2
123.90549	3.7
125.09627	13.1
131.04922	4.7
133.10138	33.8
135.11693	31.2
137.13257	96.8
138.78278	3.5
139.11195	23.8
143.10674	8.5
145.10104	4.5
147.11708	35.4
149.13272	18.4
151.11229	10.1
151.14790	5.6
153.06973	3.7
153.12753	5.3
155.08516	5.9
161.13264	14.8
163.14828	31.6
165.07027	8.6
165.12752	10.2
168.05644	4.7
169.10097	8.0
175.14821	5.6
177.16393	9.9
179.08643	3.7
183.08060	4.7
183.11737	12.2
193.10222	4.0
193.19463	6.9
196.05182	6.4
197.09633	4.3
197.13327	9.7
203.17949	63.1
211.07555	13.9
221.19000	60.1
224.15462	3.3
239.07048	24.3
239.10683	13.5
239.14198	9.0
239.17918	20.3
239.20099	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.72487	3.7
53.03944	4.2
55.01870	3.8
55.05512	38.1
55.09688	3.0
57.03428	6.5
57.07078	21.7
59.04996	27.8
67.05502	36.3
69.03416	4.4
69.07071	48.4
71.04993	8.1
79.05507	21.3
81.07059	87.6
83.04970	8.1
83.08620	22.4
85.06532	18.3
86.09711	16.5
91.05473	10.8
93.07059	32.1
95.04993	4.9
95.08609	100.0
97.06512	14.1
97.10149	14.8
99.08093	6.7
105.07036	18.8
107.04928	6.0
107.08592	47.5
109.06512	15.6
109.10155	50.4
111.08060	16.5
111.11729	10.5
119.08604	24.4
121.10150	30.4
123.08086	8.6
123.11726	38.0
125.05984	3.3
125.09645	16.2
131.08568	3.3
133.10127	29.5
135.11703	26.7
137.09621	7.9
137.13255	82.2
139.11217	17.9
141.06963	4.2
143.10684	6.5
147.11661	28.2
149.13258	12.6
151.11131	10.2
153.12747	4.6
155.08536	6.1
157.10197	4.7
159.11736	4.8
161.13239	12.5
163.14844	29.9
165.06987	13.5
165.09192	3.7
165.12791	5.8
168.05684	6.0
175.14833	5.5
177.16370	11.3
180.23973	3.6
183.11745	6.0
189.74113	3.3
193.06438	4.3
197.13290	4.7
203.17979	54.2
211.07567	12.7
221.11719	9.3
221.15384	6.5
221.19002	53.4
229.05533	3.3
237.52068	3.3
239.06911	21.2
239.08911	5.5
239.10757	8.4
239.14392	4.4
239.17928	8.7
239.20041	34.5
240.07889	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	239.2371
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03941	1.4
55.05515	22.6
57.07078	100.0
65.03938	1.5
67.05509	48.6
69.07073	24.3
69.18237	0.5
69.18590	5.4
71.04996	1.7
71.08636	63.9
79.05483	3.8
81.07061	48.4
83.08624	26.6
85.06544	4.2
85.10187	29.7
89.06033	2.2
91.05449	0.8
93.07058	2.7
95.08611	71.7
97.10178	11.2
99.04446	1.2
99.08102	2.1
99.11707	1.0
109.10162	25.8
111.11710	1.5
123.11712	7.8
133.06503	0.5
137.13228	2.4
147.43535	0.5
151.14836	0.6
155.08461	0.7
157.09909	0.7
165.16336	0.8
169.06506	0.8
169.10088	1.1
182.37346	0.6
183.08067	0.6
183.11690	1.0
197.09634	1.0
197.13205	0.8
221.22556	0.7
239.08817	1.6
239.14412	2.9
239.17960	1.7
239.23627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00308	0.8
53.03954	1.0
53.22107	0.5
54.57002	0.5
55.05516	21.9
57.07080	100.0
65.03952	1.1
67.05510	47.1
69.07070	22.7
70.00246	0.5
71.05010	0.7
71.05539	0.5
71.08637	61.1
72.04529	0.8
79.05496	3.6
81.07060	50.7
83.08626	29.4
85.06533	3.4
85.10187	26.5
86.83467	0.5
89.06028	0.6
91.05479	0.6
93.07048	2.7
95.08614	70.6
97.10174	12.6
99.08122	1.7
99.11655	0.6
99.53599	0.6
109.10162	24.1
111.11736	1.8
123.11720	7.5
135.41211	0.5
137.13269	2.0
151.14809	0.9
155.08514	1.0
165.16440	0.6
183.11725	0.6
197.13229	0.7
239.08952	0.8
239.17886	2.1
239.23724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05513	24.3
57.07078	100.0
65.03945	2.5
67.05506	50.2
69.07072	25.9
69.84461	0.9
70.74043	1.0
71.04983	1.2
71.08634	61.8
71.49403	1.2
79.05489	5.8
81.07060	59.4
83.05029	1.6
83.08247	0.8
83.08620	30.3
85.06526	4.3
85.10188	30.8
89.06044	5.4
91.05475	1.2
93.07054	4.8
95.08612	77.4
97.10172	15.0
98.97605	1.4
99.04458	3.9
99.08097	2.1
105.07040	2.0
107.08604	1.5
109.10161	27.9
111.11752	1.5
121.10184	1.0
123.11705	8.4
133.08612	2.5
137.13237	1.9
151.14819	1.2
155.08586	1.3
157.10129	1.3
165.16359	1.1
169.10155	1.7
175.68765	0.8
183.11723	1.8
197.13303	2.6
209.13237	0.9
211.07423	1.8
239.06964	1.9
239.08932	5.0
239.10928	1.2
239.14372	1.6
239.18088	5.6
239.23631	1.3
240.12195	1.4
240.23323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1596
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01870	9.9
55.05513	1.2
67.05499	2.5
68.05015	2.8
69.03421	2.0
69.07073	15.2
69.73425	2.5
69.73831	2.1
70.02930	2.8
70.06593	18.5
71.04610	1.7
71.04994	30.2
79.05492	4.3
80.05024	0.9
81.07049	5.0
82.06537	1.5
83.04957	1.0
84.02116	2.2
84.04489	1.3
84.37582	0.9
86.06076	5.6
91.05461	2.6
93.07059	2.1
94.06537	2.5
95.07346	1.0
95.08594	1.9
96.04488	3.3
96.08134	23.5
97.05254	1.9
97.06520	1.4
98.06050	2.5
98.09695	10.2
106.06566	5.3
107.04939	0.9
107.08598	2.3
108.08122	5.4
109.10139	2.9
110.06037	1.2
112.07582	1.0
120.08084	1.5
122.06040	14.4
122.09629	1.2
124.07596	77.2
125.08408	4.2
126.09193	1.5
134.06023	1.3
134.09631	1.2
135.08052	1.1
136.07593	2.3
140.07066	15.6
150.12781	6.6
152.07074	4.1
152.10678	2.6
153.07886	9.5
155.08635	1.3
162.05470	1.3
166.08698	1.3
169.06517	1.8
170.08394	1.0
176.14388	3.4
181.06473	2.4
182.07126	1.0
185.09619	1.1
194.15396	11.1
204.13855	9.5
209.06096	1.3
213.09102	2.6
222.14896	100.0
225.05414	2.4
226.06239	1.2
240.07845	1.5
240.10176	1.5
240.12289	2.1
240.16103	5.4
241.08536	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	241.0859
Annotation	Moscatin
Peak:m/z	Relative Intensity
51.80917	0.9
51.81255	0.9
55.01854	0.9
57.07063	0.9
67.05489	1.5
69.07055	1.4
71.49071	1.1
81.07046	1.4
83.08605	1.3
91.05476	1.2
92.18344	1.0
95.08601	1.3
107.08604	0.9
115.05487	1.1
116.29480	0.9
119.83624	1.0
121.10153	1.1
128.06242	1.0
131.08585	1.1
141.07008	2.4
142.07755	2.5
152.06224	9.7
153.07007	18.6
154.07668	1.3
155.04892	2.8
155.08553	5.1
157.06477	1.2
157.10088	1.0
165.07053	14.7
167.08739	1.0
169.06505	3.8
170.07286	20.6
171.07988	1.8
171.11763	2.3
180.05717	6.7
181.06493	32.0
182.07271	12.9
183.08083	12.6
185.09642	9.3
185.13287	1.1
195.08055	9.3
197.05994	1.9
198.06758	17.7
199.07506	4.4
208.05261	1.4
209.05977	8.8
213.09126	100.0
214.09447	3.1
226.06265	4.0
241.08614	34.2
241.12527	2.2
241.15762	4.0
241.19482	4.3
241.23631	1.1
242.09109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
67.40633	0.8
69.73137	4.4
96.29658	1.0
106.25846	0.9
152.06227	7.6
153.07005	19.0
155.04930	2.2
165.07031	5.1
167.08562	3.0
169.06480	2.1
170.07220	2.6
176.06210	1.0
177.06970	2.7
180.05679	2.7
181.06487	93.1
182.07167	2.7
183.08163	1.0
195.08022	5.6
197.06003	1.9
198.06734	12.1
205.06418	2.2
208.05203	8.2
209.05980	100.0
210.06711	8.4
213.09122	4.6
221.06052	1.7
223.07524	8.1
224.08342	2.5
226.06241	38.5
239.06953	2.6
241.08598	95.0
242.08958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
51.14327	0.3
52.76581	0.4
55.05494	0.4
57.03440	0.4
67.05508	0.4
69.07077	0.5
69.67774	0.3
69.82886	1.1
69.83295	0.6
70.06585	0.3
72.08160	0.5
75.52431	0.4
95.08601	0.3
102.07733	0.4
102.31093	0.3
109.10186	0.4
119.08629	0.3
121.10139	0.4
126.27835	0.3
137.09581	0.4
141.95070	0.3
145.06323	0.3
152.06233	2.6
153.06985	5.1
157.06505	0.9
157.10138	0.4
159.11829	0.4
165.06979	1.6
167.08540	1.0
169.06528	0.9
170.07278	3.7
171.04396	0.5
171.08046	0.5
177.06973	1.1
180.05722	0.7
181.06496	67.4
182.07147	2.6
183.04443	0.4
183.08049	1.3
184.05254	0.7
185.05975	0.4
185.09583	0.7
195.08014	2.4
197.05968	2.8
197.17371	0.7
198.06766	10.4
205.12248	0.4
208.05225	1.2
209.05995	34.4
210.06776	20.1
211.07376	0.6
213.05426	0.7
213.09091	4.6
223.07507	1.4
223.13327	0.4
225.05403	0.5
226.06258	34.0
227.06682	0.7
241.08607	100.0
242.08971	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	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
51.71267	0.5
55.01871	1.5
56.00193	0.6
70.57934	1.6
83.44449	0.5
85.02873	0.7
91.05469	0.7
98.20896	0.6
123.08015	0.7
128.06239	0.7
129.07025	0.7
129.56044	0.5
141.06953	1.8
142.07787	1.6
144.64732	0.5
152.06198	3.9
153.07001	12.0
154.07738	1.3
155.04956	0.9
155.08575	4.3
165.06999	8.5
165.09154	0.6
167.08516	0.9
168.05777	0.9
169.06476	4.1
170.07271	20.9
171.07986	2.2
177.07004	0.6
180.05725	2.7
181.04823	0.6
181.06479	21.7
182.07272	24.7
183.04466	0.9
183.08043	12.7
184.05217	0.9
185.09645	7.1
195.08049	4.8
196.08841	0.9
197.05957	4.4
198.06767	23.0
199.07430	0.8
209.06013	2.2
210.06766	2.5
212.08345	1.2
213.09109	100.0
214.09425	1.8
223.07414	0.7
226.06256	5.7
241.08603	56.7
242.08971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Moscatin
Peak:m/z	Relative Intensity
55.01684	0.8
55.01919	1.1
70.63839	1.7
95.08672	0.7
109.02999	0.6
110.58770	0.6
123.08141	1.0
129.07059	1.3
141.07037	1.8
142.07837	1.3
152.06194	3.9
153.06984	10.8
153.08015	0.8
154.07823	1.8
155.08597	3.8
157.06529	1.1
160.31909	0.7
164.13223	0.6
165.06985	9.7
167.08536	1.2
168.05748	0.7
169.06544	4.3
170.07271	22.8
171.08075	2.7
180.05740	2.5
181.06474	24.2
182.07275	23.9
183.08046	11.3
185.09610	7.0
195.07973	5.2
196.08778	0.9
197.05971	3.8
198.06757	23.7
208.05321	0.8
209.05969	5.4
210.06728	2.1
212.08311	1.7
213.09102	100.0
214.09497	1.9
223.08562	2.5
223.13274	0.7
226.06192	7.3
241.08559	57.3
242.08900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
50.60358	0.4
55.05520	0.6
56.15742	0.4
57.15312	0.6
57.49656	0.5
67.05485	0.4
70.21648	0.5
70.22002	1.6
81.07036	0.6
83.46105	0.5
85.73940	0.4
91.05492	0.5
95.08604	1.4
109.10185	0.7
119.08649	0.5
121.10126	0.6
135.11615	0.6
139.05411	0.5
141.07024	0.5
143.08583	0.6
152.06195	3.1
153.06972	4.3
157.06546	1.0
165.06987	2.1
167.08571	1.5
169.06503	1.0
170.07300	4.6
171.11768	0.4
177.06978	0.9
180.05780	0.5
181.06487	69.8
182.07149	2.9
183.08061	1.2
185.05998	0.7
185.09648	0.7
185.13158	0.7
195.08102	2.6
197.06027	2.8
198.06764	9.8
208.05232	1.0
209.05984	35.7
210.06767	19.8
211.07300	0.8
213.05540	0.7
213.09128	4.8
223.07588	1.6
224.08383	0.5
226.06241	36.2
227.06676	1.1
241.08598	100.0
241.19646	1.0
242.08990	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	241.0861
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
50.47336	0.3
55.01885	1.3
55.05522	0.8
55.06105	0.4
55.90022	0.4
67.05515	0.7
69.07054	0.5
69.91861	0.8
69.92252	1.0
71.05004	0.5
79.05503	0.8
80.87189	0.4
81.07064	1.2
83.42772	0.4
85.02917	0.4
85.06600	0.4
87.21571	0.4
89.73301	0.4
91.05503	0.8
95.08631	1.0
97.06559	0.6
99.04494	0.4
105.07023	0.5
107.04961	0.4
107.08617	0.7
109.10152	0.8
119.08588	0.7
121.06498	0.5
121.10171	0.8
128.06233	0.5
129.07042	0.8
141.06993	1.7
142.07791	1.7
143.08546	0.6
145.06522	0.6
152.06239	3.6
153.06989	10.6
154.07748	0.9
155.04915	0.6
155.08560	3.5
156.05653	0.4
157.06479	1.3
157.10159	0.9
163.03871	0.5
165.07002	10.5
167.08530	1.0
169.06502	4.0
170.07263	21.1
171.08031	2.2
177.06981	0.5
180.05765	2.2
181.06482	21.0
182.07278	20.1
183.04486	0.6
183.08058	9.5
184.05170	0.5
185.02095	0.4
185.09616	7.3
195.08017	4.5
196.08824	0.8
197.05974	3.2
198.06760	20.5
199.07472	1.2
205.12050	0.4
208.05243	0.8
209.05962	2.8
210.06786	2.0
211.07570	0.8
212.04813	0.5
212.08255	0.9
213.09108	100.0
214.09470	1.6
215.29602	0.4
223.07536	1.6
225.05424	0.4
226.06239	6.6
241.04768	1.5
241.08592	56.7
241.19624	0.8
242.08984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
51.96565	0.4
61.17947	0.3
69.35743	1.6
69.36167	1.2
77.61566	0.3
102.90751	0.3
133.23946	0.3
152.06180	2.1
153.06990	4.6
157.06500	1.1
165.06993	1.4
167.08534	0.6
169.06467	0.9
170.07268	3.7
177.06996	0.5
180.05731	0.5
181.06490	66.2
182.07204	2.6
183.08060	1.3
185.09552	0.4
193.06551	0.3
195.08052	1.6
197.05983	3.0
198.06758	8.7
208.05165	1.0
209.05986	34.5
210.06766	21.0
211.07349	0.9
212.08377	0.5
213.05472	0.5
213.09102	3.3
223.07475	0.8
225.05406	0.4
226.06255	34.1
227.06671	0.5
241.08598	100.0
242.08914	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	241.086
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01877	1.5
60.48093	0.7
67.93461	0.6
69.02280	0.7
70.13406	2.8
70.13786	1.0
80.77166	0.7
105.70206	0.8
106.34906	0.7
122.82751	0.6
141.06993	1.0
142.07849	2.1
145.06516	1.0
152.06151	3.4
153.07014	10.2
154.07819	1.0
155.08594	3.5
157.06470	0.8
165.07016	10.4
167.08510	0.9
169.06468	3.9
170.07271	23.0
171.08025	2.6
180.05721	2.1
181.06491	22.1
182.07266	22.2
183.08066	11.9
184.05347	0.8
185.06026	0.8
185.09627	6.9
195.08054	5.2
196.08829	0.9
197.05945	3.6
198.06775	22.1
199.07439	1.3
201.98444	0.7
210.06841	1.3
212.08345	1.4
213.09113	100.0
214.09479	1.3
223.07474	0.8
226.06187	4.7
227.07010	1.9
241.08592	54.6
242.09409	3.6
246.41957	0.7
258.40204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01865	6.3
55.05516	17.7
55.93516	6.1
57.03433	11.7
57.07073	6.2
59.05008	64.0
60.82510	2.7
65.03951	2.0
66.29899	2.1
67.05521	17.7
68.79962	2.1
69.03419	8.3
69.07043	9.0
70.06584	6.5
71.04987	4.6
72.08157	2.7
72.93787	4.7
74.06073	2.8
79.05519	11.8
81.07054	20.0
82.06573	2.8
83.04987	33.4
83.08621	5.2
84.04508	4.7
85.02875	3.2
85.06545	5.3
86.09733	5.4
90.96824	2.1
91.05478	12.7
91.94337	2.6
93.07046	28.7
95.04940	6.6
95.08075	4.4
95.08617	49.5
97.06538	4.6
99.04448	7.3
101.06023	4.5
105.07035	16.2
107.04948	7.7
107.08603	39.3
109.06515	11.5
109.10143	10.0
110.07160	7.3
111.04424	8.2
111.08111	10.9
113.06036	3.3
117.07011	6.0
119.08602	21.1
121.06505	18.9
121.09355	2.9
121.10160	42.8
122.97226	2.9
123.08079	43.6
123.11655	3.9
125.05983	5.2
125.09645	14.0
129.07062	4.1
129.10216	3.7
131.08553	4.6
133.10106	5.7
135.08046	14.9
135.11702	84.2
137.09613	13.4
137.13168	3.2
139.07523	8.5
139.11169	5.6
141.09100	12.3
145.10103	10.3
145.83611	2.9
147.11710	3.2
149.05951	2.9
149.09633	60.5
149.13297	10.9
152.06207	4.1
153.07016	3.4
153.09129	4.1
157.06483	3.6
157.10143	3.3
159.11697	14.8
163.11192	47.3
164.12073	2.5
167.10669	6.8
170.07300	3.8
171.08110	2.4
177.09109	9.8
177.12764	100.0
179.14275	25.1
181.06514	30.3
181.08321	3.9
181.12218	10.3
182.07262	2.7
185.05969	2.7
185.09555	3.7
187.11125	4.0
195.08041	4.8
195.13802	8.5
195.56026	2.6
198.06688	4.8
205.12270	37.9
209.05959	16.0
210.06731	8.8
213.09068	15.0
223.13297	94.4
224.13435	2.7
226.06277	15.0
241.04865	5.3
241.06038	3.1
241.08575	59.7
241.14198	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	241.1436
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03932	4.1
55.01870	3.1
55.05521	14.9
55.93496	6.8
57.03406	8.3
57.07058	5.1
59.05001	57.9
65.90913	2.5
67.05505	12.3
69.03402	9.3
69.07084	13.1
70.06563	6.8
70.98006	5.5
71.04964	8.5
71.95869	2.0
72.93769	7.3
73.59068	2.4
79.05503	12.9
81.03407	2.8
81.07050	12.2
81.91995	2.5
83.01343	3.1
83.04990	31.6
83.08581	5.3
84.04472	4.7
84.08123	2.7
85.02879	3.4
85.06531	4.1
86.09690	4.9
91.05494	12.2
93.07044	28.9
95.04918	6.4
95.08611	45.9
97.06508	6.9
99.04423	8.0
101.06004	3.8
102.53798	2.1
105.07036	13.9
107.04932	4.1
107.07915	2.3
107.08595	40.3
109.06471	9.6
109.10145	12.0
110.07152	5.8
111.04410	7.2
111.08032	9.3
113.05956	3.4
117.06994	7.8
119.08580	17.2
119.84755	2.4
121.06541	14.1
121.10152	41.5
123.08075	44.4
123.11700	2.7
125.05959	3.3
125.09646	13.1
129.06952	2.8
131.08530	5.2
133.10147	10.9
135.08072	12.3
135.11687	83.8
137.09619	11.9
137.13248	4.7
139.07481	9.0
139.11131	5.4
141.09099	14.5
143.08546	3.3
144.09271	4.9
145.10065	9.2
147.08034	2.6
147.11613	3.1
149.05942	3.0
149.09622	51.4
149.13197	9.6
152.06122	5.3
153.06908	6.0
153.09038	3.3
153.12697	6.8
159.11653	17.4
163.11177	55.9
165.07051	2.9
165.09035	2.6
167.06978	2.7
167.08409	2.6
167.10626	4.9
172.01721	3.4
177.09038	8.2
177.12756	100.0
179.14314	25.1
181.06465	24.1
181.12238	11.1
182.07201	4.1
183.10120	2.6
184.05141	2.5
185.05925	3.2
185.09515	3.8
187.11194	2.4
191.96947	2.7
193.10249	2.6
195.07927	3.7
195.13734	8.0
197.06044	3.3
198.06667	9.2
200.00714	3.4
205.12245	31.3
209.05968	12.5
210.06595	7.9
213.05559	3.7
213.09135	12.3
213.25214	2.4
223.11249	4.9
223.13309	88.3
226.06291	15.4
226.13687	2.1
236.02757	2.8
241.08513	58.9
241.14244	77.4
242.14705	2.4
251.04808	2.3
253.05222	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01862	0.4
55.05521	1.3
56.96564	3.5
57.03432	0.7
58.06602	17.6
59.04996	1.0
61.02911	1.0
62.93952	0.3
67.95956	0.2
69.03438	1.6
69.07086	0.2
69.83667	1.1
70.06594	3.6
71.04998	0.3
71.95274	0.3
72.08152	1.3
73.02907	0.8
73.06546	0.5
78.97556	0.3
81.03423	1.3
81.07057	0.3
84.04493	0.6
84.08147	11.3
84.96049	0.8
85.02914	2.0
85.06540	0.3
97.02891	2.0
98.06066	0.4
98.09685	1.2
98.20912	0.4
98.97590	9.1
99.04437	0.8
100.11225	0.5
101.00870	1.0
107.04952	0.9
110.01315	0.3
110.07157	1.1
110.97600	1.3
111.53251	0.3
114.05555	0.3
116.07101	0.8
116.98635	2.4
119.01920	0.6
124.99109	0.4
126.05495	0.3
127.00679	0.8
127.03980	0.3
128.10724	4.0
128.98582	0.6
129.10225	0.8
131.01881	0.3
134.99664	0.7
140.45923	0.3
140.98598	0.5
143.00192	0.5
143.01888	1.2
144.10202	1.2
145.01744	0.7
145.03450	0.5
146.04086	0.3
146.99635	0.3
147.05838	1.6
147.55914	0.3
152.07040	0.4
152.10728	0.3
155.01917	0.3
155.04666	2.0
155.09256	1.0
157.01723	0.6
158.99657	1.3
160.03828	0.6
160.06612	0.7
161.02972	0.6
161.04593	0.5
163.04460	0.4
168.10201	1.2
169.04396	1.1
170.05127	0.3
170.99686	0.8
173.02982	0.4
177.00731	0.5
181.06433	0.3
182.03354	1.1
191.03925	0.4
196.09703	5.1
198.99153	0.5
201.00685	0.5
203.03841	0.4
205.03767	0.3
212.04517	0.4
213.15941	0.7
217.00262	0.5
219.01842	2.1
221.05139	0.4
223.11517	0.3
237.02873	1.1
241.15485	100.0
242.15800	1.3
245.05142	0.4
249.77019	0.3
258.99783	0.8
261.02966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01865	0.9
55.05510	0.8
56.96563	3.3
57.03449	1.8
57.07069	0.4
58.06601	18.1
61.02933	3.6
69.03435	3.6
69.07045	0.5
70.06596	4.0
70.98083	0.4
71.04975	0.8
71.47600	0.5
72.08153	0.8
73.02913	2.8
77.00912	0.4
79.07447	0.4
81.03427	2.7
82.99837	1.0
83.04967	0.4
83.06101	1.4
84.04507	0.7
84.07637	0.5
84.08145	10.0
84.96026	0.7
85.02911	7.0
86.09695	0.4
87.04443	0.4
91.03944	0.5
97.02308	0.6
97.02892	6.6
98.09686	1.5
98.97578	3.5
99.04470	2.0
100.02601	0.7
100.11218	0.4
101.00879	4.5
102.00959	0.6
103.02415	0.5
104.10753	4.5
109.02885	1.2
110.97576	0.9
111.02877	0.6
112.99131	0.6
113.00843	2.2
113.02356	0.5
113.99615	0.3
114.05493	0.6
115.02422	1.9
115.03153	0.6
116.07159	0.4
116.98604	1.1
119.01927	4.4
123.02879	0.8
123.04436	0.6
127.02406	0.9
127.03911	2.0
127.04751	0.3
128.10712	3.5
128.98586	0.8
129.03963	0.6
129.10187	0.3
130.03691	0.6
131.00266	0.5
131.01910	5.7
132.01877	0.5
132.03423	0.7
133.03455	3.2
134.03531	0.5
134.05991	0.5
138.03508	0.5
139.02403	0.4
139.04189	0.5
141.03938	0.5
141.22847	0.3
143.01907	3.6
144.10152	1.6
145.01680	0.5
145.03470	2.4
145.04961	1.0
146.02242	0.5
146.05003	0.4
147.03085	0.5
147.05774	1.2
148.03787	0.6
148.04811	0.5
149.02913	0.5
150.02798	0.5
151.04283	0.7
152.05057	0.6
152.07042	1.1
153.05746	0.4
153.07266	0.4
155.01843	1.9
157.03482	2.8
158.03590	0.4
158.99617	0.8
159.01315	0.4
159.05034	0.8
160.03574	0.5
160.04764	5.3
160.06606	0.3
160.54828	0.5
161.02975	2.4
161.05565	4.4
163.04425	0.7
168.03644	1.0
168.10167	1.7
169.03259	0.5
169.05446	2.0
170.06058	1.0
171.01302	0.7
171.04977	0.5
173.02979	1.9
173.06531	0.4
174.04504	0.5
175.03062	0.5
175.04523	1.9
175.86836	0.4
177.06062	0.5
178.04961	0.4
180.99821	0.5
181.03455	1.2
181.06502	0.7
183.05028	0.6
185.02939	1.6
187.04501	1.0
196.09700	5.7
198.06677	0.4
198.98808	0.5
199.00862	0.9
199.04514	1.7
201.02521	0.6
201.06036	0.6
203.03992	1.0
209.05939	0.9
211.04605	0.4
213.16100	0.5
217.00218	0.7
217.05594	0.7
219.01764	0.8
219.03645	0.6
221.05069	0.5
237.02927	0.7
241.08701	2.6
241.15479	100.0
242.15642	1.7
245.05034	0.8
259.06638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1387
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
50.53644	0.9
53.03930	1.5
53.80486	0.9
55.05493	3.0
56.05020	2.1
57.03434	6.5
60.04161	0.9
66.83421	0.9
67.05481	2.5
68.05033	1.0
68.17677	0.8
68.34589	0.9
69.03422	1.8
69.07043	3.4
70.06597	12.0
71.04974	1.3
71.48608	1.3
72.08128	2.5
75.04462	2.1
76.04897	0.9
79.05478	5.7
81.03394	1.1
81.07034	3.1
82.06567	3.1
83.06110	10.6
84.04498	2.0
84.07719	1.2
84.08147	17.1
84.36497	0.9
86.09237	1.1
86.09715	16.3
87.04482	1.1
91.05475	5.1
93.07040	9.2
94.06576	12.0
95.04971	1.9
95.07368	6.3
95.08584	2.7
96.08134	14.8
97.06518	3.4
98.97552	2.0
103.05457	2.2
105.07009	3.3
106.06509	1.7
107.04961	6.6
107.07357	8.9
107.08507	1.1
108.08125	14.1
108.08843	1.4
109.06506	2.1
109.08844	1.6
109.10070	1.7
110.06054	1.3
110.07111	2.9
110.09688	26.7
110.10414	1.9
111.04436	1.3
112.07617	1.2
113.07122	1.2
115.05457	1.3
115.08659	1.1
116.07066	1.8
117.07011	4.1
119.07289	3.3
119.08572	2.0
120.08111	50.0
120.08904	1.7
121.08876	6.4
121.10166	1.2
122.06014	1.2
122.09673	53.9
122.10454	1.9
124.07575	3.1
124.08385	1.7
126.09139	2.0
129.10248	24.3
130.06528	1.1
131.07271	1.2
132.08066	3.8
134.09653	16.4
135.10478	1.3
136.06172	8.1
136.07539	3.1
136.12048	1.2
137.08353	2.2
137.09544	1.1
138.09138	100.0
138.12721	2.8
140.10660	2.0
141.05524	1.2
143.08487	0.9
145.08832	3.3
148.07550	6.7
149.09573	1.0
150.09096	6.5
150.10158	2.0
150.12750	5.3
152.10703	10.4
153.06792	1.1
157.06494	1.3
160.11183	6.6
161.97787	1.1
162.09212	1.3
165.07036	1.8
166.08644	10.4
166.12282	1.0
168.10207	6.6
169.04944	2.9
171.08057	1.1
178.12257	21.7
180.10188	1.0
181.06445	3.1
182.06892	4.1
183.08058	2.8
183.14862	2.7
188.10738	1.1
196.13307	31.1
197.05989	1.8
197.09569	1.7
197.12741	1.0
199.07553	6.7
206.11736	8.8
210.06604	1.9
211.07399	3.3
212.08389	1.1
214.14374	62.9
224.12779	12.8
225.08946	1.8
227.06883	4.6
228.07732	2.2
242.05540	1.0
242.09174	21.9
242.13844	53.2
242.19496	4.1
243.06413	1.5
243.10216	9.9
243.14238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63979	0.1
56.96568	1.8
59.88995	0.2
59.91796	0.1
61.50838	0.2
70.19102	0.2
70.19456	0.7
71.95255	0.5
82.99833	1.1
84.96048	0.2
98.97590	13.5
99.97919	0.4
100.97201	0.6
100.98025	0.4
101.00888	8.7
102.00977	0.2
110.97584	0.2
116.98631	5.2
117.10418	0.2
117.99039	0.2
119.01929	10.0
120.01970	0.2
122.97817	0.3
134.99724	1.5
136.99165	0.2
137.02971	1.0
140.98813	2.3
153.00876	0.2
155.00186	0.2
157.02028	0.3
158.99898	6.1
159.99998	0.2
164.98781	0.2
170.99654	0.2
173.01213	0.3
175.03041	0.4
177.00960	20.0
178.01097	0.5
179.99197	0.2
182.99835	1.5
183.01297	0.2
189.00697	0.2
197.02963	0.2
199.03085	0.3
201.00905	4.9
201.02411	0.4
202.01216	0.2
213.02492	0.4
215.04027	0.2
217.04111	3.5
219.02010	26.5
219.94504	0.7
220.02164	2.0
221.02536	0.2
225.00842	2.4
228.07780	0.2
234.00784	0.5
237.02972	0.3
237.95593	0.3
237.98764	0.3
242.03452	0.2
243.01994	13.6
243.10214	0.7
244.02182	0.3
259.13568	0.2
261.03064	100.0
262.03232	3.2
263.03436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.23843	1.0
53.03929	2.7
55.01872	3.0
61.02928	8.6
65.03944	7.6
67.05508	5.7
69.03429	3.5
69.59328	2.0
69.59728	6.1
70.06579	2.4
72.08162	2.4
77.03947	1.6
78.40373	1.4
79.05502	7.4
81.03382	1.6
81.07060	5.1
82.04196	3.3
84.04486	2.8
84.08159	5.5
85.02888	3.9
86.09695	4.9
87.36658	1.0
91.05485	17.4
93.03433	2.2
93.07037	2.2
94.04179	2.2
95.04959	15.4
95.08629	2.3
97.02891	2.8
97.06521	3.4
98.97601	2.6
105.03404	3.7
105.04494	1.4
105.06990	1.3
107.04950	10.2
108.02093	1.3
109.06526	13.8
109.10139	1.5
110.03645	4.3
111.04411	1.8
119.04959	7.0
119.08665	1.1
122.03642	1.6
123.04439	15.7
123.08076	1.3
125.02319	6.0
125.05993	2.6
133.02850	12.4
135.04416	4.2
136.05275	1.4
137.05980	24.4
139.03967	1.3
140.04691	100.0
141.06941	2.3
142.02570	2.7
147.04440	5.8
147.05452	1.3
152.04700	3.6
153.05457	4.2
154.07726	1.0
155.07036	82.6
159.04506	1.0
163.03922	3.7
164.37822	1.1
165.05524	18.8
165.06979	3.4
167.06973	2.0
169.05000	1.0
171.06506	3.3
171.07947	1.3
173.08115	5.0
179.07048	12.0
180.04190	16.4
181.04965	73.5
182.07188	1.4
183.06540	3.7
183.08125	3.7
184.03706	1.4
184.05215	2.2
192.04225	1.2
193.04962	25.9
195.06549	11.6
197.05980	4.2
197.08076	10.1
197.09737	2.4
203.02271	1.3
207.06531	23.1
210.06796	1.5
211.03929	1.8
211.07585	4.6
212.08318	2.2
215.07011	2.2
215.10770	1.1
225.07489	15.9
228.07806	2.5
243.06479	3.8
243.08318	4.1
243.10567	12.8
251.16713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03943	2.6
54.89235	1.2
55.01860	2.9
55.05515	2.0
56.96568	1.6
57.03435	1.7
61.02925	10.2
65.03941	9.6
67.05498	6.9
67.17333	1.2
69.03419	4.6
69.07073	2.0
69.46004	8.7
70.06583	5.5
72.08148	4.6
79.05505	6.3
81.03388	1.6
81.07070	6.6
82.04198	1.9
83.04979	2.2
84.04521	6.0
84.08159	10.1
85.02895	4.6
86.06075	1.5
86.09228	1.9
86.09711	16.7
88.72339	1.1
91.05481	23.2
93.03399	3.1
93.07056	1.9
94.04148	1.9
95.04965	14.0
95.08603	3.8
97.02882	2.8
97.06506	5.8
98.97567	5.4
99.00842	1.3
99.04513	1.5
102.05530	1.7
103.05482	1.7
105.03416	2.0
107.04953	11.1
107.08576	2.3
108.02114	1.6
109.02884	2.8
109.06520	14.1
109.10158	1.7
110.03663	3.8
110.07159	1.8
111.04432	1.6
115.05468	1.4
116.98505	1.3
119.04951	8.6
119.08504	1.4
119.41813	1.4
121.06491	2.0
121.10138	2.2
122.03635	1.8
123.04437	20.4
123.08059	1.3
125.02359	9.2
125.05997	3.6
129.10239	2.2
129.97591	1.2
132.10210	3.0
133.02856	10.5
133.06439	1.3
133.10097	2.3
135.04411	3.8
137.05977	22.1
138.03098	2.2
138.27905	1.4
140.04688	100.0
141.07034	1.3
141.09178	1.3
142.02594	1.8
147.04407	7.1
147.08058	1.4
149.02328	1.6
152.04710	2.6
153.05486	4.0
153.07005	1.3
155.07040	84.0
157.06438	1.4
158.99666	1.3
163.03925	3.6
165.01740	1.7
165.05502	17.9
165.06892	3.3
167.06981	1.7
169.06480	2.9
171.06516	3.2
171.07993	2.6
173.08095	3.2
177.00734	1.5
177.73505	1.2
179.07022	11.1
180.04163	12.9
181.04970	73.3
183.06516	4.0
183.08098	3.6
184.03702	1.6
184.05257	3.1
185.05992	1.4
187.07570	2.1
193.04974	27.0
195.06557	11.5
197.06006	6.0
197.08080	8.6
207.06535	25.8
207.13800	2.9
211.03879	2.4
211.07550	2.4
215.06992	3.8
215.10753	1.3
215.14073	1.5
225.07504	15.7
243.06509	12.3
243.08505	4.2
243.10306	6.8
243.13445	1.7
243.17494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
53.03925	1.2
55.01860	2.0
57.07064	0.7
65.03943	1.3
67.05483	1.2
69.03429	1.1
71.00123	1.3
71.00458	1.0
77.03947	1.0
79.05487	2.7
81.07039	2.0
90.76388	0.8
91.05482	41.0
91.11954	0.8
93.07028	1.8
95.04989	4.2
97.02907	1.2
99.04435	1.1
103.05456	1.3
105.07037	11.5
107.04961	14.3
115.05457	1.3
117.07040	1.3
119.04945	16.0
120.05698	2.3
121.02856	2.2
121.06512	31.6
123.04426	8.7
124.05222	2.1
125.05994	3.1
128.06245	1.0
129.07013	0.9
131.04884	1.4
133.06500	19.8
134.03616	1.7
135.04387	3.8
137.05971	2.8
141.06973	1.6
144.05766	1.0
145.06482	3.2
147.08020	2.1
149.05983	17.2
150.06808	3.7
153.06987	3.3
154.07753	1.5
155.08534	2.4
157.06453	2.0
159.08049	1.6
159.11673	0.9
165.05606	1.1
165.06998	16.3
166.07771	1.6
167.08537	2.4
169.06500	1.3
169.10202	0.9
173.05917	1.4
173.09604	0.7
177.06935	0.7
179.06168	0.7
179.08582	0.9
181.06436	4.6
182.07301	8.5
183.08064	9.5
185.06079	0.8
187.07513	1.2
192.05675	0.8
193.06468	2.6
194.07281	2.2
195.08049	2.4
197.05988	2.1
197.09604	7.6
199.07513	1.6
200.08284	1.1
200.31514	0.7
201.05466	3.0
201.09209	0.9
207.07939	1.3
210.06734	8.8
211.07593	11.5
212.08318	5.6
213.05566	1.6
215.08673	1.6
215.10683	2.4
225.09111	8.9
227.06935	1.8
228.07773	7.4
243.06711	3.6
243.10178	100.0
243.17375	2.3
243.21069	1.2
243.28809	2.6
244.10483	1.7
259.19937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	Cannithrene 1
Peak:m/z	Relative Intensity
50.79684	0.5
55.01864	0.6
58.95866	0.7
66.05409	0.5
67.84479	0.5
70.21201	2.4
72.06172	0.6
103.46182	0.6
115.05424	0.8
139.12428	0.5
141.06990	1.8
152.06200	1.1
153.06989	2.4
154.07753	4.4
155.08609	2.7
157.06477	1.3
165.07022	15.7
166.07838	2.8
167.08565	9.4
168.05693	1.0
169.06429	1.0
169.10086	1.3
179.08525	1.2
181.06543	3.1
182.07281	9.9
183.08055	12.6
187.07578	0.6
193.06355	0.8
193.07811	0.7
194.07280	2.0
195.08072	1.3
197.05968	1.3
197.09633	22.6
199.07574	0.9
200.08304	1.0
210.06796	7.0
211.05556	1.1
211.07555	21.6
212.08308	7.1
213.05397	0.8
215.08879	0.5
215.10715	3.2
217.22285	0.5
225.09125	23.6
226.09683	0.9
227.07085	1.2
228.07811	9.0
241.08633	0.7
243.10188	100.0
244.10561	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	243.1018
Annotation	4,5-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.02399	0.2
51.25656	0.2
51.46844	0.2
55.01869	1.3
55.05515	0.4
57.03441	0.2
57.07082	0.4
59.24800	0.2
65.03928	0.3
67.05495	0.6
69.07065	0.2
69.84944	1.2
76.13654	0.2
79.05495	0.4
81.07061	1.4
81.40195	0.2
83.92953	0.2
85.02895	0.5
91.05487	2.5
93.07038	0.5
95.04952	0.5
97.02937	0.3
98.21437	0.3
99.04449	0.3
100.26284	0.2
105.07036	0.9
107.04955	2.9
108.05293	0.6
109.06542	0.4
115.05471	0.9
115.87936	0.3
117.07031	0.7
119.04953	0.9
119.08619	0.4
121.06491	1.5
121.10207	0.3
123.04435	0.3
128.06216	0.4
129.07005	0.7
131.04909	0.6
131.08583	0.7
133.06512	0.8
135.04422	0.3
137.06020	0.5
141.06984	2.7
144.05719	0.8
145.06499	2.3
148.90662	0.2
149.06036	1.1
150.06792	0.3
152.06212	1.1
153.07025	3.1
154.07791	2.0
155.08559	2.9
157.06494	2.1
159.08046	0.9
159.11636	0.3
164.06184	0.3
165.07018	13.4
166.07805	1.7
167.08583	3.6
168.05713	1.1
169.06464	2.1
169.10150	0.6
170.07129	0.3
171.04456	0.9
171.08026	0.4
173.05975	1.1
173.13329	0.2
174.06731	0.3
175.07568	2.4
177.06996	0.9
178.07828	0.9
179.08565	1.6
181.06479	5.1
181.07944	0.4
182.07291	7.8
183.04512	0.4
183.08067	13.1
184.08644	0.7
185.05963	1.0
185.09641	0.4
187.07553	1.4
187.14844	0.2
192.05704	0.3
193.06253	1.6
193.07983	0.4
194.07298	1.2
195.08069	2.4
196.08856	0.6
197.06007	2.8
197.07802	0.6
197.09641	11.3
198.06676	0.3
198.10034	0.3
199.03862	1.2
199.07553	1.2
200.04617	0.4
200.08356	1.9
201.05487	0.8
201.09088	0.5
207.08063	0.4
209.05983	0.5
210.04745	0.4
210.06770	8.2
211.07549	20.4
212.08327	12.9
212.10422	0.3
213.05505	2.5
213.08891	0.5
214.06352	0.3
215.07079	2.0
215.10678	3.6
223.07567	0.3
225.05513	0.7
225.09114	13.1
226.06247	0.7
226.09763	0.8
227.07027	1.4
228.07809	11.3
229.08582	1.1
239.07033	0.3
241.08601	1.4
241.60158	0.2
243.06538	32.7
243.10178	100.0
244.06793	0.6
244.10533	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	243.1017
Annotation	4,5-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.19356	1.1
53.03948	2.4
55.01870	2.8
55.05504	2.0
57.03439	1.2
65.03913	1.1
67.05503	3.9
69.03416	1.2
70.67432	3.1
79.05489	4.2
80.60146	1.0
81.03413	1.2
81.07057	8.2
83.08636	1.6
84.08142	1.0
85.02958	1.2
91.05486	41.3
93.07047	4.0
94.04213	1.3
95.04967	5.1
95.08541	1.6
97.10182	1.1
100.11284	1.8
103.05495	2.3
104.79291	1.0
105.07042	14.9
107.04968	17.9
107.08598	2.0
109.06506	1.3
115.05460	2.2
119.04945	28.6
119.08585	2.5
120.05746	3.6
121.02850	3.2
121.06515	41.6
123.04438	9.9
124.05293	1.4
125.05988	3.6
128.06163	1.2
129.07025	1.2
131.04927	2.4
131.08606	2.1
133.06503	27.6
133.10127	2.2
135.04425	5.6
137.05966	3.9
141.05489	1.2
141.07025	3.1
144.05762	1.3
145.06490	4.1
145.10028	1.9
147.08067	2.9
149.05977	22.2
150.06761	6.6
152.06184	1.8
153.07053	5.8
154.07790	2.5
155.04939	2.1
155.08574	5.6
157.06505	2.8
157.10204	1.7
159.08061	4.3
159.14957	1.2
165.07022	22.6
166.07793	1.4
167.08595	2.1
168.05711	1.7
169.06493	3.0
171.04443	1.3
172.05202	12.3
172.08778	3.0
173.06052	1.4
173.13249	1.4
179.08507	1.6
181.06541	5.0
182.07291	7.4
183.08076	16.2
187.07547	4.7
187.11176	1.2
193.06412	2.4
194.07324	3.0
195.08087	1.2
197.05994	4.8
197.09637	9.4
198.06796	1.2
198.09091	1.2
199.07494	1.9
200.04663	3.1
200.08284	2.5
201.05469	1.8
201.16479	1.1
210.06837	9.2
211.07626	13.6
212.08315	5.1
213.05560	1.7
215.07085	2.1
215.10706	3.7
225.09129	11.7
227.07088	2.2
228.04184	2.7
228.07680	10.3
243.06735	13.6
243.10185	100.0
243.21095	4.6
244.10423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01873	0.8
55.05494	0.3
56.95203	0.4
57.03431	0.5
57.19139	0.3
60.78537	0.3
67.05486	1.1
69.07060	0.3
70.55931	0.8
70.56302	0.8
81.07067	2.6
85.02897	0.4
85.06541	0.4
91.05475	0.9
93.58086	0.3
95.08592	0.8
98.37810	0.3
107.04945	1.4
115.05466	0.4
117.48014	0.3
127.96028	0.3
128.06187	0.5
129.06993	0.7
131.04903	0.7
132.86983	0.3
133.10095	0.7
137.05981	0.4
141.06993	1.7
144.05713	0.4
145.06505	1.5
145.10123	0.6
147.04347	0.3
150.46559	0.3
152.06204	1.2
153.07004	3.5
154.07787	2.8
155.08563	3.7
157.06485	1.8
157.17680	0.3
159.08066	0.6
165.07007	16.0
166.07808	2.1
167.08557	4.2
168.05743	1.1
169.06480	1.1
169.10112	0.7
177.06900	0.7
178.07700	0.8
179.08551	1.3
181.06493	5.8
182.07285	9.1
183.08054	12.7
185.06075	0.8
187.07584	0.8
192.05692	0.4
193.06323	1.9
194.07193	1.8
195.08116	2.2
196.08850	0.8
197.05920	2.3
197.09627	11.0
199.07574	1.0
200.08455	1.7
201.09161	0.6
201.16466	0.4
209.06038	0.4
210.06793	8.5
211.07556	19.0
212.08325	12.1
213.05475	2.5
213.08818	0.6
215.07045	0.6
215.10674	3.7
225.09113	13.6
226.06226	0.9
227.07037	1.5
228.07813	11.4
229.08568	1.7
234.43036	0.4
239.07072	0.5
241.08617	1.2
242.05728	0.5
243.10173	100.0
244.10565	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	243.1018
Annotation	Coelonin
Peak:m/z	Relative Intensity
55.01863	0.9
69.35872	2.5
69.36292	2.7
72.67529	0.7
81.07033	1.0
85.02937	0.6
85.61243	0.6
91.05455	0.6
93.51582	0.7
125.32379	0.6
127.83850	0.7
141.06963	2.1
145.06441	1.0
151.25598	0.7
152.06296	1.0
153.07004	3.0
154.07797	2.0
155.08554	3.7
157.06500	0.8
165.07033	14.4
166.07782	1.1
167.08577	4.3
168.05695	1.1
169.06421	0.9
169.10138	0.9
178.07791	1.1
179.08609	1.0
181.06497	5.6
182.07269	8.0
183.08061	13.0
185.06133	0.7
193.06470	1.3
194.07291	1.8
195.08087	2.0
196.08714	0.6
197.05959	2.0
197.09653	13.8
199.07576	0.8
200.08304	1.0
210.06764	8.5
211.07558	24.4
212.08342	12.5
213.05525	3.6
213.08963	1.1
215.10802	3.8
225.09123	14.9
226.09854	0.7
227.07018	2.0
228.07771	11.9
229.08505	1.1
239.07098	0.9
241.08621	1.3
243.10172	100.0
244.10469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.67961	0.7
55.01868	1.4
55.05500	0.7
58.46629	0.7
63.13284	0.7
64.82022	0.6
67.05515	0.9
69.21659	4.7
69.22077	2.9
81.07046	1.0
91.05509	1.4
91.24592	0.8
102.92185	0.9
105.07011	0.7
121.06502	1.0
141.06979	2.0
143.08470	0.8
145.06509	1.2
153.07007	2.9
154.07806	3.8
155.08565	2.8
157.06488	2.4
165.07005	15.0
166.07706	1.4
167.07341	1.0
167.08575	5.0
168.05716	1.1
169.06468	1.1
170.15523	1.6
178.07898	0.7
179.08546	2.1
181.06511	4.7
182.07262	6.9
183.08066	13.6
194.07251	2.1
195.08064	2.4
196.08946	0.9
197.05959	1.6
197.09633	14.0
198.14879	1.8
199.07449	0.9
200.08109	1.5
210.06767	7.2
211.07553	18.6
212.08298	10.4
213.05487	2.4
213.09113	0.8
215.10564	2.5
225.09106	16.7
226.09734	1.3
227.06836	1.1
228.07635	14.4
229.08231	0.8
242.09026	0.8
243.06294	3.1
243.10143	100.0
244.10406	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	243.1018
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.36222	0.3
55.01866	0.9
55.05504	0.4
67.05499	0.9
68.09997	0.3
69.07062	0.4
69.77145	0.7
69.77545	1.2
71.21352	0.3
79.05484	0.4
81.07053	1.4
85.02905	0.5
85.77787	0.3
87.87394	0.4
91.05480	1.2
93.07008	0.3
95.08604	0.6
98.21420	0.5
105.07021	0.5
107.04944	1.1
115.05446	0.6
117.07021	0.4
119.08637	0.4
128.06235	0.3
129.06981	0.9
131.04979	0.6
141.06992	2.9
145.06514	1.8
145.10091	0.6
147.11642	0.4
149.13406	0.3
152.06171	1.6
153.06999	4.5
154.07805	2.3
155.06142	0.4
155.08563	4.2
155.93062	0.3
157.06522	1.9
159.08023	0.5
159.11674	0.6
165.07010	17.6
166.07816	1.6
167.08571	3.3
168.05731	1.8
169.06445	1.3
169.10098	0.6
171.04401	0.4
172.08902	0.4
173.06047	0.5
177.07042	0.5
178.07733	0.6
179.08493	1.6
181.06479	5.6
182.07272	7.9
183.08073	17.7
184.08652	0.6
184.96477	0.3
185.06001	1.3
185.09599	0.7
187.07501	0.6
193.06296	2.3
194.07294	1.3
195.08075	2.3
197.05946	2.5
197.09637	11.4
198.06714	0.6
199.07593	1.7
200.08305	1.8
201.05565	0.3
201.09052	1.0
207.08073	0.5
209.06049	0.4
210.06786	8.3
211.07552	28.1
212.08330	17.8
212.10451	0.4
213.05475	4.0
213.08813	0.5
214.06131	0.5
215.06984	0.5
215.10635	2.8
223.07497	0.4
225.05687	0.5
225.09106	14.0
226.06229	1.1
226.09601	0.6
227.07030	2.8
228.07819	16.7
229.08476	1.0
239.07022	0.4
241.08595	2.0
243.10178	100.0
243.21257	0.8
244.10587	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1019
Annotation	4,5-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.73756	0.6
55.01860	1.2
55.05511	1.0
56.48786	0.6
57.03428	0.9
57.07076	0.9
60.72031	0.7
67.05489	2.5
69.07069	0.8
70.32977	0.8
70.33326	1.9
70.73974	0.6
72.97775	0.6
79.05508	1.2
79.06596	0.6
81.07060	5.8
83.08672	0.7
85.02921	0.7
91.05475	2.9
93.07044	0.8
95.08572	1.2
105.07037	1.6
107.04926	1.7
107.08619	1.0
109.10161	1.1
115.05459	1.0
117.07007	0.9
119.04958	1.1
119.08491	0.9
121.10149	1.0
123.11719	0.9
129.07036	0.9
131.05037	0.7
131.08566	1.4
133.10130	1.8
137.06007	0.8
141.07013	3.4
145.06465	2.0
145.10129	1.2
147.11725	1.4
149.05927	1.0
152.06169	1.3
152.21721	0.6
153.07050	3.6
154.07768	4.6
155.08591	3.9
157.06506	1.0
159.08078	0.9
159.11678	1.4
165.07004	15.3
166.07741	1.3
167.08607	5.6
168.05798	0.6
169.06538	1.5
169.10133	1.4
173.06027	1.8
173.13235	1.1
175.81178	0.6
177.06984	0.9
178.07779	0.8
179.08499	1.7
181.06516	4.6
182.07272	7.9
183.08064	14.1
185.05980	1.1
187.07590	0.9
187.11142	1.0
187.13255	0.7
187.14813	1.0
193.06439	1.4
194.07332	1.5
195.08115	2.2
197.05980	1.9
197.09634	16.8
199.07498	0.8
200.04692	0.9
200.08197	1.6
201.16243	0.8
207.30275	0.7
210.06767	7.3
211.07558	22.2
212.08334	11.6
213.05461	3.3
213.09102	0.7
215.06982	1.2
215.10686	4.9
223.07634	0.7
225.09113	19.3
225.16579	0.9
226.09557	0.8
227.07045	1.9
228.04271	1.5
228.07823	11.2
241.08594	1.1
241.26054	0.6
243.06776	6.1
243.10181	100.0
243.21106	3.2
244.10443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	4,5-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03967	0.2
53.40001	0.2
55.01875	1.2
55.05500	0.2
67.05497	0.8
68.99829	0.3
71.04950	0.4
71.48299	0.4
78.16438	0.3
79.05492	0.4
81.07051	1.0
85.02885	0.5
87.46880	0.2
91.05489	1.5
93.07047	0.4
95.08601	0.4
105.07038	0.6
107.04981	0.8
109.10172	0.3
115.05459	1.0
117.06969	0.6
119.04953	0.4
128.06256	0.5
129.07007	0.6
131.04916	0.4
131.08569	0.5
133.10107	0.4
137.06006	0.6
141.06998	3.2
144.05782	0.3
145.06519	1.7
145.10173	0.3
149.06004	0.9
152.06218	1.5
153.06987	4.4
154.07776	2.6
155.06044	0.4
155.08568	6.0
155.09735	0.2
157.06516	1.2
158.07201	0.5
159.07916	0.4
159.11621	0.3
165.07008	19.3
166.07802	1.7
167.08548	4.8
168.05740	2.3
169.06525	1.2
169.10136	1.0
171.08156	0.4
173.06061	0.3
173.13222	0.4
177.06978	0.5
178.07779	0.8
179.08420	1.3
181.06454	4.5
182.05710	0.4
182.07289	6.9
183.08066	23.1
184.08464	0.6
185.06042	0.7
186.06592	0.3
187.07634	0.5
192.05785	0.3
193.06314	2.3
194.07268	1.6
195.08061	1.6
196.08788	0.6
197.06024	2.2
197.09616	13.1
198.06737	0.4
198.09100	0.8
199.07542	1.0
200.08250	1.4
201.09091	0.7
207.08017	0.4
209.06152	0.5
210.06764	9.0
211.07552	42.2
212.08322	12.9
213.05444	2.8
213.08995	0.8
214.06131	0.5
215.07092	0.5
215.10661	2.8
223.07529	0.5
225.09109	13.7
225.94769	0.3
226.06215	0.6
226.09698	0.4
227.07008	2.1
228.07826	12.7
229.08533	0.7
239.07034	0.3
241.08649	1.3
242.05852	0.5
243.10172	100.0
243.21153	0.7
244.10478	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	243.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.8
55.05500	7.6
57.07076	2.9
67.05185	1.9
67.05514	18.0
69.07063	7.2
70.06576	2.4
72.99464	1.8
79.05502	10.6
81.07064	23.9
83.08629	3.7
91.05493	17.3
93.07052	14.7
95.08631	16.8
101.21758	1.7
105.07030	21.2
107.08620	10.4
109.10181	10.2
117.07051	10.8
119.08607	15.7
121.10149	12.8
123.11695	2.8
129.07025	2.4
131.08580	31.0
133.10153	17.8
135.11699	9.0
141.07008	2.2
145.10118	27.2
147.11714	16.4
149.13264	4.8
154.07643	2.6
155.08511	2.8
157.10126	3.3
159.11710	23.3
161.13304	13.5
165.07050	6.9
167.08565	3.5
169.10190	2.0
171.11784	2.9
173.13240	24.3
175.14842	2.9
182.07271	5.2
183.08086	6.2
185.13335	2.4
187.14853	14.9
196.18555	1.6
197.09642	6.7
201.16347	7.5
205.40826	1.6
210.06674	2.7
211.07593	13.2
212.08267	5.1
215.07062	2.6
215.17874	2.7
225.09099	6.5
225.16342	1.9
228.07741	5.9
228.88110	2.3
243.06555	15.9
243.10178	48.5
243.12834	2.5
243.13910	2.6
243.17455	3.4
243.21111	100.0
243.28790	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	244.0931
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
52.61913	0.7
56.96570	26.4
57.03439	2.7
58.06623	0.9
60.95845	0.9
61.02922	2.5
69.03442	3.6
69.79692	1.5
69.80105	1.9
70.06599	13.2
70.98125	2.9
71.04996	0.8
71.95262	6.3
72.08160	100.0
72.96060	1.6
73.02903	3.4
79.10370	0.7
81.03416	0.8
84.04489	0.6
84.08149	11.5
84.96048	2.6
85.02912	5.1
86.09739	1.2
87.04494	1.1
87.83749	0.7
88.99152	0.8
95.02464	3.1
97.02928	4.4
98.20835	0.7
98.97594	27.3
99.04453	1.0
99.97960	1.1
100.99145	1.2
101.00891	3.2
102.05560	3.5
103.11124	0.6
107.04984	2.2
109.33440	0.7
110.09693	9.2
110.97583	2.2
112.05098	94.4
112.99144	2.8
113.00919	0.8
113.03489	2.5
113.05457	0.8
113.88416	0.7
115.00672	1.5
115.02394	0.9
116.07087	2.1
116.98626	8.8
119.01917	3.4
124.07628	0.8
124.95471	4.9
125.92046	0.7
127.00694	1.0
127.02387	1.2
127.03921	1.9
127.12319	1.0
128.98616	1.7
129.10233	1.9
130.05003	2.0
131.00174	2.3
131.01904	1.2
133.04987	1.1
134.99680	2.0
140.07062	1.8
141.03128	0.8
141.04823	0.9
142.96541	4.1
143.00168	0.8
143.01888	3.0
145.01736	2.2
145.03488	1.3
146.99678	2.0
147.11269	1.0
148.54071	1.2
150.03540	2.3
152.05669	0.7
152.94962	1.8
153.55881	1.1
154.03848	4.5
155.01930	1.4
156.06566	1.2
156.98116	0.9
158.08150	14.1
158.99718	1.3
160.97585	1.3
161.02977	3.1
163.02832	3.3
163.04404	10.4
170.96027	8.6
170.99667	1.2
173.02946	1.6
173.09268	1.3
174.99185	2.2
175.10834	3.9
178.04938	1.5
184.97618	1.6
185.02916	1.3
187.00316	1.6
188.97079	12.6
189.00719	1.1
201.00691	0.8
202.98605	4.4
203.03854	0.9
205.03752	1.0
206.98181	4.1
211.98689	0.9
220.99702	2.1
221.05046	1.5
227.13942	7.9
235.06598	1.0
244.06882	1.2
244.14067	1.1
244.16582	19.1
245.05086	3.5
262.03235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68248	0.5
55.01874	1.2
55.05515	0.7
56.05040	0.7
56.96566	75.6
57.03436	2.6
60.95860	0.6
61.02927	1.6
68.96581	0.6
68.98292	1.2
69.03429	2.8
69.07096	0.7
69.78218	3.0
69.78535	0.6
70.02956	1.4
70.06596	3.4
70.98123	15.4
71.01355	0.9
71.05000	0.5
71.95265	19.0
72.08157	18.6
72.96043	8.3
73.02921	1.7
73.08496	4.5
74.06059	0.7
74.97606	1.0
81.03419	1.1
82.99843	2.6
83.04955	0.8
84.04509	1.0
84.08140	9.6
84.96030	5.6
85.01366	0.6
85.02906	3.6
86.06105	0.5
86.09698	5.3
87.04465	0.7
88.99152	2.5
94.99869	0.6
97.01444	0.7
97.02898	3.5
97.96806	0.8
97.99210	1.1
98.20825	0.7
98.97585	100.0
101.00881	15.7
102.96893	1.3
107.04968	1.6
109.22084	0.6
110.09689	1.7
110.97559	3.9
112.05089	4.1
112.99133	2.7
113.00860	3.2
113.03487	9.5
113.04734	0.6
113.05428	2.8
115.00691	1.6
115.02451	1.8
116.98622	36.9
119.01921	17.3
124.95480	22.6
124.99121	1.3
126.97039	0.8
127.00701	0.8
127.02443	2.6
127.03968	1.4
128.98590	4.8
129.03963	0.6
129.10228	2.9
130.08640	0.6
131.00197	2.7
131.01907	5.0
131.96201	0.8
133.01743	0.9
133.03447	2.1
133.04919	0.8
134.99646	9.3
137.00844	0.7
137.02997	1.7
139.02483	1.0
140.00162	0.6
140.98599	1.1
142.96529	15.4
143.00165	1.3
143.01891	13.2
144.98082	1.5
145.01715	1.7
145.03484	5.4
145.04628	0.6
145.04994	0.6
146.99657	4.5
147.01341	0.6
149.01251	2.0
150.98169	0.6
151.40128	0.5
152.05734	1.2
152.94948	7.9
153.00587	0.6
154.54037	0.5
155.01888	5.3
156.02686	0.8
156.98079	3.0
157.02151	0.8
157.03499	6.2
157.06622	0.6
158.08150	2.8
158.99646	1.8
159.08437	1.0
160.02634	0.6
160.97588	4.5
161.02963	21.0
162.99089	0.7
163.02928	0.6
163.04466	0.9
163.54579	0.6
165.00761	1.3
167.01892	1.1
168.99245	2.0
169.03432	1.1
170.96017	32.1
171.04951	1.0
172.97617	1.9
173.01292	0.9
173.02960	6.5
174.99133	10.8
175.04523	3.0
175.10858	0.6
177.00725	1.7
179.01917	0.7
184.97585	10.3
185.01331	1.0
185.02928	6.4
187.00330	4.6
187.04536	3.4
188.97070	53.6
189.97443	0.9
190.98718	1.5
191.02400	0.6
191.04070	0.9
193.00200	5.4
193.01756	0.9
197.02899	2.9
199.04454	1.8
202.98645	20.5
203.02303	1.7
203.04025	5.7
203.07077	0.7
205.01460	1.0
206.98128	17.6
207.01775	1.3
211.01352	0.6
212.97075	1.7
214.98686	1.0
215.04077	1.6
217.00226	1.2
217.05542	2.1
219.01726	0.9
220.99678	10.9
221.03229	1.0
221.05112	4.7
227.03957	1.1
227.13881	1.2
228.14168	1.4
230.98108	7.6
239.00725	1.6
244.16576	1.7
245.05066	24.3
245.16893	2.2
248.99176	2.2
263.06128	2.2
263.08881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
56.96567	20.2
58.06117	3.1
61.02930	4.4
68.98286	3.4
69.03438	8.5
69.86198	9.6
70.06596	6.8
70.56738	2.4
70.99866	3.1
72.08162	24.9
72.62100	2.9
73.02905	7.1
73.08470	5.1
79.34048	2.8
81.57353	2.6
82.99859	10.1
84.04484	3.2
84.08133	9.2
85.02905	13.6
97.02899	9.3
98.97610	19.1
100.11256	2.9
101.00886	54.8
103.02404	3.0
107.04228	5.6
107.04954	100.0
108.05310	3.2
110.97571	4.1
112.05093	12.1
113.00873	15.2
113.05437	8.1
115.02438	3.2
116.98623	8.2
119.01923	37.6
124.95507	4.2
127.02442	7.7
127.03942	4.8
129.10249	6.7
131.01926	16.7
133.03377	4.1
134.99622	3.7
137.00937	3.7
139.02335	3.9
142.96571	3.4
143.01900	32.6
145.03461	14.1
153.03964	4.0
154.54866	4.9
155.01869	32.7
157.03448	15.1
158.08167	5.6
161.02948	33.0
163.04448	3.8
167.01945	10.3
169.03448	3.8
170.96028	3.8
173.03000	28.4
179.01913	4.1
185.02948	36.7
187.04572	5.8
188.97049	7.2
197.02974	11.9
202.98569	3.1
203.03983	16.7
206.98198	4.2
221.05051	14.8
227.04105	4.4
245.05112	38.2
254.91844	3.7
260.38940	3.4
263.06342	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18667	0.3
55.00954	0.4
56.96555	1.0
60.37132	0.4
60.95847	0.5
68.98277	0.7
69.03421	1.0
70.99577	0.5
75.94553	0.3
81.03408	0.9
82.99820	2.3
84.99568	0.5
86.99281	0.6
96.59466	0.4
97.01376	0.4
97.02895	2.4
98.97583	1.9
99.04440	0.5
101.00883	20.3
102.00992	0.9
102.96870	4.7
103.00648	3.7
103.02442	0.6
107.08635	0.4
113.00870	3.3
114.39799	0.4
115.02425	1.5
116.98608	0.6
118.98662	0.4
119.01922	24.5
120.02028	1.2
120.97900	2.2
121.01676	5.0
121.02467	0.5
127.02425	1.3
129.04012	0.7
131.01924	4.3
131.05507	0.8
133.03462	1.1
137.02969	2.7
139.02538	1.2
142.98605	1.6
143.00197	0.6
143.01903	15.2
145.03452	5.2
147.01387	0.6
155.01866	4.5
156.02632	0.4
157.03462	6.5
159.01463	0.7
159.05055	0.4
159.39243	0.4
160.99649	4.1
161.02963	28.2
162.03143	0.7
163.04553	0.9
167.01895	1.0
169.03479	1.5
171.04991	0.6
173.02969	6.0
174.03238	0.4
175.04544	3.5
177.00948	1.1
177.02696	0.5
178.01070	1.3
179.00694	18.6
179.03999	0.6
180.00781	0.5
181.03426	0.4
184.04491	0.5
184.99658	1.5
185.02965	6.9
187.04501	3.3
189.06038	0.8
190.95367	0.4
191.04054	1.1
197.02980	4.1
199.00793	0.7
199.04486	1.4
203.00732	4.2
203.04004	7.1
215.04044	1.8
217.05533	1.3
219.01944	0.7
219.03793	3.2
220.02177	0.5
221.01765	25.3
221.05193	1.2
222.01985	0.7
223.02138	0.5
227.00603	2.1
227.04039	1.3
233.05086	0.7
243.27034	0.3
245.01840	11.9
245.05067	28.9
245.12137	2.5
246.05406	0.5
255.23433	0.5
263.02878	100.0
263.05997	4.2
264.03027	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01864	2.3
56.75917	1.1
56.96569	39.7
57.03425	4.4
58.99866	2.4
61.02921	4.6
66.93533	1.0
68.98282	3.7
69.03433	10.2
69.43492	5.6
69.43904	2.0
70.06588	3.2
70.98108	7.1
70.99858	4.4
71.95269	10.2
72.08151	7.9
72.96048	2.2
73.02911	4.9
73.08492	2.1
77.00904	1.3
77.06013	1.1
79.05488	1.3
81.03428	5.6
82.99826	16.6
84.04462	1.4
84.08150	11.4
84.96031	4.1
85.02906	14.1
86.03233	1.1
86.06055	1.7
86.09710	4.2
86.99323	3.2
87.04493	1.5
88.03986	1.8
88.99187	1.6
91.05493	1.2
92.80906	1.1
94.99834	2.7
95.02551	1.8
95.04941	2.1
97.01402	3.1
97.02895	15.7
98.97594	49.6
99.04447	2.9
101.00888	100.0
102.00930	2.8
103.00639	2.7
103.02427	2.6
107.04965	62.5
108.05312	1.6
109.01450	1.3
109.02898	2.3
110.97581	3.4
111.02930	3.0
112.05092	4.6
113.00875	20.8
113.03484	3.3
113.05427	5.3
114.00977	1.5
115.02448	9.1
116.98621	18.8
117.02142	1.1
118.01099	1.7
119.01929	92.9
120.02004	1.5
121.01671	1.6
124.95485	11.0
125.00854	3.6
126.97002	1.1
127.02419	16.3
127.03932	3.3
128.98621	4.0
129.00348	2.7
129.04001	3.6
129.10233	5.8
131.00220	3.3
131.01910	29.7
132.03439	1.3
133.01620	2.3
133.03474	8.9
134.99684	4.1
136.07643	1.2
137.00842	4.3
137.02939	5.4
139.02420	7.1
140.04079	1.3
141.03955	2.7
142.96536	7.4
143.01904	65.0
144.02019	1.6
145.01735	1.4
145.03468	30.2
146.03593	1.6
146.99632	3.1
147.01425	5.3
147.05006	2.3
149.01187	3.9
149.02971	1.7
149.04463	2.7
151.04538	1.2
152.94952	3.5
153.03906	1.6
154.04782	2.3
154.54956	6.9
155.01904	42.8
155.04581	4.0
156.02002	2.1
156.98145	1.2
157.03479	30.7
158.03679	1.4
158.99675	1.8
159.01352	1.8
159.05051	4.2
160.97563	1.9
161.02968	74.9
162.03049	2.6
163.02753	2.4
163.04495	5.2
163.55518	1.9
164.04626	1.5
165.00732	1.3
167.01906	21.2
169.03491	7.2
170.96053	14.5
171.05095	6.0
173.02974	41.2
173.06593	4.7
174.03137	4.6
174.99182	4.5
175.04539	10.9
177.02412	1.3
179.01939	9.0
183.05154	3.5
184.97607	5.0
185.02968	69.5
186.03145	2.1
187.04550	13.9
188.97092	25.9
190.98698	1.5
191.04015	3.4
191.07693	1.4
193.00233	3.0
197.02986	25.5
199.00864	1.3
199.04559	3.7
201.06119	3.8
202.98712	8.8
203.02254	1.1
203.04022	30.8
205.05577	3.0
206.05511	2.3
206.98175	6.7
207.05194	2.5
209.03040	2.1
213.02454	1.6
215.04076	9.4
215.06036	1.5
217.05557	6.6
220.99730	6.0
221.05038	19.9
222.05255	2.5
227.03955	5.1
230.98109	3.1
233.05112	1.6
240.06163	1.3
245.05086	93.4
245.16916	1.7
246.05151	2.2
248.99136	1.8
263.06134	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	245.0811
Annotation	Eriobofuran
Peak:m/z	Relative Intensity
50.08510	0.4
59.04992	1.0
62.68282	0.4
69.89694	2.3
71.87775	0.4
73.81287	0.4
81.07029	0.8
84.95372	0.4
91.05486	1.2
93.07031	0.9
95.08584	0.5
96.45334	0.5
97.10130	0.5
98.21537	0.4
103.05455	0.7
105.07032	1.1
107.04930	0.5
115.05458	1.5
117.20542	0.5
119.08584	0.8
121.06499	1.2
128.06238	6.8
129.07019	1.4
130.07703	0.4
131.04890	0.6
133.10121	0.8
137.05968	0.7
141.07014	2.5
142.07750	0.6
143.04935	0.5
143.08568	1.4
144.05696	1.7
145.10129	0.8
147.04393	0.7
147.11676	0.6
151.07547	1.0
155.04927	3.0
155.06010	0.7
156.05719	3.1
157.06516	3.4
158.07332	3.1
169.06467	1.2
170.07254	6.6
171.04396	1.6
171.08061	27.4
172.05147	0.5
173.05969	0.6
173.09686	1.0
175.03883	1.4
175.07594	0.5
184.05183	0.9
185.05952	5.2
186.06760	8.1
187.03912	1.1
187.07498	0.6
189.09096	0.7
189.11276	0.5
199.07549	2.0
199.14830	0.5
200.04794	0.9
200.08319	8.7
201.05492	11.7
201.09116	7.6
202.06253	1.7
203.07047	1.5
212.04787	0.7
213.05534	1.3
215.06970	1.1
217.08525	0.5
227.07069	0.9
227.18045	0.7
229.05016	0.7
230.05757	35.4
231.06197	0.7
245.08112	100.0
245.19006	1.7
246.08463	1.2
262.53659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
53.03947	5.1
55.01870	0.8
55.05503	1.2
67.05465	0.7
68.75759	0.5
69.03397	0.5
69.16975	2.9
69.17408	2.3
70.06596	0.6
77.03940	1.7
79.05498	4.0
81.03436	0.7
81.07069	1.0
86.09718	2.3
91.05487	23.7
93.07050	24.3
95.04974	5.5
97.10143	0.6
98.21486	1.1
102.04760	0.6
103.05469	21.7
105.04513	2.0
107.04957	17.3
108.05721	2.6
109.06523	2.6
118.04156	1.7
119.04948	2.4
121.06509	100.0
123.04443	0.9
123.08083	6.0
125.06007	1.6
128.29907	0.6
129.96820	0.6
133.06506	4.8
135.05511	0.8
136.05203	4.8
137.05986	47.7
138.06772	3.1
139.07527	1.9
151.07550	56.9
157.06532	0.6
177.51685	0.5
185.09589	1.0
193.29453	0.5
212.08228	0.6
213.09161	2.8
227.10646	1.0
228.10143	0.7
245.04451	1.2
245.11745	51.4
246.11865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1175
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01861	1.5
55.05512	2.0
57.03436	0.9
67.05496	1.1
69.03405	0.8
69.07064	0.9
70.04920	1.5
72.72240	0.4
79.05481	1.1
81.07053	2.2
83.08620	0.8
91.05485	3.1
93.07037	2.7
95.08604	0.9
97.10168	1.7
103.05473	1.3
105.07030	1.6
107.04958	2.2
107.08611	1.4
109.06528	0.4
109.10166	0.8
115.05448	0.6
117.07009	0.8
119.08577	1.6
121.06513	5.5
121.10058	0.4
123.08092	0.6
125.09648	2.2
128.06197	0.6
129.06998	0.7
131.08577	1.2
133.10118	1.4
135.54123	0.4
137.05983	2.9
138.06741	0.4
141.07021	0.6
142.03206	0.8
143.08498	1.0
145.06502	0.8
145.10126	1.0
147.08087	0.7
147.11705	0.9
151.07538	4.2
151.09441	0.6
157.06508	0.5
157.10138	0.8
158.07207	0.6
159.08009	1.4
159.11688	0.6
161.06001	1.5
169.06477	1.0
170.07234	0.6
171.08080	1.8
171.11649	0.6
172.08832	0.5
173.05986	1.1
174.06789	1.0
175.07578	1.7
176.08337	0.4
177.09085	0.5
181.06520	0.5
183.00629	0.4
183.08025	0.5
185.05981	0.6
185.09624	1.4
185.13188	0.5
186.10429	0.8
187.07504	2.9
188.08331	7.4
189.09125	2.2
189.11224	1.7
195.08083	1.1
196.08830	1.1
197.05984	1.3
198.06747	0.4
199.07547	1.5
199.11267	0.5
199.87857	0.5
201.09042	2.2
202.09900	3.4
203.10667	5.9
212.08316	2.2
213.09116	1.5
214.09937	3.5
215.07112	0.7
217.08763	0.8
217.12273	3.7
227.10747	3.5
227.14380	0.5
229.08554	0.9
230.09407	6.0
245.11739	100.0
245.18750	3.4
246.12082	1.8
246.24384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1176
Annotation	Batatasin III
Peak:m/z	Relative Intensity
50.63680	0.4
52.89280	0.3
53.03937	1.2
55.01863	1.1
55.05519	1.6
56.96563	0.5
57.03421	0.6
67.05499	1.2
69.03439	0.5
69.07060	0.5
69.34856	2.1
71.04995	0.3
73.79828	0.4
74.70931	0.3
77.03918	0.4
79.05498	1.9
81.07049	1.2
83.04981	0.8
83.08612	1.1
91.05487	7.4
93.07044	7.1
95.04974	0.8
95.08630	0.7
97.10160	1.8
98.21537	0.6
103.05470	6.3
105.04453	0.5
105.07042	1.9
107.04958	5.4
107.08595	1.2
108.05737	0.4
108.60418	0.4
109.06496	0.7
109.10162	0.4
115.05458	0.4
117.07051	0.6
119.04964	0.7
119.08569	0.9
121.06516	24.4
121.10087	0.6
123.08074	1.2
125.06015	0.5
125.09624	2.0
128.06235	0.5
129.06999	1.2
131.04907	0.5
131.08591	0.7
133.06451	1.0
133.10123	1.0
135.07971	0.5
135.11693	0.6
136.05185	0.9
137.05986	11.8
138.06708	0.8
139.07588	0.4
141.07014	0.6
143.08536	1.0
144.05717	0.3
145.06488	0.7
145.10130	0.8
147.11629	0.4
151.07553	14.2
152.16736	0.3
157.06454	0.6
157.10107	0.8
158.07265	0.6
159.04268	0.4
159.08029	0.9
159.11688	0.5
161.05994	3.3
161.09625	0.6
163.07607	0.4
165.06911	0.4
167.08667	0.4
169.06487	1.1
171.08060	0.6
171.11729	1.0
173.05882	0.4
173.09587	0.4
174.06670	1.0
175.07526	1.6
176.08325	0.9
177.09236	0.6
181.06496	0.4
184.08888	0.4
185.05893	0.4
185.09633	1.2
185.13326	0.4
186.06795	0.6
187.04007	0.5
187.07558	4.9
188.08322	0.7
189.09131	1.5
189.11227	1.4
194.16919	0.4
196.08894	0.4
197.06000	1.3
199.11218	0.9
199.14865	0.6
201.05673	0.5
201.08984	2.0
202.06299	1.7
202.08092	0.6
202.09866	2.5
203.10576	0.6
212.08368	2.4
213.09207	1.7
214.09843	0.4
215.07051	2.6
217.05106	0.4
217.08522	0.8
217.12198	0.8
227.10622	1.4
227.17882	0.9
229.08644	1.5
230.05734	0.9
230.09392	11.8
238.91238	0.4
245.08197	5.1
245.11746	100.0
245.18665	2.3
246.12033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
51.02375	0.8
53.03749	0.5
53.03949	5.2
55.01876	1.2
56.85859	0.4
70.00387	1.0
70.00762	0.8
77.03937	1.9
79.05488	3.0
81.03398	0.8
91.04913	1.1
91.05486	19.7
93.07049	21.5
95.04971	4.7
103.05476	20.6
103.34311	0.5
105.04542	2.8
105.05170	0.4
105.07007	0.6
107.04961	18.6
108.05769	2.9
109.06521	2.9
118.04165	1.4
119.04957	2.1
121.06512	100.0
122.06830	0.8
122.75586	0.6
123.08073	6.1
125.05952	1.2
127.11351	0.5
133.06493	3.6
135.05592	1.2
136.05196	4.4
137.05983	51.8
138.06801	2.4
139.07501	1.9
151.07553	58.6
156.71091	0.5
185.09586	0.6
187.98340	0.5
192.88843	0.6
198.39764	0.6
198.44437	0.6
213.09076	2.7
217.14064	0.5
223.51691	0.5
227.10660	1.2
245.11754	52.4
246.12103	0.9
246.24306	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	245.1174
Annotation	Batatasin IV
Peak:m/z	Relative Intensity
50.66232	0.3
53.03942	4.1
55.01862	1.4
55.05501	0.5
60.38306	0.4
65.03928	0.8
67.05496	1.0
67.15704	0.4
69.03413	0.3
69.30003	2.2
69.30407	0.7
77.03912	1.7
79.05495	2.8
80.06303	0.4
81.03419	0.6
81.07050	1.2
86.09700	0.6
91.05480	23.9
93.07043	25.9
94.04173	0.6
95.04968	5.5
95.08601	0.7
103.05466	22.3
105.04517	3.0
105.07037	1.4
107.04956	21.2
107.08620	0.5
108.05847	2.3
109.06522	3.4
118.04147	1.5
119.04946	3.1
119.05755	0.4
119.06023	0.3
119.08587	0.4
121.06502	100.0
122.06820	0.8
123.04436	0.5
123.08063	4.8
125.05995	1.2
128.06079	0.4
129.07002	0.5
133.06485	3.2
135.05516	0.5
136.05194	4.1
137.05977	49.9
138.06805	3.3
139.07524	1.8
142.03156	0.4
147.11710	0.5
151.07542	58.9
152.07880	0.7
157.06473	0.5
163.16905	0.4
171.08118	0.5
185.09648	1.4
185.13304	0.4
187.07457	0.4
195.08020	0.4
199.07542	0.4
199.11148	0.6
213.09102	2.6
227.10678	1.1
230.05743	0.5
245.08234	1.9
245.11743	51.0
245.22635	0.7
246.12015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
51.02376	0.8
51.98168	0.4
52.09638	0.4
52.51466	0.4
53.03953	3.8
53.82862	0.5
55.01871	1.5
55.05505	1.3
63.04751	0.5
65.03936	0.9
67.05508	1.1
68.04318	0.5
69.07044	0.9
71.03115	0.7
71.03448	0.5
77.03929	2.0
79.05491	4.3
81.03413	1.1
81.07055	2.1
86.09699	1.2
91.05479	23.4
93.07045	25.9
95.04971	4.8
95.08585	1.3
97.10155	0.6
103.05467	22.4
105.04520	1.6
105.07030	5.7
107.04957	19.0
107.08579	1.5
108.05737	2.2
109.06532	3.2
109.10133	0.6
118.04124	1.2
119.04939	2.7
119.08604	1.4
120.04404	0.6
121.06505	100.0
122.06834	0.6
123.04426	1.0
123.08078	5.6
125.05991	1.3
126.09659	0.5
131.08598	0.7
133.06508	4.1
133.10121	0.9
135.04463	0.5
135.05531	0.8
136.05199	4.3
136.57652	0.4
136.79810	0.4
137.05980	47.4
138.06795	3.7
139.07552	1.8
141.06992	0.6
143.08572	0.8
145.10179	0.9
147.07983	0.8
147.11679	0.6
149.13271	0.6
151.07545	57.7
152.07872	0.6
157.06485	0.6
157.10123	1.2
159.11777	0.5
161.13290	0.6
165.06963	0.4
167.07005	0.5
167.08559	0.7
174.27858	0.4
175.14844	0.8
185.09605	1.4
185.13322	0.6
189.16360	0.6
195.08168	0.8
197.92224	0.4
199.07507	0.5
203.06987	0.5
213.09172	3.0
227.10727	1.8
230.05788	1.0
245.08142	4.8
245.11739	53.6
245.22702	1.7
246.12016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
57.05803	0.3
58.06607	0.4
69.07072	12.7
69.14259	2.3
69.14682	1.0
71.85178	0.3
84.92642	0.3
86.09711	100.0
87.10044	0.5
103.27150	0.3
132.10231	1.9
170.99252	0.3
197.07957	0.3
199.18074	0.5
230.33519	0.3
245.18579	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	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
64.09563	0.3
69.07060	0.7
71.32472	0.5
71.32807	0.3
84.06522	0.3
86.09707	100.0
87.10071	0.4
132.10205	2.9
135.13092	0.4
163.98352	0.3
193.03766	0.3
199.18140	0.9
219.01576	0.4
245.18658	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05516	10.1
57.07080	5.2
65.03916	1.3
67.05509	33.0
69.06729	1.4
69.07072	15.0
69.67941	2.9
69.68361	3.4
71.08624	1.9
74.96352	0.8
77.03976	0.9
79.05500	34.9
81.06600	2.2
81.07063	34.3
82.02190	1.0
83.08622	4.4
85.10178	1.4
91.05489	37.1
93.07047	35.6
95.08613	34.3
97.10201	2.0
98.20729	1.1
105.07035	26.5
107.08602	20.2
109.10159	13.7
119.08588	26.1
121.10152	29.4
123.11697	5.8
131.08553	2.8
133.10141	37.9
135.11722	10.6
137.13254	3.0
147.11688	21.5
149.13286	10.7
151.14845	2.3
154.30133	1.0
161.13264	33.9
163.14833	14.4
175.14854	18.1
177.16385	2.9
189.16428	7.1
203.17940	3.2
217.19615	1.3
245.22667	100.0
246.22920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.4
56.05024	3.4
56.96570	20.3
59.25589	2.3
60.05643	6.5
60.95860	2.1
61.02948	2.5
63.70114	2.0
69.03436	4.8
69.07073	27.9
70.02966	6.5
70.06598	45.7
70.64605	2.0
71.45774	4.2
72.08155	33.7
73.02915	2.7
74.02469	3.8
74.33871	2.2
81.54417	2.1
84.04504	6.4
84.08149	100.0
84.96054	2.3
85.02895	3.6
85.04022	9.9
86.09711	50.1
87.05590	27.6
88.04007	11.2
96.08147	5.3
97.02911	2.8
98.02440	8.8
98.06091	2.5
98.97598	26.2
100.07623	5.2
101.10765	2.3
102.96866	6.6
107.04960	32.3
108.05309	3.2
110.02415	26.2
110.97581	4.4
112.07626	3.4
112.08737	7.1
113.10763	15.3
114.06649	4.6
114.96869	3.7
115.08707	2.9
116.07124	6.5
116.98613	10.2
117.10243	3.2
117.97977	4.2
124.03959	8.9
124.07636	2.2
128.07079	2.9
129.10254	32.4
130.08672	23.9
132.10220	9.0
133.06093	4.2
134.04547	4.6
141.10249	32.2
143.11787	2.8
146.01083	2.5
147.11275	20.2
155.11845	4.6
156.03331	62.1
158.09332	4.9
166.08650	37.9
168.03352	24.0
174.00647	12.3
174.04431	24.0
175.11891	10.5
177.00621	2.6
183.11319	7.0
186.02747	4.5
186.04401	79.6
187.10770	24.5
191.34225	2.0
192.01776	4.5
192.89003	2.2
200.13910	11.2
200.90225	2.4
204.01732	3.8
204.05472	28.1
205.00058	3.2
209.09416	2.9
212.09174	39.3
219.01764	2.8
223.01024	5.5
223.02925	2.4
228.05435	39.9
228.13490	3.1
229.11568	16.6
229.15317	3.1
241.02386	4.4
246.02684	3.1
246.06659	21.7
246.15634	27.8
246.18208	17.4
247.14452	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.8
56.05034	3.9
56.96568	38.5
57.03439	5.7
61.02924	5.7
69.03416	8.5
69.07066	3.5
70.06582	8.7
70.92352	5.6
70.98125	17.7
70.99840	3.3
71.06935	2.3
72.08162	42.5
73.02909	2.8
73.08487	3.9
81.03423	6.2
82.99834	9.0
83.05007	2.7
83.70895	2.0
84.04511	6.4
84.08150	20.8
84.96017	4.6
85.01460	2.0
85.02902	15.0
85.08476	4.0
86.09712	100.0
87.10026	16.4
88.03941	3.3
88.99160	3.3
97.01395	5.2
97.02876	15.4
98.97588	42.0
99.04456	2.9
101.00894	55.0
101.03539	2.2
102.00954	2.9
102.05527	2.5
103.00615	8.2
109.02887	3.5
110.97590	19.8
112.05048	2.9
112.99133	5.6
113.00869	9.1
113.02358	2.3
113.03544	2.8
115.00654	2.8
115.02438	13.7
115.77608	2.1
116.98636	11.4
117.03965	2.7
119.01932	45.3
120.02014	2.1
120.05878	2.6
121.01655	6.5
124.95472	3.0
126.98801	5.2
127.02372	2.4
127.03920	3.6
128.98624	21.9
129.03984	8.1
129.10196	5.6
130.05009	2.5
130.08659	3.6
130.10585	4.6
131.00186	5.0
131.01881	14.6
131.08961	2.5
132.03426	3.7
133.01654	5.1
133.03491	14.7
133.06070	7.6
134.06438	3.5
137.02908	2.7
141.04065	2.8
143.00163	2.3
143.01926	12.5
144.98077	2.8
144.99834	4.0
145.01703	7.8
145.03444	10.8
146.99673	18.9
147.03252	4.3
147.05023	8.2
148.06047	7.3
148.11626	3.1
149.01201	3.4
149.03000	2.6
152.33440	2.5
153.11302	2.2
155.01865	7.2
156.98083	4.1
157.01610	4.0
157.03456	9.4
158.99693	9.6
159.01367	2.6
159.03238	2.3
159.04993	3.3
160.04785	15.1
161.01222	5.7
161.02937	7.7
163.02686	11.4
165.00764	4.3
168.99809	13.3
169.04408	2.6
172.97623	4.5
173.03009	5.0
175.02763	4.1
175.04527	4.2
177.04121	3.6
179.02374	4.2
187.00894	17.5
187.02550	4.8
187.04591	4.7
190.98697	5.4
191.04073	3.1
196.99370	8.4
199.02773	2.5
203.04016	5.8
205.00278	11.0
205.01912	4.8
205.03740	5.1
205.05540	3.3
215.00400	26.9
221.05099	7.0
223.01260	9.1
223.04849	4.3
229.03214	8.0
230.12393	3.1
233.01530	3.3
237.02885	2.4
247.04495	43.2
247.06926	5.9
247.12743	3.3
247.18483	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	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
51.02367	0.1
53.03957	0.1
55.05502	0.2
57.03420	0.1
57.07100	0.2
58.18034	0.1
59.04993	0.2
62.48172	0.1
65.03921	0.8
67.05505	1.1
69.07063	0.2
70.06569	0.1
71.04967	0.1
71.48306	0.1
79.05483	0.5
81.07052	0.4
85.06556	0.7
88.07618	0.1
91.05480	9.9
92.05824	0.1
93.07027	0.5
95.04964	0.1
95.08607	0.4
103.05454	0.7
105.07028	0.5
107.04936	0.3
107.08598	0.3
109.06499	0.2
109.10159	0.2
115.05437	0.3
117.07015	0.4
119.04942	4.6
119.08575	0.2
121.02862	0.3
121.10110	0.4
123.08076	0.1
123.11727	0.1
128.06198	0.3
129.07011	0.3
131.04924	2.2
131.08545	0.3
133.06503	0.2
133.10178	0.2
135.04515	0.1
135.08177	0.2
135.11682	0.2
143.04950	0.2
144.05655	0.1
145.06444	0.5
145.10127	0.4
147.04410	19.9
147.11688	0.1
148.04796	0.1
149.13286	0.1
152.06073	0.1
153.06956	0.1
155.08524	0.3
158.07271	0.2
159.03050	0.2
159.04411	3.2
159.08049	0.2
159.11775	0.1
161.05986	0.1
161.13210	0.2
163.03911	3.0
172.05334	0.1
173.05997	1.0
173.09596	0.2
173.13179	0.2
175.03905	100.0
176.04292	1.2
177.05423	0.4
183.07974	0.2
185.06017	0.1
186.06702	0.1
187.03899	4.4
187.07498	1.3
189.05467	0.9
191.03345	0.3
201.05476	2.7
201.09239	0.5
203.07047	1.3
205.04936	0.5
211.07599	0.2
212.06895	0.1
214.06320	0.5
216.06543	0.5
217.08636	0.3
229.08598	16.5
230.08864	0.3
247.09659	13.1
247.14235	0.3
247.14655	0.3
247.16881	0.3
247.20511	0.5
247.24496	0.6
248.09901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.05510	0.2
57.07066	0.4
59.04989	0.2
65.03936	0.5
67.05505	1.0
69.03462	0.1
69.84751	0.2
71.00196	0.3
71.00522	0.2
79.05516	0.3
81.07050	0.3
84.99835	0.1
85.06557	0.7
91.05484	9.3
91.34041	0.1
93.07040	0.3
94.81372	0.1
95.08598	0.2
103.05471	0.5
105.07025	0.7
107.04967	0.4
107.08574	0.3
109.10152	0.2
115.05464	0.2
117.07018	0.5
119.04945	4.3
119.08591	0.2
121.02901	0.2
121.10168	0.2
128.06264	0.3
129.07036	0.3
131.04942	1.8
131.08546	0.2
132.70755	0.1
133.06451	0.2
135.11671	0.2
141.07043	0.2
143.04926	0.2
145.06520	0.3
145.10133	0.3
147.04413	19.6
153.06946	0.2
155.08585	0.4
158.07277	0.2
159.04433	3.3
163.03900	2.5
165.07185	0.1
172.05109	0.1
173.05989	1.4
175.03911	100.0
176.04240	1.4
177.05502	0.4
183.08086	0.2
187.03909	4.1
187.07518	1.3
188.04207	0.2
189.05504	0.6
201.05472	2.9
201.09229	0.3
203.07018	1.3
205.04910	0.4
209.74684	0.2
211.07628	0.3
214.06281	0.4
216.06647	0.4
217.08563	0.2
221.27899	0.1
229.08601	16.5
230.08984	0.4
247.09674	12.3
247.13799	0.3
247.16882	0.3
247.20610	0.4
247.24571	0.4
248.09833	0.2
262.66119	0.1
263.13428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
55.01853	0.5
55.05501	1.2
57.07066	1.4
67.05517	3.2
69.03408	0.4
69.07052	1.3
70.06577	1.4
70.21286	1.1
70.21672	1.2
70.46588	0.5
74.09231	0.4
79.05500	3.0
81.07063	7.0
83.08623	0.6
87.11392	0.6
88.07626	1.2
88.72123	0.5
89.07957	0.5
91.05472	1.9
93.07053	2.5
95.04939	0.8
95.08621	2.3
105.07024	1.9
107.04958	0.8
107.08572	1.7
109.06538	2.4
109.10146	1.2
115.05441	2.9
117.07014	1.1
119.08567	1.3
121.06487	0.5
121.10126	1.4
123.08038	0.5
123.11703	0.7
124.26213	0.5
128.06238	6.3
129.06998	1.9
131.08568	1.0
133.10172	0.7
135.08049	0.7
135.11682	1.1
141.07005	4.7
142.07777	0.7
143.04933	0.9
143.08531	1.3
144.05708	0.7
145.06474	1.5
145.10123	1.8
147.11679	0.6
149.13272	1.1
155.04933	3.7
155.05989	0.7
156.05696	4.2
157.06516	3.8
158.07277	9.9
159.08040	1.4
159.11716	0.6
163.11182	0.5
163.14870	0.6
169.06488	3.9
170.07288	12.9
171.04453	4.3
171.08069	11.1
172.08839	0.9
173.05968	1.8
173.09631	3.0
173.13246	0.6
175.03871	2.2
177.09113	2.0
183.04370	1.1
185.06030	2.0
186.06773	28.4
187.07571	3.3
187.14815	0.6
188.08400	4.0
189.09065	1.1
191.10701	0.8
198.06760	8.1
199.03873	2.7
199.07364	0.5
201.09116	100.0
202.09494	1.3
203.10727	0.6
205.08607	1.9
214.06261	15.9
215.06810	0.8
217.08543	1.0
219.10181	0.8
229.08611	58.5
229.15883	1.2
229.19420	0.9
229.23485	0.6
230.08986	0.7
232.07251	0.4
246.24467	0.6
247.09674	92.9
247.20715	3.7
247.24583	10.6
248.09982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Torachrysone
Peak:m/z	Relative Intensity
55.05506	0.4
56.18260	0.3
67.05504	0.8
69.07066	0.5
72.93150	0.4
79.05493	0.9
81.07062	1.7
83.08629	0.3
84.08134	0.5
91.05460	1.3
93.07021	1.0
95.08612	0.5
104.34761	0.3
105.07006	0.8
107.08567	0.7
109.10152	0.5
109.87234	0.3
115.05435	1.8
117.07047	0.9
119.08600	0.7
121.06483	0.9
121.10157	0.5
128.06242	3.9
129.07021	2.0
130.07814	0.9
131.08586	0.8
141.06985	2.1
142.07803	0.5
143.04889	0.6
143.08592	1.8
144.05713	1.3
145.06479	5.5
145.10127	0.7
146.07295	0.4
147.08047	0.7
151.07475	0.4
156.05693	1.3
157.06500	3.0
158.07265	8.7
159.08070	4.5
160.08818	2.1
161.05928	1.6
161.09619	0.7
163.07539	0.5
163.39886	0.4
170.07268	1.5
171.04372	0.8
171.08067	3.7
172.08839	8.5
173.05989	7.9
173.09612	3.5
174.06786	0.6
175.03865	0.6
175.07527	1.4
175.11172	2.0
176.08376	1.0
177.09109	0.5
185.05901	0.4
186.06740	4.0
187.07526	7.7
188.08325	25.3
189.09128	2.0
191.10657	6.5
198.06734	0.9
201.09102	10.8
202.09894	4.2
203.10660	5.9
204.07840	0.7
214.06210	1.6
215.07100	0.5
219.10159	1.5
229.08565	3.7
229.19327	0.4
232.07306	5.7
247.09662	100.0
247.20625	1.1
247.24487	2.3
248.10068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0968
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.05508	0.2
57.03445	0.8
57.07073	0.4
57.44617	0.2
59.05018	0.2
61.37423	0.2
64.73128	0.2
65.03941	0.7
67.05515	1.2
70.19787	0.9
71.04996	0.2
74.45181	0.2
75.04477	0.7
79.05495	0.6
81.07055	0.8
84.08147	0.2
85.06546	0.7
91.05486	7.8
93.07053	0.8
95.08628	0.4
98.21516	0.3
98.98474	27.6
103.05482	0.9
105.07048	0.5
107.04967	0.3
107.08601	0.8
109.10175	0.4
116.99525	0.5
117.07038	0.5
119.04950	3.8
119.08570	0.4
121.10156	0.6
122.10496	0.2
129.07025	0.3
131.04948	1.6
131.08572	0.4
133.10121	0.3
135.11684	0.5
145.06429	0.3
145.10143	0.5
147.04419	19.0
155.01093	0.4
159.04446	3.0
159.11685	0.4
163.03925	2.0
173.02122	6.4
173.05986	1.1
175.03918	100.0
176.04248	1.0
177.05502	0.3
187.03923	4.0
187.07478	1.0
187.15004	0.2
189.05463	0.7
201.05492	2.3
201.09143	0.5
203.07071	1.1
203.17924	0.2
205.05055	0.2
211.07574	0.3
214.06258	0.3
216.06535	0.4
217.08562	0.2
229.08609	15.4
229.19510	0.9
247.05649	0.7
247.09680	25.7
247.14368	1.1
247.20570	1.9
248.09975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Decursinol
Peak:m/z	Relative Intensity
54.86006	0.3
57.07078	0.3
65.03942	0.7
67.05491	1.3
70.72966	0.8
74.81100	0.3
79.05488	0.7
81.07049	1.2
85.06538	0.8
86.44023	0.3
91.05487	9.5
93.07049	1.2
95.08628	1.1
95.27599	0.3
103.05454	0.6
105.07022	0.9
107.04952	0.4
107.08604	1.3
109.10154	0.6
115.05393	0.3
116.70522	0.3
117.07063	0.8
118.47720	0.3
119.04941	4.5
119.08546	0.4
121.10189	0.7
124.21360	0.3
129.29961	0.3
131.04913	1.4
131.08511	0.6
135.11664	0.6
145.10136	0.5
145.39870	0.3
147.04413	18.5
147.11696	0.4
148.47639	0.3
149.13234	0.4
159.04427	3.1
159.11679	0.7
163.03955	2.2
172.05383	0.3
173.05972	1.5
173.13191	0.6
175.03911	100.0
176.04234	1.3
186.06729	0.4
187.03911	5.1
187.07518	1.2
189.05441	0.8
189.16237	0.3
191.03514	0.4
201.05490	2.6
201.09132	0.4
203.07040	1.2
203.17880	0.3
214.06462	0.5
216.06639	0.5
229.08598	17.4
229.19478	1.6
230.08932	0.4
240.10925	0.4
247.09657	14.9
247.14717	0.6
247.16899	0.7
247.20605	2.9
247.24344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1443
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
55.05501	0.8
56.05045	0.5
56.37065	0.3
56.96564	0.6
59.17588	0.3
69.07075	0.6
70.06579	0.8
70.18865	0.9
72.08138	0.5
80.04997	0.4
82.06585	8.7
84.08147	32.1
85.08446	0.4
86.09708	4.2
88.03979	0.6
96.08135	3.6
98.09681	0.7
98.21463	0.4
98.97591	0.7
108.08102	0.8
109.08871	0.5
109.16464	0.3
111.98058	0.3
116.07040	0.4
123.04453	0.5
128.98592	0.4
132.04428	0.7
132.08084	0.5
132.10220	0.5
141.10257	0.5
150.05449	0.6
152.07095	0.7
160.07587	0.5
162.05527	0.4
166.08658	0.7
167.09081	0.5
175.04306	0.4
178.08650	1.6
190.08681	0.7
190.23470	0.3
201.10233	1.2
201.12276	0.4
204.10191	1.0
219.11263	0.8
231.98228	0.3
247.14429	100.0
248.14799	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	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
53.67087	0.6
53.78590	0.7
55.01876	3.5
55.05279	1.2
55.05514	15.4
55.32034	0.7
57.03437	1.9
57.07083	4.9
59.05000	0.7
65.03924	0.9
67.05506	26.3
67.48720	0.8
69.03418	0.8
69.07066	13.0
71.04995	1.9
71.08620	0.9
71.49258	0.8
75.04467	1.2
77.03924	0.8
79.05493	26.8
81.03407	1.4
81.07059	31.8
83.04987	4.0
83.08626	4.9
84.08121	1.3
85.06541	2.0
91.05488	18.1
93.07046	37.9
95.04973	8.5
95.08610	19.8
97.06524	3.3
97.10160	3.0
98.98470	29.3
103.05490	1.1
105.07030	14.9
105.58157	1.0
107.04950	7.7
107.08596	23.3
109.06503	6.8
109.10164	10.6
111.08085	2.1
116.99475	0.9
117.07010	7.2
119.08586	11.4
121.06522	6.9
121.09336	1.4
121.10151	19.6
123.08064	5.2
123.11693	3.8
125.09649	1.1
129.07042	1.1
131.08563	11.6
133.06459	1.1
133.10141	10.5
135.08060	5.0
135.11693	12.3
137.09648	3.6
137.13278	0.9
139.11223	0.8
139.16766	0.7
143.08574	1.2
145.10130	10.8
147.11684	7.4
149.09637	5.3
149.13251	9.3
151.11176	5.1
159.11708	6.7
161.09596	1.1
161.13264	3.4
163.11182	8.5
163.14786	2.4
165.12762	2.7
173.02078	7.1
173.09651	0.9
173.13278	6.9
175.03900	2.7
175.14844	2.0
177.12753	2.9
179.14520	0.7
187.11089	0.9
187.14813	3.3
189.16348	1.7
191.14349	4.9
201.16396	1.3
203.17970	1.4
205.15819	1.3
205.19543	1.1
211.14767	0.8
219.21014	1.3
229.08635	1.7
229.19493	10.5
232.12675	0.9
247.05835	2.0
247.09659	7.3
247.14299	4.4
247.16771	3.1
247.20583	100.0
248.06944	1.6
248.21082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02378	0.9
53.03944	4.0
55.01867	1.2
55.05284	1.0
55.05515	12.3
57.03433	1.9
57.07055	2.8
58.87406	0.9
65.03935	1.7
67.05508	36.8
69.06741	0.8
69.07072	11.4
69.86550	4.0
71.04978	2.6
71.08636	1.1
77.03925	1.3
79.05497	57.0
79.65464	0.8
81.03394	0.7
81.07060	46.0
83.04945	1.2
83.08620	7.2
84.08135	0.8
85.02846	0.8
85.06545	3.4
86.58807	0.7
91.04905	1.4
91.05482	31.2
93.07049	73.1
95.04987	4.1
95.08614	35.1
97.06561	3.6
97.10161	3.3
99.08102	5.3
105.04490	2.1
105.06326	0.9
105.07037	23.0
107.08601	50.7
109.06507	2.5
109.09468	1.2
109.10168	13.3
111.08117	3.7
113.09644	0.9
117.07024	7.7
119.06091	1.0
119.08585	19.1
121.10149	39.6
123.08074	2.6
123.11682	2.9
123.23150	0.8
125.09621	1.9
129.06979	0.9
131.08575	15.1
133.10135	16.2
135.08073	1.1
135.11697	43.1
137.09624	1.6
137.13260	1.8
139.11195	1.6
144.09309	0.7
145.10127	17.8
147.11696	18.2
149.09615	1.6
149.13263	35.9
151.11189	2.9
159.11705	12.0
161.13261	7.0
163.11153	1.3
163.14806	8.1
165.12741	2.3
173.13281	10.2
174.15886	0.8
175.03897	1.1
175.14827	1.8
177.12628	1.1
187.14850	5.9
189.16388	1.0
201.16376	3.6
203.17929	1.1
205.04903	1.2
219.21005	1.8
229.19519	34.8
247.09784	3.7
247.14484	2.4
247.20589	100.0
248.20891	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
55.01877	1.8
55.05512	13.4
56.96545	0.7
57.03437	2.8
57.07072	3.8
64.99836	0.6
65.03933	2.0
67.05505	42.0
69.03429	1.8
69.07073	9.8
69.80085	0.5
70.21943	1.7
71.04997	3.6
71.08630	0.9
77.03914	0.8
79.05492	34.7
81.03430	3.0
81.07056	100.0
82.07382	0.6
83.04980	2.4
83.08629	4.3
84.08156	1.4
85.06534	2.7
85.06989	0.6
91.05485	15.9
91.06026	1.2
93.07046	26.7
93.76508	0.5
95.04974	6.7
95.08607	21.1
97.06547	2.6
97.10175	1.5
99.08104	2.9
105.07036	11.5
107.04942	3.4
107.07879	1.2
107.08592	19.2
109.06519	32.2
109.09453	1.2
109.10146	9.6
111.08076	1.3
115.05476	0.8
117.07021	5.5
119.08585	12.1
121.02789	0.7
121.06519	3.5
121.10143	17.6
123.08093	5.3
123.11711	8.6
125.09635	1.6
129.07013	1.2
131.08563	9.6
133.10144	7.0
135.08076	5.0
135.11690	8.5
137.09622	4.6
137.13271	1.2
139.11206	0.9
143.08543	0.7
145.10117	9.1
147.04471	0.7
147.08054	1.0
147.11691	8.0
149.09676	3.4
149.13263	8.1
151.11145	2.2
159.11685	7.7
161.09731	0.8
161.13254	4.0
163.11143	4.0
163.14850	3.5
165.12804	1.9
173.13281	5.6
175.03908	2.5
175.14842	2.6
177.12718	2.1
177.16368	1.2
179.14386	1.4
187.14819	4.8
189.16412	1.1
191.14294	2.6
192.69801	0.6
201.16394	1.6
203.17944	2.0
205.15913	1.3
205.19560	0.9
219.21100	1.2
229.08681	2.1
229.19514	13.4
247.05847	0.8
247.09746	4.2
247.14456	3.1
247.16797	2.4
247.20578	51.8
247.24672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
52.09666	0.7
53.03930	2.6
55.01862	1.1
55.05510	14.4
57.03423	2.7
57.07061	2.9
64.28297	0.8
65.03928	1.1
67.05505	38.7
68.05838	1.0
69.06737	0.9
69.07070	12.3
69.86826	2.7
71.04987	2.4
71.08632	0.7
77.03922	1.3
79.05494	59.2
81.07057	53.6
83.04982	1.8
83.08620	7.8
84.08147	0.7
85.06541	4.4
91.04902	1.5
91.05482	32.4
93.07045	79.9
95.04973	4.6
95.08608	41.3
97.06541	4.2
97.10158	2.8
98.98471	11.0
99.08094	5.0
105.04513	1.6
105.07032	22.0
107.08598	54.4
109.06515	3.3
109.10159	14.0
111.08074	2.5
113.09610	2.0
115.05387	0.8
117.07002	7.8
119.06044	1.3
119.08587	20.0
121.10149	48.8
123.08035	1.5
123.11733	3.0
125.09610	2.4
127.22840	0.8
130.07814	1.0
131.08560	16.5
133.10129	15.5
135.11694	46.1
137.09631	2.4
137.13199	1.7
139.11139	1.1
145.10114	17.3
147.11696	20.4
149.13261	37.0
151.11205	3.0
157.10159	0.9
159.11703	14.5
161.13275	7.5
163.14835	8.0
165.12764	2.9
173.02129	2.7
173.13268	13.6
175.14780	2.0
187.14819	5.3
189.16414	1.3
201.16379	3.2
203.17955	1.7
209.22917	0.8
229.19518	39.0
236.33087	0.8
247.09572	1.6
247.20581	100.0
248.20905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.4
55.33778	1.7
56.96564	2.3
57.07058	4.8
67.05508	15.2
69.07053	7.3
69.81152	1.8
70.46130	1.5
71.04967	2.8
71.48109	3.1
79.05492	11.6
81.03408	2.4
81.07060	33.8
83.08631	6.0
85.06534	8.0
91.05489	17.5
93.07057	30.1
95.04999	1.7
95.08611	27.6
98.98455	7.9
105.07034	20.0
107.04949	2.0
107.08604	25.2
109.06591	2.4
109.10162	15.4
111.08047	3.7
117.07033	4.9
119.04952	3.7
119.08596	17.8
121.10158	17.9
123.11704	7.9
129.07021	2.4
131.08572	14.7
133.10141	12.8
135.11699	12.8
143.08563	2.1
145.10127	20.1
147.04419	6.9
147.11710	16.5
149.13261	12.8
151.11110	3.2
159.11700	22.9
161.13234	6.5
163.11279	2.2
163.14807	5.4
173.13263	29.8
174.13863	1.8
175.03923	42.6
175.14761	2.8
176.04675	3.4
187.03894	3.2
187.07593	2.1
187.14813	9.7
189.16386	10.8
198.94540	1.8
201.09453	1.7
201.16391	7.5
203.17970	26.7
214.06261	3.1
219.21132	5.2
226.06058	1.9
229.08633	18.0
229.19514	53.2
232.12558	2.9
247.05846	3.2
247.09645	30.5
247.14442	10.8
247.16850	5.7
247.20586	100.0
247.24612	4.6
265.11075	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	247.2421
Annotation	Estrane
Peak:m/z	Relative Intensity
53.03944	2.2
55.05508	13.3
57.07076	7.0
57.38266	0.6
57.80962	0.6
60.02978	0.6
65.03943	1.8
67.05504	55.6
69.07069	16.1
69.27518	2.0
69.27934	3.8
71.08623	3.1
75.04523	0.6
79.05492	67.5
80.05826	0.9
81.07055	51.7
83.08614	11.7
85.10162	1.1
87.89561	0.7
91.05475	9.6
93.07042	75.9
95.04971	2.2
95.08603	44.6
97.10155	4.0
98.21469	1.5
98.98466	6.1
105.04525	1.3
105.07053	3.1
107.08592	51.7
109.06521	0.9
109.10151	21.6
111.11734	1.9
113.46387	0.6
119.08569	1.3
121.10140	100.0
123.11705	8.6
133.10184	0.8
135.11690	63.7
137.13252	3.0
143.11278	0.8
149.13254	24.2
151.14816	4.6
157.50116	0.6
163.14815	8.7
165.16420	5.7
173.02124	1.3
175.03986	1.2
177.16344	4.7
179.17970	1.5
191.17931	4.7
205.19487	3.1
247.09590	1.1
247.14415	2.2
247.24210	99.8
248.24651	1.8
253.15996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47313	0.7
55.01859	0.7
56.05041	1.3
56.48326	0.7
56.96569	32.3
57.03410	1.5
66.74889	0.8
69.03419	2.3
70.06583	2.5
70.98134	1.4
71.47691	0.7
71.95245	2.9
72.08153	1.2
72.96026	1.9
73.02908	1.6
74.06091	1.5
74.97622	1.0
81.03414	1.1
83.06930	0.7
83.97658	1.1
84.08149	12.8
84.96025	2.1
85.02904	3.4
85.39567	0.7
86.09705	7.1
87.10047	1.2
97.02894	2.2
98.97591	100.0
100.99165	1.0
101.00872	2.5
110.97583	2.2
115.00697	1.5
116.00219	1.1
116.98631	31.5
119.01891	1.9
126.02296	2.1
127.03886	1.8
128.98604	2.1
129.10249	3.5
130.08667	1.1
134.99646	5.6
140.03828	2.5
142.05423	3.4
143.01913	1.1
145.01675	1.2
146.99632	1.4
147.11322	0.9
154.03850	4.0
157.03546	0.9
158.04904	2.7
158.99611	1.9
159.03339	1.1
160.06448	3.3
161.04639	1.7
163.04359	1.3
168.03717	1.2
170.05070	3.7
171.03304	4.3
173.01213	1.2
177.04181	1.7
181.03552	0.9
188.06007	3.9
189.00739	1.6
189.04362	10.7
206.07010	11.2
207.05396	2.0
212.05962	1.0
219.01924	0.9
224.02640	1.2
224.08080	6.5
230.07019	33.9
231.05373	1.8
248.08086	47.4
248.14522	5.4
266.09079	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	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57602	8.3
70.48100	38.1
82.96510	9.0
94.93018	100.0
98.97572	42.3
105.80818	8.5
116.98565	12.4
125.62524	8.9
139.56866	9.0
177.00693	9.4
179.03145	9.3
206.88542	36.1
249.03716	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71600	0.8
56.96568	4.6
58.99842	0.8
60.48526	0.8
63.93038	0.8
70.99859	2.3
71.10633	1.3
71.10945	0.9
82.99834	13.9
84.08133	1.3
85.01375	1.3
98.97588	12.8
101.00883	95.9
103.02447	2.3
110.97604	0.9
113.00879	9.1
115.02489	1.5
116.96991	0.8
116.98605	2.7
119.01924	100.0
127.02417	4.3
129.00366	1.1
131.01918	15.6
133.03442	1.0
134.99673	0.8
137.02966	10.9
137.96635	0.9
141.00369	1.9
143.00189	2.2
143.01903	40.4
145.03473	14.2
146.99673	1.0
147.01405	1.9
149.02983	1.7
155.01855	1.4
157.03497	3.0
158.99959	1.5
159.01382	19.3
161.02960	68.6
161.51762	0.9
162.03029	1.0
171.01381	12.4
172.60992	0.9
173.01274	3.3
173.02950	5.4
173.12749	0.9
175.04564	1.2
177.00903	0.8
177.02437	24.3
179.03998	1.4
183.01308	1.1
183.06505	0.8
184.04556	1.6
189.02448	58.5
190.02654	1.2
191.03958	4.4
201.02457	9.8
203.04036	1.3
207.03505	11.5
219.03520	6.8
231.03520	6.1
249.02002	1.7
249.04585	33.6
263.74075	1.2
267.05710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79639	1.1
53.03934	1.7
55.01873	3.9
55.05505	9.6
56.05030	3.7
56.96567	47.1
57.03443	7.7
57.07085	1.2
61.02931	13.3
63.41387	1.1
67.05500	1.8
69.03085	1.3
69.03429	12.6
69.73620	2.2
69.74030	4.4
70.06593	7.0
70.98119	4.4
71.04996	3.7
71.95281	2.3
72.08150	4.4
72.59838	1.0
73.02918	11.4
73.06564	6.3
74.06092	1.7
77.86833	1.0
80.00237	1.3
81.03420	6.9
81.07045	2.4
82.06584	1.9
82.99842	1.1
84.04515	2.7
84.08148	100.0
84.96038	8.0
85.02906	22.5
85.03382	1.9
85.08482	2.2
86.09713	2.8
87.04473	2.5
91.05483	1.3
97.02305	2.3
97.02898	21.8
98.09695	16.2
98.97589	83.2
99.04472	3.6
100.99162	8.9
101.00857	5.4
101.02423	1.3
102.96885	1.4
103.05516	1.2
104.01269	1.3
104.05341	2.5
105.02007	1.2
107.04973	15.6
108.05301	1.3
109.02880	3.1
110.01298	1.9
110.07182	5.7
110.97580	13.0
112.11274	2.7
112.99132	7.2
113.02395	1.3
114.02513	1.0
115.00700	3.3
116.98622	25.2
117.03883	3.0
119.00186	5.9
119.01862	14.8
120.08140	5.8
123.04436	91.2
124.99113	7.0
125.03648	1.6
125.10813	2.2
126.97080	1.9
127.00678	2.6
127.03915	5.4
127.12320	14.6
128.02322	4.1
128.98618	9.5
129.02246	2.0
130.02817	1.9
130.08572	1.2
131.00194	5.6
131.01941	2.2
133.03415	1.3
134.05992	1.2
134.99654	6.2
136.06100	1.4
138.02623	1.2
139.57387	1.1
140.00238	1.2
140.02336	3.7
140.98589	2.1
143.00195	11.7
143.01926	3.9
144.98087	2.2
145.01711	6.2
145.03456	2.2
145.04971	1.7
146.02335	2.7
146.04111	5.9
146.54308	1.7
146.99670	4.8
147.03235	4.6
147.04347	2.1
149.01242	2.7
149.02890	1.5
152.02332	1.9
152.98552	2.2
155.00133	2.9
155.04665	60.1
155.54825	3.2
156.03424	1.6
157.01604	1.3
158.56572	1.9
158.99673	25.6
159.03139	3.1
160.03850	1.4
161.01237	6.9
161.02953	3.7
161.04712	2.3
163.02759	8.0
164.02217	1.3
164.05197	10.0
165.00705	3.1
165.04167	2.4
166.55478	2.2
168.03638	24.9
168.05438	15.5
168.53877	1.4
168.55409	1.8
169.04451	7.2
170.03296	1.7
170.99704	5.2
173.01234	8.6
173.02834	2.6
173.04828	2.6
174.99226	1.6
175.02782	2.4
177.00763	15.2
177.02330	2.1
177.02603	2.1
177.04161	14.2
177.05983	5.0
178.04907	1.3
179.02354	1.3
182.03384	8.8
186.99103	1.3
187.02823	1.8
187.04466	1.4
189.00787	7.3
189.02464	2.5
189.04323	5.7
189.05875	2.3
189.94801	1.4
191.02318	4.5
191.03940	7.4
191.05759	2.2
201.00677	3.1
201.04205	2.1
204.02878	2.3
204.04669	4.8
205.00197	2.3
205.05534	1.7
207.01901	6.1
207.05350	10.6
207.96088	1.8
217.05524	1.7
219.01859	9.5
219.05154	6.7
223.01254	2.8
223.04573	1.3
226.05788	1.4
231.05209	2.2
233.03098	1.9
237.02817	7.8
240.05760	12.7
248.99260	2.4
249.06221	17.4
249.16035	29.0
249.56429	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01868	0.4
57.03434	0.5
69.03416	1.3
69.70277	1.7
69.70694	0.8
74.06074	0.5
78.45686	0.5
79.05487	0.9
79.45930	0.4
85.02867	0.4
91.05481	7.2
93.07001	0.6
95.04948	0.6
97.02879	0.9
98.20821	0.9
103.05476	1.0
105.07033	3.5
107.04967	2.3
107.08588	0.6
109.06538	0.6
115.05447	5.3
116.06240	5.3
117.07014	3.3
119.04930	0.6
119.08562	0.8
120.08070	1.6
121.10242	0.5
127.37244	0.4
128.04324	0.5
128.05281	0.6
128.06238	10.1
129.07019	19.9
130.07751	0.6
131.04921	2.0
131.08574	18.8
132.05673	1.2
133.06522	2.5
133.10130	1.6
141.06998	10.1
142.07784	4.2
143.04924	0.8
143.08542	3.4
144.05704	8.9
145.06467	5.0
146.07246	4.1
147.04430	1.3
147.08109	0.5
152.06206	1.7
153.06931	2.2
155.06050	1.9
156.05682	1.9
157.06502	9.0
158.07317	2.5
159.08064	26.0
160.05186	1.1
161.05965	3.9
161.09625	6.2
167.04916	0.6
167.07042	1.1
169.06429	1.7
169.07632	4.3
170.07275	8.6
171.04443	2.1
171.08055	6.1
172.05226	3.6
173.05960	4.0
174.06801	2.9
175.07530	2.7
178.06317	1.1
184.05215	1.1
185.05972	0.8
186.06711	0.7
187.07555	18.9
188.08287	1.4
189.05495	2.6
189.09120	8.2
190.06207	1.5
191.07074	1.1
193.04985	0.5
193.08524	0.7
198.06747	2.0
199.07533	3.7
201.05423	1.8
203.07036	5.8
204.07829	12.8
205.08582	2.2
206.09349	1.2
216.07797	3.9
217.08510	1.0
218.09438	1.1
219.10124	1.6
221.07986	1.2
221.11636	2.8
231.10172	6.9
234.08864	0.6
249.11234	100.0
250.11613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
66.88074	1.0
67.05483	2.5
69.76997	2.3
69.77409	4.5
79.05477	2.4
81.07072	1.5
91.05495	7.3
93.07052	1.6
95.08598	2.3
101.84144	1.3
103.05481	1.4
105.07018	4.7
107.04952	4.1
107.08556	2.4
115.05480	6.3
116.06277	4.7
117.06998	3.5
119.08488	1.7
121.10167	2.4
128.06256	9.1
129.07014	23.1
131.08591	17.1
133.06512	2.9
141.06969	9.0
142.07768	3.7
143.08563	3.4
144.05710	10.3
145.06499	5.5
146.07231	3.5
153.06958	2.1
155.06029	1.7
157.06511	10.0
158.07256	3.8
159.08064	29.0
161.05959	5.3
161.09631	9.6
169.06406	2.1
169.07637	3.6
170.07323	10.9
171.04424	1.8
171.07994	8.0
172.05214	3.0
173.06001	4.8
174.06796	2.5
175.07555	3.3
187.07571	18.9
189.05495	2.0
189.09117	9.0
191.07063	1.7
198.06711	3.6
199.07550	3.2
201.05295	1.4
203.06978	6.0
204.07837	14.8
205.08589	2.3
216.07843	3.8
218.09422	2.1
221.11728	3.6
231.10109	5.2
232.31059	1.5
241.17194	1.7
249.11235	100.0
249.18428	3.0
250.11549	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.93367	0.6
53.03941	0.9
53.05791	0.6
55.01868	1.1
57.03431	1.5
60.49151	0.5
61.13964	0.5
67.05499	1.2
69.03441	6.4
69.07041	0.6
69.44848	4.0
71.04991	1.5
79.05483	1.6
81.03411	3.2
81.07052	1.7
84.08121	1.0
85.02906	6.3
86.09716	1.0
87.00830	1.9
91.05485	8.6
93.07040	1.5
95.04962	1.0
95.08601	1.0
97.02895	4.9
97.06561	0.6
98.97584	0.5
99.04458	2.0
103.05459	1.7
105.01861	1.2
105.07034	4.2
107.04979	3.1
107.08601	1.6
109.02901	1.4
109.06451	0.5
109.10167	0.7
115.05453	5.8
116.06246	4.5
117.07024	4.1
118.07761	0.7
119.04917	0.9
119.08593	1.3
120.08131	0.7
121.06516	1.1
123.04427	0.7
127.03893	4.2
128.06232	9.6
129.07014	20.6
130.07817	0.9
131.04921	1.4
131.08568	16.9
132.05713	1.6
133.06490	2.7
133.10123	2.7
135.04414	1.5
141.05988	0.9
141.07002	10.2
142.07806	4.1
143.04906	0.8
143.08556	5.0
144.05699	8.9
145.06506	6.7
145.10086	1.1
146.07317	2.7
147.04417	1.9
147.08038	0.8
147.11626	0.7
152.06239	0.9
153.07007	2.3
155.06049	2.2
156.05698	2.0
157.06503	10.9
157.10114	1.1
158.07272	2.3
159.04466	0.7
159.08069	29.1
160.05168	1.7
161.05928	3.4
161.09644	7.5
161.13303	0.8
165.09195	0.6
167.06990	1.1
169.06444	1.5
169.07634	3.5
170.07268	8.1
171.04431	2.4
171.08051	6.9
171.11813	0.7
172.05217	3.3
173.06009	4.7
174.06775	2.4
175.07571	3.0
178.06259	1.3
184.05212	0.7
185.06020	1.1
186.06763	1.1
187.07561	20.0
188.08232	1.6
189.05476	3.5
189.09106	8.5
190.06279	1.7
191.07005	1.8
193.08669	0.6
198.06770	2.2
199.07552	3.3
201.05547	1.7
203.07050	7.2
203.10695	0.7
203.15479	0.6
204.07826	12.9
205.08667	1.7
206.09401	0.7
213.09038	0.9
216.07802	3.8
218.09375	1.7
219.10188	1.9
221.08035	0.8
221.11757	2.4
231.06622	1.2
231.10107	6.2
231.17392	0.9
234.08882	1.2
249.11238	100.0
250.11456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01866	0.7
55.05510	0.5
57.03410	0.8
61.30809	0.4
62.67519	0.4
64.34380	0.4
65.03935	0.4
67.05502	1.1
69.03420	0.7
69.48005	3.0
73.51020	0.4
78.54603	0.4
79.05466	0.8
81.07050	1.0
81.56857	0.4
85.02898	0.6
91.05474	7.2
93.07009	0.6
95.04955	1.1
95.08582	0.6
97.02879	0.6
103.05460	1.3
105.07039	3.1
106.30247	0.5
107.04957	2.6
107.08558	0.9
115.05444	5.3
116.06227	3.7
117.07032	3.0
119.04898	1.2
119.08574	1.3
121.06482	0.8
127.05347	0.5
128.06227	7.6
129.07007	19.7
129.52065	0.4
130.07793	1.6
131.04903	1.8
131.07602	0.9
131.08565	18.0
131.09546	0.9
132.05678	1.2
133.06490	3.0
133.10118	1.8
135.04445	1.1
135.11664	0.7
141.06004	0.6
141.06992	8.8
142.07771	3.8
143.04927	1.0
143.08546	3.2
144.05702	9.7
145.06477	5.2
146.03554	0.5
146.07240	3.6
147.04390	1.9
147.08049	0.7
147.11653	0.5
152.06252	1.1
153.05809	0.4
153.06914	2.2
155.06030	1.5
156.05714	2.1
157.06493	9.7
158.07253	2.7
159.04359	0.7
159.08051	24.4
160.05164	1.6
160.08743	0.5
161.05974	4.6
161.09616	6.8
165.09151	0.4
167.07074	1.1
169.06439	1.2
169.07616	4.6
170.07266	8.8
171.04379	1.8
171.08037	6.9
172.05171	2.5
173.05986	3.4
174.06766	2.3
175.07535	2.5
178.06245	1.2
181.07623	0.8
184.05199	1.0
185.06032	0.8
186.06731	0.8
187.07549	18.5
188.08241	1.6
189.05508	3.3
189.09100	9.0
190.06194	0.8
190.09584	0.4
191.06956	1.3
192.07759	0.5
193.08656	0.5
198.06786	1.8
199.07513	2.9
201.05470	1.3
203.06996	5.5
204.07817	12.3
205.08578	1.5
206.09326	1.2
216.07799	3.8
217.08588	1.4
218.09358	1.4
219.10155	1.4
221.08006	0.7
221.11658	3.4
231.10149	7.0
234.08778	0.9
249.11220	100.0
250.11597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
54.85064	3.1
55.01885	3.9
55.05504	11.2
57.07052	4.4
64.35547	2.9
64.35908	2.8
67.05495	23.2
69.03431	8.1
69.07059	10.1
70.06577	2.8
71.04975	3.7
71.43139	5.6
79.05492	20.5
81.03412	4.2
81.07056	32.8
83.04951	5.4
83.08614	5.1
84.08139	3.0
91.05482	28.2
93.07044	25.7
95.04943	7.7
95.08604	22.6
96.52184	2.9
97.02872	3.9
97.06512	5.8
103.05451	4.4
105.03418	4.1
105.07034	43.6
107.04950	28.1
107.08599	21.8
109.02893	3.4
109.06496	7.5
109.10168	15.5
111.08076	3.7
115.05402	4.9
117.06988	13.9
119.08569	31.3
121.06488	8.6
121.10114	15.1
123.08048	6.8
123.11662	3.6
128.06197	11.1
129.07002	17.3
130.07741	4.1
131.08559	25.2
133.06448	6.5
133.10138	21.3
135.04419	6.5
135.08025	6.6
135.11641	3.8
141.06969	4.1
142.07771	6.3
143.08534	22.1
144.05704	3.5
145.10130	31.1
147.08009	12.0
147.11674	10.5
149.05951	2.9
155.08585	3.8
155.72031	3.0
157.06442	7.7
157.10161	17.4
159.08025	13.5
159.11693	18.9
161.06009	3.9
161.09586	12.3
161.13266	11.7
163.07469	2.8
170.10913	4.7
171.08029	9.2
171.11682	8.8
173.09612	9.9
175.07513	15.5
175.11166	7.6
175.14882	5.4
185.13254	36.1
187.07520	3.8
189.09106	10.7
189.12773	12.7
191.10652	7.9
195.11635	7.9
203.10666	4.2
203.14267	29.2
204.07881	5.1
213.12721	19.1
217.01103	3.7
219.11794	3.8
221.09576	6.0
231.10225	6.9
231.13792	100.0
231.20943	3.5
239.62849	3.2
249.09024	11.4
249.11206	41.5
249.14757	46.6
249.18542	9.7
256.86469	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	249.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31953	0.5
51.02379	0.9
51.84064	0.4
53.03945	1.0
55.01879	1.0
55.05518	2.6
56.05036	1.8
56.96566	25.9
57.03440	2.1
57.07050	0.6
58.06593	1.3
60.04525	0.5
61.02931	2.7
64.36479	0.4
67.05489	1.3
69.03441	4.1
69.07066	0.7
69.74876	2.2
70.06594	3.1
70.98122	1.0
71.04987	0.9
71.95282	0.7
72.08155	2.3
73.02933	2.6
73.06543	1.0
74.06084	1.3
74.97614	0.6
77.03951	0.7
79.05476	0.7
81.03410	1.3
81.07056	0.8
82.01811	0.6
84.04504	2.2
84.08147	91.0
84.96037	2.2
85.02897	6.6
85.06520	0.6
85.08474	1.3
86.09704	1.2
87.04474	0.6
91.05526	0.8
93.07037	0.6
95.01340	0.6
95.04980	1.2
96.08127	0.6
97.02897	5.5
98.09693	15.8
98.97587	24.5
99.04457	1.0
100.99146	8.2
101.00850	1.9
102.96879	0.5
103.05453	1.1
105.03394	0.8
107.04969	11.0
108.05302	0.7
110.01271	0.6
110.07175	3.1
110.97564	3.4
112.07600	1.9
112.11240	1.4
112.99124	2.9
113.98576	0.4
115.00699	0.8
115.02396	0.7
116.98626	8.9
119.00183	7.7
119.01857	3.4
119.04939	0.7
120.08108	9.9
123.04434	100.0
124.04788	0.8
124.99125	3.0
125.10786	1.2
127.00696	1.1
127.03912	1.6
127.12318	18.2
128.98613	2.4
129.02274	0.5
129.10245	1.2
130.05037	1.8
130.08664	1.6
131.00172	1.9
132.98061	0.5
134.05972	1.1
134.99689	1.6
136.06194	1.1
136.07597	0.7
137.01251	1.0
140.02295	1.1
140.98625	0.7
143.00171	4.6
143.01936	0.5
145.01756	3.6
146.02325	0.5
146.04158	1.3
146.05945	0.6
146.99670	2.0
147.03227	0.8
147.04411	0.9
149.01198	1.3
152.02249	0.5
152.04088	0.5
155.04657	12.6
155.54865	0.7
156.03300	2.4
157.01732	0.6
158.99657	6.9
159.03120	1.1
160.03900	1.5
161.01259	3.2
161.02846	1.1
163.02792	9.4
164.05203	1.0
164.07040	0.5
165.00705	1.2
165.04141	1.1
168.03589	3.0
168.05388	3.5
168.53734	0.8
169.04372	4.3
170.99670	1.3
173.01173	1.1
174.04443	1.8
175.02773	0.8
177.00720	4.3
177.04314	2.6
177.05989	2.2
178.04922	0.6
181.03854	1.9
182.03400	1.2
185.01323	0.6
185.02969	0.6
185.07013	0.9
186.04460	3.1
189.00830	2.3
189.02592	0.9
189.04333	4.8
191.02328	1.1
191.03923	1.7
191.05774	0.8
192.10219	1.2
201.00826	0.7
204.05357	2.1
205.00160	0.9
205.03746	0.7
207.01851	2.5
207.05411	17.7
207.96001	1.2
219.01801	2.1
219.05145	0.8
221.10468	0.8
223.01250	0.9
225.06332	0.7
229.07611	0.6
231.05284	0.7
237.02766	1.3
240.05791	1.7
248.99245	1.5
249.04047	0.8
249.06290	6.1
249.16017	36.5
250.06950	0.8
250.09270	0.8
267.00247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03942	2.4
55.01871	1.7
55.05511	14.9
57.03419	2.7
57.07071	13.0
65.03934	2.3
67.05505	84.7
69.07067	15.4
69.61920	1.3
70.04572	3.0
71.05005	1.9
71.08635	8.4
79.05493	21.9
81.07057	100.0
83.04971	2.2
83.08617	12.5
85.06533	4.8
85.10183	2.9
91.05479	18.9
93.07045	28.5
95.04971	1.9
95.08606	90.8
97.06528	7.6
97.10140	3.8
98.20798	2.0
99.08096	7.4
105.07027	12.7
107.08591	16.4
109.06503	2.3
109.10158	39.1
111.08086	6.0
113.09635	3.8
117.06982	1.5
119.08598	12.1
121.10152	16.0
123.08066	4.3
123.11720	17.8
125.09612	1.8
129.06947	1.3
131.08565	2.3
133.10138	19.1
135.11679	14.8
137.09604	3.3
137.13252	13.6
145.10182	1.4
147.11673	10.5
149.13240	12.1
151.11136	2.8
151.14796	13.3
161.13251	11.4
163.14865	1.7
165.16408	6.8
167.14330	1.9
175.14845	7.6
189.16394	2.4
203.17963	2.5
207.11749	1.8
221.94029	1.3
231.21075	33.5
249.07437	3.8
249.22139	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03915	1.2
53.25351	1.1
55.05273	1.4
55.05517	18.1
57.03422	2.5
57.07082	13.2
58.04546	1.2
62.19299	1.2
65.03938	2.5
67.05508	88.8
68.16618	1.3
69.07072	17.8
69.14095	4.3
69.14510	9.1
71.04978	1.8
71.08613	4.4
79.05496	28.0
81.07061	100.0
82.07406	1.5
83.04981	2.3
83.08618	10.7
85.06521	5.8
85.10187	2.0
91.05481	21.7
93.07043	25.0
95.04961	1.8
95.08611	88.1
97.06532	10.9
97.10150	5.1
99.08092	8.8
105.07037	12.1
107.08602	15.8
109.10160	45.3
109.10745	0.7
111.08072	6.3
113.09626	2.9
119.08579	15.7
121.10145	19.0
123.08060	4.1
123.11726	14.4
125.09621	2.1
127.11192	3.7
133.06575	1.5
133.10129	19.6
135.04408	1.4
135.08047	1.6
135.11700	14.4
137.09630	3.0
137.13261	15.0
141.12706	2.5
147.11697	14.6
149.13292	13.2
150.06931	1.2
151.14833	15.1
161.09598	4.9
161.13280	12.7
163.14813	2.9
165.12932	1.4
165.16394	4.5
166.20750	1.2
167.14348	1.9
175.14780	9.7
179.14227	1.4
179.90065	1.2
186.05136	1.3
189.16344	2.8
193.06410	1.8
203.17964	2.0
231.21063	33.2
239.38495	1.1
249.18417	2.7
249.22156	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88944	1.4
53.03954	3.2
54.53491	1.3
55.01872	5.8
55.05508	5.7
56.05029	4.1
56.96568	48.0
56.96849	2.8
57.03434	13.2
59.04992	4.8
60.04509	3.1
61.02931	13.3
63.80258	1.5
67.05495	1.8
69.03435	30.7
70.03753	2.5
70.06602	11.2
70.98112	3.9
71.04979	5.3
71.48224	3.2
71.95270	2.2
72.08149	6.8
73.02924	18.6
73.06558	2.6
74.06071	4.4
74.97597	2.4
79.05450	2.3
80.43828	1.3
81.03419	14.9
81.07041	1.9
83.01331	2.1
83.04974	2.6
84.04504	10.4
84.08142	19.3
84.96031	6.5
85.02912	46.7
85.08486	5.6
86.09692	8.0
87.04459	7.2
88.01806	2.2
89.00779	2.2
91.03967	1.9
91.05471	3.0
95.04953	2.5
97.02326	8.9
97.02894	54.1
97.96777	1.4
98.03209	1.8
98.09644	2.1
98.97588	55.4
98.98466	28.6
99.04452	6.5
99.97938	2.5
100.01759	1.5
100.99132	1.9
101.00854	5.8
101.02383	1.5
102.05566	1.7
102.96935	2.2
103.03999	1.6
106.02833	7.9
107.02533	1.7
107.04962	36.5
108.05297	1.9
109.02251	3.4
109.02936	7.0
110.01279	5.1
110.07188	7.7
110.51462	1.6
110.97585	14.8
112.07611	1.4
112.99158	5.6
113.00874	2.0
115.00681	5.0
115.02336	2.9
115.03971	1.6
115.36116	1.3
116.03133	3.7
116.98621	15.2
117.02016	1.5
117.03899	2.5
117.98991	2.5
118.02850	5.1
119.01851	10.9
120.02066	2.4
122.03136	1.8
123.04473	10.0
124.02815	5.5
124.04774	2.3
124.99120	4.5
125.03587	2.9
127.00683	23.3
127.03938	11.6
127.04774	2.0
128.02344	4.5
128.98619	9.9
129.10262	6.9
130.02866	5.1
130.04997	2.7
130.08615	2.3
131.00197	4.9
131.01869	4.2
131.03627	3.8
133.01672	3.2
133.03322	3.0
134.06020	1.9
134.99657	4.2
136.06192	10.4
136.07603	3.4
138.02647	2.0
139.03328	3.3
140.02316	3.9
140.98598	2.1
143.00171	7.5
143.01897	6.8
144.98128	2.9
145.01729	30.1
145.03433	5.2
145.04991	4.1
146.02299	2.3
146.04108	2.0
146.99670	4.1
147.03174	3.1
147.05809	2.1
149.01219	3.2
149.06027	1.9
151.06100	1.6
152.07111	1.9
154.03836	1.8
155.01868	1.8
155.04689	9.5
155.54860	8.0
156.03400	1.7
156.07635	1.9
157.01755	6.3
157.03467	4.3
158.99686	11.7
159.03136	2.9
160.03845	40.7
160.06589	14.5
160.54037	3.6
160.56740	3.1
161.01204	5.4
161.02959	5.5
161.04657	10.6
161.52942	1.7
162.03067	2.8
163.02777	15.3
163.04190	3.0
164.05287	1.7
165.00742	1.7
168.03616	4.1
168.53761	3.0
168.55440	1.5
169.04401	100.0
169.54590	5.1
170.03700	2.3
170.05151	18.3
170.99622	4.0
172.97578	2.5
173.01300	2.9
173.02902	3.3
173.14722	1.5
175.02808	15.5
175.04303	2.7
176.05019	1.5
177.00716	4.6
177.04295	6.2
177.54301	2.9
178.04915	11.8
179.05659	1.9
180.55186	2.8
182.03374	3.5
182.53545	3.0
185.01517	1.6
185.03014	6.7
187.02800	8.3
189.00627	3.2
190.98645	2.3
191.03870	10.7
193.03874	4.7
199.02856	3.2
200.04443	2.0
201.00716	3.8
203.04036	2.0
205.03900	4.5
208.01439	6.0
209.03427	1.8
209.50815	1.6
217.03819	4.7
219.01686	11.9
219.05312	3.4
220.06128	2.6
226.02515	6.7
227.04060	4.0
229.03906	2.2
232.05965	1.9
237.02872	7.2
241.06560	11.6
242.07207	2.2
244.99719	5.8
249.56610	2.0
250.02542	5.0
250.06877	7.4
250.09058	13.2
250.16864	3.3
251.07724	2.1
251.10233	2.7
255.03896	1.7
259.16061	1.5
263.00604	1.9
268.03903	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72614	0.4
56.96565	0.7
57.03443	0.7
60.04530	0.5
61.02922	0.6
61.38416	0.4
67.78349	0.4
69.03429	3.3
70.06593	3.0
70.48405	1.2
70.48789	0.7
71.04997	0.5
72.08173	0.7
73.02920	0.4
81.03412	0.8
84.08147	0.8
85.02908	18.8
88.07632	100.0
89.07951	0.6
97.02893	3.0
98.97556	0.7
98.98470	10.0
98.99055	0.7
99.04488	0.7
101.02417	0.5
107.04957	4.8
109.02898	2.1
110.07178	0.5
110.97586	0.4
123.04411	0.6
127.03922	3.2
136.06210	1.9
144.04797	0.5
145.04970	1.3
158.98006	0.5
228.61768	0.4
250.09293	0.5
250.12859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.01880	0.7
55.05521	3.3
56.96552	0.9
57.07076	0.7
57.37114	0.4
67.05509	10.8
69.07072	2.2
69.33460	3.7
71.04997	1.5
79.05499	6.9
81.03429	2.3
81.07059	10.5
83.04974	0.8
91.05486	9.1
93.07037	5.1
95.04966	4.6
95.08620	6.1
97.06525	0.6
97.10139	0.5
98.20727	0.8
98.98472	100.0
103.05480	0.7
105.04541	0.7
105.07040	7.9
107.04962	2.8
107.08575	2.5
109.06515	1.5
109.10152	3.6
111.11689	0.5
115.52740	0.5
116.99496	1.6
117.07012	2.9
119.08607	5.7
121.06527	1.7
121.10162	1.6
123.08093	1.0
123.11707	0.7
125.79733	0.5
129.07024	0.6
131.08591	5.9
133.06537	0.6
133.10114	1.8
135.08043	1.1
135.11720	0.5
137.09596	0.6
141.07050	0.7
143.08597	0.5
145.10132	3.1
152.60536	0.5
155.08574	0.7
159.11746	1.4
169.10175	1.0
171.11658	0.7
173.13252	0.8
174.99210	3.0
187.11362	0.6
187.14861	1.5
197.13315	0.6
205.15878	0.8
205.98877	0.8
209.09691	0.5
215.14430	0.9
215.73669	0.5
223.07310	0.6
233.15359	4.5
251.04794	0.8
251.10628	1.2
251.14275	1.0
251.16393	4.2
251.20093	1.6
269.10666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2371
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.03934	3.6
55.01865	2.2
55.05511	60.7
57.03422	3.3
57.07075	22.9
65.03936	2.9
67.05506	62.0
69.07068	81.9
70.66198	2.8
71.04972	3.9
71.08628	13.1
72.79644	1.0
79.05029	1.3
79.05493	34.3
81.07054	71.5
83.04978	2.8
83.08617	61.7
85.06525	3.2
85.10173	2.9
91.05471	6.4
93.07043	40.1
95.08607	71.7
97.06532	21.0
97.10170	40.5
98.98464	80.5
99.08080	4.8
105.06977	1.2
107.08593	27.6
109.10155	29.3
111.08089	13.8
111.11720	11.1
115.11205	2.2
121.10143	63.2
123.11698	12.4
125.09621	5.7
125.13206	1.6
127.11149	1.4
131.84715	1.1
135.11694	52.3
137.12518	1.0
137.13280	12.1
139.11211	3.2
149.13263	22.4
151.14832	11.3
153.12701	2.9
155.14299	1.5
163.13506	1.2
163.14827	8.8
165.16350	1.5
169.15668	1.2
174.99335	1.4
177.16405	4.0
179.89365	1.0
191.17963	2.3
198.03928	1.3
200.23270	1.2
201.29428	1.5
230.20326	1.1
233.22643	47.8
251.00006	1.3
251.10657	1.4
251.14198	1.7
251.23703	100.0
252.23904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2371
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.03939	2.4
55.01855	1.2
55.05514	57.9
57.03441	4.3
57.07079	22.7
59.04998	0.9
65.03929	1.2
67.05506	59.6
69.07072	77.3
69.29519	3.8
69.29955	3.9
71.04976	3.9
71.08644	11.5
79.05023	0.9
79.05495	30.5
81.07059	68.8
82.07345	1.1
83.04987	2.5
83.08626	54.8
85.06551	4.2
85.10191	6.1
86.77473	1.0
91.05474	4.6
93.07047	38.9
95.04971	1.1
95.08609	63.9
97.06535	18.6
97.10175	40.9
98.98471	100.0
99.08100	2.4
99.13176	0.9
101.09629	1.2
105.07037	1.4
107.08594	24.5
109.10157	25.2
110.59891	0.8
111.07388	1.1
111.08089	13.6
111.11725	11.1
113.09642	1.6
116.99512	0.9
119.08599	1.9
121.10150	56.1
123.11722	12.0
125.09624	4.1
125.13255	1.9
127.11175	1.8
135.11691	46.5
136.12039	0.9
137.13254	10.8
139.11145	3.0
141.12724	1.9
149.13274	18.8
151.14780	8.5
153.12730	1.9
155.14334	2.1
163.14841	6.2
165.16383	1.4
174.99236	3.0
177.16428	4.8
191.17964	2.2
233.22653	45.1
251.23712	91.8
252.23978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
69.03420	0.5
69.64396	1.6
70.06588	0.2
71.04984	0.7
73.02900	1.1
77.66356	0.2
87.12652	0.2
94.04046	0.7
98.97614	0.4
98.98455	0.7
99.04459	1.1
107.04955	0.3
110.97598	0.3
117.05500	2.2
119.03537	1.4
136.06186	100.0
137.06560	0.7
193.32510	0.3
234.07593	0.3
252.10866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.54489	0.5
51.31896	0.5
52.40417	0.6
60.04528	64.9
69.03408	0.5
69.42093	4.5
70.02946	0.9
81.04533	1.3
84.08131	1.9
86.09711	0.9
87.05585	2.4
91.05466	0.8
98.16484	0.5
98.98471	27.2
100.72668	0.7
100.98890	0.7
103.05489	3.3
103.06086	0.5
105.07034	0.8
107.04949	2.2
109.46288	0.5
110.07178	1.2
116.99497	0.7
117.01429	0.6
120.08105	100.0
122.07236	0.7
124.08745	0.8
131.04945	2.9
132.08095	0.9
139.18703	0.6
144.08102	2.6
149.05978	1.8
155.10318	0.5
159.02808	0.6
162.09189	2.5
166.08646	64.5
172.07623	0.6
176.98914	0.6
186.63748	0.6
206.08220	0.8
207.11299	15.7
219.04904	1.1
225.17188	0.9
235.10773	4.0
253.11864	9.6
253.16495	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03946	0.8
55.01874	3.9
55.05519	3.1
57.03437	1.0
57.07084	0.9
59.05009	0.4
65.03959	0.9
67.05509	13.3
69.03426	1.5
69.07072	4.1
69.13477	4.9
69.23148	0.4
71.05001	1.9
77.44589	0.4
78.29093	0.4
79.05493	6.7
81.03407	2.1
81.07061	13.2
82.70518	0.4
83.04985	3.0
83.08622	0.8
85.06557	1.2
89.04221	0.4
91.05490	11.8
93.07045	5.0
95.04977	2.6
95.08613	2.7
97.06518	1.2
97.45956	0.5
98.20821	1.0
98.98473	100.0
99.04459	0.8
100.98891	1.0
105.07041	9.8
105.84134	0.4
107.04953	1.3
107.08597	8.7
109.06534	1.8
109.10165	13.8
113.06009	0.7
116.99503	1.1
119.08562	1.6
122.44955	0.5
123.11716	3.0
127.07603	0.9
131.08488	0.6
133.10138	19.8
134.36981	0.4
134.42287	0.4
140.01082	0.5
141.07043	0.5
143.08531	0.7
151.11186	9.6
161.09589	1.0
165.12683	0.5
167.08548	0.5
169.10031	0.5
169.12260	1.2
174.99226	1.7
176.98946	1.3
191.99434	0.5
195.33893	0.5
197.11752	0.8
210.06741	1.1
211.14841	0.6
225.09134	1.4
225.12694	0.6
238.06235	0.7
253.04955	1.4
253.08737	3.0
253.14333	33.9
253.19586	1.4
253.27095	1.0
254.14648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03945	2.2
53.57020	0.6
54.35760	0.6
55.01886	2.9
55.05515	5.0
55.76004	0.6
57.07072	0.8
65.03932	1.1
66.41584	0.5
67.05508	7.1
69.03428	3.1
69.07079	4.7
70.06612	0.6
71.04981	3.3
79.05501	12.1
81.03423	2.3
81.07059	15.6
83.04980	4.0
83.08640	2.7
85.02971	0.6
85.06551	2.5
90.21399	0.6
91.05488	8.7
93.07047	18.1
95.04974	6.4
95.08616	9.1
97.02908	1.2
97.06535	4.6
97.10149	1.2
98.59565	0.5
98.98472	100.0
99.04459	2.6
99.08091	0.7
100.11255	0.6
100.98897	1.2
103.05466	3.6
105.04543	0.8
105.07037	13.2
107.04961	27.2
107.08598	9.4
109.02886	2.0
109.06530	9.0
109.10161	4.0
111.04449	0.9
111.08118	4.0
113.06020	1.0
113.09589	0.7
115.05473	1.1
116.99523	1.7
117.07005	1.7
119.04935	1.1
119.08581	8.3
120.54958	0.5
121.02892	1.3
121.06515	22.0
121.07397	1.1
121.10156	2.8
121.52113	0.7
123.04431	2.1
123.08071	2.5
123.11696	1.2
125.05998	3.9
125.09711	0.6
126.40466	0.5
127.07571	2.8
128.06235	1.3
129.07014	2.5
131.04950	6.1
131.08575	3.2
133.06488	1.6
133.10143	8.7
135.04453	1.4
135.08063	5.3
135.11673	1.2
137.05978	1.6
137.09624	1.2
139.07561	5.5
139.11205	1.0
140.01039	0.7
141.05536	1.0
141.07043	1.5
142.07813	1.7
143.07048	1.3
143.08537	4.9
145.06473	1.1
145.10127	4.4
147.04390	1.1
147.08073	2.3
147.11697	10.5
149.09631	1.0
149.13263	0.9
151.03918	0.6
151.07541	0.9
151.11186	1.1
153.06972	1.5
153.09140	0.6
154.07777	1.1
155.08551	2.2
156.09355	1.9
157.06496	0.6
157.10138	6.0
159.04402	3.2
159.08080	1.1
159.11726	1.7
161.05936	1.3
161.09686	1.0
161.13263	4.3
165.05669	0.9
165.06953	3.9
165.12767	1.5
166.07770	1.5
167.08633	0.7
169.06459	0.6
169.10146	2.5
171.08032	1.1
171.11699	6.0
173.09668	1.5
173.13210	1.1
174.99249	1.0
175.05118	0.5
175.11171	6.6
176.98907	1.4
177.05507	1.5
177.06985	0.7
178.07800	1.1
179.08606	1.4
181.06508	2.0
181.08730	0.6
181.10155	2.5
182.07285	2.6
182.10861	0.6
182.15422	2.4
183.08055	1.2
183.11713	1.7
184.76065	0.6
185.09723	0.8
189.12773	9.1
193.06543	1.6
193.12242	4.8
194.07281	0.7
195.08040	0.9
195.11760	1.1
197.06023	0.8
197.09627	1.7
197.11598	0.6
197.13274	2.1
199.11186	8.5
207.08086	0.8
207.13855	2.9
209.13219	0.7
210.06769	7.0
210.14946	2.5
211.11285	1.4
211.14859	2.3
217.12254	21.9
217.15738	1.1
217.19557	1.2
221.06030	1.8
225.09100	5.7
235.13275	17.1
235.17009	1.3
238.06259	4.8
253.04919	1.1
253.08650	19.3
253.12129	1.7
253.13966	5.8
253.19749	6.2
253.21910	1.0
254.09227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
56.96568	1.2
57.03446	4.7
61.02917	2.7
69.03423	3.8
69.32948	3.0
69.33380	2.5
70.06589	0.7
71.01383	1.0
72.08170	0.7
72.54924	0.6
73.02933	3.7
73.03261	0.7
76.06432	0.7
78.03463	1.5
80.05041	3.4
85.02905	5.9
96.04488	0.8
97.02879	2.8
98.97598	0.8
98.97908	0.8
98.98462	5.2
100.29428	0.6
101.00859	1.4
102.47928	0.7
106.02921	6.9
110.07165	5.3
110.97625	0.7
115.02413	0.8
115.03973	2.0
123.05561	100.0
124.03941	3.2
126.98810	1.2
127.03886	1.0
131.01941	0.8
133.04959	2.5
143.01920	2.0
144.99823	2.9
145.03450	1.5
152.07063	1.2
153.05753	0.8
154.31514	0.6
156.07652	0.8
160.04771	1.0
160.54860	1.3
161.03017	1.2
169.05396	1.0
172.99347	1.1
173.03038	0.8
177.02489	0.8
209.14029	0.9
227.04066	0.7
251.02682	1.3
255.06306	1.6
255.14348	0.8
256.03140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0652
Annotation	7758-73-8
Peak:m/z	Relative Intensity
55.99689	0.4
68.99787	1.4
69.32915	4.0
70.22566	0.4
80.07464	0.5
86.94530	0.5
111.45744	0.5
139.70963	0.6
149.10970	0.5
160.49115	0.6
171.04407	29.3
181.06419	0.7
184.05298	0.9
195.04520	0.8
208.46776	0.5
209.06021	0.6
212.04688	80.8
213.05005	0.7
227.07033	100.0
228.07317	1.5
246.64088	0.5
255.06532	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0652
Annotation	Densiflorol B
Peak:m/z	Relative Intensity
55.01870	2.3
55.05502	0.9
57.03429	1.4
58.10332	0.7
61.26726	0.6
67.05511	3.2
68.99783	1.1
69.03436	0.8
69.07081	1.0
70.57330	2.0
71.01369	0.7
72.29285	0.8
79.05493	3.0
81.07056	1.3
89.70678	0.7
91.05495	4.4
93.07047	3.8
97.06522	1.0
98.98454	3.3
105.07054	1.2
107.04977	1.8
107.08563	2.4
115.05456	3.3
119.04931	1.6
119.08561	0.8
128.06207	1.5
129.07013	1.2
132.56105	0.7
132.81044	0.8
133.06529	0.9
135.11703	2.8
139.05388	3.8
141.06990	5.1
143.04980	1.1
143.08615	0.9
145.10194	1.1
152.06200	2.4
153.06990	3.2
155.08521	1.1
156.05679	1.6
157.06511	4.5
161.05956	3.4
165.06996	4.4
166.07770	1.1
167.04932	2.2
167.08614	1.4
168.05739	2.3
169.06512	4.0
171.04390	45.5
171.05563	4.8
172.04863	0.8
178.07765	0.8
179.08594	2.7
180.05722	2.3
181.06442	9.3
182.07332	1.7
184.05214	10.8
185.06035	2.0
188.04565	0.9
194.07314	1.5
195.04335	11.7
195.08058	6.8
197.05997	7.8
197.09541	1.7
199.07550	3.0
207.08067	1.9
208.05267	1.2
209.05937	5.5
209.09734	1.6
212.04694	18.9
212.08180	0.8
223.03926	30.2
223.07443	12.9
224.08406	1.9
225.05557	1.3
225.09198	0.8
226.06190	1.6
227.07022	54.5
237.09175	1.4
240.04080	0.9
240.07837	6.6
255.06563	100.0
255.10181	20.9
255.20970	1.2
256.06943	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	255.0654
Annotation	Chrysin
Peak:m/z	Relative Intensity
51.01385	0.2
53.03934	0.5
55.01886	0.6
55.05514	2.4
57.03444	3.6
57.07055	0.8
65.92339	0.3
66.91914	0.3
67.01859	1.7
67.05190	0.4
67.05508	6.1
68.99787	1.9
69.03390	0.6
69.07072	2.0
71.01360	0.5
71.04974	0.6
71.22486	0.5
79.05070	0.5
79.05496	5.9
81.03400	0.7
81.07059	3.3
83.04985	1.9
83.08602	0.6
85.06541	0.6
91.05481	5.1
93.06492	0.4
93.07045	6.7
95.04965	0.9
95.08618	1.6
97.06554	2.0
97.10156	1.4
98.98471	10.0
99.08051	0.5
100.98866	0.4
103.05473	3.0
105.03384	1.3
105.04494	0.4
105.07023	1.1
105.93403	0.3
107.04959	0.4
107.08595	4.2
109.10128	1.3
111.08053	0.3
115.05482	0.5
117.07033	0.8
119.04928	1.0
119.08549	1.2
121.06492	0.4
121.10117	1.2
125.09600	0.6
128.06210	0.6
129.03358	1.6
129.06969	0.3
131.04907	0.6
131.08604	0.4
133.10100	0.9
135.10709	0.5
135.11691	7.3
141.06990	0.6
143.08546	0.6
145.10184	1.8
147.04414	5.5
152.06163	1.2
153.01830	8.2
153.06975	1.5
154.07767	0.4
155.08508	0.3
157.06487	1.0
157.10110	0.3
163.11165	0.9
165.06989	1.4
166.07794	0.5
167.08574	2.0
169.06500	1.0
169.10202	0.4
171.02975	0.5
171.04405	2.4
171.08119	0.5
171.11661	0.5
175.03915	19.4
176.98907	0.3
177.07001	0.6
178.07768	0.6
179.08540	1.3
180.05708	0.4
181.05151	0.4
181.06517	2.5
181.10056	0.5
181.12233	1.0
182.07251	0.9
183.08032	0.4
184.05180	0.7
184.08833	0.7
185.05971	0.6
187.07570	0.5
194.07314	0.7
195.04411	0.5
195.08051	4.4
196.08798	1.2
197.06009	3.2
197.09624	1.3
199.04057	0.4
199.07588	0.7
199.11165	0.3
199.14812	0.3
207.08192	0.3
209.05977	1.7
209.09654	0.7
211.07533	1.0
212.04736	5.4
212.08287	4.8
213.05460	1.1
213.12846	0.3
223.03886	0.5
223.07515	2.0
224.08267	1.3
225.05481	0.8
225.09142	0.7
227.07056	5.8
227.10559	1.9
237.05547	0.7
237.09114	0.5
239.06972	0.4
240.04120	0.8
240.07829	4.3
255.06511	100.0
255.10115	29.5
255.15442	3.1
255.21040	1.0
256.06900	1.1
256.10568	0.5
256.26288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.61090	0.4
56.96552	0.5
57.03442	3.8
57.19701	0.4
59.04994	0.6
61.02925	1.2
69.03436	2.9
69.86353	2.1
71.01350	1.1
71.55809	0.4
73.02919	3.1
78.03463	1.1
80.05023	3.3
84.51202	0.4
85.02926	2.2
87.04516	0.7
96.04487	0.5
97.02876	1.5
98.97549	0.5
103.03961	0.7
106.02916	7.3
110.07175	1.9
115.03951	1.4
119.01923	0.4
123.05556	100.0
124.03964	4.0
124.05917	1.2
131.01921	0.4
133.04974	3.0
156.07710	0.5
186.07428	0.4
220.75230	0.5
265.51483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.63946	0.3
53.03938	1.5
55.01859	1.4
55.05513	6.8
57.03440	12.4
57.07076	1.0
65.03942	0.6
67.05508	20.8
69.03426	0.8
69.06728	0.5
69.07072	5.5
69.48340	1.0
69.48746	1.4
71.01366	2.2
71.04986	2.3
75.04459	0.5
79.05495	17.7
81.03396	1.9
81.07061	9.1
83.04560	0.4
83.04984	4.5
83.08627	1.8
85.02889	0.6
85.06551	1.8
91.04911	0.4
91.05479	7.7
93.07047	19.7
95.04949	1.3
95.08614	3.7
97.06526	4.9
97.10174	4.3
98.98469	4.3
99.04459	0.7
99.08090	1.0
105.07021	1.6
106.46061	0.3
107.04932	2.3
107.08599	13.3
108.05310	0.6
108.28415	0.3
109.06505	0.7
109.10162	3.4
111.08074	0.8
111.11761	0.5
115.05439	1.0
117.07030	2.2
118.01331	0.4
118.68954	0.3
119.08592	2.6
121.06499	0.6
121.10141	3.4
123.08021	0.5
125.09637	0.8
125.34254	0.3
129.07010	0.5
129.08656	0.3
130.07727	0.4
131.04916	1.3
131.08556	0.5
132.04483	0.4
133.10123	1.6
135.08067	0.5
135.11696	26.0
136.12045	0.4
137.06055	0.3
137.09622	0.7
141.07019	2.1
143.08493	0.4
145.10110	3.5
152.06209	3.8
153.07002	2.6
153.12727	0.8
154.07729	0.7
155.04990	0.5
156.05602	0.4
157.06532	0.5
157.10144	0.5
158.06042	0.6
161.05971	0.5
163.11171	2.6
163.74042	0.4
165.07014	6.1
166.06540	0.4
166.07780	1.7
167.08586	4.1
169.06496	8.1
171.04395	1.0
171.08041	0.6
173.13228	0.4
174.05547	2.0
176.06203	1.1
177.06975	3.1
179.08566	0.4
180.05646	2.0
181.06483	9.5
181.12257	4.9
181.68530	0.4
182.07259	1.2
183.08054	1.6
184.05157	0.8
184.08890	0.7
185.06081	0.6
185.09592	0.4
186.06799	0.5
186.09160	0.4
193.06474	0.5
194.07253	1.3
195.08064	15.4
196.08846	10.0
196.10197	0.2
197.05983	20.2
197.09488	0.8
198.06715	0.6
199.07550	1.0
199.87001	0.4
200.07042	0.8
205.06429	1.1
208.05170	2.8
209.05962	7.3
209.09485	0.6
210.06715	1.1
210.09067	0.5
211.07513	2.6
212.04724	2.0
212.08406	13.1
213.09181	2.5
222.06741	0.7
223.07541	4.0
224.08327	19.3
225.05464	9.1
225.09065	1.2
227.07242	3.0
227.10652	25.0
228.10112	1.8
230.08142	0.9
237.09068	0.4
237.14827	0.5
238.08673	1.5
239.07088	1.1
240.07809	32.6
241.08185	0.8
255.06111	2.6
255.06781	2.8
255.10164	100.0
255.15738	10.4
255.20877	0.9
256.09702	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	255.1016
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01871	1.3
55.05505	0.8
55.89730	0.5
69.62148	0.6
81.07030	0.8
83.08641	0.6
84.82375	0.6
91.05492	6.5
93.01361	0.6
95.08602	0.7
98.98447	1.4
102.87090	0.7
105.07037	0.7
107.04915	1.3
109.22783	0.6
119.04942	3.9
124.78440	0.6
129.06993	0.8
129.58748	0.6
131.04918	1.3
133.06494	0.8
137.05954	1.9
141.07016	1.7
144.76772	0.6
152.06223	1.8
153.06981	1.9
154.07761	2.1
155.08563	1.2
157.06522	5.8
165.06955	4.0
166.07770	2.2
167.08589	6.0
169.06508	1.5
169.10120	2.3
171.08023	0.7
177.07051	2.0
178.07780	5.8
179.08575	17.4
181.06503	7.8
181.10147	1.1
182.07298	10.4
183.07997	2.1
184.08904	1.4
185.05942	3.7
191.08591	1.0
192.05737	0.8
194.07289	2.9
195.08078	5.8
196.08856	1.7
197.05989	3.4
197.07779	1.2
197.09622	15.9
199.11229	0.7
205.06493	0.7
206.07347	0.9
207.07983	5.9
209.09596	4.5
210.06783	10.0
211.07597	1.1
212.04695	1.0
212.08351	5.6
222.06865	1.0
223.07468	3.2
224.08353	1.4
225.05565	0.8
225.09113	12.5
227.07063	1.5
227.10631	5.7
237.09128	2.2
240.07848	5.0
255.10179	100.0
256.10532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01862	1.0
69.17668	4.2
69.18093	2.7
75.37267	0.7
87.29250	0.7
91.05484	9.2
98.21466	1.7
98.98442	1.7
101.00930	0.7
105.07032	1.1
107.04958	2.0
119.04960	5.4
129.06978	1.3
131.04924	2.3
133.06531	1.5
137.05986	2.7
141.06999	3.0
152.06190	1.9
153.07011	2.0
154.07765	2.0
155.08551	1.6
157.06494	5.1
165.06987	3.1
166.07741	2.6
167.08586	9.2
168.05721	1.0
169.06503	2.1
169.10121	2.7
177.06992	1.9
178.07794	6.6
179.08571	18.0
181.06491	7.7
182.07297	13.3
183.08057	1.5
185.05981	3.7
191.08484	1.1
194.07260	3.5
195.08046	6.6
196.08896	1.5
197.05991	3.8
197.09630	14.9
199.11139	1.2
207.07959	6.0
209.09625	4.1
210.06783	10.2
212.04680	1.3
212.08319	5.4
223.07480	3.4
224.08430	1.6
225.09120	15.3
226.09537	0.7
227.07045	1.8
227.10669	7.4
237.09036	3.7
240.07840	4.6
255.10176	100.0
256.10587	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	255.1018
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.94546	0.3
55.01860	0.5
55.05497	1.2
57.03413	0.5
57.07072	0.5
59.04996	1.0
62.81466	0.3
67.05495	1.1
69.03426	0.8
69.07054	1.2
70.58092	1.1
79.05481	0.8
81.07047	1.3
83.04980	0.7
83.08616	0.4
91.05463	1.4
93.07029	1.0
95.08605	0.9
97.34895	0.3
97.84998	0.3
98.98465	3.9
102.22039	0.3
105.07010	0.5
107.04949	0.5
107.08575	0.8
113.68028	0.3
115.05474	0.4
119.04938	0.4
119.08571	0.5
121.10152	0.4
128.06236	0.6
129.06960	0.5
131.04922	0.9
131.08618	0.4
135.08069	0.4
135.11693	1.0
137.06006	0.4
141.06932	0.8
143.08560	1.2
144.05655	0.3
145.10095	0.4
152.06213	2.0
153.06990	1.3
153.12686	0.4
155.08598	0.6
156.09351	0.5
157.06500	1.0
157.10100	0.4
158.07266	0.5
159.08080	0.4
161.98801	0.3
165.06989	3.3
166.07799	1.8
167.08575	4.4
168.05743	0.4
169.06500	2.7
169.10152	0.6
169.64789	0.3
170.07344	0.6
171.04433	1.8
171.08084	1.5
171.11682	0.5
174.67413	0.3
176.06192	0.9
177.06995	4.5
178.07709	0.9
179.08636	1.5
181.06494	5.0
181.10101	0.8
182.07248	1.4
183.08055	1.2
184.05165	0.5
184.08826	2.7
185.05960	0.6
185.09645	0.7
185.13297	0.4
187.07433	0.5
188.07239	0.4
194.07288	3.4
195.08052	22.1
196.08838	7.3
197.05984	13.0
197.09651	3.8
198.06812	0.5
199.07672	0.5
199.11208	2.0
207.08032	0.7
209.05919	0.6
209.09607	3.5
211.07570	4.2
212.04987	3.5
212.08327	24.5
213.08932	0.5
219.21072	0.5
222.06747	0.7
223.03922	0.5
223.07535	8.3
224.08345	4.5
225.05458	3.0
225.09099	0.6
227.07040	4.1
227.10619	6.0
237.09087	1.7
237.16391	0.4
239.06990	2.0
240.07820	15.7
255.06783	3.3
255.10167	100.0
256.10464	1.9
260.26022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.08346	0.3
53.03945	0.4
54.36402	0.3
55.05500	1.1
57.03429	1.7
57.07077	0.6
67.05505	4.2
69.07086	0.6
69.83636	1.5
71.01328	0.4
79.05496	3.6
81.03442	0.4
81.07053	1.9
83.04971	1.1
91.05470	1.4
93.07051	3.4
95.08597	0.5
97.06516	1.0
97.10153	1.0
98.98470	4.2
100.98845	0.3
105.07015	0.5
107.08604	2.8
109.10160	0.8
115.05457	0.5
117.07024	0.4
121.10165	0.5
129.07022	0.8
131.04924	0.5
135.11688	3.9
141.07043	1.5
143.08604	0.4
145.10170	0.7
152.06186	3.8
153.06976	2.1
154.07698	0.7
155.04890	0.5
155.08534	0.7
157.06483	1.0
165.07001	5.3
166.07791	1.3
167.08582	3.3
168.05716	1.1
169.06491	5.5
169.10129	1.0
171.04401	3.3
171.08035	0.5
176.99091	0.3
177.06982	0.7
178.07799	2.8
179.08575	4.9
180.05676	2.6
181.05017	0.6
181.06482	7.4
181.12253	0.6
182.07295	2.7
183.08083	2.0
184.08879	2.1
184.10347	0.5
185.05984	0.8
194.07368	0.7
195.08076	8.0
196.08841	11.6
197.05986	8.6
197.09621	4.9
198.06685	0.6
199.07561	1.0
199.11232	0.5
207.08002	2.3
209.05937	0.4
209.09589	0.7
211.07562	2.8
212.04791	7.5
212.08322	18.1
213.09138	1.5
221.05803	0.4
223.07692	0.5
224.08369	0.6
225.05396	0.7
225.09085	1.2
226.09895	0.5
227.07056	10.4
227.10565	4.0
237.09061	0.5
240.07777	1.7
241.08548	1.1
255.06639	6.2
255.10172	100.0
256.10727	4.1
256.26358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1016
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
70.03509	1.4
70.87212	0.4
73.06407	0.3
99.72303	0.4
144.75079	0.5
152.06187	2.3
153.06982	0.5
154.59291	0.4
165.06993	2.7
165.58353	0.4
166.07809	0.7
167.08574	3.2
169.06497	3.1
176.06238	0.9
177.06976	3.4
180.05617	1.0
181.06491	9.2
184.05171	0.6
193.06482	1.1
194.07262	1.0
195.08066	7.6
197.05986	17.7
205.06551	0.9
208.05214	4.0
209.05986	10.2
210.06641	1.7
211.07478	1.3
212.04724	0.5
212.08304	1.6
222.06842	0.6
223.07541	1.8
224.08331	34.0
225.05482	13.6
225.08911	1.1
239.06790	0.6
240.07813	41.6
241.08221	1.1
255.10164	100.0
256.10480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03919	0.3
55.01858	0.9
55.05515	2.8
55.49555	0.3
56.15189	0.3
57.03193	0.4
57.03437	4.3
57.07073	0.7
57.98846	0.3
66.76251	0.4
67.05504	5.7
69.07074	3.1
71.01368	0.5
71.04989	0.7
71.48511	0.4
79.05080	0.5
79.05499	6.0
81.03412	1.0
81.07056	3.8
82.07317	0.3
83.04984	1.5
83.08604	1.0
85.06544	0.6
91.03889	0.3
91.05479	4.3
93.06485	0.5
93.07047	6.9
95.04951	1.1
95.08609	2.3
97.06528	1.9
97.10182	1.5
98.97871	0.5
98.98468	5.8
99.08060	0.3
103.05501	0.3
105.04595	0.3
105.07043	1.5
107.04936	1.2
107.08595	4.4
109.06484	0.5
109.10127	1.3
111.08086	0.6
111.75644	0.3
115.05452	1.0
117.07033	0.9
119.04974	0.5
119.08573	1.2
121.02824	0.5
121.06472	0.6
121.10126	1.1
123.11676	0.3
127.04007	0.3
128.06224	0.6
129.06999	0.7
131.04892	1.6
131.08542	0.7
133.06468	0.5
133.10133	0.8
134.48500	0.3
135.10698	0.6
135.11699	8.5
137.05962	0.3
139.05421	0.4
141.06979	1.4
141.46107	0.3
142.07799	0.4
143.08578	0.6
145.06453	0.4
145.10139	2.3
147.04402	0.6
147.08046	0.4
147.11684	0.4
152.06190	3.1
153.06987	1.0
154.07784	0.6
155.04921	0.4
155.08537	1.0
156.09299	0.3
157.06482	1.3
157.10120	0.8
159.11710	0.4
161.05949	0.6
163.11148	1.1
165.07007	3.3
166.07787	1.4
167.08568	4.8
169.06497	2.7
169.10129	1.5
171.04398	3.6
171.08037	0.9
171.11671	1.0
175.03909	1.2
176.06253	0.8
177.06996	3.8
178.07780	3.4
179.08556	5.3
180.05679	0.9
181.06474	8.5
181.10114	0.8
181.12207	1.5
182.07281	2.8
183.08055	1.0
184.05219	2.1
184.08731	0.4
185.09732	0.6
185.13293	0.4
191.08594	0.5
192.05632	0.3
193.06508	0.6
194.07266	2.9
195.08057	10.0
195.11699	0.4
196.08760	1.3
197.05988	14.8
197.09631	6.0
199.07611	0.7
199.11215	1.0
199.14882	0.4
201.12788	0.3
205.06487	1.1
206.07271	0.5
207.07892	2.9
208.05231	2.6
208.08394	0.3
209.06006	8.7
209.09456	2.2
210.06792	1.8
211.07474	1.8
211.11317	0.3
211.14618	0.4
212.04686	10.5
212.08234	3.9
213.05112	0.5
213.09053	0.7
222.06804	1.8
223.03952	0.7
223.07527	4.1
224.08328	24.2
225.05479	9.5
225.08916	2.2
227.07037	14.9
227.10455	2.9
237.09003	1.5
239.07039	0.9
240.07806	32.8
241.08182	0.9
255.06575	11.8
255.10164	100.0
255.21106	1.2
256.06848	0.3
256.10526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03950	0.8
55.01867	1.7
55.05508	2.5
57.03431	2.8
57.07074	2.0
65.03932	1.0
67.05508	6.3
67.21314	0.7
67.82529	0.6
69.07078	2.3
70.92419	1.4
71.04984	0.7
78.83732	0.5
79.05512	4.4
81.03426	1.2
81.07061	3.9
83.04976	2.3
83.08624	0.8
85.02931	0.7
85.06580	1.1
91.05483	7.0
93.04444	0.6
93.07043	6.5
95.08621	3.1
97.06515	1.3
97.10155	0.9
98.98470	12.5
105.07026	2.7
107.04954	2.1
107.08613	3.5
109.10148	2.1
110.82998	0.6
111.08105	1.3
115.05513	1.0
117.06996	1.1
119.04941	1.3
119.08628	1.2
128.06276	1.1
129.06956	1.3
131.04933	1.5
131.08560	1.1
133.06503	1.4
133.10159	1.1
135.11707	5.8
137.06042	1.4
139.05457	0.7
141.06990	2.5
143.08595	1.4
145.10136	2.4
152.06206	5.7
153.06956	1.5
154.07770	1.2
155.04956	0.9
155.08551	0.9
157.06473	2.6
157.10110	1.4
159.08078	0.8
159.11723	0.9
165.06998	6.1
166.07806	2.3
167.08557	4.9
168.05672	0.9
169.06526	4.3
169.10144	2.1
171.04396	5.1
171.08070	1.5
171.11720	1.2
177.07005	2.4
178.07825	2.7
179.08588	7.0
180.05692	9.9
180.09270	0.7
181.06467	5.7
181.08604	1.7
181.10196	1.9
181.12354	0.8
182.07281	5.5
183.08073	1.5
184.05177	2.3
184.08894	1.1
185.06035	1.4
185.09663	0.9
185.13234	1.0
191.08626	1.5
192.05717	2.3
194.07268	2.5
195.04375	1.4
195.08040	22.5
195.11734	0.9
196.08861	2.0
197.05994	12.8
197.09628	3.9
197.13272	0.8
199.09644	2.2
199.11264	1.2
199.14865	1.1
205.06499	2.0
207.04346	1.0
207.08035	1.5
208.05183	6.4
209.05957	3.9
209.09656	2.7
210.06804	4.4
211.07619	1.9
212.04700	9.1
212.08333	6.1
221.05974	0.8
222.06754	4.4
223.03964	2.2
223.07535	51.5
224.08298	9.0
225.05505	4.9
225.09070	6.0
227.07033	14.7
227.10463	4.1
237.09212	2.9
237.16412	1.0
239.07071	1.2
240.04219	1.2
240.07817	27.7
255.06590	16.3
255.10199	100.0
255.21167	2.3
256.10538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01863	2.4
55.05276	1.0
55.05514	13.0
56.46634	0.7
57.03166	1.4
57.03437	28.3
57.07058	3.3
65.03937	1.7
67.05142	1.4
67.05506	42.4
69.07068	13.3
69.83163	4.1
71.01338	2.5
71.04988	4.3
79.05493	43.8
80.51984	0.7
81.03424	4.9
81.06598	1.4
81.07056	21.5
83.04974	12.1
83.08633	4.5
85.06527	3.3
86.06062	1.1
91.05477	18.9
93.07045	41.5
93.60170	0.7
95.04950	4.7
95.08615	6.4
97.06520	11.1
97.10169	9.3
98.98470	6.6
99.08079	2.4
100.07618	1.4
105.07014	3.4
105.39071	0.8
107.04957	1.5
107.07879	1.5
107.08591	28.6
109.10158	4.6
111.08070	2.0
114.24326	0.7
117.07023	3.7
119.08588	5.7
121.06488	1.6
121.10129	5.9
125.09665	2.1
128.06210	1.2
129.07042	1.0
133.10158	3.6
135.08047	1.1
135.11691	51.0
135.84103	0.7
137.09587	1.8
141.06946	0.9
143.08548	1.7
145.10112	8.0
152.06160	4.5
153.06976	1.6
153.12726	1.6
154.07774	1.1
155.08548	0.8
157.06520	0.8
157.10138	2.0
163.11182	6.4
165.06940	3.6
166.07756	1.0
167.08583	2.9
169.06491	5.1
171.04391	1.4
175.03827	0.8
180.05699	2.4
181.06506	6.6
181.12250	7.3
181.44923	0.8
182.07169	1.8
183.08061	2.3
184.08827	2.1
194.07231	1.4
195.08031	8.2
196.08841	12.6
197.05971	7.7
197.09616	0.9
198.06671	1.1
199.11186	1.3
209.09549	1.1
211.07486	1.8
212.04814	4.8
212.08302	16.3
213.08942	1.3
217.79015	0.9
223.04088	0.8
223.07448	1.1
224.08415	1.0
225.05501	1.1
225.09010	0.9
227.07043	5.4
227.10638	4.8
237.16426	1.0
240.07794	3.6
255.06424	5.1
255.10161	100.0
255.15755	28.8
255.25163	6.6
256.06900	0.9
256.10513	2.2
256.26407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01863	3.2
55.05513	27.5
57.03442	47.3
57.07058	3.9
64.34530	1.2
67.05508	81.9
68.71261	1.3
69.03418	1.7
69.07072	23.0
69.44744	8.5
70.06570	2.5
71.01331	4.8
71.05006	7.4
71.98132	1.4
74.61825	1.2
77.03910	1.2
79.05498	69.1
81.03432	9.9
81.07063	39.2
83.04987	24.4
83.08609	4.9
85.06535	5.4
88.07634	2.7
91.05489	33.6
93.07048	78.0
95.04963	5.6
95.08618	12.7
97.06532	19.1
97.10168	13.4
98.98479	25.0
99.08084	3.2
100.56487	1.4
100.98892	1.8
102.09171	2.3
103.05467	1.6
105.04511	2.1
105.07029	7.8
107.04937	2.8
107.08598	50.9
109.06532	1.5
109.10151	7.6
111.08084	3.3
115.05428	2.0
117.07028	8.1
119.08583	8.9
121.06522	3.0
121.10169	10.7
125.09635	4.6
128.06207	1.3
129.06966	2.1
130.07799	1.5
131.04927	2.3
133.10135	6.2
135.08092	3.3
135.11702	84.8
137.09595	3.2
141.06966	1.8
143.08525	2.6
145.10143	16.1
147.04449	3.0
152.06244	3.6
153.06984	1.8
153.12772	1.9
157.06546	2.2
157.10165	2.3
159.11789	1.6
163.11192	9.8
165.07037	4.4
166.07817	1.7
167.08569	3.5
168.05811	1.4
169.06448	1.4
171.04390	4.7
175.03905	12.4
177.07079	2.4
178.07794	3.9
178.09283	1.4
179.08549	8.0
180.05753	2.5
181.06508	5.4
181.12271	11.3
182.07211	3.8
184.05222	2.3
185.06013	2.5
194.07320	2.8
195.08051	9.2
196.08862	4.2
197.06000	8.0
197.09605	5.2
197.13306	1.4
199.11153	2.2
207.08153	3.4
209.09622	2.1
210.06729	4.5
212.04701	10.4
212.08327	9.4
213.08939	2.1
223.03897	1.7
223.07533	2.4
224.08380	2.9
225.05563	1.6
225.09114	5.6
227.07028	13.6
227.10706	4.7
237.09087	2.3
239.07051	2.0
240.07780	13.2
252.09450	1.8
255.06624	16.6
255.10182	100.0
255.15854	49.0
255.21111	3.1
255.25055	2.1
256.07254	2.1
256.10425	4.0
256.26404	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01863	2.4
55.05276	1.0
55.05514	13.0
56.46634	0.7
57.03166	1.4
57.03437	28.3
57.07058	3.3
65.03937	1.7
67.05142	1.4
67.05506	42.4
69.07068	13.3
69.83163	4.1
71.01338	2.5
71.04988	4.3
79.05493	43.8
80.51984	0.7
81.03424	4.9
81.06598	1.4
81.07056	21.5
83.04974	12.1
83.08633	4.5
85.06527	3.3
86.06062	1.1
91.05477	18.9
93.07045	41.5
93.60170	0.7
95.04950	4.7
95.08615	6.4
97.06520	11.1
97.10169	9.3
98.98470	6.6
99.08079	2.4
100.07618	1.4
105.07014	3.4
105.39071	0.8
107.04957	1.5
107.07879	1.5
107.08591	28.6
109.10158	4.6
111.08070	2.0
114.24326	0.7
117.07023	3.7
119.08588	5.7
121.06488	1.6
121.10129	5.9
125.09665	2.1
128.06210	1.2
129.07042	1.0
133.10158	3.6
135.08047	1.1
135.11691	51.0
135.84103	0.7
137.09587	1.8
141.06946	0.9
143.08548	1.7
145.10112	8.0
152.06160	4.5
153.06976	1.6
153.12726	1.6
154.07774	1.1
155.08548	0.8
157.06520	0.8
157.10138	2.0
163.11182	6.4
165.06940	3.6
166.07756	1.0
167.08583	2.9
169.06491	5.1
171.04391	1.4
175.03827	0.8
180.05699	2.4
181.06506	6.6
181.12250	7.3
181.44923	0.8
182.07169	1.8
183.08061	2.3
184.08827	2.1
194.07231	1.4
195.08031	8.2
196.08841	12.6
197.05971	7.7
197.09616	0.9
198.06671	1.1
199.11186	1.3
209.09549	1.1
211.07486	1.8
212.04814	4.8
212.08302	16.3
213.08942	1.3
217.79015	0.9
223.04088	0.8
223.07448	1.1
224.08415	1.0
225.05501	1.1
225.09010	0.9
227.07043	5.4
227.10638	4.8
237.16426	1.0
240.07794	3.6
255.06424	5.1
255.10161	100.0
255.15755	28.8
255.25163	6.6
256.06900	0.9
256.10513	2.2
256.26407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
53.67242	1.7
54.79976	1.8
55.01871	4.0
55.05515	32.2
57.03439	54.1
57.07072	7.2
62.15298	1.7
65.03940	4.0
67.05508	85.2
69.07073	29.8
69.22154	4.0
69.22547	16.1
71.01339	5.4
71.04984	5.7
73.43443	1.8
79.05498	80.6
81.03414	12.3
81.07057	45.8
83.04989	27.9
83.08633	9.4
85.06552	5.0
91.04921	2.1
91.05485	46.6
93.07045	88.5
95.04964	7.1
95.08601	14.3
97.06548	21.0
97.10182	16.8
98.21471	4.0
98.98466	39.8
99.08081	4.8
100.98952	2.5
103.05505	2.1
105.04530	2.9
105.07013	11.5
107.04963	8.6
107.08597	53.5
109.10160	9.4
111.08073	5.2
115.05470	2.0
117.07018	10.5
119.04929	2.8
119.08602	13.9
121.06501	4.6
121.10139	15.2
125.09637	4.8
128.06285	3.8
129.07094	2.3
131.04951	4.4
133.10141	7.3
135.08093	3.6
135.11696	100.0
137.05992	2.8
137.09650	5.5
143.08572	4.4
145.10124	20.5
152.06209	3.6
153.06993	3.0
153.12740	2.9
156.09320	2.0
157.06497	3.7
157.10187	3.9
161.05917	2.4
163.11174	15.1
165.07010	5.0
166.07765	2.3
167.08557	6.4
169.10094	3.8
171.04399	15.5
171.08148	2.0
171.11687	3.0
178.07828	2.5
179.08580	6.0
181.06512	5.5
181.10156	3.2
181.12244	12.1
183.11681	2.2
184.05164	3.5
185.13292	2.0
195.08028	12.9
197.05974	6.4
197.09631	5.0
209.09634	4.8
211.14532	3.2
212.04675	29.8
212.08386	6.6
223.03918	3.3
223.07547	10.3
223.42464	2.0
224.08316	3.4
227.07018	34.4
227.10571	4.3
237.09113	5.3
240.07788	11.7
255.06573	36.7
255.10193	52.5
255.15735	51.1
255.21094	4.7
256.19025	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01857	4.3
55.05515	30.9
57.03441	51.6
57.07076	5.1
65.03934	3.0
67.05507	82.0
67.76237	1.0
69.03421	2.8
69.06732	1.7
69.07071	24.2
69.19804	10.6
71.01356	5.3
71.04996	8.4
76.71500	1.1
79.05495	79.4
81.03426	10.4
81.07059	40.0
83.04984	24.0
83.08628	8.2
85.06567	6.7
91.05483	29.6
93.07049	79.4
95.04971	7.9
95.08608	13.2
97.06538	21.6
97.10185	16.6
98.98491	7.4
99.04450	2.5
99.08089	3.1
105.04518	1.9
105.07032	7.0
107.04949	3.4
107.08599	54.7
109.10186	7.9
111.08086	3.4
117.07008	9.3
119.08597	11.0
121.06496	2.7
121.10149	11.2
125.09622	3.8
128.06189	1.7
129.06128	1.1
130.07777	2.8
133.10127	5.6
135.08081	2.4
135.11699	100.0
137.09625	3.8
143.08551	2.8
145.10127	16.1
152.06184	1.6
153.12741	3.7
153.44371	1.2
157.06500	1.3
157.10112	1.7
163.11180	11.0
165.06989	2.0
167.08615	2.0
171.04410	2.6
181.06441	2.8
181.10695	1.8
181.12219	12.8
182.07301	1.2
185.09534	1.2
194.07266	1.7
195.08093	10.5
196.08824	4.1
197.05940	7.5
197.09660	1.9
199.11285	1.1
209.06013	1.2
209.09528	1.9
211.07584	2.5
212.04729	4.2
212.08330	11.3
214.54068	1.2
223.07603	4.3
224.08189	3.1
225.05458	1.2
227.07034	7.9
227.10605	4.5
239.07098	1.9
240.07799	10.7
255.06592	6.0
255.10176	60.1
255.15869	55.2
255.21338	1.2
256.16513	1.2
276.78091	1.2
279.00784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99669	1.7
53.03935	5.7
55.01875	3.7
55.05516	30.9
55.44784	1.8
57.03445	52.6
57.07060	4.1
65.03933	3.1
67.05508	83.0
69.03413	3.2
69.06741	2.1
69.07073	24.8
70.06146	4.2
70.06538	3.8
71.01351	6.9
71.04993	7.2
73.46780	1.8
79.05498	81.1
81.03414	8.9
81.07062	43.0
83.04985	22.8
83.08614	7.9
85.06540	7.5
91.05482	33.6
93.07047	90.8
95.04980	9.8
95.08597	12.7
97.06541	22.4
97.10164	14.5
98.98465	11.8
99.08079	3.6
99.71085	1.9
105.07030	8.3
107.04945	5.1
107.08600	48.8
109.10164	10.3
111.08079	2.5
117.07048	11.0
119.08579	9.7
121.10156	11.7
125.09612	2.8
128.06224	2.6
129.07004	2.1
130.07761	2.2
133.10100	5.9
135.11699	100.0
137.09584	4.2
141.06958	2.4
143.08591	3.2
145.10143	19.3
153.07069	2.9
153.12672	2.8
157.06422	2.9
157.10057	2.8
163.11195	12.3
165.07047	2.4
167.08522	2.3
171.04401	3.1
181.12215	17.5
184.05193	2.2
195.08054	5.4
196.08813	3.2
197.06061	5.4
207.25456	1.8
209.09596	3.7
210.06699	2.7
212.04726	7.9
212.08368	4.1
223.07602	3.2
227.07014	11.5
227.10660	3.6
240.07843	6.7
255.06535	9.1
255.10205	44.2
255.15790	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.19208	0.5
55.01862	1.9
55.05239	0.7
55.05513	12.4
57.03440	21.0
57.07064	0.9
61.44363	0.6
65.03945	1.7
67.05506	29.5
69.03403	1.2
69.07079	9.9
70.20844	2.4
71.01350	3.5
71.04993	3.8
79.05495	26.1
81.03432	3.0
81.07055	14.8
83.04985	7.6
83.08595	2.4
85.06521	2.6
86.09742	0.5
91.05485	12.2
93.07047	32.1
95.04981	3.3
95.08617	5.7
97.02905	0.6
97.06538	8.0
97.10165	6.4
98.98480	4.1
99.08085	1.1
103.05396	0.7
105.04539	0.7
105.07061	3.9
107.04935	2.7
107.07886	1.0
107.08598	19.8
109.06477	0.9
109.10166	3.8
111.08057	1.8
117.07031	2.9
119.08573	4.6
121.06487	0.9
121.10153	4.8
125.09631	2.0
128.06171	1.0
130.07791	0.8
131.04877	1.3
131.08582	0.6
133.10101	2.2
135.08063	1.1
135.11694	38.0
136.11942	0.7
137.09610	1.1
138.13602	0.6
139.07571	0.7
141.06941	1.7
145.10143	6.1
149.78589	0.5
152.06178	4.5
153.07022	1.8
153.12721	1.8
155.06059	0.7
158.05942	0.9
160.23701	0.5
163.11185	4.8
165.06990	6.9
166.07820	1.1
167.07332	0.7
167.08536	3.8
169.06493	6.9
171.08009	0.7
174.05502	2.5
176.06296	1.0
177.07024	3.5
178.07735	0.9
180.05725	1.8
181.06458	11.3
181.12234	6.8
182.07216	1.5
183.08072	1.6
184.05226	1.0
184.07420	0.7
184.08882	1.2
186.09097	1.2
194.07237	2.1
195.08049	14.1
196.07407	0.8
196.08858	7.0
197.05981	22.9
198.06660	0.9
199.13162	0.7
200.07104	1.4
200.28038	0.6
202.08559	0.9
205.06445	1.2
207.08058	0.7
208.05196	4.1
209.05995	8.7
210.06741	1.6
210.09081	0.9
211.07498	2.7
212.04724	2.3
212.08478	9.3
213.09076	1.9
220.07536	1.3
222.06799	0.7
223.07527	3.8
224.08313	26.9
225.05432	10.1
225.08899	1.3
226.05939	0.6
227.07219	4.0
227.10649	17.9
228.10228	1.6
230.08185	0.8
238.08655	1.5
239.06891	0.9
240.07809	37.6
241.08551	0.8
255.10167	100.0
255.15813	13.9
256.09760	5.5
267.82883	0.6
275.28497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01876	6.3
55.05272	1.9
55.05514	22.9
57.03154	2.0
57.03440	41.0
57.07063	2.5
64.03321	1.1
65.03944	2.8
67.05508	69.8
69.03419	3.2
69.07066	22.3
69.83536	3.3
69.83941	3.4
71.01347	4.0
71.04994	7.8
79.05495	63.7
81.03428	9.3
81.07062	36.9
83.04984	21.6
83.08620	7.0
85.06547	8.3
86.63527	1.1
90.34211	1.1
91.05486	39.0
93.07046	78.0
95.04971	9.2
95.08614	13.2
97.06533	18.8
97.10168	11.1
98.98473	21.7
99.04520	1.6
99.08080	3.1
100.11284	2.6
103.05466	1.9
105.04500	1.8
105.07038	10.4
107.04971	9.8
107.08601	46.9
109.06478	2.0
109.10162	9.5
111.04457	1.3
111.08071	3.6
113.04410	1.1
115.05454	4.3
117.07011	7.9
118.20448	1.2
119.04940	5.5
119.08591	12.0
121.06481	3.2
121.10155	11.8
123.08064	1.9
125.09657	2.6
128.06236	2.6
131.04895	3.6
133.06523	2.5
133.10127	4.4
135.08104	1.6
135.11694	74.0
137.05969	3.8
137.09625	3.6
141.06969	3.1
143.08528	3.6
145.10129	17.3
147.11662	1.7
152.06212	7.7
153.06938	2.3
153.12741	2.4
154.07784	1.4
155.08548	1.5
156.09241	1.9
157.06447	2.8
157.10136	3.2
159.08009	1.2
159.11708	1.6
163.11212	11.6
165.07005	7.8
166.07799	3.0
167.08600	8.5
168.05605	1.5
169.06519	8.8
169.10132	2.3
171.04370	9.7
171.08006	2.2
171.11749	2.3
177.07013	3.9
178.07793	3.8
179.08600	2.6
180.05676	9.7
181.06429	6.3
181.10141	2.5
181.12254	11.7
182.07285	2.9
183.08102	1.4
183.11967	1.3
184.05270	3.1
185.09581	1.3
191.08511	2.3
192.05740	2.3
194.07338	4.0
195.04469	3.1
195.08052	27.1
196.08850	7.0
197.05948	17.7
197.09583	3.5
197.13287	1.7
199.07494	2.8
208.05219	4.8
209.05937	3.6
209.09599	5.2
209.13232	1.5
210.06795	2.4
211.07501	2.6
212.04710	23.4
212.08270	11.3
213.09073	2.1
213.16656	1.5
222.06793	3.5
223.04045	1.8
223.07536	41.7
224.08313	8.9
225.05428	4.2
225.09052	3.0
227.07077	28.3
227.10582	22.1
237.09128	4.7
240.07779	27.5
241.07939	1.5
255.06537	23.2
255.10173	100.0
255.15720	38.6
255.21033	6.0
256.06970	1.5
256.10477	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01868	4.9
55.05512	20.5
57.03441	34.1
57.07080	6.0
59.04993	1.3
65.03928	1.9
67.05506	49.6
67.82265	0.9
69.03430	3.0
69.07069	18.9
69.97333	4.3
70.06593	1.0
71.01353	3.3
71.04984	4.3
79.05494	49.4
81.03411	8.2
81.06590	1.8
81.07056	27.6
83.04983	15.8
83.08610	4.9
85.06555	3.8
87.27930	1.0
91.05485	25.2
93.07047	59.7
95.04978	5.6
95.08617	10.3
97.06539	14.6
97.10178	10.1
98.98468	23.9
99.08094	2.5
100.98950	1.0
105.04502	1.5
105.07032	6.2
105.33715	0.8
107.04959	3.5
107.08603	33.7
109.06567	0.9
109.10149	8.9
111.08093	4.5
114.92160	0.9
115.92220	0.9
117.07033	7.3
119.08556	7.5
121.06513	1.6
121.10142	8.6
125.09658	2.6
128.06218	1.7
129.06972	2.4
130.07784	1.7
131.04948	1.3
131.08618	1.2
133.06464	1.2
133.10110	3.7
135.08031	2.3
135.11691	53.8
137.09653	3.2
137.23872	0.9
139.07559	2.5
141.06989	1.8
142.07741	1.0
143.08562	4.2
145.10109	11.5
147.11685	1.0
149.13264	2.5
152.06223	2.7
153.07039	2.6
153.12738	1.5
154.07622	1.1
155.08560	2.0
157.06516	2.8
157.10167	1.7
159.11644	1.4
163.11198	7.9
165.07042	5.4
166.07753	3.0
167.08545	6.3
167.14250	2.0
168.05728	1.5
169.06487	4.0
169.10150	2.2
171.04420	8.3
171.08046	2.6
171.11716	2.5
173.13409	1.0
177.07022	2.4
178.07765	2.3
179.08551	6.7
180.05757	1.5
181.06516	7.0
181.10143	1.5
181.12225	10.1
182.07254	6.0
183.08023	1.5
184.05205	1.7
184.08801	2.8
185.06018	1.8
185.13403	1.4
194.07274	2.7
195.08061	16.1
195.13797	12.0
196.08833	6.0
197.05997	9.7
197.09650	6.8
197.13206	1.2
198.06470	1.1
199.07547	2.7
199.11172	2.1
199.14856	2.5
207.07962	2.1
208.08904	1.0
209.05963	2.8
209.09669	4.2
210.06606	2.0
211.07555	4.3
212.04716	24.8
212.08272	18.5
213.09109	1.5
223.03963	2.1
223.07532	8.5
224.08327	3.7
225.05518	2.7
225.09137	4.5
227.07037	23.8
227.10532	7.3
237.05438	1.5
237.09177	2.3
239.07129	1.5
240.04242	2.0
240.07803	16.5
255.06554	22.9
255.10188	100.0
255.15717	30.4
255.21124	3.6
256.07193	1.6
256.10565	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32878	1.5
53.03937	2.7
55.01861	6.0
55.05276	2.1
55.05517	30.9
56.91491	1.5
57.03441	50.8
57.07076	3.0
58.96501	1.6
65.03926	4.5
67.05509	70.1
69.03411	3.4
69.07075	23.8
69.66675	9.0
71.01345	6.0
71.05002	9.5
77.03940	2.1
79.05499	66.6
81.03427	8.6
81.07065	41.9
83.04991	17.3
83.08624	7.7
85.06528	7.0
91.05490	34.2
93.07050	75.6
95.04947	6.9
95.08607	13.1
97.06530	21.4
97.10175	20.1
98.20783	3.3
98.98475	21.0
99.08059	2.3
105.04498	2.3
105.07045	11.7
107.04978	7.8
107.08602	51.9
109.06488	2.8
109.10171	11.6
111.08081	3.9
113.89009	1.5
115.04006	1.5
115.05453	2.3
117.07055	10.7
119.04879	2.1
119.08584	12.1
121.06483	4.2
121.10145	13.4
123.11722	2.2
125.09648	3.9
128.06201	2.5
129.07028	3.3
131.04872	4.9
131.08536	2.4
133.06526	2.9
133.10124	8.5
135.08052	2.7
135.11699	100.0
137.05966	3.0
137.09628	4.0
141.06932	2.5
143.08554	2.9
145.10120	17.3
145.36890	1.7
147.11612	1.8
152.06204	2.8
153.06967	3.3
153.12715	4.2
155.08446	2.7
157.06447	3.1
157.10149	3.9
159.08090	1.8
159.11681	3.7
161.05960	2.6
163.11176	13.9
165.06999	4.4
167.08577	5.6
169.06470	2.8
169.10141	4.2
171.04425	17.2
171.08055	2.2
171.11684	2.3
173.13252	1.4
173.87764	1.5
178.07771	4.4
179.08603	8.8
180.05766	1.8
181.06470	6.1
181.10089	1.6
181.10692	2.4
181.12222	21.3
182.07324	3.9
183.07988	1.9
184.05193	4.8
184.08812	1.7
185.06029	2.0
194.07115	2.5
195.08034	11.2
196.08818	3.1
197.05905	5.4
197.09668	9.3
199.07520	3.8
207.08000	3.9
209.06030	2.8
209.09715	3.8
209.13333	2.1
210.06718	1.8
212.04697	54.0
212.08324	5.0
213.05142	2.1
213.16338	2.6
223.07541	10.3
224.08157	2.2
225.09085	3.4
227.07037	71.3
227.10562	2.8
228.07426	1.6
237.05504	1.7
237.12729	2.1
240.07690	9.5
255.06519	54.7
255.10187	65.1
255.15753	35.3
255.21176	5.8
256.06879	2.7
256.10294	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62853	0.5
53.03928	1.9
55.01855	2.3
55.05513	10.9
57.03441	20.3
57.07060	1.8
62.38344	0.7
65.03924	0.8
67.05510	34.1
69.06735	0.8
69.07073	9.3
70.12585	1.1
70.12978	1.5
71.01370	3.5
71.05003	3.8
75.04499	0.7
79.05498	29.9
79.78372	0.7
81.03410	2.8
81.07057	16.1
83.04990	8.2
83.08621	3.1
85.06533	2.2
91.05486	12.2
93.07050	34.3
95.04987	3.0
95.08607	5.7
97.06544	9.1
97.10168	8.7
98.98467	4.4
105.07037	3.2
107.04947	1.9
107.08605	21.6
109.10169	3.2
111.08052	1.7
115.05434	1.1
117.07048	3.2
119.08610	3.3
121.10149	5.2
125.09628	1.2
128.10660	0.7
128.91275	0.6
130.07779	0.8
131.04901	0.7
132.04440	0.7
133.10123	2.6
135.08075	0.8
135.11702	42.4
141.06972	1.6
145.10143	7.9
152.06160	3.5
153.06987	2.0
153.12709	1.5
156.05641	0.7
157.06462	0.7
157.65501	0.6
163.11198	6.5
165.07024	4.8
166.07806	1.3
167.08546	4.2
168.05748	0.8
169.06474	5.3
171.04497	1.1
171.11679	0.8
174.05487	1.9
177.05542	0.8
177.06952	3.6
180.05682	2.2
181.06459	8.3
181.12256	6.8
182.07292	1.0
183.08072	1.3
184.05226	0.8
184.08801	1.0
185.13182	0.7
186.09152	0.8
193.06482	0.7
194.07350	1.2
195.08044	13.9
196.08818	4.7
197.06004	16.8
197.09587	0.9
199.07498	0.8
205.06525	1.1
208.05206	2.5
209.06006	7.9
209.09688	0.9
210.06798	1.6
210.09013	0.6
211.07587	1.6
212.04626	1.9
212.06712	1.4
212.08566	6.5
213.05507	0.7
213.08994	2.0
220.07452	0.7
223.07553	3.0
224.08331	26.8
225.05475	10.6
225.09007	2.5
227.06982	2.8
227.10684	10.6
228.10196	2.1
238.08536	1.2
240.07823	34.0
241.30382	0.6
255.06120	2.6
255.06816	2.9
255.10175	100.0
255.15810	17.3
256.09979	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	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29702	0.4
55.01876	3.0
57.03439	5.6
59.04997	0.9
61.02920	1.5
69.03435	2.9
69.92094	1.7
71.01352	1.2
73.02925	3.2
78.03443	0.8
80.05015	1.9
81.05341	0.7
83.06085	0.5
85.02918	4.0
87.04478	0.8
88.75995	0.4
89.12585	0.4
96.04508	0.7
97.02878	1.9
106.02911	0.7
107.03239	0.5
110.07186	0.5
111.35635	0.4
113.02726	0.5
115.03943	2.3
123.04659	0.5
123.05560	10.0
124.03961	100.0
124.05878	10.1
125.04323	0.9
126.32769	0.4
133.04985	4.3
143.01839	0.4
155.08183	1.1
162.83589	0.4
163.41496	0.4
176.59015	0.4
256.13065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01865	0.3
55.05528	0.3
56.41852	0.3
56.96566	14.1
57.03426	1.1
58.14150	0.3
61.02927	1.7
69.03424	1.4
70.06595	2.2
70.98119	1.0
71.47366	0.4
71.95264	3.8
72.08144	1.4
73.02911	1.5
78.98346	0.3
81.03429	0.6
84.04474	0.7
84.08130	2.2
84.96012	0.5
85.02921	2.6
86.09701	2.1
97.02893	2.6
98.06001	0.4
98.97585	100.0
99.04427	0.5
101.00903	2.3
101.02420	0.4
103.00658	0.4
107.04931	0.6
109.00465	0.5
109.02871	0.5
110.07170	1.2
110.97576	1.1
112.92276	0.5
112.99109	0.5
113.00868	0.9
115.00696	0.3
115.02423	0.7
116.98623	34.8
118.01065	0.5
119.01920	1.6
120.01983	0.5
121.01641	0.4
123.05586	0.5
125.03567	0.4
127.03919	0.9
128.98616	1.3
129.10219	0.4
130.93315	1.5
131.01906	1.0
131.03571	0.3
132.10223	0.5
132.53513	0.4
133.01604	0.4
133.03432	0.5
134.05969	0.4
134.99672	5.4
136.06163	0.8
140.00186	0.5
143.00159	0.5
143.01950	0.8
145.01723	0.4
145.03383	0.3
145.05069	0.4
146.99628	0.4
148.03795	0.8
149.02692	0.3
153.14713	0.3
153.55811	0.6
154.03819	0.4
155.01929	0.7
157.02591	0.4
159.03354	0.4
161.02914	1.0
161.04584	0.8
161.06607	1.0
162.06700	0.8
162.56386	0.5
163.06316	1.0
167.04597	0.7
170.05185	1.9
172.94366	5.4
172.97514	0.6
173.02899	0.7
177.04269	0.7
185.02988	0.5
188.05984	0.4
190.95465	2.6
197.02029	1.9
197.95250	0.4
198.05721	0.3
206.02562	0.4
214.95393	3.3
214.98602	0.5
216.09023	0.5
221.04977	0.4
225.09230	0.4
228.18106	0.4
232.96443	5.4
232.98824	0.5
233.01480	1.7
234.01477	0.5
234.10188	0.9
248.07835	0.4
250.97517	1.5
251.02579	1.7
256.96442	11.4
257.03064	0.7
257.11673	1.2
274.97513	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
54.38783	0.4
55.01884	1.6
56.10400	0.3
61.57311	0.3
67.05505	0.8
69.07058	0.6
69.47131	0.6
69.47534	1.9
79.05470	0.4
81.07052	0.8
85.02891	0.7
85.06526	0.5
91.05470	0.8
93.07038	0.7
95.08587	1.1
98.20771	0.6
105.07040	0.8
107.04937	1.0
107.08590	0.5
115.05455	1.4
117.07024	0.4
119.08576	0.9
128.06210	1.1
129.06969	1.1
131.04884	0.4
131.08598	0.4
133.10103	0.6
135.11681	0.4
140.06296	0.4
141.06999	6.9
144.05652	0.7
145.06441	1.0
145.10086	0.6
147.11649	0.5
152.06232	1.4
153.06999	6.7
154.07762	0.5
155.08545	3.5
157.06487	0.8
158.07288	0.5
159.11690	0.6
165.07021	10.0
168.05743	2.8
169.06476	6.3
170.07277	1.6
171.04427	0.5
171.08098	0.8
173.05885	0.4
173.09639	0.5
173.13234	0.8
178.07730	0.4
181.06465	3.2
182.07330	0.7
183.08061	4.6
184.05139	0.4
185.05940	2.0
186.06758	3.8
187.07498	0.8
193.06511	2.7
194.07339	0.4
195.04308	0.4
196.05235	4.4
197.05984	7.7
197.09691	0.5
198.06755	4.1
199.07465	0.7
199.14821	0.5
200.08290	0.5
201.09082	3.1
210.06734	0.9
211.07539	16.8
212.08339	0.5
213.05554	1.0
214.06284	5.4
215.06940	0.8
224.04724	0.8
225.05443	0.8
225.09137	0.6
226.06030	0.5
229.06354	0.4
229.08551	4.7
239.04552	0.7
239.07034	13.9
240.07642	0.5
241.08536	0.5
242.05815	0.8
242.09383	0.5
243.06412	0.6
257.08099	100.0
257.22711	2.0
257.25339	0.5
258.08768	6.0
278.98856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
55.01858	1.5
55.05500	1.1
57.03426	1.0
60.06601	0.5
63.19904	0.5
67.05483	2.4
67.27402	0.5
68.99798	3.5
69.07062	1.4
71.00404	1.4
79.05498	2.0
81.07037	2.2
83.08591	0.6
85.02890	1.9
85.06538	1.0
86.20724	0.6
88.65669	0.6
91.05496	3.6
93.07042	2.2
95.08598	2.1
95.32817	0.5
103.05453	2.1
105.06998	2.4
107.04951	1.5
107.08605	1.1
109.06518	1.1
109.10165	0.7
113.02357	1.7
115.05456	4.4
116.06332	0.6
117.07038	3.0
119.08559	2.1
121.02827	0.7
121.10111	0.7
123.04404	0.7
128.06221	1.3
129.06969	4.6
131.04893	2.4
131.08578	4.2
133.06451	0.8
133.10106	1.1
135.11641	0.9
141.06999	17.8
143.08542	2.8
144.05714	0.9
145.06503	3.0
145.10132	6.0
147.08055	1.0
147.11723	0.8
151.05417	0.7
152.06204	2.5
153.01746	0.7
153.07025	4.4
154.07761	1.3
155.04936	13.3
155.06067	1.6
155.08511	4.1
157.06570	1.1
157.10089	2.9
158.07216	0.9
159.08052	1.5
159.11697	2.5
161.06020	0.9
161.09621	1.9
165.07013	10.8
167.08577	1.3
168.05707	8.2
169.06491	25.8
169.10080	0.9
171.04385	3.7
171.08020	1.0
171.11688	2.2
173.05968	0.8
173.13280	2.0
179.04874	9.4
181.06511	3.7
182.07292	0.9
183.04459	3.8
183.08055	17.0
183.09729	1.1
183.11508	1.1
185.06009	1.6
185.13248	1.3
186.06769	2.6
187.07550	1.7
187.11221	1.2
193.06516	2.3
195.04370	1.1
196.05251	5.0
197.05989	37.9
197.09709	2.0
197.13263	1.8
198.06752	3.1
199.03917	0.9
199.07495	1.0
199.14880	0.8
201.09067	2.8
207.04422	30.7
208.04892	0.7
210.06758	0.6
211.07549	23.7
211.10982	0.9
213.05464	0.9
213.16470	0.6
214.06241	4.6
215.06946	1.2
224.04776	1.0
225.05472	38.4
225.09108	2.2
226.06261	1.2
226.09845	2.0
227.03323	1.3
227.07092	1.5
229.05099	0.9
229.08601	22.5
239.07028	6.3
239.17950	2.3
242.05736	4.6
257.04660	4.2
257.08090	100.0
257.11584	5.8
257.19046	12.0
257.21817	0.7
258.08493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
50.16169	0.5
51.02385	0.5
55.01863	1.6
62.15918	0.6
68.99809	0.6
70.13836	1.6
70.14231	0.8
85.02885	2.3
91.05448	0.6
98.21558	0.6
108.75176	0.5
121.21551	0.6
128.06216	0.7
128.68254	0.6
129.06995	0.6
131.08572	0.6
141.06982	6.0
144.05695	0.8
145.06487	3.3
147.04407	3.5
153.06972	1.2
155.08554	1.4
158.07291	1.3
159.08099	1.1
165.07013	2.3
168.05692	4.3
169.06480	10.2
170.07219	1.1
171.04445	1.3
173.05986	0.9
173.09621	1.2
181.06505	1.5
181.23808	0.6
183.08075	5.2
183.11681	0.6
185.05989	1.7
186.06781	4.8
187.07564	2.4
196.05220	11.2
197.05997	19.4
198.06769	18.0
199.07495	1.5
201.09126	5.0
201.25452	0.5
207.04497	0.5
211.07561	12.9
213.05426	2.8
214.06268	28.4
215.06656	0.6
224.04697	1.4
225.05556	4.2
226.06223	3.5
229.08614	35.7
239.07111	5.2
242.05830	4.9
257.08102	100.0
258.08392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03936	0.4
55.05518	0.6
55.36248	0.4
67.01863	2.9
67.05510	1.4
68.99794	1.7
69.03415	1.5
70.06585	1.0
70.34955	1.0
71.05032	0.5
77.03928	0.5
79.05492	3.3
79.61009	0.4
88.07612	0.8
91.05475	3.2
95.04976	0.7
95.08605	0.7
97.02888	0.7
102.09145	0.4
103.05470	25.5
105.03391	0.8
105.07009	1.2
107.04949	3.2
108.88512	0.4
111.00818	1.0
115.05447	0.6
117.07003	1.2
119.08575	0.6
123.04432	1.2
124.86775	0.4
125.02424	0.4
129.06923	0.5
131.04927	48.1
131.08574	1.2
132.05238	0.8
133.10133	0.4
141.06981	1.3
143.08528	1.0
145.06496	0.7
145.10124	1.7
151.03864	2.2
153.01828	94.7
157.10175	0.7
159.11649	0.7
165.07036	0.5
169.06430	1.0
169.10080	0.9
171.02925	1.2
173.06009	3.4
177.04501	0.6
179.03404	1.5
183.11633	0.4
185.13278	1.6
191.07066	0.7
197.05946	1.3
197.13301	0.6
199.14781	0.4
200.08401	0.4
211.07559	0.8
214.06169	0.5
215.07042	1.6
215.10510	0.5
225.05669	0.5
225.09077	1.4
229.08539	1.7
239.07043	1.1
239.17969	0.8
256.26346	1.5
257.08087	100.0
257.18954	2.8
257.26614	4.5
258.08447	1.5
275.87051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
52.41302	0.5
55.01879	2.5
55.04213	0.5
69.40765	3.9
75.19536	0.4
79.63654	0.5
85.02867	0.8
89.13609	0.5
91.05463	1.4
102.63951	0.5
105.06996	0.6
107.04959	0.7
115.05446	1.2
118.96217	0.6
121.06551	2.6
133.06522	0.5
137.05962	0.5
141.07013	5.0
144.05682	0.6
145.06505	1.4
145.10153	0.7
147.04395	5.7
147.08061	1.5
149.06003	0.8
152.06248	0.7
153.06949	1.4
155.08572	1.5
157.06459	0.7
158.07265	2.5
159.08078	1.5
161.05943	0.6
165.06979	2.5
168.05717	3.2
169.06500	8.9
170.07289	2.6
171.04417	1.8
171.08055	1.7
173.05971	1.3
173.09630	1.4
181.06485	1.9
183.08052	4.0
185.06003	1.8
186.06755	6.5
187.07539	3.3
189.05515	0.7
196.05191	4.1
197.04172	0.7
197.05992	14.2
198.06761	22.0
199.03812	0.8
199.07323	0.8
201.09102	8.8
211.07539	6.3
212.08292	1.2
213.05453	3.2
214.06247	34.5
215.03465	0.6
215.06792	0.9
221.05971	0.8
225.05487	1.1
225.09225	0.7
226.06395	0.6
226.09865	0.5
227.06979	0.6
228.07780	0.6
229.08604	51.0
230.08951	1.1
239.07047	2.8
257.08099	100.0
258.08630	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	257.0809
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
54.84161	0.5
55.01863	1.8
55.05503	0.7
56.53602	0.4
56.58163	0.6
57.07076	1.2
67.05492	0.7
68.99792	1.1
69.07044	0.5
69.55045	2.8
79.05466	0.5
81.07018	0.9
85.02907	1.5
85.06526	2.5
89.19051	0.5
91.05475	1.3
93.07086	0.6
103.05479	3.5
105.07022	0.6
115.05459	1.3
128.06192	0.7
131.04921	5.8
139.07539	0.8
141.06999	7.3
144.05721	1.1
145.06508	2.6
145.08511	0.6
147.04442	3.2
153.01837	14.9
153.06993	2.0
155.08549	2.3
157.06454	1.0
158.07309	1.6
159.08005	0.7
165.07010	2.7
168.05728	3.3
169.06523	11.0
170.07230	1.7
171.02962	0.9
171.04388	1.9
171.08020	0.9
173.06038	1.2
173.09625	0.6
181.06447	1.4
183.08072	4.9
185.05951	1.5
186.06749	6.1
187.07568	2.4
189.05484	0.8
196.05238	7.1
197.05994	15.4
198.06779	20.3
198.36148	0.5
199.03906	0.6
199.07457	1.2
201.09108	6.1
211.07565	8.9
212.08304	0.9
212.28792	0.6
213.05519	2.7
214.06267	27.4
215.06876	0.9
215.10692	0.9
224.04660	1.5
225.05615	1.2
228.04259	0.5
229.08617	43.2
239.07065	4.0
242.05760	2.2
256.07321	0.7
257.08105	100.0
258.08557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
55.01857	2.2
59.70088	0.5
64.11871	0.6
69.94703	0.5
70.86711	1.3
91.31465	0.5
104.95458	0.5
128.06235	0.8
129.07068	0.7
131.04906	0.7
139.39029	0.5
141.06992	5.0
144.05713	1.4
145.06421	0.6
152.06189	1.2
153.01845	1.3
153.06992	2.1
155.08575	1.3
158.06117	0.6
158.07254	3.3
159.07990	0.9
161.05923	0.6
165.06969	3.2
168.05714	5.8
169.06491	12.7
170.07277	2.8
171.04327	1.3
171.08049	1.3
172.05238	0.9
173.09599	2.1
180.05724	0.8
181.06450	1.8
183.08054	6.5
185.05962	1.5
186.06770	8.5
187.07552	9.1
189.05469	1.6
196.05214	6.1
197.05984	12.0
198.06763	14.0
199.07437	1.2
201.09108	16.0
211.07570	10.1
212.08397	1.8
213.05475	1.1
214.06247	16.8
215.06979	1.3
224.04767	0.6
225.05449	1.2
228.07736	1.1
229.08600	65.3
230.08800	1.2
239.07025	1.6
257.08090	100.0
258.08466	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
53.42044	0.5
55.01863	1.7
56.80214	0.6
67.05513	0.7
69.84342	3.0
98.21630	0.5
99.75779	0.6
115.05449	0.9
121.96675	0.6
128.06270	1.1
129.07018	0.8
131.04974	0.8
134.70966	0.6
141.06996	6.0
144.05714	0.9
145.06461	1.0
146.12303	0.6
152.06241	1.3
153.06992	2.0
155.08562	0.8
157.06500	0.6
158.07301	3.8
159.07985	0.9
161.05937	1.1
165.07022	3.2
168.05693	6.3
169.06496	11.5
170.07274	2.2
171.04428	0.8
171.08086	2.1
173.05986	0.7
173.09666	1.4
180.05617	0.6
181.06454	2.1
182.07210	0.8
183.08072	5.7
185.06012	1.7
186.06755	8.3
187.07561	9.1
189.05472	1.9
196.05191	6.2
197.06001	10.7
197.09547	0.6
198.06757	13.2
199.07515	1.0
201.09103	13.8
211.07567	11.2
212.08400	1.0
213.05475	0.8
214.06262	14.2
214.09555	0.8
215.06979	2.3
220.72868	0.6
225.09183	0.8
226.06313	1.1
228.07860	1.2
229.08611	63.8
230.08978	0.8
239.07034	1.7
242.05818	1.1
243.06467	0.8
257.08102	100.0
258.08374	1.3
268.49139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
53.00309	0.9
55.01873	4.0
55.05526	1.0
57.07078	1.7
60.08169	0.7
62.49255	0.6
67.05509	1.4
68.99796	3.0
69.07062	0.8
69.31757	3.3
69.32179	2.0
69.68658	0.6
75.55461	0.6
81.07056	1.6
83.08606	0.7
85.02911	7.5
91.05488	2.0
95.04949	0.8
95.08585	1.0
103.68578	0.7
105.07050	1.1
107.04963	2.8
107.08630	0.9
113.02419	0.9
115.05439	4.9
117.07038	2.0
128.06245	1.2
129.07022	2.4
131.04944	1.4
131.08560	1.9
133.03484	0.8
133.06490	1.4
140.06194	0.7
141.06998	40.7
142.07367	0.7
143.08597	0.9
144.05722	2.0
145.06485	8.4
145.10170	1.9
148.04720	0.7
151.05495	0.8
152.06221	2.6
153.06995	10.6
154.07770	3.3
155.04929	1.3
155.06052	0.8
155.08569	7.8
157.06511	4.3
157.10106	1.4
158.07277	1.4
159.08099	1.9
159.11839	0.9
161.06042	0.9
161.09679	2.1
165.07013	34.8
166.07791	1.5
167.08574	5.3
168.05693	10.1
169.06494	54.5
170.07059	1.9
171.04375	6.3
171.05566	1.2
171.08080	1.4
172.05089	0.7
173.06017	4.8
177.07066	0.9
179.06047	1.6
181.06485	7.8
182.07268	6.6
183.04497	1.4
183.08061	31.0
184.08673	0.8
185.05920	1.1
185.09528	1.0
186.06773	2.6
187.07555	2.8
193.06340	3.2
194.07259	2.3
195.08029	3.6
196.05228	5.4
197.05991	79.4
197.09631	14.6
198.06761	7.1
199.07526	2.2
201.09113	8.5
207.04443	0.9
208.23393	0.9
209.06050	1.5
210.06796	4.3
211.07553	50.3
212.08223	2.2
213.05533	2.8
213.09009	1.4
214.06297	4.7
214.09738	0.7
215.07080	3.3
224.04749	0.7
224.08380	1.0
225.05498	33.9
225.09042	19.1
226.06148	1.2
226.09853	16.2
227.07068	6.1
228.07790	1.2
229.08603	56.1
230.08931	1.0
239.07071	5.2
239.18153	0.8
241.08543	1.1
242.05717	2.7
242.09378	9.1
256.30014	2.7
257.08112	100.0
257.11743	41.7
257.18970	3.5
257.21249	0.9
257.26483	0.9
257.30338	2.3
258.08563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	Loroglossol
Peak:m/z	Relative Intensity
50.03093	0.7
63.17661	0.6
65.62996	0.7
68.03136	0.7
70.61882	1.1
76.72960	0.8
99.32582	0.7
121.96480	0.7
123.46390	0.7
141.06940	0.9
152.06248	1.6
153.07008	2.2
154.07800	5.7
165.07004	18.5
166.07826	4.2
167.08582	15.7
168.05779	0.7
169.10179	2.4
171.08073	0.8
177.07060	0.9
178.07823	1.3
179.08591	2.7
181.06508	6.9
182.07292	14.0
183.08025	1.8
193.06494	2.0
194.07301	4.3
194.15129	0.7
195.08104	3.9
196.08794	1.3
197.09631	40.2
199.07497	4.3
209.05980	3.0
209.09616	1.3
210.06750	10.8
211.07549	14.6
214.09799	1.1
224.08389	4.0
225.09117	64.1
226.09883	36.3
227.07057	8.4
227.10440	1.4
239.10780	0.9
241.08612	3.4
242.09386	20.2
255.10124	1.0
257.11734	100.0
258.12018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49245	0.5
55.05507	0.7
57.07077	40.5
65.03928	0.8
67.05504	4.3
70.65624	0.4
71.01350	0.5
71.09453	0.7
71.09806	0.7
79.05495	0.6
81.07069	2.7
81.48116	0.4
83.04980	2.2
85.02902	1.0
85.06545	100.0
93.07065	0.5
109.06521	4.1
111.04458	1.7
113.02383	0.7
127.07556	5.6
137.05965	0.5
145.08600	21.0
153.01826	0.7
155.07071	0.7
165.06973	0.6
169.06499	0.6
193.12292	2.5
211.07571	1.8
211.13364	1.6
221.11690	1.2
225.09180	0.6
229.08556	0.7
233.76410	0.4
239.07129	1.7
239.12859	0.9
242.05788	0.5
252.07637	0.5
257.08044	3.6
257.11783	1.4
257.19055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.07079	42.8
65.03947	0.7
67.05513	3.9
67.94186	0.4
69.07063	0.8
69.30283	3.6
71.01338	0.9
78.70300	0.4
79.05523	1.1
81.07059	2.7
83.04974	1.6
85.02911	1.2
85.06548	100.0
86.06862	0.4
88.17912	0.4
91.05479	0.7
93.07067	0.8
95.08615	0.6
95.55763	0.5
105.07059	1.0
107.04971	1.2
107.08620	0.7
109.06531	4.7
111.04476	1.8
111.08158	0.4
115.05429	0.7
119.08582	1.0
121.10194	0.6
125.72262	0.4
127.07557	6.2
134.10713	0.4
137.05991	0.6
141.07001	2.6
143.08580	0.5
145.08604	17.8
147.08034	0.7
151.07591	1.4
155.07094	0.9
155.08542	0.7
159.08138	0.6
159.11772	0.5
163.75932	0.5
165.07018	0.8
169.06497	2.5
169.10181	0.7
174.55130	0.5
175.07671	0.6
183.08069	0.7
186.06799	0.7
187.07538	0.5
189.09143	0.6
193.12206	2.1
196.05244	0.4
197.05968	5.4
197.07481	0.5
197.09668	0.6
197.12875	0.5
199.04036	0.6
199.14835	0.5
201.09109	8.5
202.09882	0.7
211.07567	1.8
211.13322	1.9
214.06268	0.9
215.10780	0.9
221.11790	0.9
225.05457	3.7
227.03305	0.4
227.10736	0.9
229.08487	4.2
239.07079	1.2
239.12813	0.7
242.05782	1.9
242.13087	1.8
251.44193	0.5
254.54491	0.5
257.05621	0.5
257.08090	9.4
257.12628	0.9
257.15475	5.1
257.19135	1.1
257.22736	1.0
258.11288	0.7
264.23370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03927	1.7
55.01873	2.0
55.05511	10.1
57.03428	2.0
57.07067	2.2
57.71132	0.8
65.03939	1.0
67.05509	15.6
69.07069	5.4
69.35126	7.8
71.04997	1.4
79.05501	8.9
81.07059	16.7
83.04971	1.5
83.08619	2.9
85.06550	1.1
89.16744	0.9
91.05486	18.3
93.07056	10.5
95.04988	1.7
95.08604	11.1
97.06535	2.2
98.20811	1.9
99.08105	1.0
103.05457	1.3
105.07040	18.8
107.04959	2.8
107.08599	7.7
109.06509	2.8
109.10162	4.3
114.78728	0.9
115.05463	2.1
116.06243	2.1
117.07025	22.0
119.04984	1.0
119.08600	9.9
121.06509	3.0
121.10156	5.2
123.08088	2.2
128.06224	3.4
129.07027	12.1
130.07797	3.2
131.04933	2.0
131.08571	38.5
133.06456	5.7
133.10141	10.0
135.08049	3.4
135.11725	2.8
137.05965	1.4
141.07001	7.3
142.07797	3.5
143.08578	13.5
145.06470	7.1
145.10132	40.4
146.83278	0.9
147.08069	5.3
147.11719	7.6
149.09628	2.6
153.07025	1.4
154.07782	2.1
155.08553	10.0
155.11755	0.9
156.09358	1.2
157.06459	1.4
157.10136	19.4
158.07286	1.6
159.08157	4.2
159.11694	19.4
159.12897	1.7
161.09628	8.0
161.13260	1.6
163.11212	2.2
165.07007	8.1
166.07788	1.3
167.08607	5.2
168.05707	1.6
168.09360	1.2
169.06470	2.9
169.10132	10.8
171.08044	1.4
171.11694	12.1
173.09663	5.4
173.13268	9.3
175.11221	7.5
175.14822	1.5
178.07733	1.3
179.08534	1.1
181.06506	4.7
182.07341	4.3
183.08043	4.0
183.11728	7.8
185.06107	1.3
185.13264	3.6
186.06743	2.7
187.07625	1.3
187.11212	7.1
187.14851	2.1
189.12758	1.4
193.06474	1.2
194.07376	2.0
195.08026	4.0
196.05251	1.3
196.08821	1.5
197.06004	6.1
197.09647	13.2
197.13300	8.1
198.06747	2.8
199.07605	4.8
199.14809	2.8
201.09125	2.9
201.12691	4.3
202.33086	0.9
209.05757	0.9
210.06853	6.6
211.07559	18.7
211.14845	3.0
213.16342	2.8
214.06250	2.6
214.09851	1.2
215.14320	3.1
215.18024	2.4
224.08293	2.5
225.05470	3.2
225.09117	22.9
226.09889	50.5
227.07037	11.2
227.10416	1.4
229.08571	7.4
229.19534	3.8
239.07085	2.0
239.17958	20.4
239.20192	1.8
241.08617	4.6
242.05756	2.1
242.06796	1.3
242.09386	20.3
257.08121	16.3
257.11734	100.0
257.19022	88.3
257.26721	2.6
258.12128	3.3
258.19446	1.5
258.27939	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01851	3.1
55.05513	10.8
57.03442	9.9
57.07055	2.4
59.05019	1.1
65.03960	1.5
67.05185	1.7
67.05508	25.2
68.99780	2.0
69.07066	8.5
70.06582	1.0
71.04987	3.4
71.48297	1.4
75.12996	1.0
75.43161	1.0
79.05092	1.0
79.05502	13.3
81.07058	19.3
83.08609	4.9
85.02915	2.2
85.06533	4.5
91.05483	24.6
93.07040	11.3
95.04978	1.7
95.08616	17.3
97.06502	2.4
99.08096	6.6
103.05487	6.2
105.06397	1.9
105.07037	21.6
107.04965	3.1
107.08588	6.9
109.02911	1.6
109.06500	2.7
109.10165	6.4
111.08066	2.7
115.05476	7.5
116.06248	2.9
117.07023	44.6
119.08583	14.4
121.02928	1.6
121.06529	1.9
121.10152	3.7
123.08051	1.3
128.06250	9.1
129.07013	29.3
130.07796	5.8
131.04959	10.7
131.08578	56.4
133.06487	3.4
133.10121	7.6
135.11691	2.2
137.05983	3.1
141.06999	23.0
142.07791	6.9
143.07523	2.1
143.08575	29.8
143.09700	1.4
144.05664	1.0
144.09314	3.4
144.98895	1.2
145.06473	7.2
145.10133	70.3
147.08075	5.3
147.11679	8.8
149.09604	1.9
153.06970	4.5
154.07843	1.9
155.06030	1.7
155.08559	15.6
156.09341	3.1
157.06548	1.6
157.10138	34.9
158.07159	1.2
159.08058	4.1
159.11703	85.8
160.12019	1.8
161.09596	5.4
161.13268	1.9
163.11224	1.8
165.07068	5.2
167.08589	4.1
168.05698	5.9
168.09326	2.8
169.06500	18.5
169.10135	18.6
170.10910	1.7
171.04399	2.0
171.11690	19.8
173.09659	3.2
173.13274	15.3
175.11174	4.1
177.12785	1.5
179.08562	1.4
181.06491	2.4
181.10117	1.3
182.07327	1.3
182.10974	2.0
183.08073	7.6
183.11685	19.3
185.06000	2.2
185.13272	53.5
186.06787	4.3
187.07585	1.7
187.11234	5.1
187.14763	1.7
195.07954	1.3
195.11644	1.6
196.05223	5.6
196.12364	1.1
197.05997	36.9
197.09677	5.5
197.13272	14.9
198.06810	7.2
199.07506	1.9
199.14850	4.1
201.09109	4.9
201.12788	3.3
201.16417	3.0
207.04416	3.7
210.06839	1.5
210.13931	1.5
211.07558	15.0
211.14899	6.5
213.05431	2.0
213.16457	3.2
214.06262	13.9
215.14380	2.7
215.17998	1.4
224.04732	3.0
225.05455	11.4
225.09084	4.1
226.06244	1.9
226.09840	6.9
227.07031	2.2
229.06355	1.2
229.08611	22.8
229.15910	1.6
229.19540	3.7
239.07021	4.6
239.10983	1.3
239.17970	36.0
242.05789	9.8
242.09419	3.4
257.04697	4.3
257.08099	79.1
257.11676	16.9
257.15738	3.1
257.19019	100.0
258.08417	3.6
258.19446	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.08459	1.0
50.87210	1.1
53.03936	1.8
55.01874	1.7
55.05515	10.3
56.08326	0.9
57.03439	12.7
57.07078	1.9
65.03922	1.6
67.05507	26.7
68.99782	2.2
69.07071	10.2
69.82781	2.7
69.83173	2.5
71.04970	1.6
79.05502	12.3
81.07063	17.6
83.04999	1.1
83.08604	3.9
85.06536	2.6
91.05475	25.0
93.07044	10.5
95.08604	18.5
97.06525	1.7
99.08103	8.3
103.05479	2.5
105.07034	23.7
107.04951	2.6
107.08573	5.3
109.06522	2.0
109.10133	5.4
111.08122	2.3
115.05467	6.7
116.06226	4.0
117.07019	53.3
119.08581	18.6
121.02864	1.8
121.06544	2.1
121.10148	4.3
123.08120	1.1
128.06227	8.5
129.06041	1.6
129.07010	32.2
130.07819	6.8
131.04947	1.8
131.08565	51.7
133.06480	1.1
133.10158	6.3
135.08014	1.5
135.11678	1.7
137.09662	1.4
141.06998	12.4
142.07788	6.8
143.08566	31.4
144.09328	3.6
145.06479	3.0
145.10121	92.4
147.08014	1.6
147.11699	6.4
149.09650	1.9
153.07030	2.8
154.07771	3.7
155.05969	1.3
155.08557	11.9
156.09319	2.2
157.10129	44.2
158.10884	1.3
159.08054	2.6
159.11694	88.9
161.09628	2.7
161.13268	1.8
163.11253	1.3
165.07013	4.0
167.08551	4.6
168.05768	2.0
168.09326	3.6
169.06499	4.6
169.10126	24.6
170.10861	2.0
171.08054	1.3
171.11673	19.6
173.05984	1.2
173.09685	1.3
173.13266	29.4
175.11241	3.9
181.06490	2.2
182.07236	1.6
182.10936	2.4
182.63351	1.3
183.04411	3.7
183.08098	2.8
183.11691	20.4
185.13261	68.5
186.06706	1.5
186.13487	1.4
187.11136	2.3
187.14801	1.9
189.12730	1.3
195.08089	2.1
196.05232	3.0
197.05984	13.0
197.09628	3.2
197.13248	18.2
198.06760	8.9
199.03807	1.7
199.07326	1.2
199.14828	4.0
201.05402	1.1
201.09030	2.0
201.12723	2.5
201.16344	3.1
210.13994	3.2
211.07529	6.8
211.11018	1.2
211.14842	7.5
213.16460	3.3
214.06255	4.7
215.14323	2.4
215.17902	1.4
216.42300	1.0
224.15343	1.3
225.05495	5.5
225.09093	4.5
226.09840	3.7
227.06992	2.1
229.08511	11.8
229.19498	5.2
239.06978	3.0
239.17958	37.2
242.05722	4.7
242.09351	2.8
257.04294	7.7
257.08093	38.7
257.11737	13.6
257.19016	100.0
258.08920	1.4
258.19415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49497	1.1
55.05512	7.2
57.07059	3.4
59.23616	1.2
59.58163	1.0
61.82108	1.1
67.05499	10.3
69.07078	7.6
70.98399	2.2
70.98740	1.1
78.53110	1.1
79.05490	6.3
81.07052	19.7
83.08623	3.1
85.06527	1.7
91.05482	7.2
93.07040	15.3
95.08066	1.8
95.08609	20.6
97.10148	2.6
103.05482	1.0
105.07024	17.8
107.08587	21.7
109.10154	15.2
117.06999	3.9
119.07824	1.4
119.08588	18.9
121.10131	12.8
123.11693	5.0
129.06992	2.5
131.08565	10.1
133.10126	13.3
135.11723	6.8
141.06979	2.5
143.08548	3.9
144.09253	1.2
145.10124	20.1
147.11671	10.9
149.13264	11.6
154.07730	2.0
157.10101	4.8
158.10857	2.7
159.11697	20.5
161.13248	9.4
163.14810	4.8
165.06970	8.1
166.07776	1.8
167.08560	8.0
168.05670	1.4
169.06464	3.4
169.10092	1.8
171.11633	1.5
173.13264	18.2
175.14745	6.8
177.06906	1.1
178.07635	1.7
181.06471	4.7
182.07312	6.5
183.07936	1.9
183.11676	1.4
185.13264	2.6
187.14793	14.3
189.16373	2.4
194.07253	2.1
195.08055	3.1
197.06032	5.4
197.09637	16.5
197.13208	1.4
198.06764	1.6
199.07539	4.6
199.14880	2.6
200.15680	1.3
201.16388	16.6
209.05940	1.4
210.06738	6.3
211.07509	15.3
213.09106	1.3
213.16362	1.4
213.81178	1.1
215.17914	4.6
224.08336	3.3
225.05643	1.6
225.09093	27.5
226.09868	37.6
227.06981	6.4
227.10339	2.3
228.36078	1.4
229.08652	5.4
229.19417	2.5
239.17967	1.8
241.08620	3.7
242.05725	1.6
242.09361	16.7
257.08099	7.3
257.11722	81.4
257.19077	8.6
257.22632	100.0
257.26788	4.5
258.12009	1.9
258.22885	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.3
56.96569	7.3
58.15841	0.1
70.66741	0.4
70.67073	0.2
70.95922	0.2
71.95269	2.1
73.39874	0.1
85.58403	0.1
91.51373	0.2
91.61131	0.2
98.97588	100.0
99.97903	0.3
100.97162	0.6
100.97956	0.3
101.00887	0.3
116.98624	36.0
117.99023	0.2
118.98240	0.2
118.99030	0.3
119.01904	0.5
134.99658	8.2
140.00218	0.6
145.01463	0.2
153.00761	0.3
154.47495	0.2
156.96643	0.2
158.01263	0.3
161.03017	0.2
174.97690	0.3
177.00859	0.2
181.97415	0.2
182.18567	0.2
192.98647	0.2
216.98685	0.5
219.02072	1.1
233.20557	0.2
234.95937	0.2
234.99760	0.4
235.30450	0.2
236.98625	0.4
240.98648	3.2
258.99765	42.3
259.99872	1.0
277.00806	36.3
278.00879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0603
Annotation	1,3-Dihydroxy-5-methoxy-xanthone
Peak:m/z	Relative Intensity
52.99237	0.3
55.01860	0.4
55.05504	0.5
67.05492	1.0
68.99793	3.0
69.07057	1.1
71.48689	0.5
79.05491	1.2
81.07047	1.8
83.04974	0.4
83.08630	0.4
83.92370	0.3
85.06522	0.5
86.09704	0.9
91.05486	1.8
93.07028	1.4
95.04972	0.5
95.08611	1.8
97.06506	1.0
103.05444	0.9
105.07016	1.4
107.04966	2.6
107.08612	0.8
109.02881	0.5
109.10136	1.1
115.05446	2.6
115.06138	0.5
117.07049	2.1
119.08575	1.3
121.06504	2.1
121.10146	0.9
123.04424	1.6
123.11716	0.3
125.06001	0.5
127.05387	0.3
129.07010	1.4
131.04921	0.9
131.08566	1.0
133.06508	0.6
133.10097	0.7
135.04376	2.5
135.11624	0.6
137.05963	0.5
139.05441	1.2
141.07001	3.4
142.07755	0.4
143.08508	0.6
144.05710	0.6
145.06494	5.9
145.10130	0.5
147.04373	0.5
147.08067	0.4
147.11685	0.7
149.05978	1.7
149.13306	0.5
150.06738	1.0
152.06230	0.6
153.06961	1.3
155.06021	1.4
156.08408	0.3
157.06522	2.2
157.10132	0.5
159.04430	0.4
159.08075	0.7
159.11719	0.8
161.06006	0.6
161.13245	0.8
163.03938	0.3
163.07542	0.8
163.14824	0.4
165.01839	0.6
165.06931	0.4
168.05698	1.1
169.06458	1.1
171.04370	3.9
171.05583	0.4
171.08130	0.5
171.11726	0.3
173.05983	0.4
173.13295	0.7
181.06448	1.3
182.07262	0.4
185.05981	5.2
185.13217	0.4
187.14746	0.5
189.09116	0.4
195.04436	2.6
195.07983	0.5
197.05997	4.3
198.06711	1.0
199.07535	1.4
201.16376	0.6
202.07779	0.9
203.08582	1.0
203.10504	0.4
209.06004	0.4
213.05429	1.5
213.09059	1.5
215.07001	1.4
217.08463	0.4
223.03944	2.6
226.06241	0.5
227.06999	1.7
231.06210	1.7
231.08397	0.5
231.10054	0.6
239.47023	0.4
241.04965	16.3
241.08632	1.4
259.06006	100.0
259.09521	7.0
259.20483	1.7
259.24191	1.2
260.06274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
50.07252	1.1
55.01855	4.1
56.05017	0.9
63.80985	0.9
68.99808	1.1
69.80721	3.0
69.81133	2.1
71.01361	1.1
72.08150	1.0
79.05480	1.7
81.02550	1.1
81.07027	1.4
81.45911	0.9
86.09656	1.7
93.07011	1.5
98.09673	2.2
103.05505	1.0
105.07019	1.7
105.84639	0.9
107.04926	3.2
115.05426	1.4
118.51470	1.0
128.06171	2.2
129.06987	2.6
135.04385	2.3
141.06963	2.3
143.08556	1.4
147.04358	1.4
152.06239	4.7
153.06985	13.6
154.07686	1.0
155.08556	3.4
157.06502	6.1
157.10086	1.4
161.05940	1.2
165.07036	8.1
169.06451	2.0
170.07266	11.4
171.08049	5.4
180.05624	1.7
181.06476	33.7
182.07263	8.2
183.08057	8.0
184.05159	2.2
185.05835	1.2
185.09604	8.5
195.08022	5.6
197.05919	2.6
198.06757	14.2
199.07549	19.0
209.05980	13.3
210.06779	2.6
213.09108	51.9
223.07477	2.5
226.06296	7.3
227.07040	52.2
231.09978	2.5
241.08595	75.2
242.08833	1.7
244.07097	2.3
259.09601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
52.89951	0.9
55.01868	1.8
55.57307	0.8
59.04986	1.5
67.01855	1.3
69.81162	4.7
72.66730	1.0
79.05488	1.4
81.03437	1.3
83.04994	1.2
91.05477	1.4
95.04919	1.1
98.21507	1.3
99.04467	1.5
107.04958	18.5
111.04437	2.6
115.05511	1.2
125.05988	3.2
127.03948	1.7
128.06226	4.8
129.07014	1.9
131.04918	3.5
133.06493	2.0
137.05965	3.6
141.06958	1.5
143.08594	4.4
145.06467	2.0
146.03619	0.9
147.04434	8.2
152.06200	2.3
153.07007	6.4
155.08614	1.5
157.06505	21.7
165.06981	2.3
167.04887	1.9
169.06454	2.1
170.07275	3.2
171.08060	22.8
181.06480	18.0
182.07234	3.6
183.08014	4.9
184.05220	3.0
185.04466	1.7
185.05995	23.1
185.09671	4.4
187.07610	1.0
189.09091	3.9
198.06841	5.2
199.07549	31.7
200.08226	1.9
203.10721	6.4
209.06006	2.0
210.06776	4.8
213.09125	13.2
215.06894	1.4
215.10635	7.0
217.08607	32.4
226.06294	4.4
227.06995	4.2
231.10159	16.8
241.08600	21.6
259.09671	100.0
275.87137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03938	2.0
54.44684	0.7
55.01863	2.6
60.98201	0.6
67.05493	2.1
68.99784	1.3
69.07058	0.9
71.01335	0.8
71.48155	1.2
77.03923	1.0
79.05489	6.8
81.03404	2.1
81.07053	2.6
85.02902	1.4
86.09734	0.8
89.03934	1.2
89.33750	0.6
90.72617	0.6
91.04984	0.9
91.05486	11.3
93.07021	2.2
95.04974	4.6
95.08602	2.1
97.02877	0.8
97.06533	1.2
100.02197	0.8
102.05399	0.6
103.05466	9.9
105.03419	0.7
105.04472	0.9
105.07030	2.1
107.04962	50.0
107.08567	0.7
109.02884	3.2
109.06533	1.7
109.10154	1.3
111.04493	1.4
111.84348	0.6
115.05487	1.6
117.03406	1.3
119.04941	2.8
119.08568	1.0
121.02863	1.8
121.06515	37.1
122.07276	1.0
123.04433	25.9
124.05260	1.8
125.06004	8.4
128.06171	1.2
129.07024	2.2
131.04033	1.0
131.04945	10.0
131.08556	0.9
133.02855	1.5
133.10136	1.7
134.03625	1.3
134.26022	0.7
135.04427	42.1
136.05229	4.1
137.02321	0.7
137.05989	10.2
139.07338	0.7
141.07016	1.6
142.07777	1.3
143.08530	0.9
145.06493	1.2
145.10167	1.0
147.04425	2.3
147.11684	0.7
149.05991	31.2
150.06778	23.6
151.07515	3.1
152.06232	6.3
153.07011	12.5
155.08560	1.8
157.06488	2.1
157.10103	1.2
159.11717	0.9
161.05977	1.0
163.07547	1.0
165.07014	2.8
167.08583	1.8
168.05815	0.7
169.06473	3.3
170.07248	4.8
171.08046	2.2
173.05969	1.7
174.06770	1.0
175.07509	1.7
180.05707	2.5
181.06490	15.6
182.07330	4.8
183.08055	1.3
184.05162	1.1
185.05966	1.8
185.09598	1.9
187.07576	1.2
195.08086	5.7
197.05977	3.3
198.06790	9.8
199.07594	6.4
200.04601	0.8
208.05313	1.3
209.06013	2.2
210.06706	3.0
213.07005	1.4
213.09109	21.8
215.07120	1.9
223.07553	2.7
226.06256	5.0
227.07106	5.7
228.07846	1.8
231.10120	2.0
241.08595	12.0
244.07281	1.9
259.09662	100.0
259.24084	0.8
260.09958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
55.01860	4.1
59.04971	1.0
67.05481	1.0
68.99784	1.9
71.05902	1.3
71.06195	1.1
78.07751	1.0
79.05484	3.2
85.06537	1.4
91.05486	1.8
95.04993	1.5
99.04473	1.1
107.04964	26.7
109.02904	1.4
109.06503	1.7
111.04443	3.1
115.05456	1.9
119.04951	1.0
119.08647	1.3
121.06495	1.1
125.06020	5.2
128.06229	4.7
129.06973	5.1
131.04898	2.3
133.06499	3.1
135.04424	7.8
137.05969	3.0
141.06995	2.7
143.08551	4.2
144.05728	1.6
145.06473	2.5
147.04451	8.5
152.06178	7.8
153.06999	28.7
155.04875	3.3
155.08574	1.4
157.06497	29.5
159.08041	1.3
165.07013	5.2
167.04977	1.4
169.06447	2.2
170.07278	3.0
171.08054	22.9
173.05986	1.5
180.05830	1.1
181.06483	72.9
182.07196	4.4
183.08058	3.5
184.05199	3.8
185.05988	20.4
185.09642	3.0
189.09149	2.8
197.06107	1.5
198.06752	5.6
199.07553	42.9
200.08253	1.5
203.10710	5.7
209.05983	51.8
210.06673	4.5
212.63356	1.1
213.05402	1.7
213.09108	12.7
215.07057	1.7
215.10619	5.9
217.08606	27.3
219.48393	1.3
226.06200	3.6
227.07040	88.1
231.10197	15.1
241.08609	27.4
259.09668	100.0
259.24228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
51.89870	0.6
53.03933	1.9
53.87112	0.5
54.58532	0.5
55.01863	1.5
55.05499	0.9
55.39758	0.5
57.38351	0.6
67.05495	1.9
68.99809	0.6
69.03424	0.9
69.07056	1.8
69.32748	0.6
69.54729	4.2
77.03910	0.9
78.04707	0.8
79.05142	0.6
79.05507	6.3
81.03407	2.2
81.07050	2.4
83.04964	0.8
85.02904	1.6
89.03914	1.6
91.05484	9.9
93.07034	2.7
95.04980	3.6
95.08582	2.1
97.06528	5.1
98.09706	0.7
98.20833	0.7
103.05475	7.8
105.03409	0.7
105.04500	1.2
105.07024	2.5
107.04961	43.1
107.08575	1.5
109.02860	2.1
109.06492	0.9
109.10150	1.2
110.03663	0.7
110.09670	0.6
113.04245	0.7
115.05434	1.1
116.89428	0.6
117.03379	1.3
119.04926	1.4
119.08568	1.6
121.02878	1.4
121.06507	30.1
121.10145	1.2
123.04433	21.6
123.11676	1.1
124.05255	1.3
125.06014	7.7
128.06239	1.1
128.44365	0.7
129.07007	1.6
131.04929	8.4
133.02866	1.1
133.10126	1.0
134.03621	1.3
135.04417	40.2
135.11771	0.7
136.05247	2.9
137.05981	9.4
142.07753	1.3
143.04932	1.0
143.08551	1.3
145.03944	1.1
145.10101	0.9
147.04373	1.6
147.11794	0.6
148.05246	1.0
149.05981	25.1
150.06770	21.4
151.04033	0.6
151.07501	2.6
152.06194	5.6
153.06992	11.5
154.07698	0.8
155.08553	1.2
156.08354	0.9
157.06476	1.7
157.10031	0.7
159.11719	0.7
161.02325	2.2
161.06015	1.5
163.03906	2.1
165.07030	2.9
166.07794	0.6
166.53362	0.6
167.08577	1.0
169.06528	1.8
170.07254	5.0
171.08023	1.7
171.11784	0.6
173.02339	2.4
173.06003	1.1
174.06567	0.6
175.07524	1.8
180.05713	2.0
181.06488	16.5
182.07271	4.1
183.08054	1.6
184.05226	0.7
185.06000	1.7
185.09612	2.5
185.13158	0.7
187.07608	1.0
195.08095	5.8
197.05965	2.4
198.06758	8.6
199.07521	6.6
199.14795	0.7
203.10654	1.1
208.05212	1.2
209.05971	2.0
210.06798	2.7
211.07449	0.7
212.08368	0.8
213.09114	22.7
215.07002	3.6
217.08415	0.6
223.07536	2.6
226.06270	3.1
227.07092	5.8
228.07794	2.3
231.10191	1.6
241.08597	11.6
243.06628	0.6
244.07280	2.6
259.09659	100.0
259.20578	2.5
259.24179	1.6
260.09982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
50.72483	0.3
51.70137	0.3
55.01869	0.6
58.68304	0.3
62.86021	0.3
63.86638	0.3
65.03944	2.4
68.99791	0.9
69.34599	1.7
69.35002	0.5
69.97186	0.3
79.05512	1.8
81.03447	0.4
82.23492	0.3
91.05486	100.0
92.05801	0.5
93.73653	0.3
97.06535	1.0
103.05453	0.7
105.07036	77.5
106.07360	0.4
111.00819	2.7
115.05466	1.4
123.04449	0.9
127.03917	5.0
129.07137	0.4
131.08597	1.2
133.06502	11.5
139.03894	2.1
144.56462	0.3
151.03914	1.2
153.01834	1.5
155.03398	3.2
157.06491	0.9
163.03902	1.7
167.08638	0.4
181.05026	0.4
181.06534	0.9
213.09140	0.5
227.07108	0.7
241.08623	2.2
259.09668	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	259.0968
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
54.52547	0.5
55.01861	1.7
55.05513	1.1
62.30853	0.5
67.05500	1.1
69.07057	1.8
71.18169	0.5
71.48642	0.8
71.78298	0.5
76.09059	0.5
79.05476	2.1
81.07050	2.0
85.02891	1.8
91.05473	2.4
93.07037	1.2
95.08591	1.6
97.06551	3.7
105.07036	3.2
107.04944	1.3
107.08567	1.5
109.10125	0.7
115.05511	0.8
117.07010	2.0
119.08573	2.2
121.06505	1.1
121.10105	1.0
128.06224	1.0
128.43413	0.5
129.06999	1.8
131.04961	0.8
131.08565	2.1
133.10126	1.6
135.04408	0.7
135.08041	0.7
137.05991	3.1
138.99190	0.6
141.06940	0.9
142.07715	0.9
143.08534	1.5
145.06454	1.1
145.10121	1.8
147.04424	4.1
147.11688	1.1
151.07520	1.1
152.06204	4.2
153.06993	14.0
154.07776	0.8
155.08521	1.3
156.05550	0.6
157.06467	1.8
157.10133	1.7
159.04359	0.5
159.08018	0.6
159.11693	1.8
161.02438	0.6
161.05998	1.3
161.13223	0.8
163.03891	1.3
165.06998	3.8
167.08600	1.6
169.06445	2.1
170.07268	3.1
171.08049	2.5
171.11731	1.4
173.02296	1.3
173.05875	1.0
173.09612	0.6
173.13289	1.2
175.07561	0.7
175.14839	0.7
180.05745	3.3
181.06483	19.0
182.07291	7.2
183.08040	2.3
184.05214	1.1
185.09586	3.5
185.13277	1.1
188.08348	1.8
189.09081	0.5
193.06638	0.6
195.08095	8.4
197.05954	2.0
198.06778	15.3
199.07582	5.8
199.11241	0.6
199.14795	0.8
201.05505	0.7
201.16258	1.0
203.10655	0.9
203.14447	0.6
208.05209	1.3
209.05928	3.8
210.06804	2.4
211.07568	1.6
212.08226	0.6
213.09126	37.6
215.07014	2.2
216.07887	0.7
217.08588	0.8
223.07558	4.3
226.06297	4.6
227.07062	9.0
228.07838	5.8
229.04945	1.1
231.10100	3.1
239.07068	0.8
241.08614	59.5
241.19487	0.7
242.08984	1.3
244.07172	3.5
259.09647	100.0
259.17017	1.5
259.20493	5.0
259.24210	2.0
260.10016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
51.62040	0.3
53.03955	0.4
55.01854	1.4
55.05492	1.4
55.44961	0.3
56.05017	1.0
57.03437	0.4
57.07063	0.4
58.11302	0.3
58.99564	1.3
66.69455	0.3
67.05481	1.5
69.07047	1.2
71.49063	0.4
71.49429	0.3
74.00639	0.4
79.05071	0.4
79.05497	4.5
80.05012	0.4
81.07065	3.8
82.06586	0.8
83.08605	0.7
84.04465	0.7
85.00668	0.5
85.01137	7.7
85.06534	0.4
85.58833	0.3
86.00647	1.8
88.02223	0.5
91.05499	2.3
93.07058	1.7
94.06561	0.6
95.08586	1.2
96.08116	0.8
97.06512	0.9
97.08910	0.6
98.09685	2.8
105.07021	3.3
107.04929	1.1
107.08559	1.1
108.08072	0.8
108.65619	0.3
109.06528	0.4
109.10110	0.8
110.09680	1.6
112.03949	1.2
113.04234	7.8
115.05482	0.5
116.01672	1.7
117.06989	1.6
119.08582	2.0
121.06509	0.8
121.10107	1.3
122.09672	1.0
123.11648	0.4
128.06204	1.3
129.06999	1.2
130.05002	3.0
131.04579	0.3
131.08575	1.6
133.10152	1.8
139.05724	0.6
141.06950	0.9
142.07788	0.5
143.08565	2.0
144.01123	0.4
144.05736	0.4
145.06436	1.2
145.10129	1.9
147.08083	0.5
147.11682	1.4
149.13245	0.3
153.06952	1.1
156.08423	6.1
156.10197	3.4
157.06517	0.8
157.10071	1.3
158.07254	1.1
159.07997	0.5
159.11729	1.8
161.05963	1.2
161.13281	0.5
162.02180	0.8
168.05704	0.8
169.06444	1.5
170.07239	0.9
171.08051	2.0
171.11618	1.1
172.08868	0.8
173.02328	0.5
173.06013	0.7
173.09544	0.4
173.13225	1.1
174.06706	0.7
175.07579	0.7
175.11093	0.8
175.14867	0.7
177.03127	0.4
181.06436	1.0
182.07272	0.7
183.04446	1.7
183.08063	0.4
184.05151	0.7
185.05948	1.4
185.09589	0.9
185.13271	1.2
187.07520	1.4
188.08315	2.6
189.03293	0.6
189.08990	0.9
189.16318	0.4
197.05995	0.5
198.06747	3.9
199.07561	13.2
199.14842	0.7
200.08310	0.7
201.05472	4.2
201.16354	1.5
202.06131	0.6
203.10678	9.1
203.12598	0.6
213.05579	0.5
213.09111	2.6
213.16188	0.5
215.07033	2.6
216.07825	3.1
226.06241	6.2
227.06995	0.9
229.04906	0.9
230.05690	1.5
231.08090	0.6
231.10158	5.6
241.08658	1.7
241.11948	0.4
241.19409	0.9
242.08496	1.2
243.06483	0.8
244.03635	0.5
244.07326	13.1
259.09631	100.0
259.16788	1.8
259.20444	4.6
260.09991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.11867	0.9
53.03943	1.3
53.84618	0.7
55.01874	4.7
55.05511	2.4
56.05032	0.9
56.26940	0.7
57.03440	1.2
57.40787	0.7
59.04999	1.8
67.05509	2.9
68.99796	2.4
69.03428	1.1
69.07071	2.6
71.04977	0.9
71.47791	0.8
79.05495	3.1
81.03434	0.8
81.07055	3.4
83.04962	1.4
83.08638	0.9
84.08145	0.7
85.06552	1.2
91.05492	6.3
93.07072	2.5
95.04964	2.2
95.08604	2.5
97.06529	7.2
97.95278	0.7
99.04463	1.8
103.05495	1.6
105.07033	8.3
107.04963	16.4
107.08613	1.8
109.06494	2.3
109.10155	1.5
111.04439	2.5
115.05476	2.7
117.06992	2.1
119.04951	1.3
119.08596	4.3
121.06527	1.7
121.10168	2.5
125.06004	5.1
127.03930	2.6
128.06207	11.4
129.07024	5.3
131.04929	5.0
131.08600	2.5
133.06520	8.6
133.10143	2.8
135.04407	2.5
135.08105	0.9
137.06053	1.9
139.05379	0.9
141.06992	3.9
142.07782	1.8
143.08528	6.3
144.05710	2.2
145.06490	4.4
145.10149	3.5
147.04420	5.9
147.08102	1.7
147.11667	2.3
152.06203	5.0
153.06996	16.1
154.07803	1.9
155.06061	1.3
155.08565	6.8
157.06494	42.7
157.10162	2.8
158.07283	1.4
159.04410	1.3
159.08083	2.3
159.11720	3.5
161.05998	2.3
161.09715	1.1
161.13257	1.9
163.03926	6.8
165.07030	20.2
167.04932	2.5
167.08606	1.6
168.05702	2.4
169.06442	3.9
170.07303	6.7
171.04413	1.1
171.08055	29.9
171.11749	1.0
173.02347	2.9
173.05952	2.2
173.13243	1.8
175.07541	1.5
181.06485	34.3
182.07274	8.4
183.08072	29.0
183.11717	0.9
184.05241	3.5
184.08835	1.7
185.05984	27.2
185.09586	8.1
185.13286	1.5
186.06639	0.9
187.07494	1.8
188.08339	1.5
189.09109	3.0
193.07608	0.9
195.08070	2.3
197.06012	2.0
198.06781	7.7
199.07553	56.5
199.14835	1.3
200.08327	11.7
201.05511	1.5
201.16420	1.9
202.06104	0.9
203.10635	11.8
203.12428	1.4
209.05920	5.0
210.06761	6.1
212.04764	1.2
212.08348	1.3
213.05624	0.9
213.09106	19.8
213.12337	1.1
214.09921	2.7
215.07111	3.8
215.10680	100.0
217.08627	12.9
226.06218	5.8
227.07043	11.0
228.07280	0.8
231.08084	1.7
231.10147	12.6
241.08623	33.1
241.12289	1.3
241.19557	1.8
259.09659	98.0
259.17279	3.6
259.20462	6.7
260.09909	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	259.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01634	0.7
55.01874	10.6
55.05514	9.3
56.05039	13.1
57.98794	0.9
58.99586	14.5
61.01155	4.1
65.03933	0.8
67.04250	1.1
67.05520	3.0
68.05031	5.8
69.07062	1.9
70.02943	1.4
70.06590	1.1
70.11887	2.6
71.08620	0.6
73.01133	1.3
74.00657	2.7
76.02230	3.8
76.04008	3.7
77.03918	0.6
79.05495	52.6
80.05016	5.6
80.06281	1.1
81.05796	1.9
81.07059	29.5
82.06123	1.2
82.06581	13.5
83.08617	2.7
84.04499	10.9
84.08147	1.4
85.01131	96.2
85.04028	6.0
86.00654	30.0
86.01441	0.9
86.99056	7.7
87.02690	1.0
88.02218	5.0
88.03990	1.6
91.05485	4.8
92.01685	1.7
93.05801	1.1
93.07041	5.6
94.06569	9.6
95.04970	2.0
95.07339	2.1
95.08617	4.6
96.08131	11.7
97.01122	4.2
97.06552	2.8
97.08919	9.3
98.09696	33.0
99.02689	0.8
100.02201	2.7
102.05538	1.3
105.04553	1.1
105.07034	8.9
107.07335	1.5
107.08578	1.1
108.08138	6.4
109.08923	3.1
109.10120	0.9
110.09690	16.1
111.02667	2.2
112.03969	12.2
113.04231	100.0
114.03785	1.1
114.04565	0.7
114.05539	1.2
116.01682	22.6
116.33897	0.6
119.08582	1.3
121.06528	1.0
121.10212	0.8
122.09675	13.3
123.10467	3.9
127.05796	1.4
130.05008	39.4
131.02779	0.6
131.04503	4.4
131.08588	1.4
133.10164	1.0
139.05785	6.2
141.07068	0.7
143.02742	3.2
144.01131	5.1
145.06129	1.0
145.10101	1.3
147.11746	0.8
156.08447	78.6
156.10220	41.9
157.08786	0.9
157.10162	1.4
159.11731	1.2
162.02206	6.7
163.03946	1.5
171.11728	0.7
173.13205	0.7
175.14774	0.6
177.03293	9.7
181.06520	0.7
185.05899	0.6
189.03307	7.1
198.06564	0.9
200.03893	0.6
201.16344	1.0
213.09059	0.9
215.07068	1.3
216.06985	0.9
218.46655	0.6
241.08588	1.6
241.19589	0.9
242.08490	15.0
259.11200	49.9
259.20493	3.7
260.25906	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	259.1331
Annotation	Stilbostemin D
Peak:m/z	Relative Intensity
51.02353	1.5
53.03936	3.3
53.13762	1.4
58.56086	1.4
61.19627	1.3
68.93025	1.1
71.32304	2.6
79.05497	14.2
88.60141	1.2
91.05482	23.0
93.07046	11.4
95.04958	2.3
98.27451	1.3
103.05474	21.0
105.07036	43.8
107.04949	5.3
108.05715	2.6
109.06498	3.0
118.04143	2.0
119.04932	4.5
120.05715	6.0
121.06511	65.8
123.08096	8.9
133.06506	5.4
134.07037	1.3
135.08058	90.7
136.05188	4.8
137.05978	38.3
138.06764	1.9
147.07675	1.5
151.07553	100.0
152.08041	1.3
152.57947	1.4
165.09091	4.1
227.10722	7.4
259.13318	67.6
259.28220	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.11474	0.4
52.91418	0.4
53.03933	1.8
55.01860	0.8
55.05510	11.3
57.03419	1.8
57.07072	2.2
62.70303	0.4
65.03940	1.0
67.05504	20.8
69.07063	7.9
69.40686	3.6
71.04981	1.8
71.08620	0.4
77.03910	0.7
79.05492	17.9
81.07055	20.2
82.83216	0.4
83.04955	1.0
83.08606	2.6
85.06533	2.3
91.05479	41.2
93.07042	19.6
93.07640	0.8
95.04954	1.9
95.08603	14.6
97.06525	1.8
97.10153	1.3
99.08080	1.2
103.05461	1.8
104.06250	0.5
105.07029	55.4
107.04933	0.9
107.08595	10.9
109.06498	1.1
109.10152	4.9
109.70467	0.4
111.08070	0.9
113.09618	0.6
115.05427	1.3
117.07016	15.1
119.08580	43.2
121.06505	0.8
121.09338	0.6
121.10148	6.8
123.08070	0.6
123.11703	1.4
125.09650	1.2
128.06187	2.4
129.07005	9.0
130.07744	1.2
131.08566	20.2
133.10130	35.3
135.08043	1.5
135.11696	4.3
135.69839	0.4
137.09625	0.9
141.06972	0.8
142.07793	1.5
143.07506	0.8
143.08559	9.7
143.09688	0.6
144.09352	1.2
145.10117	16.5
146.10887	0.5
147.08089	1.0
147.11682	27.3
149.09605	1.5
149.13292	2.7
151.11172	1.1
156.09312	0.7
157.10124	9.1
159.11688	13.5
161.09592	1.3
161.13252	18.5
162.59738	0.4
163.11232	1.0
163.14815	0.7
169.10172	0.8
171.11682	10.5
173.13269	8.8
175.11189	1.9
175.14818	10.2
177.12756	1.3
181.06470	0.6
185.13263	8.8
187.14803	1.8
188.74379	0.4
189.12703	1.3
189.16405	0.7
191.14343	0.6
195.78766	0.6
199.07477	0.6
199.14813	5.9
201.16414	1.5
203.10751	0.7
203.14262	1.1
213.16368	1.7
215.17838	2.1
217.15813	1.0
231.10143	1.7
231.17480	0.6
231.21150	3.2
235.70839	0.4
241.19504	18.2
259.09857	2.1
259.20569	100.0
260.20908	2.3
281.97635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	3.1
55.05515	13.2
57.03436	16.6
57.07060	4.2
60.20171	1.2
67.05507	21.8
69.07068	13.1
69.13972	2.2
69.14367	12.9
71.04964	2.8
71.08611	2.4
74.16348	1.5
79.05499	17.4
81.07059	22.2
83.04961	2.5
83.08612	9.8
85.06526	4.2
88.61880	1.3
90.62794	1.3
91.04905	2.3
91.05485	46.4
93.07043	21.7
95.04954	2.7
95.08601	20.8
97.06539	1.8
97.10175	2.4
98.21518	3.5
99.08087	3.2
103.05453	3.7
105.07037	70.5
107.04951	2.0
107.08610	14.7
109.06544	2.6
109.10147	4.6
111.08078	1.8
113.09663	2.0
114.50941	1.2
115.05453	4.6
117.07022	60.9
119.08585	49.1
121.06501	2.9
121.10159	14.1
125.09582	1.5
128.06235	7.3
129.07022	24.5
130.07776	4.9
131.08571	71.2
133.09120	2.7
133.10133	54.1
135.08051	4.2
135.11688	6.2
137.05888	1.9
141.07065	1.4
142.07756	4.3
143.08559	29.5
144.09315	2.9
145.10127	50.3
147.11693	41.3
149.09612	3.3
149.13278	3.6
151.07538	3.2
156.09332	3.1
157.10144	19.3
159.11697	93.5
161.13226	13.6
163.11201	3.9
171.11685	34.2
173.11774	2.9
173.13263	55.0
175.14842	6.1
177.12732	4.4
181.06499	2.5
185.13268	30.6
187.14836	51.3
199.14836	24.6
201.16446	5.2
203.18007	3.4
213.16400	6.6
227.07199	1.3
227.10030	1.6
231.25125	3.3
241.19516	37.0
244.07428	1.9
259.05923	2.5
259.09698	4.7
259.17154	4.7
259.20587	100.0
259.24750	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03940	1.6
55.01844	1.3
55.05513	8.4
57.07061	4.6
67.05500	8.2
69.03394	1.9
69.07071	26.3
71.04996	17.7
79.05497	6.4
81.07054	18.1
83.04971	4.2
83.08625	6.5
85.06544	16.8
91.05473	10.9
93.07040	12.9
95.04946	2.3
95.08601	15.1
97.06530	3.1
97.10154	2.3
105.03384	8.0
105.07021	23.6
107.08597	17.5
109.06505	5.0
109.10152	11.3
111.08080	10.0
115.05465	1.2
117.07016	7.1
119.08580	44.3
121.06482	2.2
121.10130	14.2
123.08060	3.3
123.11703	19.6
125.09598	1.5
128.06207	1.3
129.01819	4.9
129.06987	4.1
130.07732	1.7
131.08574	14.1
133.10132	28.6
135.08063	11.8
135.11700	4.3
137.09610	4.1
137.13168	1.4
138.20256	1.1
142.07829	1.3
143.08578	9.4
145.10120	30.2
147.08092	1.5
147.11679	16.7
149.09587	2.5
149.13231	3.3
151.07457	1.1
151.11115	1.5
155.08513	1.3
156.09378	2.0
157.10149	12.3
159.11696	27.2
159.13034	1.5
160.12428	2.6
161.09674	2.3
161.13255	27.2
163.11163	2.6
163.14867	2.0
170.10896	2.0
171.11711	14.4
173.13261	9.1
175.11209	5.1
175.14825	72.6
176.15648	5.8
177.12759	3.9
177.16371	3.2
179.14276	1.1
181.06448	1.7
185.13237	12.3
187.14838	1.1
189.12746	4.7
189.16367	6.0
190.13503	3.1
191.14354	1.8
199.14838	4.3
201.16380	26.0
203.10643	1.2
203.14336	9.3
215.17981	4.9
217.19524	3.0
231.96826	1.1
241.08701	1.9
241.19527	16.6
243.04163	1.3
244.12546	2.0
259.09619	3.2
259.14801	3.8
259.20572	100.0
260.20703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
54.22239	0.6
55.42291	0.6
56.05034	5.9
56.18615	0.7
56.96562	3.1
57.03437	1.1
58.06584	0.8
58.63889	0.7
58.89250	0.6
61.02906	0.9
67.05500	1.1
69.03449	3.3
69.07067	2.9
70.06585	2.9
71.05008	1.1
71.47578	1.2
72.08153	8.2
73.02914	1.7
74.06077	0.6
78.05465	0.7
81.03412	1.2
81.04535	1.0
83.06107	25.9
84.04509	43.1
84.08146	100.0
85.02903	3.9
85.06549	1.2
85.31931	0.6
86.03283	0.7
86.09710	66.7
96.04467	0.9
97.02895	2.6
98.97578	4.1
99.05581	1.2
100.07623	0.9
101.00901	2.1
101.07140	4.3
101.10771	3.2
102.05522	0.9
103.00652	0.8
107.04952	1.4
108.01327	0.7
109.02922	1.0
112.27885	0.7
112.99150	2.8
115.08733	1.5
116.07102	2.2
116.98567	1.4
119.01911	2.0
121.01686	0.9
127.03899	1.2
128.98634	0.8
129.06645	1.9
129.10248	16.6
130.05008	17.6
130.08644	9.8
131.00153	1.5
132.10205	13.4
133.03494	1.8
141.06635	1.1
143.11803	6.9
145.01715	0.8
145.03386	0.9
147.03090	0.8
147.07651	20.5
147.11293	16.1
148.06064	1.0
153.39508	0.7
157.13388	1.2
158.99651	1.0
161.02971	1.1
169.04402	2.2
169.54443	4.1
170.03340	0.9
170.05139	0.8
170.99673	0.9
171.11299	1.9
178.04945	3.1
178.55090	6.3
179.05093	1.2
185.02991	0.6
186.09175	1.9
190.05888	0.8
196.14452	3.3
197.12854	14.3
197.16653	0.7
219.01808	1.7
225.12363	1.7
229.03233	2.2
233.78122	0.6
236.06865	0.8
237.02898	1.3
242.14999	29.3
242.18684	1.3
243.13420	13.2
243.17081	6.6
255.03757	0.9
260.10754	1.1
260.16223	4.3
260.19772	16.0
261.05865	7.6
261.09601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
54.14340	0.7
55.21031	0.8
56.05033	7.8
56.95525	0.8
56.96562	3.5
69.07056	2.7
70.06601	1.6
70.24838	2.7
70.25184	1.2
72.08139	1.2
74.02435	1.2
83.06104	51.6
83.59011	0.9
84.04505	66.5
84.08142	40.7
85.02914	1.7
85.04830	1.0
86.09705	100.0
90.05537	1.3
97.02921	1.1
98.97588	5.5
101.07137	8.2
107.04870	1.6
110.97630	1.9
113.07190	1.0
116.98583	1.2
123.04461	4.4
124.04760	1.8
129.06595	4.6
129.10237	8.3
130.04958	1.6
130.06540	1.0
130.08646	5.8
132.10205	23.7
133.88934	0.8
140.03447	0.9
141.06595	1.1
143.11786	3.7
147.07666	1.0
147.11327	6.8
152.10736	1.3
152.54691	1.0
157.07582	0.9
157.13365	11.4
158.99738	1.1
171.11374	1.1
185.12906	3.6
186.09213	1.3
189.12405	2.3
191.77017	1.0
196.14444	6.5
197.12834	24.2
225.12379	3.3
237.02818	1.2
242.14995	54.9
243.13396	25.9
243.16058	1.3
243.17175	2.5
260.16354	1.5
260.19708	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	260.1972
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
53.54620	0.2
55.01867	0.2
55.05511	0.5
56.05037	2.8
56.24805	0.2
56.96574	1.8
57.03436	0.5
61.02929	0.4
67.05505	0.9
69.03432	0.6
69.07068	0.7
69.85748	1.2
69.86083	0.3
70.06586	0.6
71.04996	0.4
72.08150	2.3
78.83575	0.2
81.03430	0.3
83.06107	0.3
84.04504	4.2
84.08146	100.0
84.96033	0.2
85.02918	1.1
85.06572	0.6
85.08494	0.5
86.09709	14.9
97.02890	0.7
98.03206	0.3
98.97585	2.8
99.04501	0.4
101.00880	0.3
101.07150	0.5
101.10789	2.4
102.09191	0.5
110.97595	1.1
112.05088	0.6
112.07624	0.3
112.99135	1.4
113.03518	0.3
115.02496	0.4
116.07115	0.3
116.72268	0.3
116.98607	0.6
124.99124	0.3
128.98651	0.5
129.10248	12.1
130.05000	6.7
130.08646	5.4
131.00174	0.6
131.11826	0.3
133.03421	0.3
140.98573	0.5
141.10222	0.3
143.11807	1.7
146.99638	0.3
147.07654	7.9
147.11287	9.2
148.03830	0.4
150.03535	0.3
155.01904	0.3
158.99704	0.4
169.04372	1.0
169.54596	1.4
170.03372	0.4
171.11314	0.8
173.01242	0.3
173.02997	0.3
178.04926	1.2
178.55112	2.5
179.05232	0.3
180.04701	0.2
180.13808	0.3
197.16551	0.5
201.00603	0.3
219.01784	1.1
221.05029	0.3
226.14441	0.6
237.02750	0.6
242.18593	0.9
243.13394	0.7
243.17050	7.1
250.57361	0.5
260.06900	0.4
260.16266	1.4
260.19702	15.1
261.05807	1.3
261.09210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.05026	2.3
56.96568	41.8
57.03435	1.0
60.04521	1.0
65.91224	1.1
69.03421	2.3
69.07064	1.2
69.73668	1.6
69.74064	4.4
70.06593	1.7
70.98119	1.5
71.95254	2.6
72.08174	1.4
73.02910	1.4
74.97620	5.1
83.61102	0.9
84.04523	6.8
84.08150	26.0
84.96045	10.0
85.02895	3.7
85.08475	7.5
86.09707	26.8
86.97592	3.1
87.10058	1.1
91.05490	1.1
92.98629	1.3
94.79164	1.0
97.02908	3.3
98.97590	100.0
101.00860	2.6
102.01769	3.7
102.96884	3.1
107.04938	7.6
110.97575	23.8
112.99129	7.2
115.00688	1.0
116.98621	25.9
119.01929	2.6
120.97940	0.9
124.99131	10.7
127.00691	3.2
128.98628	14.7
129.02248	2.7
129.10228	4.2
130.08640	2.6
130.10542	1.9
131.00159	3.6
132.10194	2.7
132.95891	1.0
134.99655	4.1
139.00746	1.1
140.98607	11.6
143.00177	22.9
143.01849	1.3
144.98120	0.9
145.01695	1.0
146.99615	4.4
147.03271	1.1
147.11281	3.1
148.02284	3.9
148.06041	3.2
148.11697	1.7
152.98605	6.8
155.00189	3.3
156.98161	1.9
157.01697	1.1
157.03563	1.2
158.99680	17.9
161.01241	9.9
161.02950	2.4
170.99649	12.5
173.01251	14.0
173.02675	1.8
173.04922	1.8
175.02768	1.6
177.00719	12.8
182.99640	5.3
189.00713	8.5
191.02283	7.6
193.04059	1.0
195.01808	1.3
197.12811	2.0
201.00729	15.0
201.02477	1.1
207.01678	1.1
213.00772	1.1
214.36201	0.9
219.01782	34.0
219.08922	1.0
221.05107	1.2
237.02821	29.4
241.06163	1.0
243.01973	1.3
243.13527	2.5
244.17346	1.2
253.07445	1.5
255.03911	1.2
260.19653	1.0
261.02866	21.2
261.05893	6.6
261.09796	2.1
261.15277	2.6
261.20010	3.6
271.08612	0.9
273.03729	1.0
278.96991	2.6
279.03882	10.9
279.06979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1124
Annotation	Tristin
Peak:m/z	Relative Intensity
53.03953	3.0
55.01879	1.1
57.07073	0.5
65.03946	2.4
67.05507	3.9
68.99810	0.5
69.07055	0.8
70.06606	0.7
71.03137	0.5
77.03906	0.5
79.05485	7.5
81.03403	0.7
81.07057	18.5
83.04983	0.6
84.08157	0.8
85.02888	0.9
85.06538	0.6
86.09712	2.8
89.03924	1.5
90.04710	0.5
91.05487	20.5
93.07042	9.6
94.04185	1.6
95.04967	4.4
95.08615	0.7
103.05473	8.9
105.04520	1.7
105.07049	2.3
107.04970	4.7
107.08594	0.7
108.05766	3.2
109.02873	0.6
109.06524	18.2
109.07277	1.0
115.05461	1.0
117.03383	7.1
117.07025	0.6
118.04154	2.1
119.04942	5.9
119.08618	1.1
120.08110	2.4
121.06522	5.3
121.10205	0.6
123.04434	17.3
123.08068	8.3
125.05986	2.3
129.06979	1.1
129.10304	0.5
130.06522	0.5
131.03404	0.6
131.08585	0.9
133.06490	6.0
133.10062	0.8
134.03630	0.7
135.04442	1.2
136.05217	6.5
137.05984	71.1
138.06726	0.6
139.07552	3.9
141.06996	1.0
143.08601	0.5
145.02861	14.0
145.06447	1.1
147.30835	0.5
149.05956	2.3
151.07549	100.0
152.07910	1.5
153.07019	1.5
155.08589	1.7
157.06451	1.1
157.10141	0.9
159.08101	0.6
160.05179	1.2
161.05995	1.1
165.07004	2.2
168.05659	0.8
173.06004	0.7
173.09671	0.6
173.13275	0.6
174.06816	0.8
175.07542	1.7
177.05478	24.5
182.07303	0.7
183.08107	3.9
185.05954	1.2
185.09637	0.7
187.07520	2.0
189.09100	2.0
197.05986	0.5
197.09521	0.9
199.11163	0.5
201.05441	1.1
201.09096	2.0
205.04964	0.6
210.06801	0.9
211.07576	2.7
213.05492	1.4
213.09335	0.4
215.06975	0.6
215.10686	5.3
217.12288	0.5
219.06505	0.6
225.09114	1.2
228.07784	1.7
229.13347	0.9
243.06433	1.0
243.10155	8.9
261.11215	45.4
262.11542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1121
Annotation	Tristin
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	1.3
55.05508	1.0
61.61975	0.5
63.99382	0.6
64.41240	0.5
65.03934	1.1
67.05504	3.9
69.03427	1.0
69.77235	2.9
77.03883	0.7
79.05495	7.3
79.50591	0.6
81.07058	16.9
84.08153	0.7
86.09714	3.3
89.03903	1.4
91.05482	22.1
93.07048	9.0
94.04153	2.3
95.04968	4.2
95.08588	1.0
97.60371	0.6
98.20747	0.8
103.05473	9.1
105.04514	1.2
105.07014	1.4
107.04978	3.3
108.05748	3.9
109.06520	16.4
110.88539	0.7
115.05447	0.8
117.03378	3.1
117.07038	0.8
118.04153	2.2
119.04957	3.8
120.08114	2.7
121.02821	0.7
121.06511	3.9
123.04442	16.2
123.08080	7.2
125.05981	2.2
129.06932	0.9
131.08572	0.7
133.06494	5.3
136.05199	5.7
137.05981	66.2
138.06676	1.0
139.07536	2.6
143.08569	0.8
145.02821	5.6
145.10092	1.0
149.05923	1.3
151.07545	100.0
155.08557	3.0
157.06509	0.6
157.10182	0.7
165.06996	1.1
169.06483	1.0
173.09625	1.1
175.07524	1.1
177.05467	8.9
183.08026	3.0
189.09105	2.0
200.08472	1.1
201.09189	1.1
211.07530	2.9
213.05563	1.1
215.06963	0.9
215.10660	3.5
218.07249	1.6
225.09044	1.7
226.70294	0.6
229.13321	0.7
243.10182	8.5
261.09119	2.2
261.11249	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03948	1.6
53.85553	1.5
55.01864	2.1
55.05283	1.3
55.05517	22.0
59.04990	3.9
66.28576	1.6
67.05505	11.1
67.85709	1.3
69.07058	9.8
71.04987	4.6
71.49181	2.6
73.06539	1.6
79.05497	11.6
81.07059	28.7
83.04977	4.5
83.08607	2.3
85.06525	5.2
88.35369	1.3
91.05489	14.7
93.07039	19.5
95.08612	20.2
97.06550	2.4
99.04482	8.7
101.06007	10.5
103.05470	1.4
105.07034	68.0
107.07890	1.7
107.08597	23.6
109.06510	3.5
109.10133	8.1
117.07023	6.2
119.08588	69.4
121.09327	2.6
121.10140	30.6
123.08038	1.7
123.11678	1.5
127.07517	1.8
130.07796	1.7
131.08571	14.8
132.09396	1.9
133.10143	17.7
135.08049	3.4
135.11699	3.1
141.07112	1.6
143.08521	5.1
144.09363	1.8
145.10124	38.2
146.10773	1.9
147.11688	60.3
149.09631	3.3
153.02136	1.5
155.08565	2.7
157.10161	6.7
159.11717	19.9
160.12471	5.3
161.09598	1.7
161.13268	16.1
163.11182	1.8
167.10738	2.3
169.10179	6.7
171.03151	2.9
171.11653	2.1
173.09596	2.2
173.13307	7.5
175.11122	2.3
183.11693	5.2
187.11160	4.6
187.14766	2.5
191.10617	4.1
197.13248	3.4
199.14825	3.4
201.12759	4.0
201.16411	16.2
202.16647	1.6
205.12273	4.4
215.08597	3.3
215.17923	1.7
225.16347	12.7
243.17445	11.7
243.21332	1.6
261.12720	5.4
261.18500	100.0
262.14377	3.0
262.18881	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03926	5.6
55.05513	12.7
57.07060	4.7
57.79076	2.0
59.98266	1.8
65.03920	2.9
67.05146	2.2
67.05508	40.8
69.07071	15.1
71.05000	2.4
71.49368	1.8
79.05495	57.2
81.06606	2.5
81.07056	46.0
83.08627	9.9
85.06538	3.5
91.05481	30.0
93.07043	73.9
95.04985	4.9
95.08607	32.9
97.06516	3.6
97.10107	3.2
99.08090	3.7
103.05474	2.5
105.07035	20.8
107.08592	45.8
109.10165	14.1
111.08063	4.8
113.09636	2.0
117.06992	6.1
119.08589	15.4
121.09345	3.0
121.10149	41.0
122.82378	1.8
123.08055	2.6
123.11744	4.3
131.07704	1.8
131.08556	12.7
133.10124	14.7
135.11703	38.3
137.13216	3.0
145.10144	13.7
147.11696	11.9
149.09666	1.9
149.13275	21.6
159.11691	14.4
161.13272	10.3
163.14824	19.0
173.13248	8.0
175.14836	4.7
177.16371	3.9
187.14812	6.3
201.16304	2.7
215.17953	2.2
243.21085	22.9
261.13007	7.6
261.22104	100.0
262.17975	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	3.4
55.01845	1.3
55.05275	1.0
55.05512	13.4
57.03428	3.2
57.07059	3.7
64.80243	0.8
65.03917	2.6
67.05508	43.0
69.07076	12.9
69.80279	2.6
69.80711	3.0
71.04979	3.5
71.08624	2.1
77.03931	1.0
79.05497	56.3
81.07060	53.0
83.04961	3.7
83.08630	7.4
85.06540	4.5
91.04910	1.7
91.05482	35.6
93.07047	75.1
95.04965	4.8
95.08612	36.9
97.06514	4.0
97.10159	3.4
98.21476	1.9
99.08085	5.0
105.04529	1.4
105.07034	26.5
107.04929	1.3
107.08597	51.4
109.06516	2.6
109.10153	14.8
111.08118	4.8
113.09622	1.0
117.07017	7.2
119.06015	1.2
119.08586	23.8
121.06512	1.2
121.10147	39.9
123.08061	2.1
123.11704	5.3
129.07037	1.3
131.08571	18.7
133.10135	21.1
135.08064	2.4
135.11700	36.0
137.09605	2.1
137.13232	1.2
139.11093	1.0
145.10138	17.8
147.11703	13.7
149.13260	28.0
151.14844	1.0
153.12770	1.1
159.11703	13.6
161.13280	12.4
163.14836	18.6
165.12761	1.8
173.13286	11.2
175.14806	3.5
177.16383	5.5
179.14278	1.9
187.14842	7.8
189.12807	1.1
189.16386	1.1
201.16379	3.7
205.15913	1.8
215.17966	1.8
219.17505	1.5
233.22646	1.4
243.21100	32.7
261.18585	12.6
261.22144	100.0
262.22363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	4.4
54.75644	1.0
55.05511	15.0
57.03445	1.8
57.03738	1.1
57.07068	4.1
57.38728	1.1
65.03919	1.2
65.67436	1.1
67.05506	43.8
69.07071	13.0
69.23502	3.8
69.23924	5.9
71.04988	3.1
77.03916	1.6
79.05495	65.1
80.11082	1.0
81.07056	50.4
83.08615	7.3
85.06532	4.8
91.05476	30.7
93.07043	79.8
95.04942	3.0
95.08608	37.7
97.06518	4.0
97.10137	3.1
97.57684	1.1
99.08086	3.3
103.05450	1.3
103.68948	1.0
105.07026	20.1
107.08594	48.4
109.06545	1.9
109.09470	1.6
109.10158	16.4
111.08079	2.8
111.11653	1.3
117.07008	5.9
119.08575	14.6
120.76190	1.0
121.10146	43.1
123.08063	1.3
123.11707	5.2
131.08568	13.9
133.10130	12.5
135.11693	36.7
137.09622	2.6
137.13284	1.7
145.10129	13.5
147.11678	10.3
149.12054	1.5
149.13266	31.7
159.11693	12.2
161.13264	13.1
163.14824	20.7
173.13274	10.8
175.14825	4.2
177.16394	5.6
179.14307	2.1
179.75804	1.1
187.14864	6.5
201.16386	2.9
215.18044	2.1
217.19543	1.4
217.64825	1.0
235.76439	1.1
243.21088	30.3
261.22134	100.0
262.22556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03939	2.2
55.05516	12.7
57.07060	3.3
65.03934	2.3
67.05506	40.1
69.07068	11.9
71.04989	1.3
71.33017	1.5
77.03933	1.2
79.05493	49.3
81.07059	42.7
81.07491	0.8
83.08625	4.7
85.06528	3.2
88.78233	1.0
91.05486	26.8
93.07047	68.2
95.04948	2.8
95.08611	33.4
97.06516	2.9
97.10129	2.1
99.08098	3.3
105.07035	16.8
107.08593	41.8
107.09316	2.1
109.06515	2.1
109.10166	14.9
111.08101	2.4
113.09692	1.1
117.07017	8.2
119.08588	14.8
121.10148	37.8
123.11703	3.7
125.09570	1.1
131.08571	13.2
133.10123	9.8
135.11693	32.0
137.13214	1.4
139.11153	1.2
145.10138	12.9
147.11682	11.2
149.13268	26.0
151.11198	1.3
153.12723	1.0
159.11696	8.9
161.13263	12.3
163.14819	18.3
165.12756	1.5
173.13242	10.4
175.14844	4.3
177.12830	1.0
177.16418	4.4
179.14326	1.8
187.14825	6.6
201.16403	2.3
215.18008	1.8
233.22662	1.2
243.21098	25.4
261.22153	100.0
262.22354	1.4
275.69006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	4.2
55.05277	1.2
55.05516	16.2
57.03436	1.5
57.07076	5.7
65.03931	1.8
67.05511	52.7
69.07067	14.7
70.10794	1.9
71.04990	3.5
71.08602	1.5
77.03944	1.8
79.05499	67.8
80.46372	1.1
81.07062	59.2
83.08624	8.9
85.06549	5.5
91.05488	30.6
93.07051	87.3
95.04972	3.9
95.08614	45.3
97.06532	4.0
97.10167	2.7
99.08096	3.9
101.34645	1.0
105.04483	1.3
105.07045	22.8
107.08606	52.1
109.06533	1.2
109.09473	1.6
109.10163	17.2
111.08079	3.3
117.07027	6.9
119.08585	18.2
121.10149	45.4
123.08131	1.5
123.11737	5.9
129.06984	1.3
131.08591	16.8
133.10141	13.2
135.10704	2.2
135.11700	35.8
136.15329	1.2
137.09666	2.4
137.13278	2.4
145.10121	16.8
147.11696	15.2
149.12074	1.6
149.13266	28.5
153.12816	1.6
158.23418	1.1
158.84949	1.1
159.11713	12.0
161.13266	14.8
163.14816	24.4
173.13260	11.2
175.14836	4.9
177.16411	5.1
179.14316	2.3
187.14812	8.6
201.16393	3.4
219.17522	1.2
233.22701	1.4
237.58638	1.0
243.21107	31.8
261.22156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46362	1.1
50.93799	1.3
53.03948	3.6
55.05515	13.3
57.07058	4.5
65.03960	1.5
66.55885	1.0
67.05507	42.6
69.07069	11.4
69.32026	8.1
69.32426	2.2
71.08640	1.2
73.15234	1.0
77.03923	2.4
79.05495	60.4
81.07057	49.8
83.08631	8.6
85.06519	3.4
91.05478	29.3
93.07046	77.5
95.04951	3.1
95.08607	35.9
97.06522	3.3
97.10150	3.2
99.08078	3.4
105.04539	1.9
105.07031	20.2
107.08594	52.6
109.10155	15.9
111.08062	2.4
111.11680	1.3
113.09673	1.3
117.07018	6.7
119.08578	15.4
121.10150	45.7
123.08085	2.1
123.11684	3.7
129.06960	1.2
131.08577	17.1
133.10124	16.4
135.11696	35.6
137.09634	1.3
137.13242	1.3
138.38173	1.1
145.10106	16.6
147.11679	12.8
149.12073	1.4
149.13255	28.9
151.11168	1.5
159.11685	10.3
161.13269	16.0
163.14833	20.8
173.13239	10.0
175.14841	4.3
177.16362	4.9
179.14240	1.3
187.14871	9.9
194.53606	1.1
201.16301	4.1
215.17999	2.7
232.31323	1.2
233.22728	1.1
236.54219	1.2
243.08142	1.5
243.21082	31.9
250.66736	1.2
261.09015	2.0
261.22141	100.0
262.22464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	3.4
55.05511	13.8
57.03447	2.0
57.07063	3.2
65.03941	2.0
67.05503	34.7
69.07065	11.2
70.61332	1.9
70.61708	2.6
71.04990	2.4
79.05497	50.3
81.06595	2.3
81.07058	42.6
82.42625	1.2
83.08628	4.8
85.06540	2.7
91.05488	24.4
91.06387	1.3
93.07045	62.0
95.04953	2.6
95.08611	29.4
97.06502	3.2
97.10193	3.4
99.08108	3.7
105.07032	16.7
107.08595	37.5
109.06492	1.6
109.10168	14.8
111.08072	3.4
117.07021	5.3
119.08586	16.8
121.10143	43.8
123.08033	2.2
123.11700	4.9
131.08563	12.6
133.10135	14.9
135.11702	33.7
137.09549	1.5
145.10139	15.7
147.11691	9.6
149.13264	28.7
151.14792	1.7
159.11697	10.0
161.13266	14.0
163.14822	19.7
165.12753	3.0
166.19591	1.2
173.13272	10.2
175.14842	5.2
177.16359	5.3
179.14236	2.0
187.14795	6.4
201.16431	4.5
207.27699	1.2
215.17963	2.5
219.17360	1.7
243.21071	33.3
246.24176	1.3
261.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.0
53.03933	4.6
55.01864	2.1
55.05270	1.4
55.05512	16.8
57.03412	1.7
57.07080	6.0
60.13539	1.0
65.03931	2.2
67.05505	48.2
69.03416	1.5
69.07065	17.3
71.04974	3.3
71.08636	2.0
79.05494	69.8
81.03415	1.1
81.07058	62.8
81.14426	1.1
83.04972	1.6
83.08624	6.7
85.06545	4.9
85.10207	1.2
91.05484	38.7
93.07047	88.6
95.05003	5.6
95.08606	42.6
97.06528	4.1
97.10159	3.3
98.20739	3.4
99.08082	4.9
101.37072	1.2
102.06400	1.1
105.04493	1.7
105.07032	21.9
107.08595	59.9
108.93593	1.1
109.06533	2.3
109.10164	15.7
111.08088	5.1
113.09653	1.2
115.05453	1.3
117.07018	8.4
118.88964	1.3
119.06060	1.0
119.08569	20.8
119.42436	1.2
121.10149	46.9
123.08111	2.6
123.11707	4.3
125.09582	1.2
131.08572	19.5
133.10130	14.6
135.08037	1.1
135.11700	40.3
137.09618	2.9
137.13220	1.6
145.09059	1.8
145.10124	19.4
147.11694	14.2
149.09644	1.1
149.13251	28.4
159.11699	15.0
161.13275	14.3
162.10609	1.1
163.14812	23.5
165.12773	2.0
173.13289	11.3
175.14816	5.8
177.16420	6.4
187.14830	9.8
201.16403	4.0
205.15810	1.3
208.17064	1.2
213.26091	1.1
215.17937	2.6
229.21387	1.2
233.22539	1.6
243.21089	36.6
261.22137	100.0
262.22845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.73657	0.9
53.03937	2.2
55.01873	1.5
55.05508	12.1
56.31535	0.8
57.03434	0.9
57.07079	5.8
59.79594	0.8
65.03940	1.6
67.05508	39.2
69.07068	11.5
69.90385	0.9
70.66498	2.3
71.04980	2.4
71.08610	1.9
79.05493	41.9
80.61719	0.8
81.07058	49.0
81.71183	0.8
83.04962	3.5
83.08621	7.8
85.06534	3.7
91.05483	26.0
93.07047	55.2
95.04966	3.3
95.08607	36.9
97.06530	5.2
97.10161	4.5
99.08086	3.9
105.04523	1.6
105.07031	23.7
107.04906	1.0
107.08597	36.3
109.06525	2.7
109.10164	19.0
111.08069	4.3
113.09640	1.3
117.07020	7.8
119.08582	19.9
121.10148	33.9
123.08052	2.6
123.11721	5.8
124.20314	0.9
124.63651	0.8
125.09629	2.0
129.06999	1.4
131.08577	24.3
133.10138	20.0
135.08066	1.3
135.11697	29.5
137.09593	3.5
137.13268	2.3
139.11208	1.5
145.10118	20.1
147.11684	16.9
149.09573	2.0
149.13269	16.6
151.11247	1.5
151.14783	1.2
159.10460	1.5
159.11699	17.7
161.13251	17.7
161.14470	1.5
163.11182	1.0
163.14835	16.0
165.12788	2.3
171.11714	1.4
173.13274	14.1
175.14848	6.3
177.16386	4.3
179.14275	2.3
187.14816	12.3
191.14339	1.3
193.15733	1.0
201.16377	5.4
203.17924	2.2
215.17897	3.5
217.19527	4.5
233.22557	1.1
243.21098	55.3
244.21446	1.2
261.12872	2.0
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	3.8
53.26664	2.0
55.05514	19.5
57.07064	7.7
67.05505	33.4
69.06740	2.4
69.07076	28.7
69.20678	11.9
69.21098	7.6
71.04984	5.8
73.41953	1.8
74.12181	2.1
79.05495	32.0
81.07060	50.1
82.06053	2.0
83.08607	8.5
85.06523	7.4
86.38089	1.8
91.05480	32.8
92.49775	2.1
93.07047	94.6
95.04997	2.2
95.08609	60.7
96.18765	2.2
97.10162	7.8
98.20757	4.8
99.08074	6.7
100.42536	2.5
105.07035	44.0
107.08601	59.1
109.06521	5.6
109.10162	43.3
111.08095	2.4
113.09681	3.1
117.07024	9.9
119.08583	45.5
121.10147	45.9
123.08104	2.0
123.11711	8.6
125.09631	3.7
131.08582	20.1
133.10143	60.0
135.11696	38.2
137.09564	2.0
137.13274	2.8
139.11189	3.1
140.28793	2.1
143.08597	2.5
145.10139	27.8
147.11679	43.3
149.09552	2.6
149.13257	21.6
151.07465	2.5
151.11192	21.6
157.10152	2.7
159.10486	2.7
159.11708	33.3
159.38126	2.1
160.12537	2.4
161.13263	24.8
163.11205	3.2
163.14812	9.8
165.12756	6.0
171.77191	2.4
173.13284	22.1
175.14796	6.3
177.12758	2.9
179.14247	3.6
185.13109	2.4
187.14832	31.5
191.14282	2.6
191.17897	5.3
201.16423	24.5
203.17982	78.3
215.17993	4.2
227.10300	2.3
232.08626	2.1
239.09865	2.3
243.21098	77.7
246.13997	2.6
261.09073	2.7
261.12720	4.6
261.16196	3.9
261.18887	4.4
261.22153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03952	5.1
55.01860	2.4
55.05283	1.1
55.05513	18.2
57.03421	2.0
57.07077	8.5
62.29352	1.0
65.03925	3.1
67.05508	52.8
69.07068	15.3
71.04976	2.6
71.08622	3.9
77.03913	1.9
79.05497	77.0
81.07058	55.1
83.04948	1.6
83.08623	9.1
85.06539	4.2
85.10172	2.7
91.05486	38.6
93.07048	99.7
95.04976	8.0
95.08611	42.4
96.08823	1.0
97.06544	6.6
97.07052	1.2
97.10168	2.4
99.08114	4.6
105.04532	2.3
105.07034	29.1
107.04935	2.1
107.08596	59.1
109.06496	2.7
109.09475	1.3
109.10155	13.3
111.08055	2.4
113.09653	3.5
117.07021	10.5
119.08585	17.8
121.06482	1.4
121.10144	46.8
123.08049	2.8
123.11669	3.8
125.09647	1.7
129.07031	1.1
131.08569	21.1
133.10144	15.8
135.08028	3.1
135.11697	34.4
136.46449	0.9
137.09622	2.3
137.13199	1.7
143.08524	2.4
145.10132	19.3
147.11674	11.8
149.09642	9.1
149.13263	23.1
151.14934	1.5
159.11684	11.2
161.13269	10.9
163.11160	2.2
163.14838	18.5
173.13274	12.8
175.14799	4.3
177.12766	2.2
177.16409	5.9
179.14250	1.1
187.14810	6.9
189.16397	1.3
201.16386	2.3
205.15858	1.5
215.08571	8.6
215.17923	1.0
217.19429	1.8
219.17499	1.6
233.09586	1.7
233.22618	3.6
243.08133	2.5
243.21086	30.9
261.09146	6.2
261.18765	3.7
261.22128	100.0
262.22546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16730	14.6
61.30009	16.4
61.55829	17.8
70.27199	16.1
70.75164	37.6
85.44801	16.4
91.47800	17.7
101.00865	16.2
101.13860	14.9
119.01849	17.5
143.01892	44.9
155.01918	21.4
161.02989	83.5
180.27974	20.6
191.42963	23.5
203.04005	20.7
210.23743	16.6
263.01660	100.0
263.05560	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21735	0.5
56.26472	0.6
56.96564	3.6
62.11523	0.6
62.36563	0.7
69.03433	1.1
70.06583	0.6
70.07243	0.6
70.21828	2.6
70.99855	0.9
71.06918	0.5
72.08150	0.7
73.02907	0.9
80.84407	0.6
82.99843	7.9
84.08156	1.0
85.02908	1.7
86.09715	1.0
86.99316	0.9
94.99795	0.7
97.02900	2.3
98.97587	4.7
101.00889	44.5
102.00940	0.6
107.04915	1.3
109.02869	0.7
110.97569	1.0
112.99138	0.9
113.00872	13.0
115.02433	1.3
116.65004	0.5
116.98634	2.1
119.01928	29.7
128.98686	0.6
129.10297	0.6
131.00931	1.1
131.01906	18.7
137.02972	1.0
139.02406	1.6
143.01904	75.5
144.01990	1.2
145.03461	2.3
149.02986	0.8
155.01910	13.7
157.03467	3.2
161.02963	100.0
162.03143	0.9
166.67010	0.6
167.01924	3.1
169.04443	0.8
170.95988	0.8
173.02971	31.1
175.04546	1.0
179.04021	1.1
184.04526	1.1
185.02951	8.6
188.97191	0.8
191.02505	0.4
191.04013	14.9
197.03020	2.8
203.04018	24.1
204.04285	0.9
215.04060	1.8
221.05072	4.0
233.05162	1.6
237.02814	0.6
245.05130	1.5
263.06134	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1392
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
56.05018	0.5
61.01130	0.7
61.89402	0.4
65.01898	0.4
67.05492	0.5
70.06593	35.1
70.73629	0.8
71.04990	0.3
71.53986	0.4
72.08141	0.5
78.03781	0.4
79.05494	0.7
81.07046	0.4
83.04981	0.3
84.08154	0.9
86.06061	0.8
86.09713	2.2
91.05490	2.2
91.79894	0.4
93.07040	3.0
94.06596	0.5
97.02905	1.4
98.06052	1.3
101.00626	0.4
103.05459	7.3
103.19208	0.4
104.05316	0.6
107.04951	1.4
114.05552	0.7
115.47506	0.4
116.07095	77.6
119.01643	1.1
119.04929	0.9
120.08105	100.0
121.06548	0.5
121.08466	0.9
123.04449	0.8
136.07616	0.8
137.05980	0.5
143.08632	0.4
147.01096	2.5
147.04398	3.0
149.07433	1.2
151.97488	0.4
157.07631	0.9
166.08658	0.7
174.05812	0.5
175.04163	1.1
175.07494	0.6
200.10652	0.6
217.13481	1.0
245.09761	0.6
245.12794	1.9
262.36346	0.4
263.10669	2.2
263.13910	13.5
263.16501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1396
Annotation	H-Pro-Phe-OH
Peak:m/z	Relative Intensity
55.93132	0.3
56.05042	1.0
56.96558	0.6
61.01148	0.4
66.03724	0.2
67.05511	0.3
68.05045	0.4
69.03471	0.4
69.07076	0.6
69.84524	0.9
69.84933	0.6
70.06598	100.0
71.06950	0.3
72.08164	0.5
79.05504	0.4
81.03428	0.3
84.04519	0.7
84.08136	1.2
85.02931	0.3
86.09713	31.8
91.05496	0.9
93.07039	0.3
97.02911	0.5
98.09657	0.3
98.97581	0.6
102.05546	0.4
104.05349	1.5
107.04965	2.1
110.07198	0.4
116.98627	0.3
119.04951	0.6
120.08117	2.7
121.02906	0.3
130.05032	0.3
133.03209	1.3
136.07611	0.5
147.04430	1.8
150.05850	5.0
157.06499	0.4
161.02931	0.5
166.08672	0.8
169.13359	0.5
173.02621	0.3
175.03880	0.4
191.03499	0.4
203.07076	0.8
207.09895	0.2
217.08588	0.4
217.13571	1.3
219.01636	0.3
222.21533	0.3
237.02957	0.4
245.08046	0.5
245.12914	2.3
263.09302	2.5
263.13943	13.4
263.16855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03938	5.7
55.05511	19.3
57.03444	1.8
57.07063	3.7
62.92541	1.2
65.03932	3.1
67.05145	1.7
67.05505	31.0
69.03408	1.3
69.07067	16.4
69.53181	3.4
69.53596	6.2
71.05008	3.6
74.79444	1.3
79.05497	84.5
81.06586	2.5
81.07058	36.3
83.04977	3.1
83.08628	7.4
84.91660	1.2
85.06538	4.1
87.09828	1.3
91.05485	36.0
93.07050	100.0
94.07378	1.5
95.04962	5.7
95.08611	31.6
97.06532	3.1
97.10184	4.1
105.04479	1.9
105.07030	21.3
107.04967	4.1
107.08600	67.7
109.06505	3.1
109.10164	14.2
110.10653	1.5
111.08111	2.2
117.07034	4.1
119.08575	14.6
121.10152	55.6
123.08057	1.8
123.11710	4.7
125.09647	1.7
129.07024	3.4
131.08565	4.1
133.10147	12.6
135.08064	2.9
135.11699	38.3
137.09627	2.6
138.88655	1.3
143.08630	3.3
145.10120	4.2
147.11691	12.2
149.09560	2.7
149.13223	12.5
159.11696	3.9
161.09700	1.9
161.13278	5.8
163.11259	2.4
163.14810	1.4
171.11708	4.0
173.13211	2.2
175.03923	1.7
175.11232	2.0
181.12181	3.2
185.13251	2.7
189.12711	2.4
191.03583	1.6
193.12354	1.6
199.14856	2.0
203.06970	1.9
207.13658	2.0
217.08612	5.9
217.15929	1.9
217.19487	1.8
227.17970	3.1
231.85406	1.8
245.08138	8.5
245.11874	1.4
245.19072	3.8
245.22580	1.8
260.41934	1.4
263.08994	2.7
263.17178	3.0
263.20105	67.5
263.22983	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	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.06711	1.3
53.03944	6.5
53.91847	1.3
55.01871	5.3
55.05272	2.2
55.05515	31.3
57.03425	2.9
57.07069	8.5
58.64593	1.2
58.83422	1.3
65.03930	3.4
67.05508	92.2
69.03431	2.9
69.07069	23.3
71.04987	5.6
71.08636	2.4
71.48949	1.7
79.05495	68.4
81.03435	2.8
81.07061	100.0
83.01374	1.5
83.04996	6.9
83.08620	20.7
85.06537	4.2
85.10240	1.4
91.05487	41.6
93.07051	87.1
95.04989	8.8
95.08614	80.3
97.02901	1.7
97.06535	9.0
97.10172	8.4
99.08081	4.5
105.04530	2.3
105.07034	31.3
107.04987	3.2
107.08599	52.1
109.06520	5.1
109.10161	44.8
110.73122	1.5
111.08088	7.2
113.09669	1.8
117.07038	2.3
119.08591	22.1
121.06460	3.1
121.10151	51.7
123.08099	7.3
123.11711	17.3
125.09692	2.6
127.07591	1.8
127.11234	1.2
129.07022	2.7
131.08563	5.1
133.10126	24.7
135.08040	2.1
135.11703	31.6
137.09608	4.3
137.13266	7.4
139.07515	3.0
139.11266	3.1
143.08597	3.2
145.10149	4.6
147.08070	3.0
147.11694	16.9
149.09698	2.0
149.13271	15.9
151.11177	3.7
151.14832	4.5
153.09114	2.6
157.10158	2.6
159.11717	4.3
161.09560	1.9
161.13269	11.9
163.14838	6.2
165.16425	4.0
169.82410	1.6
171.11656	2.6
173.13208	2.2
175.11284	1.5
175.14825	4.2
179.10800	1.7
185.13239	2.1
189.12733	2.2
191.14235	2.2
203.14345	1.5
203.17931	1.6
204.87071	1.6
207.11897	1.5
207.13843	4.1
217.08556	3.2
217.19461	2.9
221.15433	1.7
227.17979	1.9
235.20357	1.6
245.08112	6.8
245.19028	6.2
245.22690	17.1
263.09143	2.5
263.20105	77.2
263.23703	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03945	5.6
55.01880	2.0
55.05514	22.9
57.03434	2.6
57.07069	2.5
59.48706	1.1
65.03938	2.2
67.05508	34.6
69.01111	1.4
69.07079	15.3
69.53645	4.7
69.54050	3.2
71.04982	1.7
73.06574	1.3
76.39085	1.4
79.05497	82.8
80.05819	2.0
81.07059	37.4
83.04987	2.5
83.08607	8.3
85.06551	2.7
91.05486	32.9
93.07048	100.0
94.07356	2.1
95.04998	6.5
95.08611	33.8
97.06519	3.1
97.10178	3.5
98.20769	2.5
105.04530	3.2
105.07045	20.7
107.04994	3.8
107.08598	68.5
109.06502	4.2
109.10151	12.8
113.05939	1.5
117.07021	4.0
119.08581	12.6
121.10149	61.3
122.10478	1.5
123.08070	3.8
123.11701	3.8
125.09653	1.7
129.07018	2.1
131.08548	6.1
133.10138	13.1
135.08112	2.3
135.11700	36.2
135.12724	2.0
135.74632	1.2
137.09673	1.7
142.59399	1.2
143.08586	3.2
145.10153	4.6
147.04434	1.4
147.11723	8.7
149.09668	3.7
149.13239	11.5
157.10123	2.8
159.11711	4.0
161.09587	1.8
161.13275	5.4
163.11157	2.8
163.14827	2.2
171.11728	3.2
173.13295	3.1
175.14746	1.3
181.12291	2.2
185.13251	1.8
189.12823	1.9
199.14851	1.5
202.06245	1.7
203.06966	2.0
203.14282	2.4
207.13821	2.9
217.08630	5.7
221.15323	2.3
227.17937	3.2
245.08003	8.1
245.19070	5.4
245.21977	1.5
263.09171	4.4
263.17041	2.3
263.20102	63.3
263.23380	5.4
282.78180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03938	3.2
53.58416	1.3
55.05513	16.5
57.03439	2.0
57.07079	13.4
65.03939	1.9
67.05508	89.6
68.56763	1.1
69.07069	16.7
69.78699	7.0
69.79018	1.2
71.04996	1.5
71.08631	6.3
71.09585	1.1
79.05496	22.9
81.07060	100.0
83.04981	1.5
83.08628	13.4
85.06538	5.3
85.10166	2.3
87.66560	1.3
91.05485	18.3
93.06490	2.3
93.07054	27.2
95.04958	2.2
95.08610	87.1
97.06554	7.9
97.10184	6.3
99.08080	5.2
105.07038	11.8
107.08580	12.4
109.10160	47.6
111.08105	5.3
113.09646	2.5
119.08602	12.0
121.10150	18.7
123.08121	2.0
123.11718	18.2
133.10136	14.9
135.11671	7.6
137.09605	3.7
137.13290	7.7
137.14140	1.3
147.11676	9.3
149.13272	9.0
151.14828	8.3
161.13269	9.1
163.14787	6.5
165.16415	10.2
175.14832	7.4
177.16431	1.9
179.17966	2.3
181.15855	2.1
189.16461	3.3
210.54022	1.3
217.19579	1.8
245.20398	2.3
245.22687	34.1
263.23721	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.0
54.46214	1.4
55.05515	16.7
57.03434	1.6
57.07083	10.6
58.12968	1.4
60.66993	1.3
65.03935	3.5
67.05507	85.0
69.07071	17.8
71.04986	3.1
71.08642	7.5
71.33113	2.4
71.46778	1.5
71.59959	1.6
78.65538	1.7
79.05491	24.4
81.07059	100.0
83.08630	11.8
85.06536	4.2
85.10190	3.5
91.05487	17.2
93.07051	27.4
95.04968	2.0
95.08611	84.6
97.06541	8.0
97.10161	9.8
99.08077	6.6
105.07038	11.5
107.08615	11.5
109.10162	43.8
109.10806	1.1
111.08079	4.7
111.11698	1.4
112.98106	1.6
113.09634	2.7
119.08582	12.8
121.10151	13.1
123.08015	1.8
123.11713	22.3
127.11203	2.1
133.10159	15.3
135.11679	10.0
137.09618	3.1
137.13275	8.3
141.12672	2.3
147.11705	11.3
149.13264	8.6
151.14827	11.3
155.14314	1.6
161.13283	11.9
163.14925	9.0
165.16377	9.7
169.74579	1.4
175.14828	6.9
179.17981	3.6
189.16451	3.5
193.76688	1.8
203.17868	2.1
220.51955	1.5
245.22672	39.5
263.23712	81.3
265.42838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.69991	1.2
54.00004	1.1
55.01860	1.2
55.05517	15.3
57.03431	1.5
57.07077	11.2
57.18904	1.2
65.03954	2.3
67.05507	77.1
69.07067	16.1
69.33606	11.0
71.04987	2.5
71.08286	1.1
71.08628	5.4
74.67029	1.2
79.05496	22.6
81.07059	100.0
83.08633	15.0
85.06540	3.8
85.10182	2.8
91.05489	17.1
93.07045	23.7
95.08611	83.0
96.08927	1.6
96.18831	1.2
97.06529	10.0
97.10161	5.8
99.08092	6.4
105.07027	9.5
107.08582	14.4
109.06509	1.8
109.10164	43.4
111.08076	5.5
111.11765	1.3
113.09690	2.6
119.08574	9.8
121.10147	14.9
123.08061	2.5
123.11729	18.2
133.10136	14.4
135.11703	8.8
137.09650	1.6
137.13260	5.2
138.29131	1.3
138.51820	1.4
139.91025	1.2
141.12744	3.3
147.11714	10.9
149.13284	8.1
151.14821	7.7
155.14296	2.0
161.13261	8.4
163.14784	7.5
165.12862	1.3
165.16388	9.2
175.14821	5.1
177.16493	1.2
179.17970	4.0
183.03941	1.4
189.16389	3.5
245.22664	29.1
257.74875	1.2
263.23709	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.31089	1.3
53.03937	1.8
55.05273	1.5
55.05510	18.7
57.03407	1.3
57.07072	13.8
57.32711	1.1
57.70227	1.4
65.03933	2.3
67.05503	91.9
69.07062	20.2
69.16084	5.6
69.16506	7.6
71.04984	1.7
71.08638	7.3
79.05489	22.5
81.07055	100.0
83.04995	1.3
83.08622	13.3
85.06541	3.7
85.10157	3.4
86.42957	1.3
91.04980	1.7
91.05490	15.8
93.07043	22.8
95.04964	1.7
95.08607	91.8
97.06526	7.5
97.10155	7.3
99.08086	5.8
105.07020	13.3
107.08591	17.1
109.06493	2.0
109.10156	49.7
111.08054	3.7
111.11729	1.9
113.09637	3.6
119.07930	1.3
119.08601	12.9
121.10152	17.0
121.67800	1.2
123.08053	2.7
123.11698	21.2
133.10121	16.4
135.11688	11.4
137.09538	1.5
137.13246	7.6
137.50018	1.5
140.27469	1.4
141.12740	1.5
147.11719	9.7
149.13263	8.3
151.11134	2.5
151.14857	8.5
155.14255	1.9
161.13278	11.8
163.14810	8.2
165.16383	10.6
174.82375	1.5
175.14806	7.8
177.16510	2.7
179.17935	4.8
189.16342	3.2
245.22647	31.3
245.25020	2.4
251.53531	1.2
263.23694	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.92222	0.8
53.03925	1.5
55.05509	17.9
57.03428	2.3
57.07076	10.8
65.03920	2.5
67.05502	87.3
69.03391	0.8
69.07066	18.9
69.83842	3.4
70.15616	0.8
71.04985	1.7
71.08622	7.0
77.03946	0.9
79.05490	25.3
81.07052	100.0
82.07374	0.9
83.04964	2.7
83.08168	0.9
83.08618	14.2
85.06518	2.9
85.10156	3.2
89.33753	0.9
91.05475	20.0
93.06496	1.6
93.07043	25.6
95.04959	2.1
95.08604	88.2
95.93279	0.8
97.06530	9.4
97.10178	7.0
99.08103	5.3
105.04505	0.9
105.07013	13.7
106.31670	0.8
107.08595	15.0
109.06528	4.5
109.10151	46.7
111.08083	6.2
111.11720	1.5
113.09666	2.0
115.58491	0.8
119.08579	15.4
121.10140	17.2
123.08017	2.8
123.11703	19.3
126.89365	0.9
127.11176	3.0
133.10123	13.9
135.11676	8.2
137.09613	2.1
137.13229	8.8
141.12730	2.0
145.10037	1.1
147.11714	9.8
149.13249	10.7
151.11133	1.4
151.14812	7.1
155.14317	1.1
157.10089	0.8
161.13268	13.1
163.14807	8.6
165.16388	9.2
167.14299	1.0
171.11656	0.9
175.14815	7.9
177.16312	1.7
179.14227	1.2
179.17924	4.1
181.15825	1.7
189.16371	4.1
191.17955	1.1
203.17921	1.4
207.11737	1.0
207.17349	1.2
217.08527	1.1
217.19568	1.3
219.21107	1.1
221.13225	1.1
234.38350	0.8
245.08035	1.4
245.22658	36.7
248.15439	1.1
263.09143	1.5
263.17749	3.6
263.20184	9.6
263.23682	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.67193	2.2
55.05512	18.1
57.07069	11.5
61.79822	2.0
65.03933	2.5
66.49755	2.0
67.05506	38.5
69.07072	26.1
71.05003	5.0
71.08630	2.5
71.48893	2.5
75.00606	2.1
79.05488	19.4
81.06594	4.8
81.07063	81.5
83.08622	14.6
85.06544	4.0
91.05476	10.8
93.07045	32.0
95.08611	100.0
97.10182	12.2
99.08127	3.5
105.07039	18.3
107.08605	39.5
109.10160	60.3
111.08128	2.6
111.11741	3.0
113.09657	7.0
119.08574	22.0
121.10148	30.5
123.11716	28.0
133.10136	19.9
135.11705	19.6
137.09543	2.5
137.13263	24.8
147.11720	17.6
149.13268	28.2
151.11206	2.6
151.14832	3.9
153.12804	2.8
161.13258	11.2
163.14822	15.7
175.14865	15.7
177.16364	4.1
189.16400	22.7
202.06299	2.3
203.17926	6.1
205.19522	10.8
217.08580	4.4
233.13063	2.7
245.08064	5.9
245.22694	50.5
263.09308	5.0
263.17972	6.6
263.23694	40.3
264.24197	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	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92342	0.8
55.05523	0.8
55.85506	0.7
56.96569	100.0
57.03437	1.2
67.98196	1.4
69.03436	1.3
70.06587	2.1
70.71149	2.0
70.71487	0.8
71.95267	2.6
72.08147	1.3
72.96054	5.1
74.06090	1.4
83.97640	3.5
84.04495	1.5
84.08147	2.3
84.96021	1.5
85.02920	1.4
85.08531	0.7
86.09694	1.1
91.05498	0.8
97.02911	1.8
98.97588	22.4
102.05547	0.8
107.04974	5.4
110.07175	1.0
110.97588	2.6
112.07609	1.6
116.98625	6.5
120.08147	1.7
122.07161	1.0
123.04434	1.7
128.98592	2.3
134.99626	1.4
144.96869	1.7
147.03407	0.9
147.04379	4.4
149.99959	0.8
151.00626	1.0
158.08151	3.3
158.99695	2.0
162.04184	1.0
162.05441	1.6
163.00732	1.5
163.04453	1.3
165.02267	4.1
167.00171	0.9
169.01860	1.2
176.03838	15.1
177.00766	1.5
177.02260	1.1
178.05396	11.5
179.00165	1.3
181.01758	1.4
183.03275	7.2
186.02292	1.6
190.01796	2.6
191.05823	0.8
192.03316	3.7
194.04881	5.6
195.49159	0.8
196.06534	4.1
197.01248	1.0
201.04378	3.9
202.10762	0.9
204.03305	12.5
208.02840	8.9
210.04436	1.8
219.01755	1.8
222.04390	82.7
223.04872	1.0
226.03865	4.2
233.90833	0.9
240.05443	52.0
245.05969	0.9
264.05450	17.7
275.62769	0.8
287.05557	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
50.65176	0.4
55.05392	1.2
55.05687	0.8
55.58085	0.4
57.03350	0.5
57.06984	0.6
67.05372	1.5
69.06935	2.4
69.07342	0.7
71.08509	0.5
79.05373	0.8
80.27906	0.4
81.03320	0.5
81.06913	3.6
81.07430	0.8
82.62785	0.4
83.08474	1.3
91.05341	1.2
93.06896	2.1
95.04858	0.7
95.08465	4.5
97.10063	0.7
98.20651	0.8
102.43565	0.4
105.06918	1.0
107.04842	1.0
107.08452	1.5
109.10129	2.3
111.11610	0.5
115.05373	1.0
116.20445	0.4
117.06875	1.2
119.08462	0.6
121.02804	0.7
121.06365	1.8
121.10012	1.8
122.06985	1.7
123.11552	1.8
128.06058	1.1
131.08458	0.8
135.11562	1.4
137.05905	0.6
137.13116	1.1
141.06839	1.2
143.04752	0.5
143.08443	0.6
145.06418	1.1
145.09978	0.7
146.07191	0.8
147.07957	1.1
149.05881	0.5
149.13191	1.0
151.07425	0.6
155.04782	0.5
156.05582	1.6
157.06461	0.8
158.07277	3.0
159.07944	1.7
160.08731	1.4
161.05847	0.9
161.09592	0.5
163.07428	0.6
163.14735	0.7
165.06949	0.6
169.06436	0.8
170.07269	2.4
171.04291	1.1
171.08046	4.4
173.05898	1.8
173.09532	0.7
175.07454	1.4
176.08325	1.9
177.09116	19.8
177.16353	0.9
178.06181	0.9
183.04384	0.8
185.05983	0.5
186.05147	0.5
186.06747	8.5
187.07506	2.7
187.14806	0.4
188.08330	3.0
189.08981	0.6
191.08899	0.6
191.10672	8.5
191.17838	0.7
194.07182	0.9
198.06779	4.6
199.03909	0.5
201.09113	48.5
202.09396	0.6
203.10628	0.8
204.07813	0.8
205.08617	11.6
209.09578	0.7
214.06252	5.0
215.06894	0.4
216.07813	0.5
217.08505	0.6
219.08148	1.0
219.10172	14.3
229.08607	21.9
232.07280	0.6
237.09129	0.6
247.09669	100.0
247.24226	1.6
248.10005	1.4
265.08530	1.9
265.10776	20.9
265.15768	1.4
265.22067	0.6
265.25232	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	11.6
55.05515	21.2
56.96567	7.9
57.03438	7.4
58.91082	4.1
65.03933	12.0
67.05503	30.3
69.03432	35.1
69.07072	7.1
70.06593	10.4
71.04987	11.2
71.28574	7.6
72.08154	6.6
72.59909	4.3
74.06082	5.3
79.05488	17.9
81.03431	4.7
81.04531	16.5
81.07052	23.4
83.04964	7.3
84.08150	8.0
85.06554	5.5
86.09698	15.7
91.05483	56.1
93.07051	37.9
95.04977	42.9
95.08599	20.5
97.02892	8.3
97.06550	11.1
98.97585	5.3
99.04454	7.7
103.20863	4.3
105.07043	71.2
107.04939	15.6
107.08593	21.0
109.02937	4.8
109.06522	33.8
109.10174	8.0
111.04465	36.4
111.08063	12.7
113.06004	17.5
115.05489	8.8
117.07040	21.8
119.04942	13.4
119.08583	100.0
121.02885	23.9
121.06518	53.7
121.10145	15.4
122.07155	98.0
123.08070	37.0
128.06223	10.7
129.07010	21.8
130.07782	4.9
131.08582	43.1
132.05881	4.0
133.06497	12.2
133.10126	19.5
135.04454	4.8
135.08055	89.8
137.09599	16.9
139.03883	13.2
139.07550	12.1
141.06995	10.0
142.07768	13.5
143.08595	18.3
144.04779	29.7
144.09348	9.6
145.06470	23.0
145.10150	36.7
146.07275	4.9
147.04453	10.5
147.08069	41.7
147.11685	16.7
149.05986	8.4
149.09604	19.6
151.07524	7.4
154.07726	6.9
155.08553	7.0
156.09352	12.7
157.06485	10.2
157.10155	22.1
158.07275	24.1
158.10950	7.1
159.08066	40.1
159.11691	52.4
160.08824	8.6
161.09602	37.8
165.09157	26.4
167.08643	4.8
168.09309	5.2
169.10147	7.3
171.08081	7.0
171.11752	8.7
172.08905	22.7
172.10167	4.5
173.05975	5.2
173.09657	26.8
173.13220	21.2
175.07564	81.1
175.11137	38.5
179.07083	5.1
181.10182	5.6
183.11713	12.5
185.09641	7.2
186.10416	8.4
187.11197	43.8
189.09151	8.6
189.12732	16.1
193.08609	24.2
193.10143	7.7
196.08878	9.5
199.11156	16.0
201.12782	38.5
203.10701	47.3
205.12259	8.8
211.11162	28.5
217.12296	27.2
219.13780	9.9
229.12216	38.4
235.13165	7.9
247.10840	9.7
247.13239	48.7
265.11646	7.3
265.14453	53.0
265.18240	4.3
287.05426	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	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
52.54673	0.3
53.02757	0.3
53.03945	0.4
55.05514	11.6
56.05038	0.6
57.05818	1.0
60.82446	0.2
69.49680	0.4
69.50092	1.2
72.08157	100.0
72.24725	0.3
73.08496	0.3
86.09708	0.3
88.85332	0.3
103.05511	0.5
120.08110	14.4
122.07169	0.8
129.26181	0.2
131.04971	0.3
149.05997	0.4
166.08647	10.7
219.14952	0.5
261.05618	0.3
265.15512	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	265.1547
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
50.22001	0.2
50.41805	0.2
51.48215	0.2
55.05514	0.4
56.05021	0.2
58.96458	0.2
61.99521	0.2
67.05500	0.2
70.06586	0.5
70.92715	0.3
70.93051	0.3
72.08159	5.1
73.07838	0.2
77.03914	0.2
79.05486	0.4
83.97769	0.2
84.08150	0.4
86.09724	0.4
87.47871	0.2
91.05482	0.8
93.07046	1.9
95.04973	0.5
103.05475	4.9
105.07045	0.5
107.05002	0.2
117.07019	0.3
118.08653	1.6
119.08599	0.4
120.08112	100.0
121.08444	0.5
122.07160	1.4
131.08592	0.3
135.08044	0.4
161.09689	0.2
175.07657	0.5
212.66377	0.2
219.14932	1.9
229.13351	0.3
247.14455	0.5
265.15488	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	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03946	2.5
55.05513	55.0
57.03433	3.3
57.07082	24.1
67.05507	52.6
69.03442	1.5
69.07070	74.5
69.83466	8.8
70.96012	1.5
71.05003	2.9
71.08639	11.9
79.05497	28.2
81.07058	67.1
83.04995	2.5
83.08624	50.5
85.06541	4.6
85.10172	7.0
91.05473	4.5
93.07047	36.8
95.08611	68.9
97.06534	18.8
97.09553	2.8
97.10168	41.4
98.98605	1.5
99.08112	2.3
107.08593	24.9
109.10155	27.2
111.08107	14.0
111.11732	13.5
112.98324	1.5
121.10151	53.2
123.11713	11.5
125.09602	2.7
125.13276	2.1
126.63316	1.6
135.10704	2.7
135.11699	41.5
137.13239	4.5
139.11133	2.8
141.12796	2.1
149.13261	16.9
151.14813	5.6
153.12711	2.7
163.14859	8.1
165.16428	5.8
177.16402	3.2
191.17926	1.5
215.69202	1.4
247.24231	44.1
265.25278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05512	62.1
57.03436	3.5
57.07075	31.4
66.70997	2.2
67.05505	64.2
69.07069	88.7
69.23885	18.4
71.04988	3.5
71.08633	16.3
75.16270	2.0
75.28061	2.4
79.05493	37.0
81.06599	3.7
81.07059	72.8
81.07533	3.9
83.08623	70.0
83.50540	1.9
84.44290	1.8
85.06532	4.9
85.10184	5.5
91.05474	6.6
93.07050	42.8
95.08607	75.9
95.57589	1.9
97.06528	25.9
97.10167	38.5
99.08071	3.7
105.07030	2.1
107.08598	25.5
109.10157	36.7
111.08084	14.8
111.11720	15.7
121.10149	64.3
123.11703	13.1
125.09569	4.5
125.13278	2.6
135.11694	49.0
137.13264	4.7
139.11201	3.1
149.13249	22.1
151.14825	8.3
163.14830	6.5
165.16356	8.0
177.16406	3.4
191.17982	3.8
247.24216	50.5
265.22360	4.9
265.25269	100.0
287.41837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.00295	1.4
53.03954	2.1
55.05515	61.0
57.03423	4.6
57.06805	1.7
57.07078	32.1
63.47846	1.8
65.03912	2.6
67.05506	62.5
69.03404	2.0
69.07069	88.6
69.92857	7.3
71.04973	3.8
71.08642	15.5
77.61178	1.5
79.05496	35.4
81.07060	67.2
83.04968	2.6
83.08622	65.3
85.06526	5.6
85.10173	8.0
88.07591	1.6
91.05472	4.5
92.65154	1.4
93.06489	2.5
93.07047	37.9
93.07628	2.2
95.08611	77.4
97.06526	18.9
97.10180	41.1
97.99084	1.5
98.20830	2.4
99.08106	3.1
107.08594	26.7
109.10157	36.5
111.08089	14.6
111.11708	14.4
113.04153	1.7
113.09705	2.9
119.08604	2.3
121.10153	60.3
123.11710	12.8
125.09619	4.4
125.13274	3.2
132.10175	6.1
135.11700	43.8
137.13248	6.3
139.11189	4.2
144.08330	1.5
146.31961	1.6
149.13289	18.8
151.14880	8.4
153.12785	1.8
161.84605	1.5
163.14816	9.1
165.16396	7.2
169.15959	2.0
177.16345	3.5
191.17969	2.4
195.92827	1.6
247.24248	45.5
256.26382	6.9
258.81616	1.5
265.25278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03918	3.3
55.05280	3.8
55.05516	57.8
57.03428	2.7
57.07079	26.5
58.87799	3.1
67.05505	57.6
69.07069	85.1
70.35513	4.7
70.35890	8.6
71.04964	5.1
71.08617	12.1
79.05490	31.2
81.07056	69.7
83.08157	4.3
83.08618	68.7
85.06542	9.1
85.10184	5.4
91.05515	5.1
93.07049	39.0
95.08611	67.2
97.06532	24.3
97.10172	40.8
99.08105	4.3
99.98714	2.5
105.07034	5.1
107.08594	29.2
109.10162	27.3
111.08070	15.5
111.11700	13.7
117.79936	2.6
121.10146	58.9
123.11682	13.9
125.09647	4.0
125.13232	3.5
135.11691	44.8
137.13261	8.2
139.11212	3.5
149.13281	20.9
151.14771	5.6
163.14804	6.4
165.16428	5.4
177.16451	4.1
191.18036	3.8
219.09464	3.1
241.98759	4.6
247.24187	42.6
251.97141	2.8
265.08737	3.3
265.15692	2.7
265.19519	3.9
265.25269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25042	0.1
54.94547	0.1
55.53333	0.1
58.04172	0.1
58.06723	0.1
71.46932	0.1
82.99827	0.8
98.97610	0.2
101.00883	6.3
103.81594	0.1
113.23501	0.1
116.98813	0.4
119.01922	9.6
120.02008	0.1
121.01660	0.1
122.97800	0.2
130.29904	0.1
134.71021	0.1
134.99942	0.7
137.02963	1.2
140.98827	1.5
153.00960	0.3
155.01917	0.1
157.02020	0.1
158.99890	4.4
160.00008	0.1
164.00438	0.2
164.98807	0.2
165.99619	0.2
171.50061	0.1
173.02916	0.1
175.03079	0.5
177.00955	19.5
178.01085	0.5
179.01402	0.1
182.99834	1.3
183.01341	0.1
193.04126	0.1
195.01988	0.2
199.03027	0.3
200.02672	0.1
201.00923	3.9
201.02467	0.3
202.01163	0.2
206.01555	0.1
209.98618	0.1
217.04086	3.2
219.02008	24.5
219.94521	0.5
220.02179	0.7
221.02237	0.1
225.00867	2.3
234.00710	0.4
237.03027	0.1
241.95862	0.1
242.03633	0.2
242.96201	0.5
243.01993	14.0
244.02234	0.3
260.04807	0.1
261.03061	100.0
262.03226	2.4
263.03406	0.4
266.00323	0.2
266.03506	0.7
266.06079	0.1
275.04645	0.2
284.04697	1.7
285.04944	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	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
65.84073	1.1
67.05500	1.9
69.48615	8.8
72.08146	1.6
79.05473	3.9
81.07053	11.8
83.04979	3.0
83.08598	1.8
84.04491	1.3
84.08118	1.4
85.06553	2.2
87.00318	2.8
87.00836	47.6
94.06582	6.3
98.20856	2.4
99.08067	3.9
105.01205	1.9
105.01869	29.6
109.06531	7.2
110.06061	1.9
117.09132	2.2
120.08072	1.6
122.06062	9.4
123.06819	20.2
124.07629	1.3
127.07535	12.8
134.06035	1.7
138.04469	1.7
138.05510	31.6
145.08572	2.8
150.05496	30.1
151.06299	15.7
152.07042	3.7
160.07669	1.9
168.06567	100.0
169.07292	3.8
178.06119	1.3
180.06531	1.3
202.12245	1.6
203.09068	2.2
220.13348	4.8
231.08635	36.0
248.12862	6.7
266.11066	2.6
266.13901	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	267.1016
Annotation	7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Peak:m/z	Relative Intensity
53.03939	1.6
55.05514	2.3
56.58519	1.0
62.63446	1.1
62.72246	1.0
69.03442	5.1
69.07050	1.0
71.05014	1.8
71.48453	1.3
73.29273	1.0
75.03273	1.3
79.05481	1.7
81.03436	2.2
81.07050	2.9
82.06595	1.3
85.02895	3.4
91.05493	1.9
95.04980	6.9
95.08620	1.9
99.04496	1.2
100.11268	1.6
105.07039	2.2
107.04958	6.3
108.08153	1.1
109.10083	1.6
119.08625	1.4
123.04440	12.7
136.06148	1.4
141.07013	1.8
153.07040	1.7
165.07018	9.3
166.07806	8.1
177.52592	1.1
178.07776	7.3
179.08559	9.6
181.06474	8.0
181.10115	5.1
183.08072	1.1
185.16428	1.3
189.07002	2.0
190.07751	4.5
191.08559	10.4
193.10098	1.7
194.07260	14.4
195.08046	3.3
196.08842	3.4
206.07237	3.1
207.08073	19.3
208.08855	5.0
209.09619	24.6
211.11217	2.1
211.14922	1.4
221.06277	1.2
221.09628	3.6
223.07634	3.1
224.08318	11.2
224.16576	5.1
227.10730	1.2
234.06854	2.6
235.07570	21.5
236.08368	9.4
237.09137	3.9
239.10680	29.2
241.90781	1.2
249.09245	3.7
251.07103	3.6
252.07848	9.9
267.10187	100.0
267.20898	6.7
268.10562	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1339
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05038	17.2
57.03436	4.2
58.06598	3.6
59.52523	0.5
62.55803	0.6
70.06612	0.6
71.08903	1.0
74.06080	100.0
79.05492	0.7
84.04508	4.1
84.08158	0.7
85.02912	0.7
89.17587	0.5
90.78651	0.5
91.05487	2.1
93.07024	0.7
95.74973	0.6
101.07162	1.3
103.05467	2.7
103.39213	0.5
107.04962	2.2
118.84029	0.5
120.08105	59.5
122.07201	0.5
129.92953	0.5
131.04968	1.2
132.08119	1.1
136.06189	11.2
149.06030	0.9
154.01187	0.5
158.09691	1.5
166.08640	42.5
168.51534	0.6
176.10751	1.2
184.62746	0.5
203.11864	1.2
205.09683	0.7
221.12862	6.5
249.12389	3.9
267.13400	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	267.1592
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03944	9.2
55.01874	7.3
55.05514	26.6
57.03437	38.9
59.61580	1.5
65.03928	4.7
67.05508	77.5
69.03418	4.6
69.07071	17.2
69.96130	7.0
71.04982	4.9
73.06549	1.5
77.03931	2.2
79.05496	70.1
81.03419	33.1
81.07059	61.1
83.04984	49.9
83.08622	7.7
84.17798	1.3
85.06521	3.2
91.05486	100.0
93.06494	2.5
93.07050	43.4
95.04976	26.2
95.08066	1.9
95.08613	21.2
97.02877	2.7
97.06531	7.6
97.21445	1.5
99.08089	3.7
103.05470	1.7
105.04555	2.6
105.07034	54.1
107.04957	21.4
107.08587	8.5
108.52947	1.3
109.06529	9.5
109.10138	4.0
111.08066	3.1
115.05444	3.5
117.07038	3.7
119.08591	29.9
121.06500	1.6
121.10119	5.8
123.04401	2.7
127.07538	3.9
129.07007	17.6
131.08582	17.5
133.06595	3.0
133.10139	40.7
136.06189	2.8
142.07776	5.2
145.10141	6.0
147.08014	5.1
147.11690	26.4
149.09593	4.2
157.10127	24.9
163.11230	4.4
165.12718	2.4
175.11232	13.8
193.12250	9.2
206.46761	1.4
207.08037	1.8
235.07422	1.9
249.14993	1.6
249.68887	1.6
267.10068	3.4
267.15894	31.1
267.20660	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Grangolide
Peak:m/z	Relative Intensity
51.02375	0.9
53.03947	4.5
55.01876	4.3
55.05514	12.6
57.03438	25.7
65.03927	1.4
67.05507	24.2
69.03421	3.8
69.07066	6.7
69.75850	1.4
69.76272	2.6
71.04986	3.0
78.12035	0.7
79.05494	26.1
81.03419	100.0
81.07051	24.9
83.04985	13.9
83.08623	14.5
85.02926	1.1
85.06536	1.3
91.05485	33.2
93.07044	16.5
95.04970	24.8
95.08603	10.7
97.02895	3.3
97.06528	3.7
97.10167	3.0
98.21458	1.5
99.04456	1.6
99.08098	2.3
103.05495	1.2
105.03393	0.8
105.04516	1.3
105.07033	24.3
106.06548	2.1
107.04953	11.2
107.08600	6.3
109.06533	6.0
109.10162	4.0
111.04453	1.9
111.08074	7.2
115.05453	2.7
117.07023	3.1
118.06512	0.8
119.04964	1.3
119.08587	19.6
120.08105	1.6
121.06480	3.7
121.10133	8.0
123.04459	1.7
123.08054	2.8
123.11691	2.0
124.04037	1.2
125.05983	1.0
125.09687	1.0
128.06216	1.0
129.06999	9.6
129.91080	0.8
131.04939	0.9
131.08562	11.5
133.06517	3.0
133.10126	10.4
134.05957	0.9
135.04437	2.1
135.11705	1.4
136.06140	3.7
137.09621	1.7
142.07785	3.2
143.08548	1.6
145.06389	0.8
145.10109	2.5
147.08063	3.4
147.11681	12.4
149.09605	3.5
157.10138	13.3
157.66830	0.8
159.11652	1.4
161.05968	1.9
163.07423	0.7
163.11182	1.1
165.07018	0.9
165.12746	2.9
169.10219	1.5
171.11729	1.3
175.11200	10.8
183.11703	1.3
189.09221	1.0
193.08565	1.8
193.10416	1.6
193.12233	20.5
193.13893	1.6
197.13272	1.6
203.10782	0.9
207.08115	2.4
207.10123	1.2
211.13298	2.1
211.14967	1.1
235.07585	1.6
239.10616	1.0
249.14919	3.0
252.07886	1.3
267.06488	1.0
267.10168	5.6
267.15930	47.7
267.21063	5.1
268.16214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05518	5.5
58.06606	4.5
67.05505	3.3
68.05042	1.1
69.03435	1.0
69.07075	2.4
69.59003	3.4
79.05503	3.1
79.93235	0.6
80.05018	5.5
81.03432	1.7
81.07057	4.6
82.06583	18.7
83.04969	1.0
83.08627	1.6
91.05478	2.0
93.07053	2.9
94.06566	4.3
95.04982	1.5
95.07351	1.9
95.08615	5.4
96.08144	3.2
97.06561	0.9
97.08913	1.1
97.10199	1.4
105.07054	1.9
106.06576	0.8
107.04977	3.8
107.08582	1.0
108.08126	13.2
109.02890	0.6
109.06549	0.6
109.10168	1.3
110.09686	1.8
111.08075	0.7
119.08598	2.0
120.08110	10.7
121.06533	0.7
121.10174	1.1
122.09637	1.4
123.04442	1.4
131.08574	1.1
133.10167	1.2
134.09711	0.6
134.60474	0.6
135.11688	0.8
136.06181	2.1
147.11681	0.8
157.10132	1.3
165.06958	1.3
166.07784	1.9
167.08508	0.7
168.05630	0.7
169.10132	1.1
171.11688	1.1
178.07741	3.8
179.08565	5.9
181.06412	3.6
181.10143	1.0
183.11761	0.7
189.07019	1.7
190.07799	0.9
191.08545	3.6
192.13869	1.2
193.10175	0.9
194.07260	6.8
195.08035	1.0
196.08829	1.7
204.13745	1.0
205.06537	1.7
206.07256	2.1
206.15422	2.4
207.08055	9.9
207.09860	0.9
208.08815	2.2
209.06114	0.7
209.09605	6.0
210.15021	1.2
211.11180	1.5
211.14760	1.0
217.06528	1.1
218.07298	1.1
219.07944	0.8
221.09589	1.8
223.07643	2.9
224.08345	6.2
224.16469	100.0
225.16707	1.3
232.16977	5.5
234.06718	2.5
235.07567	9.0
236.08328	7.6
237.05386	0.9
239.10651	16.2
249.09129	2.3
249.19626	3.9
250.15636	1.1
250.18045	12.8
251.07050	1.5
252.07846	5.8
265.08661	0.7
267.10168	62.5
267.20694	69.7
268.10620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.3
57.03437	0.5
69.03418	0.4
71.01338	0.2
71.47796	0.2
73.02914	0.3
78.61340	0.1
85.02898	0.4
94.04039	0.4
97.02924	0.3
115.03918	0.2
119.03542	1.0
133.04959	0.2
136.06189	100.0
137.04578	0.5
137.06638	0.2
268.10410	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.53736	0.1
50.79142	0.1
52.59621	0.1
54.30727	0.1
55.01866	0.3
57.03432	0.5
69.03425	0.3
70.00566	0.1
70.78429	0.2
70.78755	0.2
71.64780	0.1
72.67290	0.1
73.02889	0.3
75.77470	0.1
76.30049	0.1
76.52441	0.1
85.02905	0.4
94.04066	0.6
97.02927	0.1
116.85203	0.1
119.03555	1.5
133.04990	0.1
136.06192	100.0
137.04573	0.3
137.06573	0.2
175.25565	0.1
189.27637	0.1
268.10419	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	269.0805
Annotation	Anemarcoumarin A
Peak:m/z	Relative Intensity
52.62233	1.1
53.03939	1.8
55.01866	2.6
55.05503	2.2
57.03430	1.4
65.03910	1.0
67.05493	4.0
69.03436	11.1
69.07053	2.6
69.22375	10.3
71.04981	1.2
79.05472	4.3
81.03393	3.8
81.07072	6.4
83.04972	1.2
83.08609	1.4
84.04503	1.2
91.05499	11.1
93.07042	6.8
95.04950	2.9
95.08606	2.9
98.96525	1.1
100.63499	1.1
103.03952	1.4
103.05489	2.7
105.06999	3.7
107.04958	99.0
107.08594	2.5
109.06489	1.2
109.10142	2.3
110.07146	3.6
115.05448	1.8
117.07016	1.7
119.04967	8.1
119.08588	2.0
121.02872	3.4
121.06507	5.3
121.10100	1.9
123.04422	9.6
128.06175	2.9
129.07019	2.8
131.04927	20.0
131.08560	1.1
133.06451	4.3
133.07361	1.3
133.10135	1.6
135.04431	24.1
136.06143	2.7
137.02330	2.5
137.05795	2.2
137.06636	1.4
141.07028	2.4
144.05688	4.4
145.06422	3.0
145.10123	1.6
147.04399	26.6
147.08011	1.6
149.05981	11.4
149.13217	1.6
151.03920	5.3
152.06189	3.5
153.06982	2.4
157.06479	6.2
157.10075	1.5
159.04430	1.2
159.11687	1.4
165.05452	3.2
165.06978	3.3
167.08594	5.0
169.06418	2.0
171.08107	1.5
171.11627	1.5
173.05974	3.9
175.03925	10.5
177.05513	1.8
177.06966	7.0
181.06465	9.9
185.05956	3.0
185.09509	1.3
187.07489	4.0
193.04935	3.3
194.07283	2.1
195.08041	23.0
197.05956	2.4
197.09521	1.4
198.06668	1.4
199.07523	8.1
199.14825	1.3
203.00359	1.0
203.06989	2.1
205.06490	7.6
209.06070	7.1
213.16385	1.1
215.06949	4.5
223.05499	2.1
223.07555	31.2
225.09129	5.5
226.06242	12.0
227.07040	11.0
233.05960	3.4
233.07919	2.1
234.06650	1.8
241.08548	11.3
250.06325	1.7
251.07028	23.8
251.09514	2.0
252.07770	1.3
269.08038	100.0
269.22482	4.5
270.08313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	Dalbergin
Peak:m/z	Relative Intensity
55.01636	0.8
55.01876	12.2
55.05504	1.9
57.03435	3.8
65.03957	0.7
67.05509	7.9
69.07062	2.1
69.31044	1.8
69.31470	3.4
76.44957	0.6
79.05499	4.1
81.07059	10.0
83.04965	1.1
83.08605	1.7
91.05467	2.8
93.07035	6.7
95.04923	0.7
95.08588	1.8
97.06509	1.7
105.06994	1.1
107.08581	2.8
109.10181	0.7
111.08095	0.7
117.07024	1.3
121.10117	1.3
131.08539	1.1
133.10120	1.0
135.11682	1.5
140.06314	0.7
141.06978	0.9
142.07698	0.9
149.13223	3.5
152.06184	1.9
153.06981	4.6
155.04910	1.0
155.08553	1.5
159.11725	1.6
165.06985	3.1
167.08516	0.9
168.05721	15.0
169.06491	3.2
170.07281	2.7
177.12997	0.7
180.05733	0.9
181.06496	5.9
182.07260	2.7
183.04425	2.6
183.08092	2.3
185.05956	1.3
185.09560	0.8
186.06737	1.0
195.08012	2.9
195.13799	1.1
196.05193	7.1
197.05977	1.7
198.06752	17.1
199.07466	0.8
208.05222	1.7
209.05913	3.7
210.06801	3.7
211.07571	9.0
213.09097	3.6
223.07487	4.1
225.05486	1.2
226.06252	15.0
235.15727	0.6
241.08601	59.4
242.08960	1.3
261.18802	0.7
269.08096	100.0
269.17429	5.9
270.08557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	Dalbergin
Peak:m/z	Relative Intensity
51.57886	0.5
53.03947	0.7
55.01860	0.8
55.05495	2.0
57.03441	4.2
57.55282	0.6
63.77542	0.5
64.93552	0.6
67.05507	8.2
68.99789	0.7
69.03437	0.7
69.07049	2.4
70.51419	1.3
71.04993	1.0
79.05159	0.5
79.05502	5.6
81.07066	8.3
83.04992	1.4
83.08607	1.5
85.06527	1.0
91.05455	3.1
93.07058	6.4
95.04959	0.6
95.08608	2.7
97.06518	1.7
105.07046	0.9
107.04933	0.9
107.08585	3.7
109.10126	0.5
111.08154	0.6
117.06991	1.3
119.08500	0.6
121.10138	1.6
131.08569	1.3
132.28363	0.5
133.10114	1.3
135.11679	1.0
149.06100	0.6
149.13280	4.2
152.06276	1.0
153.07071	0.7
154.07735	0.6
157.06488	0.7
158.07314	0.9
159.11702	2.2
170.07249	0.9
177.12714	0.8
181.06502	1.2
182.07336	0.6
183.04436	6.6
185.05981	28.8
185.09497	0.9
195.13831	1.8
197.06023	0.7
198.06790	5.1
209.06009	1.1
210.06700	0.7
210.63937	0.5
211.03853	3.8
211.07484	0.8
226.06256	100.0
227.06619	0.8
241.08603	99.5
242.08937	1.2
254.05748	0.8
269.08099	77.9
269.17438	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	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01872	5.1
55.05507	1.6
57.03421	5.3
61.02912	2.8
65.03958	1.4
66.96471	1.5
67.05501	11.0
69.03434	55.2
69.07058	6.6
70.50492	3.4
70.50835	2.1
71.05004	2.3
73.02914	2.7
77.03912	2.1
79.05514	8.4
81.03082	1.2
81.03430	13.7
81.07059	14.5
83.08597	1.7
85.02909	2.4
85.06540	2.0
85.13982	1.5
91.05486	40.0
93.07054	24.2
95.04984	2.4
95.08604	6.0
97.06532	3.0
99.04455	9.9
103.03937	4.6
103.05449	2.9
105.03391	2.6
105.07024	6.3
107.04950	5.9
107.08592	7.4
109.10154	2.3
111.08043	1.5
115.05416	7.1
116.06198	2.0
117.07014	4.8
119.04946	14.9
119.08564	3.7
121.06521	19.2
121.10171	3.7
128.06209	6.5
129.07016	7.2
131.04898	5.2
131.08568	6.8
133.02855	6.0
133.06499	14.6
133.10086	2.2
135.04422	100.0
135.11700	2.6
136.04707	1.8
137.05946	7.9
141.06995	6.6
144.05722	23.0
145.06505	12.1
145.60362	1.5
147.04408	81.2
147.08075	3.3
149.05986	57.0
149.13257	7.5
151.03905	21.4
155.81551	1.7
157.06500	12.5
158.07231	2.3
159.08052	9.6
159.11705	5.4
161.05978	5.0
165.05499	17.0
169.06436	4.9
169.07710	1.6
173.05984	20.6
175.07481	2.2
185.05991	22.7
187.07547	13.1
193.41714	1.5
195.13860	1.9
197.06149	1.9
203.07033	12.5
215.07048	20.3
233.08049	9.7
251.09158	5.7
269.10226	40.3
269.17444	7.0
269.22748	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	269.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06080	1.0
52.91054	1.0
53.03942	4.2
55.01875	6.6
55.05507	8.4
57.03441	10.1
57.07077	1.4
61.02935	1.5
61.68869	1.3
64.88021	1.0
65.03928	2.5
67.05185	1.8
67.05510	25.6
69.03432	51.6
69.07077	10.5
71.04979	3.4
73.02906	2.4
73.39488	1.1
77.03930	1.8
79.05495	19.2
79.05930	2.1
80.15435	1.0
81.03412	14.5
81.06599	1.9
81.07060	35.8
83.04968	4.0
83.08630	6.6
85.02900	2.9
85.06539	1.5
89.17914	1.1
91.05482	43.7
93.07044	37.0
95.04945	4.5
95.08622	9.5
97.06530	5.8
98.21626	2.7
99.04451	6.2
103.03932	4.3
103.05458	3.6
105.03397	2.3
105.07041	8.2
107.04952	6.5
107.08591	10.4
109.10151	3.4
111.08076	3.1
115.05474	11.1
117.07030	8.8
119.04129	1.5
119.04958	18.5
119.08561	3.6
121.06509	23.0
121.10171	6.8
123.11708	1.2
128.06253	7.3
129.07018	6.6
131.04935	5.6
131.08586	10.8
133.02861	5.0
133.06477	9.6
133.10136	6.2
135.04420	100.0
135.11674	4.4
137.05914	9.4
139.03914	1.3
141.06990	9.2
142.07788	1.5
143.08539	3.7
144.05716	21.0
145.06503	12.8
145.10124	2.7
147.04413	82.2
147.08076	3.6
147.11700	1.8
149.05981	51.6
149.13274	14.0
151.03922	20.1
153.07047	1.6
155.06020	1.5
155.08545	2.0
157.06485	14.3
157.10091	3.2
158.07253	3.7
159.04396	1.5
159.08051	6.7
159.11726	10.3
160.05206	2.1
161.05963	5.2
165.05476	13.9
165.06985	3.4
169.06427	6.2
169.10205	1.8
171.04375	1.3
171.11751	2.4
173.05984	18.1
173.13197	2.0
175.07526	1.1
177.12740	4.5
181.06485	3.1
185.05986	16.6
187.07541	12.2
195.08049	1.6
195.13861	3.6
196.08717	1.4
197.06033	2.3
198.06758	2.2
199.14801	2.4
203.07063	9.9
208.52789	1.4
209.09654	2.3
211.07573	3.8
213.09052	1.2
215.07043	18.9
224.08310	7.7
226.06323	2.4
229.63402	1.7
233.08090	8.9
239.06963	2.6
241.08554	4.3
251.09122	3.8
269.07874	9.1
269.10297	27.7
269.17432	12.1
269.22543	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	269.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42724	1.7
53.03930	5.4
55.01860	7.0
55.05506	5.0
57.03422	5.4
61.02923	1.8
62.61370	1.6
67.05498	11.8
69.03431	54.4
69.07052	6.7
69.35263	13.3
69.35661	4.1
71.04988	4.1
73.02915	1.7
77.03941	2.2
79.05499	8.5
81.03085	1.3
81.03425	15.1
81.07056	18.6
83.04991	2.9
83.08623	2.9
85.02882	3.0
85.06534	1.9
90.53916	1.7
91.05481	38.9
92.05813	2.2
93.07046	22.6
95.04962	3.9
95.08600	7.5
97.06542	4.1
99.04444	9.4
99.08134	2.0
103.03953	5.4
103.05441	2.3
105.03394	2.2
105.07018	6.2
107.04947	5.3
107.08576	7.2
109.10159	4.9
109.85457	1.7
111.08101	1.9
111.22265	1.9
115.05438	11.0
116.06196	1.9
117.07022	8.5
119.04932	20.3
119.08560	3.0
119.35583	1.7
121.06516	23.8
121.10146	5.2
121.38821	1.5
128.06190	9.1
129.06998	6.5
131.04916	6.7
131.08537	7.2
133.02864	5.3
133.06517	11.2
133.10127	2.8
135.04410	100.0
137.05911	9.2
139.05452	1.7
141.06995	9.5
143.08574	3.1
144.05695	23.0
145.06490	13.2
145.10123	5.3
147.04405	93.5
147.08029	3.2
147.11688	2.7
149.05983	62.3
149.13242	5.4
151.03893	21.4
157.06508	16.5
157.10101	4.8
158.07262	3.6
159.08040	7.1
159.11691	7.0
160.05183	2.1
161.05971	4.0
165.05498	15.1
165.06830	2.3
169.06442	4.0
171.11693	4.0
173.05981	19.6
175.07526	3.8
177.05522	1.9
177.12782	2.5
181.06630	1.8
185.05984	18.2
185.13202	3.5
187.07565	15.1
197.05885	2.9
199.14973	3.3
203.07028	13.4
209.05934	5.6
213.05374	2.8
213.16423	2.5
215.07036	20.0
226.06360	1.8
227.17882	2.1
233.08043	11.8
233.18243	1.9
241.05170	2.1
241.08401	1.8
251.09160	6.9
261.65482	1.7
269.04459	15.2
269.07462	3.9
269.10211	38.3
269.17401	1.7
269.22580	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	269.1174
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.09406	0.3
55.01854	0.3
55.05513	0.6
57.03449	0.6
67.05501	0.8
69.07056	0.5
70.73199	1.0
76.89831	0.3
79.05489	0.8
81.07056	2.1
83.08647	0.4
91.05504	0.5
93.07048	1.5
95.08601	0.9
105.07027	0.4
107.08586	0.6
109.06546	0.3
109.35064	0.4
109.91515	0.4
121.10129	0.5
123.89799	0.4
131.08586	0.3
133.10060	0.4
137.06522	0.5
149.13261	0.4
152.06209	0.8
153.06912	0.6
157.10188	0.4
165.07040	2.3
166.07780	2.6
167.08485	0.4
168.05721	1.4
169.06500	0.4
176.06168	0.4
177.06973	1.8
178.07787	2.5
181.06422	0.6
183.08061	3.8
192.05693	0.5
193.06441	0.6
194.07286	7.2
195.08066	12.9
196.05147	1.0
196.08658	0.4
197.05859	0.4
198.06752	1.1
205.06575	0.7
206.07294	1.2
207.04390	0.7
208.08900	0.8
208.80898	0.4
209.09656	3.6
211.07559	24.4
221.05965	0.4
222.06789	5.2
223.07556	16.8
224.08258	1.5
225.09062	1.3
226.06223	1.2
226.09912	3.0
233.22641	0.3
237.09087	2.0
238.09906	35.3
239.07039	19.9
239.10645	1.1
241.08638	2.2
253.08636	0.6
254.09398	40.8
255.09883	1.0
269.11734	100.0
270.11896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1174
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01867	1.3
55.05513	3.8
57.03440	2.9
57.07059	0.7
58.50879	0.5
60.57827	0.5
67.05186	0.7
67.05508	10.2
69.03411	1.0
69.07067	4.9
69.43615	0.9
69.44012	3.6
71.04996	1.3
79.05159	0.6
79.05505	6.0
81.03436	0.6
81.06601	0.7
81.07061	13.4
83.04964	1.8
83.08643	3.5
85.06545	1.6
89.92821	0.5
91.05492	5.5
93.07051	10.3
95.04955	1.7
95.08617	3.8
97.06522	1.7
97.10147	0.7
98.01469	0.4
103.05392	0.8
105.07018	2.3
107.04959	4.8
107.08621	5.8
109.06528	1.1
109.10148	0.9
110.07143	0.7
111.08097	0.8
115.05405	0.6
117.07013	1.8
119.04958	0.8
119.08573	1.4
121.06548	1.0
121.10138	2.1
125.09615	0.6
129.06989	0.8
131.08539	2.2
133.06447	0.6
133.10123	1.6
135.04393	1.5
135.11690	1.5
137.06587	0.9
140.00052	0.7
141.07007	0.8
142.07690	0.5
143.08559	0.7
145.06496	0.7
145.10120	0.6
147.04385	1.5
147.11797	0.6
149.05991	0.7
149.13269	4.6
152.06198	1.5
153.06987	1.7
157.06496	1.7
157.10266	0.7
159.11700	2.1
165.05661	0.8
165.07005	4.0
166.07755	2.0
167.08582	0.7
168.05716	1.1
169.06439	1.3
170.07399	0.5
171.08002	0.8
177.06972	2.0
178.07800	2.9
179.05014	0.7
179.08536	1.5
180.05728	0.6
181.06490	9.6
182.07249	1.7
183.04387	0.8
183.08066	5.4
185.05949	1.1
191.08704	0.6
191.10625	0.6
192.05630	0.7
193.06467	1.5
194.07323	6.7
195.08067	13.0
195.13809	2.1
196.05217	0.9
197.05962	0.7
197.09605	0.9
198.06721	3.0
206.07237	0.7
207.04427	0.7
207.08044	0.7
208.05174	0.6
208.08971	0.6
209.05983	4.4
209.09618	4.4
210.06732	3.9
211.07562	20.8
213.05582	0.9
213.09100	1.7
222.06775	5.1
223.07535	16.3
224.04739	0.7
224.08287	2.7
225.05476	1.1
225.09048	2.4
226.06284	7.4
226.09854	2.6
227.06981	0.6
237.05333	0.7
237.09128	2.4
238.09906	33.4
239.07042	18.1
239.10622	1.4
241.04993	1.1
241.08598	7.4
251.14250	0.6
254.05736	2.0
254.09395	38.2
255.09921	0.9
269.08112	28.9
269.11713	100.0
269.17331	4.4
269.22601	2.3
270.08722	0.6
270.12015	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	269.1611
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
55.01886	0.4
55.05509	0.3
56.05033	1.0
56.96566	3.1
57.03440	0.3
60.04535	1.5
61.02932	0.9
67.87247	0.2
69.03424	1.3
69.56649	0.7
69.57077	0.9
70.06573	1.2
70.98132	0.4
71.95280	0.4
72.08150	0.3
73.02918	0.5
81.03416	0.6
81.04553	1.6
82.05315	0.3
82.96607	0.2
83.06109	9.6
84.04499	0.5
84.08147	1.0
84.96027	0.5
85.02913	1.9
86.09707	2.2
91.05470	1.2
93.03938	0.4
93.04533	7.9
95.06111	1.2
97.02905	1.3
98.21425	0.4
98.97591	4.6
101.00876	0.8
102.96909	0.4
107.04968	2.7
109.02846	0.3
110.01290	0.3
110.07170	100.0
110.97564	2.5
111.05577	0.3
112.99174	0.5
113.00853	0.3
115.02449	0.4
116.07127	0.2
116.98645	1.0
119.01909	0.6
119.04961	0.9
121.04034	0.3
121.76318	0.2
122.00310	0.3
122.07156	1.6
123.04452	0.4
124.08733	0.4
124.99136	0.3
127.03945	0.3
128.98611	0.9
130.98882	0.2
131.00102	0.3
132.10155	0.3
133.03496	0.4
136.06224	1.3
136.07587	5.8
137.06601	1.1
138.05527	1.2
138.06635	3.3
140.98616	0.3
142.96669	0.2
143.00153	0.3
143.01927	0.3
145.03497	0.3
145.04932	0.3
146.99687	0.4
152.07095	0.7
156.07695	9.1
157.03468	0.3
158.99678	0.4
164.07085	0.4
165.05498	0.5
166.06128	0.8
168.03621	0.5
168.98097	0.6
170.99651	0.3
173.02916	0.3
174.02985	0.3
175.02800	0.4
176.03313	0.3
178.13382	2.9
182.08119	1.0
182.99046	0.6
189.00745	0.4
192.04579	0.3
194.99104	0.3
196.54718	0.4
206.12901	0.4
214.95433	0.7
219.01793	0.5
221.05077	0.4
223.05453	0.2
223.10750	0.5
223.15555	6.3
225.08913	0.3
226.95441	0.3
230.04491	0.3
232.96545	0.4
234.12419	0.3
240.05052	0.3
251.15059	7.5
268.96735	0.3
269.04425	0.4
269.11536	0.7
269.16086	16.4
270.50192	0.2
286.05374	0.6
286.97571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	3.9
53.59365	1.5
55.01866	3.6
55.05515	23.1
57.03443	33.6
57.07074	4.5
61.26093	1.5
61.39234	1.7
67.05509	83.7
69.03422	2.3
69.07073	26.6
69.80097	5.3
70.51108	1.5
71.05013	7.8
74.01004	1.8
77.03900	1.7
79.05498	47.7
81.03419	3.1
81.07060	100.0
83.04984	11.4
83.08617	16.3
85.06538	5.8
91.05492	23.1
93.07052	70.2
95.04965	7.2
95.08614	24.4
97.06537	14.4
97.10155	1.8
98.20777	1.7
99.08122	4.2
105.07032	11.1
107.04971	2.9
107.08605	38.2
109.06527	4.3
109.10133	4.7
111.08084	8.0
113.06034	1.5
115.11382	1.6
117.07024	11.2
119.08540	2.2
121.10150	23.3
123.11697	2.8
131.08559	9.1
133.10143	7.9
135.04420	3.7
135.11717	8.5
139.11205	3.4
147.04396	4.0
149.05962	1.5
149.12074	2.6
149.13263	50.8
151.11192	2.4
156.92346	1.5
157.06584	2.5
158.08763	1.6
159.11699	21.6
177.12720	7.9
195.13867	12.1
200.76834	1.6
232.21625	1.8
243.24727	1.8
269.08115	5.1
269.17490	42.5
269.22256	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01875	9.2
55.05514	24.0
57.03164	1.9
57.03441	35.0
57.07068	5.6
59.95617	1.3
65.03941	3.1
67.05508	79.2
68.71246	1.3
69.03426	2.8
69.07068	34.1
69.88316	7.4
71.05003	6.6
71.08645	2.3
77.03918	1.3
79.05498	46.4
81.03400	2.2
81.07058	100.0
81.65109	1.7
83.04984	12.1
83.08624	17.0
85.06536	6.4
91.05480	27.4
93.07047	74.9
95.04971	5.6
95.08609	33.8
97.06530	18.2
97.10171	3.5
99.08086	4.9
100.73354	1.5
105.07036	10.6
107.04943	2.7
107.07895	2.3
107.08597	36.1
109.06522	4.1
109.10155	3.9
110.07227	1.9
111.08071	9.3
117.07016	9.6
119.06027	1.5
119.08565	5.3
121.06506	2.3
121.10151	23.7
123.11680	4.6
131.08580	12.7
133.10130	9.4
135.08070	3.2
135.11694	10.3
136.06183	2.6
137.06557	2.0
139.11182	3.5
143.08582	1.6
147.11659	2.5
149.12045	2.7
149.13263	51.8
152.06223	3.1
153.07021	3.3
159.11699	20.8
165.06958	2.8
168.05695	5.4
169.06499	2.0
169.10037	1.6
171.11671	1.9
177.12764	11.1
180.05719	2.1
181.06483	8.2
182.07285	1.3
183.04362	2.7
183.07962	2.5
185.06036	2.4
194.07277	2.5
195.08037	7.0
195.13811	11.0
196.05165	3.9
196.08826	4.7
197.06013	3.6
198.06717	6.4
198.76161	1.5
207.07974	1.7
208.05261	2.8
208.08798	1.7
209.05914	1.7
210.06821	2.9
210.10165	1.3
211.07542	6.2
213.09084	4.7
213.14859	1.8
223.07521	2.1
224.08328	15.0
225.05516	2.4
226.06305	13.6
226.09776	3.5
237.05521	3.8
239.07034	2.6
239.10692	4.4
241.08620	23.4
251.07086	3.3
253.04953	2.9
254.05809	7.7
254.09306	5.4
269.08093	56.8
269.11685	34.4
269.17456	39.7
269.22522	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.86929	1.2
52.48936	1.3
53.03941	5.3
55.01862	3.8
55.05513	17.4
57.03162	1.8
57.03439	34.9
57.07077	6.2
65.03934	2.3
67.05506	74.1
69.07071	32.5
71.04977	5.6
79.05497	44.5
81.03405	2.0
81.07057	100.0
83.04983	13.4
83.08620	14.8
85.06538	4.9
91.05480	20.7
93.07046	67.9
93.07649	2.5
95.04970	5.1
95.08610	21.4
97.06535	15.6
97.10159	2.7
99.08104	5.0
101.80906	1.3
105.04536	2.4
105.07031	10.4
107.07879	2.9
107.08596	37.8
109.06512	2.1
109.10149	5.5
111.08083	8.6
111.11735	1.7
113.06004	2.0
113.09668	1.4
117.07010	11.9
119.08578	6.0
121.10145	22.9
123.11681	2.0
125.09694	1.6
129.07028	2.2
131.08563	10.3
133.10141	10.0
135.11673	9.6
136.06151	2.1
139.11215	1.8
143.08578	3.7
145.10101	3.7
147.11647	2.1
149.13260	45.9
149.28398	1.3
157.10124	5.8
159.11714	20.2
161.13261	2.4
169.10068	1.6
171.11661	2.4
173.13179	1.7
177.12749	11.2
185.13292	4.0
195.13818	10.9
195.81651	1.2
199.11052	1.2
199.14867	2.3
209.13167	1.7
213.16418	2.2
219.02463	1.3
239.47174	1.4
241.08611	3.4
269.08084	5.4
269.17197	32.0
269.22263	12.8
270.27866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	4.5
55.01884	2.9
55.05516	29.7
57.03196	2.8
57.03442	34.6
57.07074	4.1
62.17141	2.3
67.05508	89.7
69.07071	30.4
69.19827	22.2
69.20173	3.8
71.04982	9.1
73.46955	2.0
79.05496	55.3
80.82779	2.1
81.07062	100.0
83.04970	9.3
83.08625	21.3
85.06548	6.4
91.05489	35.2
93.07050	88.5
93.07648	3.7
94.64607	1.9
95.04962	6.6
95.08063	3.0
95.08618	29.8
97.06545	21.3
98.20699	5.0
99.08096	3.8
105.07059	15.1
107.08608	42.0
109.06525	4.5
109.10094	2.9
111.08096	8.9
117.07013	14.4
119.08596	3.1
121.10159	21.2
123.11731	5.1
131.08586	13.5
133.10135	15.5
135.04393	3.4
135.08109	3.9
135.11673	14.9
149.13263	40.8
151.11208	3.1
153.09016	2.9
159.11702	27.8
167.14301	2.4
177.12756	10.3
195.13824	16.6
213.40601	2.1
269.07962	4.0
269.17505	59.9
269.22168	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	7.3
55.01869	2.5
55.05511	22.2
57.03440	32.1
57.07072	3.9
67.05508	81.3
68.87720	1.6
69.07072	24.4
70.22729	2.9
70.23127	3.9
71.04996	7.3
79.05499	45.6
81.03430	3.4
81.07061	100.0
81.42400	1.8
83.04986	10.4
83.08618	16.6
85.06538	6.3
91.05479	28.2
93.07049	62.7
93.07642	3.4
95.04987	4.7
95.08614	21.8
97.06535	15.2
99.08078	3.9
104.70858	1.8
105.07050	10.8
107.08604	37.2
109.06555	4.7
109.10152	4.9
111.08073	8.1
113.09643	2.7
117.07021	11.1
119.08595	2.1
121.06522	2.1
121.10151	19.1
123.11681	3.6
130.72061	1.9
131.08577	14.5
133.10141	15.2
135.11661	13.3
139.11143	2.2
149.12080	2.6
149.13269	48.6
157.10107	2.9
159.11705	26.0
177.12781	13.5
195.13835	15.2
269.17471	48.7
269.22482	3.1
270.17978	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03925	4.9
55.01871	6.4
55.05514	22.1
57.03440	33.0
57.07064	3.9
63.93424	1.3
65.03940	2.7
65.63943	1.3
67.05507	82.6
69.07070	25.8
69.82561	2.2
69.82990	6.5
71.04981	5.5
73.02911	2.3
73.48657	1.3
79.05496	51.8
81.03451	1.7
81.07056	100.0
83.04989	7.8
83.08623	22.0
85.06525	5.8
91.05479	31.0
93.07047	74.6
95.04970	7.2
95.08611	26.8
97.06533	18.9
97.10151	2.4
99.08072	4.1
105.04493	1.8
105.07021	10.5
107.08593	37.2
109.06519	3.3
109.10168	3.8
111.08072	10.9
117.07021	12.0
119.08551	3.2
121.06508	1.5
121.10133	18.8
123.11688	4.9
131.08559	10.8
133.10126	14.1
135.02162	1.3
135.08057	2.0
135.11688	14.4
149.09520	2.1
149.12068	1.9
149.13263	38.6
151.11186	2.8
153.07024	1.5
159.11688	23.9
168.05711	2.4
177.12764	12.4
179.14325	2.2
181.06400	2.5
195.08031	1.4
195.13812	14.9
198.06851	3.8
205.72424	1.3
207.37622	1.2
211.07564	2.1
226.06326	3.4
241.08577	12.9
269.08142	19.6
269.11224	2.6
269.17493	52.4
269.26700	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.96613	1.1
53.03928	4.9
55.01854	4.9
55.05284	1.7
55.05513	23.1
57.03440	30.5
57.07055	4.7
65.03917	2.3
67.05505	75.8
69.07066	25.5
69.83410	6.4
71.04974	4.9
71.08614	1.3
76.96532	1.3
79.05495	42.1
80.17746	1.4
81.03391	1.9
81.07055	100.0
83.04987	9.1
83.08615	18.5
85.06533	4.2
91.05484	32.5
93.07047	73.2
95.04954	5.6
95.08607	21.4
97.06535	17.6
97.10152	2.3
98.21429	1.6
99.08077	3.4
105.07040	11.2
107.07885	2.0
107.08590	29.3
109.06514	4.0
109.10136	3.8
111.08071	8.4
117.07017	11.4
119.08564	2.4
121.06512	1.7
121.10146	16.6
123.11703	3.9
129.07056	1.4
131.08565	11.9
133.10150	14.2
135.08054	3.0
135.11687	11.6
139.11118	1.3
149.13266	38.7
151.11246	2.1
154.53113	1.1
159.11688	25.6
159.21313	1.2
162.48515	1.2
168.05673	4.2
177.12755	9.7
179.14307	2.6
186.74852	1.2
195.13815	16.8
198.06787	3.8
207.81593	1.2
211.07620	2.9
213.09157	1.8
226.06235	4.0
241.08545	11.3
251.16470	1.4
269.08087	24.9
269.17465	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12936	1.6
53.03941	4.5
55.01871	4.4
55.05514	21.9
57.03156	2.5
57.03437	39.3
57.07065	5.6
65.03913	1.9
67.05506	71.9
69.07066	28.5
70.95462	1.8
70.95791	3.1
71.04986	6.7
73.47577	1.6
79.05495	40.8
81.03480	1.5
81.07057	100.0
83.04980	9.4
83.08621	15.6
85.06542	4.8
86.09721	3.0
91.05486	24.7
93.07043	67.6
95.04980	3.7
95.08606	24.4
97.06533	15.6
97.10156	1.8
99.08091	3.9
105.04560	1.6
105.07024	10.2
107.08589	36.4
109.10145	6.2
111.08092	9.3
111.11708	2.4
113.09669	1.7
117.07024	10.4
119.08586	7.1
119.87562	1.6
121.06521	2.9
121.10143	23.4
123.11695	4.4
128.06241	1.5
131.08549	11.2
133.10133	9.1
135.11691	9.7
139.11235	2.8
143.08548	2.4
145.10129	2.0
147.11632	2.4
149.13257	51.7
157.10124	3.1
159.11685	18.2
171.11742	1.8
177.12714	10.3
185.13377	2.8
195.13834	15.8
211.07625	1.9
213.16444	3.2
224.09050	2.0
226.06236	3.9
230.55806	1.6
239.10703	3.4
241.08673	4.8
254.13092	4.0
269.07941	11.5
269.12558	2.9
269.15195	5.3
269.17453	29.3
269.22189	8.1
269.26657	16.7
270.17636	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	5.1
55.05510	20.6
57.03437	41.0
57.07080	13.0
65.03936	2.6
67.05507	80.1
69.07073	29.2
71.04984	5.8
71.08624	6.2
71.33259	2.6
76.35636	1.7
79.05492	45.2
81.07058	100.0
83.04970	7.8
83.08622	13.5
85.02905	2.0
85.06541	6.3
91.05481	19.5
91.17254	1.7
92.16063	1.8
93.07047	77.0
93.97475	1.6
95.04955	6.1
95.08605	25.1
97.06541	19.0
97.10155	2.3
98.43100	1.6
99.08085	4.4
105.07024	7.8
107.08598	39.6
109.06570	1.9
109.10125	2.7
111.08061	11.8
111.11735	2.0
117.07005	6.8
121.10149	24.6
123.25624	1.8
131.08565	9.6
133.10179	8.2
135.11693	9.3
137.09137	1.7
139.11252	2.4
147.11777	2.3
149.13257	52.9
158.15434	5.4
159.11702	18.0
177.12714	11.4
195.13791	12.2
241.08708	2.0
269.17438	32.9
269.22696	2.1
270.27930	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.76671	2.1
52.70972	2.1
53.03954	3.5
55.01855	2.5
55.05511	20.5
56.14890	2.9
57.03442	35.7
57.07077	4.4
63.76442	2.0
65.03937	3.7
67.05507	76.2
69.03434	2.6
69.07075	32.5
70.04259	10.4
71.04997	6.7
79.05498	51.5
81.07057	100.0
83.04985	6.6
83.08614	19.2
85.06562	6.6
91.05492	21.6
93.06481	4.7
93.07044	63.2
95.04982	6.4
95.08624	32.8
97.06530	14.2
97.10163	4.0
98.21374	2.6
99.08089	2.8
105.07034	11.0
107.08602	41.4
109.06520	3.0
109.10136	3.6
111.00233	2.3
111.08097	11.8
117.07033	7.5
118.39316	2.2
119.08603	3.1
121.06514	6.1
121.10139	22.3
123.11699	3.8
127.16320	2.3
131.08569	9.4
133.10161	9.6
135.04478	3.2
135.11717	9.5
142.07802	3.3
149.13277	46.0
150.06439	2.9
157.10179	4.4
159.11717	22.1
159.93532	2.2
161.06023	3.2
177.12761	9.5
195.13808	11.9
238.71860	2.2
264.97708	2.2
269.17508	39.4
269.22571	7.3
277.42740	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.9
55.01861	3.7
55.05511	22.8
57.03441	38.0
57.07069	4.4
61.80555	2.4
67.05505	78.6
69.03439	4.0
69.07074	30.1
70.17989	9.2
71.04988	8.2
75.57391	2.8
79.05494	48.2
79.05930	5.0
81.03402	3.4
81.07059	100.0
83.04976	10.7
83.08622	20.0
85.06534	7.4
91.05473	25.5
93.07044	71.6
93.07626	2.8
95.04973	5.0
95.08608	25.7
97.06533	12.0
99.08101	3.4
105.07027	12.2
107.08609	39.6
109.10160	6.5
111.08078	6.4
117.07015	11.7
119.08570	6.6
121.06454	3.2
121.10130	27.9
131.08601	14.8
133.10127	11.6
135.04416	7.7
135.11707	10.7
142.07675	3.1
143.08504	4.5
147.04399	6.8
149.06003	3.4
149.13268	44.2
157.10168	3.5
159.11703	27.5
173.13202	3.5
177.12730	10.2
187.11273	3.1
195.08202	3.5
195.13797	11.0
213.16438	3.2
226.06148	3.1
254.05716	4.6
269.07956	15.3
269.11725	8.8
269.17459	36.9
269.22357	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03946	4.4
55.01870	4.6
55.05275	1.8
55.05517	20.4
57.03442	37.8
57.07078	9.7
65.03931	3.0
67.05507	84.5
68.99780	5.2
69.07069	32.8
71.04999	8.8
71.08612	3.2
71.48988	2.2
78.37974	1.4
79.05495	47.9
81.03413	4.1
81.07059	100.0
83.04984	11.2
83.08620	20.5
85.06544	5.7
86.46048	1.4
91.05479	21.6
93.07046	72.8
94.07413	1.9
95.04989	6.9
95.08605	31.3
97.06534	15.2
99.08091	3.9
105.07044	7.9
107.08595	43.2
109.06500	3.7
109.10169	4.3
111.00819	12.9
111.08111	9.3
113.09643	2.4
115.05450	1.9
117.07011	10.3
119.08597	6.1
121.06516	1.9
121.10146	25.8
123.11651	3.9
129.06984	1.5
131.08582	9.5
133.10139	11.9
135.08035	2.0
135.11682	12.7
139.00272	23.2
139.11179	2.6
145.10155	2.0
147.11653	2.2
149.13260	54.2
157.01337	13.6
157.10178	2.0
159.11716	23.0
171.11617	2.2
174.15614	1.4
177.12758	10.7
180.09297	1.4
194.87445	1.3
195.12088	2.1
195.13824	14.2
211.07535	1.9
226.06218	1.9
241.08691	8.0
269.08084	13.7
269.11697	2.0
269.14609	2.3
269.15314	1.6
269.17368	41.5
269.22733	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01873	4.2
55.05518	22.0
57.03438	26.7
57.07074	3.8
63.14882	2.0
65.03951	2.8
67.05508	65.6
69.03452	4.4
69.07072	31.8
70.86280	3.5
71.04994	5.1
73.02917	2.1
73.21836	1.8
79.05495	50.4
80.14902	1.7
81.03439	3.3
81.07059	100.0
83.04987	11.2
83.08621	16.0
85.06557	6.8
91.05488	33.2
93.07047	74.0
94.06554	2.7
95.04974	7.9
95.08053	2.8
95.08614	25.2
95.09200	3.0
97.06533	12.7
97.10181	2.9
99.08096	4.4
105.07045	12.1
106.06529	2.3
107.04993	4.2
107.08597	36.8
109.06501	2.9
109.10172	7.0
110.07159	5.2
111.08091	9.5
115.05466	3.8
117.07022	11.2
119.08596	4.7
121.06545	3.9
121.10149	17.7
123.11750	4.8
125.09617	2.3
129.07028	3.1
131.08553	13.8
133.10124	15.2
135.04414	4.3
135.08078	3.4
135.11723	7.9
136.06209	6.6
137.06549	3.5
139.07579	1.8
139.11156	2.3
141.07021	2.5
142.07831	2.2
143.08572	2.4
145.06520	2.0
145.10143	2.8
147.04436	2.1
147.11679	2.5
149.06006	3.5
149.13271	42.1
151.11124	2.3
153.07066	2.9
155.08565	2.9
157.06529	3.0
157.10089	3.9
159.11694	21.2
165.07114	2.2
167.08485	1.8
169.06398	1.9
171.08069	2.1
173.05904	1.8
177.11427	2.0
177.12752	12.2
180.08096	2.1
181.06522	7.3
185.13286	1.9
187.08015	1.8
195.08009	3.1
195.11868	3.0
195.13799	12.7
196.11205	2.7
198.06807	3.6
198.11597	2.7
209.05846	2.0
211.14868	2.5
224.08380	6.0
224.10689	8.1
225.10222	6.0
226.06212	8.1
226.11128	9.5
237.05444	2.4
241.04927	3.5
241.08630	10.6
241.13391	3.8
241.77760	2.3
254.05827	3.7
254.09599	2.4
269.04846	3.7
269.08099	45.1
269.12424	15.8
269.17456	36.5
269.19690	2.0
269.22458	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	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42471	1.4
53.03949	6.0
55.01873	3.9
55.05512	20.8
57.03441	30.8
57.07082	4.0
64.23730	1.5
65.03926	2.8
67.05507	78.7
69.07069	27.6
70.72871	4.5
71.04993	6.3
76.86632	1.4
79.05497	45.5
81.03407	1.9
81.07059	100.0
83.04994	9.6
83.08629	15.9
85.06536	6.1
91.04981	2.5
91.05491	29.5
92.04951	1.5
93.07050	71.8
95.04970	6.0
95.08613	22.7
95.99268	1.4
97.06541	16.3
99.08109	3.2
99.24074	1.4
105.04532	1.6
105.07032	12.3
107.08600	38.2
109.06542	3.1
109.10168	4.9
110.07246	1.7
111.08083	8.8
115.05483	1.9
117.07011	13.0
119.01977	1.5
119.08610	3.4
121.06507	3.0
121.10146	18.2
123.11687	3.4
128.06244	1.6
129.06996	1.6
131.08562	11.7
133.10141	15.6
135.04413	2.5
135.08046	2.6
135.11720	11.7
136.06230	2.0
137.06563	1.5
139.11249	1.8
143.01788	1.7
147.04401	2.6
149.09610	1.8
149.13260	41.8
151.11244	2.1
159.11703	20.6
167.14366	1.9
177.12755	10.7
181.06485	2.4
195.13847	15.1
196.08865	2.0
209.05869	1.9
210.06621	1.6
213.14954	1.5
224.08371	1.8
241.08611	6.3
269.08301	7.3
269.11591	6.8
269.17444	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	4.3
55.01870	1.7
55.05273	1.8
55.05513	23.0
57.03442	34.6
57.07066	3.7
65.03938	2.3
65.34108	1.3
67.05507	71.4
67.36622	1.3
69.03434	1.7
69.07069	31.4
70.92519	2.3
71.04983	5.2
77.03928	1.4
79.05498	50.4
81.03417	2.9
81.07059	100.0
83.04975	7.9
83.08624	18.7
85.06536	5.2
91.05487	27.1
93.07047	72.1
95.04956	5.2
95.08614	28.3
97.06538	13.9
97.10123	2.5
99.08076	3.7
105.07041	9.8
107.04967	2.1
107.07888	2.1
107.08598	34.7
109.06526	2.4
109.10133	4.2
111.08067	9.1
117.07012	8.7
119.08581	3.9
121.10150	20.9
123.11707	4.0
131.08560	12.8
133.10104	12.8
135.08046	1.8
135.11736	10.8
136.06223	1.6
139.11194	2.0
147.11668	1.8
149.13274	40.3
151.11194	3.5
157.06548	1.4
159.11702	23.7
177.12761	10.5
195.13814	15.0
209.05949	1.6
212.07916	1.4
241.08490	2.5
269.08105	8.9
269.11230	2.6
269.17468	45.9
269.22552	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	5.5
55.01860	7.6
55.05507	23.7
57.03164	2.3
57.03438	37.4
57.07063	4.9
65.03944	3.1
67.05506	80.0
69.03416	8.5
69.07066	28.4
69.43248	5.1
69.43668	8.6
71.04974	6.1
71.08623	2.5
79.05493	48.1
81.03421	2.5
81.07057	100.0
83.04972	8.0
83.08616	17.2
85.06535	8.1
91.05479	29.7
93.07045	75.2
93.07634	3.5
95.04962	8.0
95.08610	30.2
97.06541	15.2
97.10149	2.8
98.20837	4.1
99.04483	2.1
99.08064	4.9
105.07030	11.2
107.04944	7.8
107.08591	38.9
109.06513	3.7
109.10141	5.4
111.08101	11.0
115.48564	1.9
117.07029	10.1
119.08582	6.6
121.06490	4.8
121.10132	22.9
123.11691	3.2
127.07550	3.0
128.06239	2.6
129.06985	1.9
131.04903	1.9
131.08551	12.4
133.06552	2.3
133.10114	10.4
135.04410	11.7
135.07994	2.3
135.11693	11.1
137.05894	2.1
139.11104	2.4
142.07726	1.7
143.08548	2.8
144.05676	4.7
145.06496	3.8
145.10133	3.1
147.04440	9.0
149.05956	6.2
149.09601	1.7
149.12062	2.5
149.13260	49.2
157.06461	3.0
157.10147	5.1
159.11685	21.6
165.01813	5.7
165.05511	2.8
177.12679	9.2
185.13226	2.9
195.13759	11.2
203.07063	3.1
215.06998	4.4
226.06187	2.9
241.08612	3.3
269.07889	12.0
269.11743	4.4
269.17490	44.2
269.22412	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	271.0602
Annotation	Galangin
Peak:m/z	Relative Intensity
51.02360	0.2
53.03938	0.6
55.01856	0.5
55.05501	0.5
57.07058	0.2
65.03957	0.2
67.01849	0.2
67.05488	0.5
68.99783	1.4
69.03423	0.3
69.07038	0.4
69.69310	0.7
77.03940	0.3
79.05457	0.4
79.06457	0.1
81.03397	0.2
81.07059	0.9
82.15919	0.1
83.01317	0.1
83.08614	0.3
85.02892	0.1
91.05479	2.2
93.07050	0.7
95.04941	0.5
95.08589	0.8
103.05447	0.4
105.03390	5.8
105.04477	0.3
105.07021	0.8
107.04961	3.0
107.08568	0.5
109.02885	0.8
109.10137	0.7
111.00809	0.2
115.05458	0.6
117.07019	0.3
119.04916	0.4
119.08580	0.9
121.06522	0.3
121.10128	0.4
123.04388	0.3
123.11736	0.3
128.06227	0.3
129.03387	0.2
129.06978	0.6
131.04936	1.5
131.08556	0.5
133.06435	0.2
133.10132	0.5
135.04399	0.1
135.11687	0.2
137.02335	1.2
137.06026	0.3
141.05975	0.2
141.06979	2.2
143.08553	0.2
145.02890	0.2
145.06516	0.7
145.10133	0.6
147.04404	0.7
147.11696	0.5
148.07481	0.2
149.05945	0.4
149.13274	0.2
152.06212	0.6
153.01831	8.8
153.06992	1.4
154.07739	0.2
155.04897	0.5
155.08533	0.5
157.06488	0.2
159.04391	0.2
159.11674	0.6
161.05971	1.3
161.13210	0.5
163.14767	0.2
165.01834	3.1
165.07005	2.2
166.07718	0.2
167.08478	0.3
168.05768	0.7
169.06503	1.3
169.10065	0.2
171.11687	0.2
173.06032	0.3
173.13229	0.5
177.05478	1.4
181.06461	0.9
182.07281	0.5
183.02876	0.4
183.08067	1.0
185.05943	0.4
187.03929	0.4
187.07535	0.3
187.14836	0.2
189.16441	0.2
193.06438	0.6
195.08090	0.6
196.05190	0.5
196.08884	0.2
197.05965	3.3
197.09682	0.2
200.04689	0.5
200.08253	0.2
201.05444	0.3
201.16414	0.3
203.07042	0.2
207.04408	0.2
210.06784	0.4
211.07559	2.3
212.08334	1.4
213.05507	1.1
214.05983	0.2
215.07019	2.0
215.10548	0.2
215.18033	0.3
221.06001	0.4
223.07535	0.2
225.05452	0.8
225.09032	0.8
227.06937	0.2
227.10663	0.6
228.04123	0.8
228.07729	0.7
229.04974	0.3
239.07034	1.2
240.07872	0.4
241.04903	0.2
242.05740	1.2
243.06532	0.9
243.10133	1.5
247.06238	0.3
253.04892	0.3
253.08687	0.5
256.07367	0.5
271.06015	100.0
271.09457	7.2
271.24191	2.4
272.06400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05503	3.4
55.54033	1.6
57.07059	2.4
58.33603	2.0
58.99592	41.2
61.18453	1.4
61.79314	1.5
65.03959	2.8
67.05495	5.3
69.03430	2.9
69.07073	2.8
70.02950	3.3
70.06572	2.1
71.05018	3.3
71.32545	1.7
71.48350	1.6
73.01147	3.7
76.04001	5.1
76.45208	1.7
79.05486	7.6
81.03408	2.4
81.07047	7.9
82.06561	3.1
83.04989	4.9
85.06516	2.3
86.00659	1.8
86.99058	25.3
88.02216	10.5
91.05482	8.7
92.04988	2.3
93.07040	6.8
95.04959	5.9
95.08635	5.6
97.01109	2.7
97.06518	2.0
98.00620	2.2
99.02699	1.9
99.04477	1.7
103.05466	3.5
105.07030	5.2
107.04967	40.0
107.07296	1.9
107.08586	4.8
109.06554	3.4
109.10197	3.8
110.06044	37.1
112.02216	4.7
113.04239	3.2
115.05458	3.3
116.01688	88.3
119.04924	3.0
119.08572	5.9
121.06513	5.0
121.10162	3.1
122.06038	2.1
125.00604	2.3
125.06036	2.1
126.03683	2.4
127.02114	2.3
129.07022	2.4
131.04930	5.0
133.10135	4.0
135.04393	2.5
135.08014	2.0
135.11748	1.8
137.06035	2.0
140.05304	33.6
140.06346	1.9
141.06963	5.5
142.03271	13.2
143.08578	4.0
144.01180	17.6
145.06146	5.3
145.10152	5.0
147.04443	1.9
149.09688	2.0
150.03735	24.7
152.06244	1.8
153.06993	9.6
155.08615	8.3
157.10121	6.3
162.02211	21.8
165.07014	21.1
167.08514	4.2
168.04788	100.0
168.09390	2.8
169.06499	2.7
169.10147	7.0
171.08109	2.6
171.11682	2.8
173.09621	1.9
173.13284	3.1
177.05495	22.4
179.08591	2.2
181.06464	5.5
181.10129	5.8
182.07133	1.8
182.10884	2.4
183.08105	13.4
183.11696	5.7
185.06085	2.4
185.09589	4.2
187.11099	3.0
193.06506	4.0
193.10173	2.1
195.08162	2.1
195.11649	4.4
196.05455	13.8
196.12411	1.8
197.05972	4.8
197.07480	6.3
197.09637	6.6
197.13255	3.3
211.07571	31.9
211.11064	4.1
211.14850	2.0
212.08319	4.2
213.12814	2.2
215.10588	2.4
220.12683	2.1
221.06012	6.1
225.06949	9.3
225.09015	3.5
225.12747	2.8
225.16339	6.5
227.14571	2.2
228.07776	3.0
239.07005	7.4
243.08060	51.9
243.10202	4.3
253.08728	2.3
253.15874	4.5
269.23950	1.9
271.07382	45.3
271.09738	50.2
271.14081	3.9
271.16943	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	4,7-Dihydroxy-2,3-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01863	2.0
57.74174	0.5
57.97762	0.5
69.84124	2.8
91.27333	0.5
102.10242	0.5
128.06242	0.6
141.06987	0.8
152.06192	0.9
153.06982	2.7
154.07802	0.8
155.08519	1.2
157.06519	2.2
159.08084	0.9
161.06013	2.7
165.07030	6.3
166.07759	0.6
167.08578	1.5
168.05739	3.4
169.06459	2.8
170.07283	0.8
171.08005	1.0
172.08836	0.6
178.07922	0.6
181.06509	3.5
182.07297	3.7
182.83025	0.5
183.08124	5.7
184.08832	1.8
185.05998	7.1
187.07545	1.1
193.06657	0.7
194.07298	0.9
195.08084	1.1
196.05246	2.7
197.06004	13.5
197.09663	1.6
198.06566	1.2
199.07568	1.6
200.08334	3.6
201.09093	1.4
203.07021	1.3
209.05830	0.7
210.06770	2.3
211.07565	9.2
212.08333	35.0
213.05487	12.5
213.08778	1.1
215.07140	1.1
215.10667	5.1
225.05542	0.8
225.09079	3.8
227.07043	2.4
228.07826	30.1
229.08687	0.8
242.09302	1.1
243.10190	55.7
244.10548	1.1
253.08620	1.5
256.07281	1.1
271.09668	100.0
272.10019	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03949	0.8
55.01869	1.1
55.05503	2.6
67.05486	1.8
69.07064	1.3
70.93650	0.7
75.04456	0.8
79.01681	0.6
79.05481	2.5
81.07037	2.6
91.05473	3.6
93.07040	1.9
95.08568	1.9
105.03376	1.4
105.07022	1.8
107.08569	1.6
109.06570	0.7
109.10153	1.0
115.05456	2.0
117.06998	4.8
119.08576	1.6
121.06470	0.7
128.06215	1.5
129.07025	1.8
131.04932	1.0
131.08562	2.3
133.10109	1.5
141.06999	3.2
142.07761	1.2
143.08563	2.2
144.05690	0.6
145.06468	5.4
145.10080	1.5
147.07925	0.8
152.06221	7.4
153.01772	0.9
153.06993	4.8
154.07747	2.1
155.08571	2.9
157.06470	0.6
157.10121	1.8
159.08060	3.3
159.11739	0.7
165.01855	0.9
165.06998	18.9
166.07796	3.5
167.08551	7.0
168.05673	2.1
169.06477	7.5
169.10088	1.0
171.04358	1.0
171.08058	1.2
173.09612	1.3
175.03868	0.9
178.07793	1.5
179.08557	1.7
180.05669	2.7
181.06488	8.8
182.07263	7.1
183.08072	8.8
184.08752	1.4
185.05991	2.4
186.06831	0.7
192.05637	0.8
193.06464	7.0
194.07266	12.6
195.08043	16.4
196.05183	1.2
196.08842	14.8
197.06000	9.2
197.09602	3.6
198.06790	1.0
199.03844	1.6
199.07545	1.9
199.30038	0.6
200.08313	1.2
201.09143	0.8
208.08852	1.5
210.06750	10.3
211.07529	25.1
212.08328	19.2
213.05481	3.2
213.08946	0.9
215.07050	0.9
215.10648	1.0
224.16597	0.6
225.09096	100.0
226.09860	25.7
227.10638	31.2
228.07793	7.2
229.08636	0.8
238.06316	0.6
239.07065	2.5
240.07770	2.0
241.04967	1.6
243.10165	18.4
243.17450	0.8
253.08727	2.9
253.15941	1.3
256.07205	2.5
271.06042	25.0
271.09641	66.7
271.16910	11.3
271.20062	1.1
271.24179	1.5
272.10049	1.1
279.87085	0.7
290.08948	0.6
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	4,7-Dihydroxy-2,3-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.85745	0.7
55.01861	1.9
70.86109	0.8
70.86434	0.8
92.77673	0.5
95.55315	0.6
99.92490	0.6
141.07008	0.8
153.06969	1.6
155.08578	1.0
157.06468	1.5
161.05994	3.3
165.06998	2.1
168.05693	3.3
169.06541	3.0
181.06503	1.6
182.07307	1.6
183.08159	3.4
184.08798	1.4
185.05980	7.9
186.06865	0.8
187.07532	0.7
196.05185	2.8
197.05978	15.0
197.09680	0.8
199.07512	1.1
200.08281	3.4
203.07047	1.9
210.06725	0.7
211.07521	6.1
212.08333	32.9
213.05484	13.3
213.08899	1.0
215.10664	3.2
225.09216	2.6
227.07007	1.7
228.07806	26.9
229.08511	0.8
240.07770	0.7
243.10175	49.8
244.10516	1.0
253.08638	0.6
256.07187	0.8
271.09653	100.0
272.09976	1.7
293.31506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01863	2.4
57.23292	0.6
69.69058	4.2
84.16245	0.7
111.30387	0.6
111.32750	0.7
115.94492	0.7
119.08538	0.8
129.07016	0.7
140.44260	0.7
141.06956	1.6
145.06499	0.8
152.06253	1.2
153.06985	1.9
155.08446	0.8
157.06496	2.0
159.08052	1.0
161.06024	4.0
165.06995	4.3
167.08588	1.1
167.29234	0.7
168.05690	4.3
169.06514	3.8
171.08003	0.9
181.06540	3.2
182.07271	2.8
183.08075	5.9
184.08842	1.5
185.05984	9.9
185.09627	1.2
186.06691	1.1
187.07567	1.1
193.06470	0.8
194.07291	1.4
195.08096	0.7
196.03632	0.9
196.05151	4.4
197.04175	0.9
197.06000	16.9
197.09663	1.7
198.06787	0.9
199.07512	1.7
200.08336	4.1
201.09085	1.3
203.07040	2.5
210.06726	2.2
211.07549	9.7
212.08334	39.0
213.05470	16.3
213.08788	1.5
215.10632	5.0
225.09090	5.1
227.07077	2.1
227.11787	1.9
228.07826	33.4
229.08545	1.0
239.07050	1.2
243.10185	60.6
244.10518	0.9
253.08481	1.4
255.11385	2.5
256.07224	0.9
256.12119	2.7
271.09674	100.0
271.13928	5.4
272.10080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Imperatorin
Peak:m/z	Relative Intensity
69.07071	17.1
70.74212	1.2
76.29249	0.6
91.05487	1.7
93.71433	0.5
103.05473	1.3
129.03349	2.3
131.04930	8.0
147.04413	35.2
157.02869	3.0
159.04422	3.1
175.03922	10.8
185.02336	2.4
203.03397	100.0
204.03716	1.4
204.48555	0.7
212.08247	1.3
215.03467	1.4
243.10136	2.5
249.25096	0.6
263.48306	0.6
271.09637	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	271.0966
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01675	0.5
55.01871	2.3
59.17629	0.4
67.02360	0.4
69.03468	0.8
69.26639	4.5
70.06622	1.3
79.05512	0.6
81.03452	0.6
81.07102	1.1
82.49496	0.4
91.05534	1.2
93.07107	0.7
95.05016	1.2
95.08688	0.5
98.21538	1.0
101.46053	0.4
105.07073	0.8
107.04958	5.1
110.07229	0.5
115.05485	0.9
119.05009	1.0
120.11256	0.5
121.06617	0.7
123.04379	0.5
129.07045	1.0
137.06039	0.6
141.06995	11.6
143.08643	0.7
145.10129	0.7
149.06006	0.6
149.09666	0.7
151.11169	0.6
152.06195	2.7
153.06990	16.8
154.07791	1.1
155.05965	0.5
155.08574	9.5
157.10153	0.7
165.07005	27.2
168.05731	2.5
168.09473	0.5
169.06532	2.2
169.10115	0.7
177.05498	2.1
181.06488	7.1
182.07321	2.0
182.21107	0.5
183.08064	9.9
185.06073	0.9
193.06448	8.6
194.07205	0.9
196.05228	5.2
197.06003	1.5
197.13232	0.6
199.07498	0.6
205.14296	0.5
206.79431	0.5
209.06172	0.5
210.06731	1.4
211.07558	41.4
212.08044	0.8
213.05386	1.4
213.09093	0.5
221.05984	0.9
223.03859	0.8
225.09129	0.6
227.07106	0.8
228.07628	1.2
239.07034	100.0
240.07513	2.1
243.10269	1.1
253.08662	0.7
256.07312	2.5
271.06100	4.8
271.09631	34.1
271.16998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
51.26947	0.4
53.03952	1.7
55.01887	1.4
57.07096	0.5
59.04914	0.5
67.05506	0.7
68.99790	1.5
69.03429	0.6
69.07088	0.7
69.21916	4.1
72.09592	0.4
77.03932	0.8
79.05501	3.1
81.03391	0.5
81.07047	1.7
83.08631	0.5
85.06502	0.5
91.05484	2.1
93.07045	2.9
95.04970	1.6
95.08629	1.6
103.05473	6.0
105.04513	1.0
105.07036	3.4
107.04965	100.0
107.08597	1.2
108.05275	0.8
109.10159	1.2
112.02181	0.7
119.04897	0.8
119.08578	1.3
121.06515	3.8
121.10143	1.1
123.04444	0.5
123.11701	0.5
129.07033	1.0
131.04958	7.1
131.08592	1.0
133.06462	1.0
133.10132	1.2
135.04457	1.5
135.11644	0.6
137.05989	0.7
141.06964	0.7
145.10100	0.9
147.04433	1.5
147.11678	0.8
149.06003	3.0
149.13345	0.5
152.06210	1.1
153.06987	2.7
155.08557	1.2
159.04419	4.0
159.11710	0.9
165.07028	6.3
168.05757	1.0
169.06514	0.8
173.13286	0.6
175.14821	0.7
177.05486	60.2
181.06487	1.4
182.07275	0.8
183.08089	3.7
185.06000	0.8
187.14757	1.0
193.06535	1.3
196.05215	1.2
197.05969	1.2
199.07707	0.5
201.16385	0.8
210.06602	0.8
211.07558	5.4
212.08243	0.9
213.05479	0.8
215.17967	0.8
221.06010	0.9
225.08942	0.9
229.08502	0.7
239.07050	2.5
240.07863	0.6
243.10182	2.0
253.08577	3.9
256.07449	0.6
271.07016	0.4
271.09695	10.5
271.14340	0.7
271.17001	1.0
271.24179	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	271.0964
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01862	2.8
55.05485	0.9
55.97153	1.0
56.88203	0.8
57.45950	0.8
57.81674	0.7
58.35320	0.8
63.06768	0.8
66.40141	0.9
69.77033	5.2
79.05488	1.1
81.07035	2.4
85.02922	1.0
86.76582	0.8
89.32319	0.8
91.05457	2.3
93.07046	1.0
95.08617	1.1
105.07026	1.5
109.10149	1.5
115.05396	2.2
119.08593	1.2
129.06937	0.9
131.04936	1.0
141.06982	4.7
145.06490	2.6
147.04512	1.2
152.06197	3.8
153.07002	11.5
154.07759	3.8
155.08575	8.3
157.06467	3.3
159.08020	1.3
165.07018	27.1
166.07686	2.4
167.08548	3.8
168.05698	5.6
169.06479	4.1
170.07370	1.1
172.08833	1.7
177.06984	1.1
178.07753	1.6
179.08514	1.7
181.06505	13.4
182.07283	12.3
183.08060	24.2
184.08682	1.5
185.05992	7.9
185.09518	1.1
187.07597	2.0
193.06450	3.7
194.07294	2.2
195.08084	4.0
196.05275	1.9
197.05972	13.2
197.09628	10.1
198.06779	6.7
199.07523	6.9
200.08319	7.6
200.74602	0.9
209.05984	3.9
210.06770	14.5
211.07558	39.2
212.08325	36.5
212.10420	1.0
213.05470	12.2
213.09052	4.0
214.06230	1.5
215.07091	1.0
215.10710	5.5
225.05501	1.0
225.09093	14.7
227.07094	5.9
228.07820	34.9
229.08545	1.9
239.07008	3.1
241.08611	6.3
242.09325	3.1
243.10176	55.5
256.07227	1.6
271.09650	100.0
271.24130	3.0
272.10202	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	271.0966
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01867	2.2
59.23170	1.2
71.42126	1.0
80.38273	0.9
81.06977	0.9
85.02923	1.1
91.05466	1.3
93.23069	1.1
96.78233	1.0
107.04923	1.1
115.05499	1.2
129.06960	2.1
141.06973	5.6
144.05696	1.1
145.06485	1.7
147.04413	1.3
152.06184	3.2
153.07014	15.6
154.07765	2.9
155.08583	8.0
157.06461	7.8
158.07335	1.6
159.08017	1.4
164.20180	1.0
165.07005	31.7
166.07776	2.6
167.08534	5.2
168.05762	8.8
169.06425	6.9
169.10083	1.4
170.07259	1.8
171.08064	1.3
172.08780	1.8
172.27405	1.1
173.06142	1.0
174.06845	1.1
174.48178	1.1
178.07814	1.5
179.08562	2.4
181.06480	18.7
182.07281	14.1
183.04405	1.2
183.08076	29.5
184.08762	1.6
185.05991	15.4
185.09592	1.1
187.07492	1.5
193.06490	3.9
194.07216	2.0
195.08109	4.7
196.05244	2.2
197.05986	16.6
197.09642	9.8
198.06741	5.0
199.07564	5.9
200.08330	9.7
205.56786	1.0
209.03435	0.9
209.06029	3.9
210.06786	14.9
211.07553	47.5
212.08331	40.8
213.05476	13.4
213.09082	4.6
213.61542	1.1
215.10706	6.5
216.39053	0.9
223.07562	1.1
225.05438	3.1
225.09103	14.5
227.07059	8.1
228.07817	41.5
229.08461	2.7
239.07060	17.8
240.07874	1.5
241.08614	3.4
242.09418	2.8
243.10188	56.1
244.10588	1.7
255.06496	1.9
256.07336	8.1
271.09656	100.0
271.24240	1.9
272.10428	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	271.1329
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01865	1.0
55.05505	0.8
55.80794	0.6
59.75856	0.7
60.49167	0.9
63.82075	0.8
66.00660	0.7
67.05504	1.1
70.00254	2.8
79.05488	1.2
81.07050	1.8
87.56287	0.6
93.07046	0.9
95.08622	2.6
105.07052	1.6
107.08598	1.8
109.06543	0.7
114.16755	0.7
119.08588	1.8
121.10120	1.0
131.08540	1.2
133.10190	1.2
139.98253	0.7
141.06929	0.7
145.06549	0.7
145.10106	1.3
147.11626	0.8
152.06421	1.1
153.06973	2.0
155.08656	0.7
157.10193	1.1
159.11713	1.1
161.06004	1.2
161.13239	2.3
165.06966	4.3
166.07753	1.2
167.08528	1.0
168.05687	0.8
171.08067	0.8
178.07732	0.9
179.08536	2.0
181.06448	3.5
182.07266	1.2
183.08052	2.3
185.06032	1.9
194.07294	2.0
195.08092	3.1
196.05278	1.3
196.08803	2.5
197.06003	3.2
197.09618	2.5
198.06754	0.8
209.06102	1.4
209.09621	5.7
211.07599	4.3
212.08311	8.1
213.05498	2.0
213.09097	6.4
213.16296	1.0
215.10658	1.5
224.04689	0.8
224.08344	6.5
225.09113	31.5
226.09608	1.0
227.10739	1.3
228.07806	4.7
228.11362	2.3
238.09869	0.8
239.06979	2.0
239.10643	8.6
240.11456	54.3
241.08632	11.5
241.12044	1.1
243.06554	0.8
243.10223	12.3
255.10161	3.3
256.07483	1.6
256.10928	23.7
271.09726	21.8
271.13293	100.0
271.24179	2.8
272.13629	1.1
294.35648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.87729	0.3
53.03949	1.0
55.01875	1.0
57.03437	1.6
61.02935	4.0
65.03944	2.3
69.03090	0.4
69.03436	5.5
71.05001	0.8
73.02927	1.7
79.05490	0.8
81.03418	2.4
82.06572	0.4
85.02913	17.7
87.04474	0.4
91.03959	1.2
92.05015	6.2
93.03419	1.2
95.04980	1.1
97.02901	5.3
99.04462	1.2
103.03934	1.2
106.06561	4.5
108.04477	0.4
109.02905	1.7
109.05259	2.4
109.27750	0.3
110.06050	100.0
111.06391	0.6
120.04456	1.5
122.06043	4.4
127.03903	3.0
134.05014	0.6
134.06027	10.1
136.07646	0.5
145.04968	3.5
146.06006	1.6
148.07578	0.6
151.62762	0.3
152.07091	4.1
162.05545	0.4
164.07164	0.6
174.05476	0.3
176.07088	1.5
181.91768	0.3
188.07199	0.4
190.08598	0.5
199.09978	0.3
212.10722	0.7
218.08235	0.5
229.08484	0.3
236.09233	1.8
239.07028	0.4
241.64114	0.3
254.10143	2.2
257.10474	0.5
272.10040	2.0
272.13297	2.1
273.05890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.21134	0.3
53.03957	0.5
55.01883	0.5
56.96565	5.9
57.03442	2.3
59.04992	0.5
60.05652	0.6
61.02934	2.4
65.03609	0.6
65.03933	5.3
67.05518	0.5
69.03426	3.8
69.87148	1.8
70.06596	4.2
71.04963	0.4
71.95265	0.5
72.08144	1.1
73.02917	1.7
77.71214	0.4
80.05016	1.0
81.03409	0.7
84.96025	1.8
85.02911	9.9
86.09711	1.1
87.04466	0.9
92.05007	59.4
93.05798	5.0
94.06567	9.0
94.07133	0.6
96.04449	0.3
97.02898	3.7
97.16461	0.5
98.97588	5.9
99.04420	0.7
101.00865	0.6
101.02335	0.6
103.03981	0.4
106.40012	0.4
107.04918	0.8
109.02888	1.0
110.01286	0.6
110.06044	100.0
110.97583	0.8
111.06400	0.5
112.99145	0.6
115.00659	0.7
116.07085	0.7
116.98643	1.5
117.93439	0.3
118.19170	0.4
119.01909	0.5
122.00513	0.3
124.99123	1.3
127.03898	2.3
136.06197	0.7
140.98550	0.7
143.00139	2.0
143.01828	0.8
143.05530	0.4
144.98112	0.4
145.04950	0.9
152.07060	3.2
153.05774	0.9
155.01912	0.5
158.99678	2.2
161.01207	0.9
161.02928	0.9
161.06577	1.6
162.06360	0.4
170.05077	0.4
170.99658	0.7
175.11865	0.9
176.07175	0.4
177.00706	0.7
178.04930	0.8
182.03371	1.0
185.02815	0.4
191.03891	1.5
200.60083	0.3
201.00696	0.5
201.12274	0.7
203.04166	0.3
205.00195	0.5
206.06880	0.4
212.09175	0.5
218.08217	0.4
219.01729	0.5
223.01280	0.4
225.13414	0.3
230.98141	0.9
231.07314	0.7
233.05054	0.4
248.99178	2.5
249.08330	0.8
254.10248	3.1
267.00348	0.4
272.11307	24.9
272.17270	2.3
273.09302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1282
Annotation	Carbazomycin C
Peak:m/z	Relative Intensity
55.01865	0.3
55.05505	0.2
55.51608	0.2
67.05530	0.2
69.07043	0.2
69.23595	0.6
69.24015	1.3
70.05916	0.2
70.47243	0.2
73.95262	0.2
76.99029	0.2
79.05477	0.6
80.04987	0.2
80.16006	0.2
81.07050	0.5
82.07391	0.2
86.09628	0.2
88.72103	0.2
91.05470	0.7
93.07025	0.4
95.08624	0.3
105.07032	0.8
106.03757	0.2
106.06548	0.5
107.04951	3.8
107.07311	0.3
108.05305	0.2
110.06025	0.2
117.05751	0.3
120.08125	1.0
122.09656	0.2
124.07602	0.4
131.04924	0.2
132.08073	0.9
133.08870	0.5
134.09636	0.6
136.07558	0.5
147.04449	0.3
153.01836	0.6
153.07071	0.3
153.52409	0.2
156.08052	0.2
157.06483	0.2
157.31168	0.2
166.07338	0.3
166.08638	0.6
167.08565	0.4
168.07983	0.3
169.06450	0.3
170.09567	0.3
171.08028	0.4
172.07460	0.2
180.08093	0.5
181.06480	0.5
181.08842	0.4
182.09657	0.5
183.06653	0.3
183.08090	0.2
184.07600	0.6
184.11159	0.3
185.08272	0.5
187.03958	0.4
188.04207	0.5
194.09689	0.9
195.08029	0.7
195.10461	0.5
196.07533	1.0
196.11215	2.6
197.08342	3.6
198.06427	0.3
198.09142	9.5
199.09927	11.6
200.10721	2.0
201.09068	0.4
208.11218	0.5
209.12019	0.3
210.09175	1.6
210.12447	0.2
211.07756	0.3
211.09900	3.4
212.10707	22.5
213.11470	4.8
214.06151	0.2
216.07387	0.2
224.10695	0.4
225.05400	0.3
226.12256	6.0
228.04141	0.2
229.04524	2.1
229.08490	0.7
239.09303	1.2
243.06427	0.3
244.06885	2.9
254.11758	6.0
257.08133	1.3
257.10471	24.9
258.10834	0.3
272.06454	3.2
272.10483	3.9
272.12808	100.0
272.24210	1.1
273.07553	0.3
273.13193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1283
Annotation	Demethylmorphine
Peak:m/z	Relative Intensity
55.01876	0.1
55.05492	0.2
59.44313	0.1
67.05510	0.3
70.06584	0.2
71.47907	0.1
79.05486	0.9
81.07053	0.4
85.02892	0.2
89.03928	0.1
91.05485	0.8
93.07041	0.5
93.77360	0.2
94.06546	0.1
95.04972	0.2
95.08604	0.3
104.51041	0.1
105.07036	1.0
106.06539	0.6
106.07267	0.2
107.04953	4.5
107.07305	0.1
107.08540	0.2
109.06503	0.2
109.10104	0.1
110.06059	0.3
114.03805	0.1
115.05438	0.2
117.05779	0.3
117.07071	0.2
118.06564	0.3
119.04961	0.3
119.07320	0.2
119.08595	0.2
120.08119	0.8
120.08883	0.2
121.06497	0.2
124.07579	0.4
129.07025	0.2
130.06529	0.1
131.04915	0.5
131.08638	0.1
132.08115	1.0
133.08875	0.8
134.09648	0.5
134.10539	0.2
136.07591	0.7
141.06923	0.1
143.08542	0.2
144.08093	0.3
145.06474	0.5
145.10133	0.2
147.04393	0.4
150.09143	0.3
152.06247	0.2
153.01848	0.5
153.06979	0.4
154.07417	0.3
155.08629	0.1
157.06490	0.4
159.08025	0.2
160.07588	0.3
161.08340	0.2
165.06990	0.4
166.07391	0.5
166.08658	0.5
167.08557	0.3
168.05777	0.2
169.06474	0.3
170.09666	0.4
171.08093	0.6
172.07613	0.4
177.06879	0.2
180.08101	0.4
181.06468	0.4
181.08853	0.5
182.07263	0.2
182.09689	0.4
183.06680	0.6
183.08186	0.3
184.07529	0.8
184.11255	0.4
185.08350	0.5
186.09024	0.2
187.03876	0.5
188.04221	1.0
194.09615	0.8
195.08046	0.9
195.10445	0.5
196.07536	1.2
196.11209	2.2
197.05859	0.4
197.08354	4.5
198.06328	0.3
198.09149	9.7
199.09924	12.3
200.10680	2.1
208.11220	0.3
210.09157	1.6
211.07809	0.2
211.09921	3.5
212.10707	24.0
213.09125	0.4
213.11470	5.0
214.06351	0.1
216.07370	0.2
224.10622	0.3
225.05330	0.2
226.12276	6.5
227.07094	0.2
227.12706	0.2
228.04152	0.5
229.04543	2.7
229.08392	0.7
230.11897	0.3
237.12744	0.2
239.07008	0.4
239.09448	1.1
240.07407	0.3
241.08604	0.2
243.06448	0.2
244.04335	0.2
244.06868	4.0
254.11766	6.4
257.08139	1.4
257.10471	24.9
258.10861	0.4
272.06448	3.7
272.10464	3.9
272.12808	100.0
273.07526	0.3
273.13223	1.4
278.81375	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	273.1123
Annotation	Eulophiol
Peak:m/z	Relative Intensity
50.07382	0.7
53.03935	2.5
55.01859	1.7
55.05493	2.8
57.03427	1.1
57.07045	1.1
64.24606	1.0
65.03947	1.1
67.05494	3.4
68.99803	1.3
69.03423	2.0
69.07080	4.0
71.04987	1.2
71.48685	1.5
75.04436	0.9
79.05481	4.0
81.07055	7.9
83.04955	1.3
83.08611	1.8
85.02900	2.5
89.03902	1.2
91.05483	17.5
93.07046	6.2
95.04972	4.8
95.08609	6.0
97.10137	1.4
103.05465	6.6
105.07027	5.2
106.04159	0.9
107.04962	7.4
107.08579	5.0
109.06496	1.1
109.10142	4.4
111.04407	2.0
111.08046	0.9
111.11718	1.3
114.03766	1.6
115.05482	1.2
117.03384	1.7
117.07007	1.8
119.04938	2.8
119.08587	4.1
121.02852	1.0
121.05676	1.5
121.06509	25.8
121.10155	5.1
123.04427	8.2
123.11674	2.2
124.05177	1.2
125.06029	1.3
128.06194	3.1
129.06944	2.0
131.04927	5.9
131.08537	3.4
133.02843	1.4
133.10126	3.6
134.03632	2.7
135.04398	2.9
135.08081	1.1
135.11646	2.4
137.06000	8.0
137.13217	1.2
141.06966	2.9
142.07790	2.2
143.08545	2.3
145.06445	1.6
145.10095	2.3
147.04376	1.9
147.11699	1.8
148.05127	1.4
149.05978	22.9
149.09637	0.8
149.13225	3.7
150.06691	3.2
151.07545	4.7
152.06201	8.9
153.01840	1.5
153.06990	18.0
154.07677	0.8
155.04919	1.1
155.08540	2.9
156.05733	1.1
157.06516	1.9
157.10135	1.8
158.74504	0.8
159.08064	1.9
159.11664	1.8
161.05952	1.4
161.09633	1.5
161.13226	1.7
163.07573	3.9
163.14845	1.7
165.06969	9.2
166.07634	1.0
167.08606	5.3
169.01309	4.6
169.06473	6.6
170.07387	6.1
171.07993	2.6
171.11655	1.2
174.06879	1.3
175.14795	1.3
177.06975	1.0
177.09117	1.1
177.16368	1.3
180.05699	6.1
181.06487	30.3
182.07265	9.1
183.04367	0.9
183.08046	3.4
184.05154	2.2
184.08813	1.3
185.05968	2.1
185.09630	5.3
185.13261	0.8
187.07498	2.3
187.14874	1.6
189.09093	2.7
195.06314	1.3
195.08057	20.0
196.08850	10.0
197.06023	8.7
197.09686	1.9
198.06790	16.1
199.07518	6.3
201.09109	3.3
203.17815	1.0
205.06398	0.9
208.05174	2.8
209.06001	5.7
210.06760	5.6
211.07465	2.7
212.04662	0.7
212.08333	15.1
213.03633	1.3
213.05702	1.4
213.09132	36.3
213.11002	1.5
215.06894	1.7
215.14233	0.9
217.12372	1.1
217.19447	1.2
223.07475	4.2
225.05389	1.0
226.06219	8.2
227.06976	3.8
227.10667	64.9
229.08960	1.0
230.05800	1.1
240.07771	3.3
241.03186	1.5
241.08589	27.9
242.09346	3.7
245.08034	5.1
255.06511	2.2
255.10075	1.9
255.17455	1.0
258.08679	2.3
258.11087	1.1
273.11151	100.0
273.18417	3.9
273.22086	2.5
273.25543	5.6
274.11447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05499	1.5
67.05481	2.3
68.99806	1.5
69.03429	1.1
69.07064	1.6
71.03978	1.7
75.58782	0.8
79.05494	1.6
81.07053	3.9
83.08589	1.0
91.05460	2.6
93.07015	3.0
95.04932	1.1
95.08637	4.7
103.05470	0.9
105.07040	3.9
107.04952	1.7
107.08568	2.9
109.02877	0.8
109.06514	1.0
109.10136	1.5
115.05420	1.0
117.06999	1.0
119.04932	0.9
119.08578	2.6
120.04466	1.6
121.06485	3.1
121.10137	1.5
121.95558	0.7
123.04427	1.6
123.11755	0.9
123.74643	0.7
124.54701	0.8
127.37366	0.7
128.06194	1.0
129.07054	0.9
131.08530	1.1
132.61203	0.7
133.10101	1.4
135.11693	1.7
137.02318	1.0
137.05908	0.7
141.06944	1.3
142.07680	1.5
143.08528	1.4
145.10205	1.7
147.04381	1.9
149.05946	3.1
151.07538	2.1
152.06194	2.2
153.01840	1.3
153.06969	5.5
155.08502	1.7
156.05580	0.8
157.06461	1.4
157.10117	1.1
158.07233	1.0
159.08141	0.8
159.11748	0.9
165.07008	3.7
169.06424	3.5
170.07289	6.3
171.08051	7.0
171.11679	1.1
173.05948	0.9
173.13292	1.3
174.06706	0.8
174.90884	0.7
175.07567	1.3
180.05592	1.5
181.06479	11.0
182.07292	10.2
183.08072	5.8
185.09641	5.4
187.07454	1.4
189.09033	1.4
189.16318	0.8
195.08044	5.5
196.08835	1.9
197.05992	9.3
198.06772	12.6
199.07509	3.1
201.09100	1.0
203.10674	1.2
209.05934	1.9
210.06725	1.8
211.07507	3.0
212.04742	1.1
212.08333	4.3
213.09109	67.7
214.09494	1.1
215.07063	3.8
217.12218	0.8
217.19472	0.9
223.07520	1.9
224.08240	1.3
225.05510	4.4
226.06213	4.8
226.92918	0.7
227.06992	8.6
227.10600	1.3
229.08585	1.9
230.09238	1.6
233.66624	0.7
238.45531	0.7
239.07018	1.7
240.07832	15.3
241.08597	49.6
242.09387	11.7
243.06519	5.7
245.08041	1.8
245.11688	3.1
255.10223	1.7
255.21121	1.2
257.08130	3.6
258.08862	12.3
258.11368	0.9
271.09738	0.8
273.05881	3.0
273.11182	100.0
273.18420	2.8
273.22156	2.8
273.25635	1.4
274.11407	1.2
285.81238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03943	2.3
55.01865	2.9
55.05510	4.8
57.19667	1.0
61.54237	0.9
65.03948	1.0
67.05508	7.1
68.99791	1.2
69.03436	1.4
69.07061	3.9
69.44858	1.4
69.45255	4.3
71.05010	1.1
71.08633	1.1
77.03914	0.9
79.05500	7.0
81.03426	2.0
81.07066	6.8
83.04957	1.2
83.08611	2.3
85.02899	3.1
87.62242	0.9
88.07612	0.9
89.83131	0.9
91.05485	28.7
93.07044	8.6
95.04969	8.6
95.08611	6.1
97.10199	1.0
99.04452	1.1
103.05476	13.5
105.04531	1.0
105.07038	8.8
107.04957	13.7
107.08600	5.4
109.06553	4.8
109.10156	2.9
111.04445	2.4
115.05500	1.4
117.07024	5.2
118.04211	1.0
119.04982	4.8
119.08602	5.6
121.02893	1.1
121.06508	43.6
121.10154	3.0
123.03694	1.3
123.04446	12.4
123.08074	2.4
124.05185	1.6
125.05959	2.0
128.06233	1.2
129.07054	4.2
130.07784	1.0
131.04932	11.9
131.08551	5.9
133.02853	2.8
133.06471	2.6
133.10103	2.8
134.03612	4.9
135.04431	9.1
135.08049	4.2
135.11668	1.8
137.05984	20.1
141.06996	2.4
142.07805	2.8
143.08565	3.6
145.06517	2.5
145.10115	4.8
147.04439	1.6
147.08038	2.6
147.11711	2.2
148.05190	4.0
149.05989	37.1
149.09613	1.0
149.13239	1.5
150.06790	5.0
151.07564	13.9
152.06221	12.5
153.07008	22.9
154.07695	1.8
155.04900	1.3
155.08537	2.9
157.06512	3.1
157.10130	2.8
159.08115	1.8
159.11725	2.6
160.05135	1.3
161.05988	2.5
161.09616	2.7
161.13246	2.7
163.07567	14.3
164.08287	1.3
165.06985	7.8
166.07765	1.4
167.08604	5.6
168.05721	1.7
169.06508	8.6
170.07300	9.5
171.08118	2.2
171.11687	1.8
174.06781	1.3
175.07544	5.5
175.11223	1.1
177.06934	1.9
177.09090	2.4
180.05656	5.0
181.06490	33.1
182.07281	10.4
183.08049	3.4
185.05937	2.2
185.09616	6.7
187.07542	4.2
187.14880	1.2
189.09138	1.9
189.16295	1.1
195.08061	16.4
196.08801	1.6
197.05994	13.3
198.06757	19.5
199.07587	5.2
201.05505	1.6
208.05255	4.4
209.06004	5.7
210.06808	6.4
211.07567	4.7
212.08322	6.1
213.09117	44.6
213.12450	1.7
215.07033	2.5
217.12367	1.1
217.19489	1.3
223.07558	8.2
224.08344	2.1
225.05426	2.4
226.06242	8.2
227.07025	3.8
227.10683	8.2
229.08545	1.2
236.64355	1.0
239.07141	1.4
240.07790	8.8
241.08609	37.7
242.09384	8.0
243.06561	0.9
245.08083	1.2
245.11917	2.0
245.19089	1.6
255.10139	7.1
255.17346	1.4
257.08185	2.1
258.08875	7.1
273.11224	100.0
273.18506	19.3
273.25854	6.3
274.27475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
54.45068	0.9
55.01854	2.9
55.05515	9.9
57.07050	3.1
58.70874	1.0
67.05495	12.1
67.28924	1.1
69.03410	1.7
69.06732	1.5
69.07070	15.3
71.04963	1.4
79.05509	8.7
81.03390	1.6
81.06613	1.8
81.07058	29.2
83.04957	1.7
83.08607	5.1
85.02897	1.8
91.05482	12.1
93.07045	16.2
95.04958	2.9
95.08613	27.2
96.18481	1.0
97.06525	1.6
97.10150	3.3
103.05457	1.4
105.07038	19.3
107.04929	4.3
107.08588	18.8
109.02811	1.2
109.06504	1.7
109.10167	18.2
111.04432	1.3
111.08037	1.1
111.11668	1.5
115.05447	1.7
117.07043	4.9
119.04907	1.5
119.07842	1.3
119.08595	15.7
121.06478	3.5
121.10148	14.5
123.04409	1.3
123.08058	1.4
123.11713	5.4
128.06192	3.4
129.06970	2.7
131.04858	2.1
131.08568	8.3
133.06435	2.1
133.10161	8.8
135.08041	1.8
135.11687	8.9
137.05980	2.1
137.13196	3.9
141.06940	2.7
142.07771	1.9
143.08606	5.7
145.06438	1.8
145.10109	6.3
147.04362	3.0
147.08009	2.9
147.11703	8.9
148.07468	1.2
149.05983	5.1
149.09581	1.6
149.13249	8.9
151.07518	2.1
151.14755	1.5
152.06209	5.5
153.05997	1.0
153.07011	13.2
155.08606	1.9
157.06517	2.1
157.10068	3.8
159.08005	1.5
159.11755	5.3
161.05986	5.8
161.09578	3.3
161.12233	0.8
161.13275	8.8
163.11195	1.1
163.14833	6.8
165.06982	9.5
166.07674	1.4
167.08595	5.2
169.06422	3.7
169.10092	1.2
170.07236	4.5
171.08014	3.0
171.11613	3.1
173.13174	1.2
175.11163	1.5
175.14752	3.4
177.16364	4.0
180.05713	3.3
181.06491	25.2
182.07207	6.2
183.08060	5.6
184.05188	1.4
185.05917	2.8
185.09619	4.5
185.13177	1.8
187.07355	1.1
187.14751	1.5
189.12724	1.7
189.16362	4.3
191.17839	1.3
195.08072	15.6
196.08871	5.8
197.06006	7.3
197.09671	1.5
197.13251	1.3
198.06770	10.3
199.07471	3.9
199.09506	1.4
199.14847	1.4
200.10156	2.0
201.12617	1.3
203.17992	5.4
209.05963	7.1
210.06668	1.0
211.07468	4.1
211.09442	1.0
211.14680	1.2
212.08318	10.3
213.05568	1.7
213.09126	37.9
213.10968	1.9
213.12592	1.5
213.16351	1.4
215.03352	1.2
215.07056	1.3
215.14232	1.3
217.19440	6.3
223.07475	4.1
224.08263	2.1
225.05408	1.7
226.06102	4.5
227.07086	6.1
227.10649	11.1
227.14169	1.6
227.17975	1.5
237.16310	1.7
240.07826	6.3
241.08598	58.2
242.09369	13.9
243.02979	1.1
243.06447	2.7
245.08072	1.3
245.18919	1.2
255.07613	1.4
255.10132	22.9
255.17320	3.2
258.05124	3.2
258.08694	6.8
258.11087	2.0
273.07645	6.2
273.11115	100.0
273.18558	15.4
273.22134	3.0
273.25760	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	273.1122
Annotation	Eulophiol
Peak:m/z	Relative Intensity
55.01864	1.6
55.05499	1.5
67.05481	2.3
68.99806	1.5
69.03429	1.1
69.07064	1.6
71.03978	1.7
75.58782	0.8
79.05494	1.6
81.07053	3.9
83.08589	1.0
91.05460	2.6
93.07015	3.0
95.04932	1.1
95.08637	4.7
103.05470	0.9
105.07040	3.9
107.04952	1.7
107.08568	2.9
109.02877	0.8
109.06514	1.0
109.10136	1.5
115.05420	1.0
117.06999	1.0
119.04932	0.9
119.08578	2.6
120.04466	1.6
121.06485	3.1
121.10137	1.5
121.95558	0.7
123.04427	1.6
123.11755	0.9
123.74643	0.7
124.54701	0.8
127.37366	0.7
128.06194	1.0
129.07054	0.9
131.08530	1.1
132.61203	0.7
133.10101	1.4
135.11693	1.7
137.02318	1.0
137.05908	0.7
141.06944	1.3
142.07680	1.5
143.08528	1.4
145.10205	1.7
147.04381	1.9
149.05946	3.1
151.07538	2.1
152.06194	2.2
153.01840	1.3
153.06969	5.5
155.08502	1.7
156.05580	0.8
157.06461	1.4
157.10117	1.1
158.07233	1.0
159.08141	0.8
159.11748	0.9
165.07008	3.7
169.06424	3.5
170.07289	6.3
171.08051	7.0
171.11679	1.1
173.05948	0.9
173.13292	1.3
174.06706	0.8
174.90884	0.7
175.07567	1.3
180.05592	1.5
181.06479	11.0
182.07292	10.2
183.08072	5.8
185.09641	5.4
187.07454	1.4
189.09033	1.4
189.16318	0.8
195.08044	5.5
196.08835	1.9
197.05992	9.3
198.06772	12.6
199.07509	3.1
201.09100	1.0
203.10674	1.2
209.05934	1.9
210.06725	1.8
211.07507	3.0
212.04742	1.1
212.08333	4.3
213.09109	67.7
214.09494	1.1
215.07063	3.8
217.12218	0.8
217.19472	0.9
223.07520	1.9
224.08240	1.3
225.05510	4.4
226.06213	4.8
226.92918	0.7
227.06992	8.6
227.10600	1.3
229.08585	1.9
230.09238	1.6
233.66624	0.7
238.45531	0.7
239.07018	1.7
240.07832	15.3
241.08597	49.6
242.09387	11.7
243.06519	5.7
245.08041	1.8
245.11688	3.1
255.10223	1.7
255.21121	1.2
257.08130	3.6
258.08862	12.3
258.11368	0.9
271.09738	0.8
273.05881	3.0
273.11182	100.0
273.18420	2.8
273.22156	2.8
273.25635	1.4
274.11407	1.2
285.81238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03934	4.0
55.01872	7.0
55.05516	14.8
57.03422	3.0
65.03947	5.7
67.05505	73.4
69.03415	1.4
69.07072	7.6
77.03873	1.2
79.05493	28.1
81.03415	3.6
81.07053	31.3
83.04979	3.1
83.08601	4.0
84.16329	0.9
91.05486	29.5
93.06490	1.6
93.07041	20.7
93.20121	1.0
95.04969	100.0
95.08605	11.5
97.06507	7.4
97.10130	1.4
103.05463	1.8
105.06403	1.9
105.07037	22.2
107.04948	21.2
107.08596	8.6
109.02906	1.2
109.06526	14.7
109.10129	3.1
111.08095	3.3
115.05428	2.9
116.06264	1.4
117.07033	12.3
118.42114	1.1
119.04928	2.2
119.08589	13.6
121.06493	11.6
121.10145	4.6
123.04439	1.5
123.08049	2.7
128.06216	4.3
129.07027	6.4
130.07785	2.1
131.04892	1.6
131.08571	18.4
133.06494	7.2
133.10143	6.5
135.08073	3.1
135.11667	3.5
137.05930	2.8
137.09581	1.4
141.06989	1.6
142.07735	1.7
143.08548	13.3
144.05663	1.1
145.06479	2.8
145.10132	18.2
147.08049	11.6
147.11681	4.3
149.05971	3.4
149.09633	3.0
149.13289	1.3
149.44019	1.1
153.06976	2.2
155.08565	2.3
157.10107	5.0
159.08035	2.4
159.11703	6.2
161.09625	6.3
161.13240	1.8
163.03868	1.5
163.07550	1.7
163.11179	3.3
165.07001	2.0
167.08607	1.6
169.10124	2.5
171.11699	3.4
173.09616	3.2
173.13213	2.6
175.11166	2.0
177.09079	1.9
177.12785	2.3
181.06444	3.4
181.10115	1.8
185.09590	2.3
185.13310	2.4
187.11159	3.5
190.82536	1.3
195.08026	2.2
197.06076	1.5
198.06810	1.6
199.11169	1.5
205.12305	1.8
212.08270	1.1
213.09102	4.0
213.16225	1.1
227.17973	2.3
237.16359	1.7
241.08604	7.7
242.09282	1.3
245.18993	2.9
255.17459	3.9
273.11240	10.6
273.18500	49.4
274.27341	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.61628	0.9
53.03943	2.5
55.01872	6.5
55.05514	12.3
55.88027	0.9
57.03423	1.9
57.07078	2.1
59.86085	0.9
64.20417	0.8
65.03912	1.4
67.05508	21.8
69.03421	3.0
69.07066	8.9
71.04984	2.5
79.05076	1.5
79.05492	22.5
81.03410	3.1
81.06591	1.7
81.07057	24.4
83.04972	3.5
83.08625	4.8
91.05482	30.8
93.07039	21.2
95.04968	8.9
95.08606	17.5
97.06536	3.6
97.10162	1.4
100.23544	1.0
103.05460	2.9
105.04494	1.0
105.07030	33.7
107.04969	10.4
107.08597	9.8
109.06545	6.5
109.10173	4.4
111.08093	2.5
115.03930	1.2
115.05473	2.7
116.06245	1.8
117.07008	18.0
119.04958	2.6
119.08587	21.7
119.09461	1.2
121.06506	9.5
121.10128	4.8
123.04446	1.3
123.08067	4.1
123.11666	1.1
128.06241	3.7
129.07024	10.6
130.07790	2.6
131.04929	1.2
131.08569	22.9
133.06499	10.6
133.10144	12.1
135.04477	1.1
135.08047	9.7
135.11678	3.4
137.09605	6.0
141.06984	1.9
142.07782	3.6
143.08557	12.5
144.09308	1.2
145.06483	3.9
145.10130	19.5
146.07349	1.2
147.08058	12.4
147.11679	6.6
149.06000	2.0
149.09610	7.5
151.07507	1.0
151.11157	1.9
153.07007	1.8
155.08542	3.1
157.06451	1.2
157.10139	10.7
159.08093	5.3
159.11702	8.3
161.09624	18.2
161.13281	2.5
163.07487	1.2
163.11203	2.4
163.14844	1.6
165.07025	1.2
167.08646	1.8
169.10173	2.3
171.08101	2.2
171.11697	8.8
173.09673	3.2
173.13268	3.1
175.11171	8.6
175.14693	1.2
177.09155	2.2
181.06496	2.5
181.10104	2.3
182.07355	1.3
183.11722	1.7
185.09657	3.6
185.13246	3.4
187.11203	3.2
187.14761	1.0
189.12744	3.3
191.10689	1.2
195.11763	1.8
197.06029	1.1
197.13300	1.6
198.06635	1.0
199.11224	3.3
199.14833	2.1
202.24359	1.1
203.10715	1.0
211.14960	1.2
212.08412	1.4
213.09132	3.6
213.12805	1.6
213.16394	2.4
217.12296	2.1
217.15996	0.9
217.19502	1.3
227.07043	1.5
227.17908	4.2
231.14012	0.9
231.17537	1.3
237.16423	4.1
241.08656	5.3
242.09482	1.5
245.18994	8.4
255.10144	2.5
255.17401	13.6
273.07825	2.1
273.11099	7.6
273.18509	100.0
273.29733	1.7
274.18851	1.1
274.27414	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.17840	0.6
51.02389	0.7
53.03936	2.8
55.01869	5.3
55.05278	0.8
55.05521	10.2
57.03424	2.0
57.07058	1.2
61.42529	0.7
64.98804	0.9
65.03957	1.2
67.05511	18.5
69.03418	1.6
69.06765	0.7
69.07072	7.2
69.22439	1.8
69.22852	5.8
71.04988	1.8
77.03935	1.4
79.05497	16.8
81.03410	2.6
81.07065	18.8
83.04976	3.0
83.08628	4.3
85.06531	1.7
91.05491	26.8
93.07049	17.5
95.04953	4.0
95.08057	1.4
95.08612	11.8
97.06526	7.0
97.10181	1.3
103.05464	2.8
105.04509	1.0
105.07038	27.9
107.04971	11.6
107.08595	8.6
109.06527	4.4
109.10159	4.7
111.08120	1.5
115.05459	2.6
116.06225	0.8
117.07028	12.8
119.04935	2.4
119.08589	17.9
121.06502	12.4
121.10197	3.7
123.04418	1.1
123.08060	3.3
123.11716	1.1
125.06007	1.2
128.06226	3.3
129.07007	9.5
130.07779	2.2
131.08575	21.4
132.05721	1.4
133.06509	9.5
133.10158	12.8
133.11136	1.5
135.08087	5.3
135.11664	2.1
137.09589	1.7
141.06924	1.1
142.07791	3.0
143.08575	11.2
144.09279	0.9
145.06487	2.8
145.10138	17.3
146.07291	1.3
146.10358	0.9
147.08076	12.3
147.11740	5.4
149.06013	1.4
149.09639	4.1
155.08543	3.1
156.09334	1.5
157.06488	1.7
157.10156	8.6
157.40770	1.0
159.08066	4.8
159.11710	9.3
161.09634	12.7
161.13289	3.1
163.07545	1.6
163.11217	2.7
167.08670	1.5
169.10091	1.7
170.07208	0.9
171.08136	1.3
171.11691	6.9
173.09631	3.3
173.13280	1.2
175.11203	6.6
175.14833	0.9
177.09097	3.3
177.12682	1.2
181.06511	1.5
181.10170	1.7
183.11688	1.2
185.06139	0.9
185.09653	1.7
185.13286	3.2
187.07503	0.9
187.11282	1.9
187.14726	1.2
189.09135	0.9
189.12764	2.7
189.16313	0.9
195.11769	1.8
197.13188	1.1
199.07503	1.0
199.11191	2.6
199.14882	2.1
201.12753	1.6
213.05415	0.8
213.09117	1.9
213.12737	1.7
213.16333	1.6
215.14270	0.8
215.18022	1.0
217.12187	1.3
227.06944	1.3
227.17915	4.4
237.16446	3.1
241.08704	3.9
242.09456	0.9
245.19058	8.6
255.17517	10.2
255.20992	1.3
273.07556	2.6
273.11075	4.6
273.18518	100.0
274.18918	1.9
274.27399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01869	2.3
55.05513	19.1
57.07065	6.4
59.04996	2.6
67.05505	24.0
69.07066	12.1
69.82375	9.1
71.04997	20.7
79.05497	23.4
81.03398	3.1
81.06593	3.8
81.07060	58.8
83.04984	2.1
83.08613	8.8
85.06546	8.9
89.05062	1.9
89.79176	2.1
91.05484	32.5
93.06483	3.9
93.07045	51.3
95.04977	10.8
95.08613	45.0
97.06528	6.4
97.10165	3.8
98.21465	2.2
99.08119	2.6
103.05463	3.6
105.07036	56.0
107.04958	9.0
107.08599	37.3
109.06519	22.9
109.10156	20.2
111.08082	19.5
113.09654	4.9
115.05424	3.3
117.07019	14.1
119.08589	58.0
121.06501	5.4
121.10148	25.9
123.08063	5.1
123.11731	18.9
125.09626	3.3
128.06235	4.9
129.07013	6.4
130.07808	4.3
131.08582	30.0
133.06451	3.1
133.10138	29.5
135.08102	3.6
135.11699	14.9
137.09610	4.3
137.13297	4.0
141.06973	3.5
142.07739	4.2
143.08578	17.2
144.09343	4.9
145.10135	54.1
147.08069	4.8
147.11687	24.3
149.09682	4.0
149.13248	6.3
151.11217	5.0
156.09370	3.7
157.10139	20.2
158.10942	4.6
159.08081	6.0
159.11700	59.5
161.09613	7.1
161.13287	19.1
163.11198	3.9
163.14821	4.1
169.10049	3.0
171.11726	17.1
173.09630	3.0
173.13260	23.1
175.11252	5.3
175.14815	6.2
177.12715	3.3
179.14439	2.9
185.13293	17.1
187.14847	7.9
189.12822	4.1
189.16394	17.8
199.14825	18.9
201.16481	2.5
203.14325	4.9
203.17995	6.1
213.09163	3.6
213.16367	11.2
215.17961	65.3
217.15956	11.0
227.17946	5.5
229.19492	7.4
241.08653	4.4
245.19052	2.7
255.17474	5.8
255.21111	55.4
273.11197	8.0
273.18536	40.6
273.22147	100.0
274.27438	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03938	2.6
55.05508	17.1
57.07075	8.1
65.03942	1.4
67.05509	25.1
69.07070	41.8
71.49117	1.2
71.49502	1.6
79.05490	15.3
81.07056	73.0
83.08617	14.8
91.05479	13.4
93.07040	40.9
95.00254	1.4
95.04935	2.3
95.08608	74.3
97.10172	11.3
103.20203	1.3
105.07032	27.7
107.08591	56.1
107.09317	3.1
109.10155	61.3
111.11697	3.0
117.06993	2.0
119.06048	1.4
119.08578	32.1
121.10139	42.5
123.11707	38.8
125.13301	1.8
131.08583	2.5
133.10132	19.8
135.10712	2.3
135.11696	30.5
137.13240	11.6
145.10097	3.8
147.11694	20.1
149.13257	48.9
151.14862	6.3
157.10248	1.5
159.11676	3.5
161.13254	32.1
163.14824	30.0
165.16408	2.4
172.53265	1.5
175.14809	14.5
177.16391	17.9
189.16377	23.4
191.17947	10.0
203.17957	19.2
217.19522	24.5
231.21049	3.8
241.08667	1.5
247.98286	1.5
255.17435	2.0
273.18402	4.8
273.22845	3.7
273.25763	100.0
274.27219	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	274.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45518	0.3
57.07077	7.2
57.53617	0.4
58.06587	0.6
62.06090	0.7
67.89631	0.3
70.06599	11.2
70.31410	0.9
70.31741	0.4
71.08627	3.3
85.10188	0.7
88.07631	15.6
89.83203	0.3
95.60232	0.3
102.09185	4.5
106.08678	9.0
125.33660	0.4
144.13184	0.3
178.37270	0.3
183.07672	0.4
196.74014	0.3
212.23761	0.4
214.09431	1.4
224.36542	0.4
230.24788	0.8
242.08994	3.9
256.26361	6.4
274.11533	1.4
274.27408	100.0
275.27798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07077	8.1
58.06584	0.8
62.06087	0.5
68.43475	0.3
70.06596	12.7
71.08628	3.3
85.10176	0.9
88.07633	17.6
102.09180	4.8
106.08670	8.9
110.80292	0.3
116.75987	0.3
167.20590	0.3
212.23755	1.1
230.24731	1.0
256.26343	6.2
274.27408	100.0
275.27832	1.6
279.66699	0.4
299.60159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	11.1
68.99479	0.6
69.03423	0.7
71.47623	1.5
71.95258	3.6
78.73691	0.7
82.99847	0.8
84.04505	1.1
84.08150	5.5
92.61855	0.6
98.13068	0.7
98.97590	100.0
101.00866	3.9
110.97564	1.8
112.99202	0.6
116.98628	32.9
117.89646	0.7
119.01945	4.6
128.98697	0.8
129.10281	1.9
130.08678	1.2
130.93312	1.5
134.99666	5.3
140.00180	1.1
143.01828	1.6
145.03465	1.4
147.11296	0.9
156.99431	0.7
161.02948	3.4
172.94353	4.8
173.02913	0.7
174.97656	1.1
185.02917	1.1
190.95418	2.6
198.97603	1.2
214.95416	3.4
215.00429	1.0
216.98721	3.1
229.05847	0.8
232.96472	4.0
256.96439	13.9
256.98880	1.0
274.97495	63.8
275.06000	2.6
275.17331	1.6
292.98563	23.1
293.06226	1.0
297.99158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.05027	1.3
56.96568	47.0
57.03436	1.8
60.05660	1.1
61.02922	1.6
63.06855	1.0
68.98289	1.1
69.03436	4.8
70.06587	4.5
70.53152	3.0
70.98125	38.5
71.04990	1.1
71.06917	1.3
71.95258	4.2
72.08160	7.3
72.93810	1.1
73.02927	1.5
73.08488	2.2
74.06077	1.3
81.03420	2.1
82.99865	2.9
84.04523	1.8
84.08145	16.2
84.96028	2.2
85.02902	6.5
86.09711	2.8
88.99158	7.1
95.06108	2.3
97.01389	1.1
97.02913	3.3
98.21349	1.5
98.97587	95.3
99.04462	1.3
101.00883	19.7
101.07073	1.3
105.14065	1.1
107.04968	10.8
109.02912	1.4
110.07184	1.2
110.96484	1.3
110.97566	9.0
112.99157	1.8
113.00874	5.9
113.07121	6.1
115.02443	2.5
116.98626	27.0
117.04044	2.0
119.01926	22.1
122.06043	1.1
123.04520	1.3
124.95506	2.4
124.99171	1.3
125.07109	1.2
127.02437	3.5
127.03880	1.4
128.98618	11.4
129.03979	1.4
129.10249	5.1
131.00246	1.2
131.01917	8.4
131.05591	2.4
133.03514	2.2
134.99672	6.2
136.06198	7.8
137.01028	1.1
138.01591	1.5
141.03963	2.0
143.00172	1.6
143.01920	18.5
145.03458	9.2
146.99637	11.8
149.80270	1.1
154.96532	13.1
155.01897	11.3
155.05492	1.9
156.02719	1.9
156.98062	2.3
157.03516	3.3
158.99677	4.2
159.05052	6.2
161.02963	18.9
165.00758	4.2
169.03560	1.3
172.94447	2.9
172.97588	34.3
173.01494	1.5
173.02937	8.6
173.06631	6.0
174.99167	7.5
177.06189	1.5
183.86568	1.1
185.03018	5.9
185.06570	7.8
186.99239	1.9
187.02904	1.3
187.04590	3.6
187.08226	1.8
189.00661	1.1
189.02498	4.0
190.95557	1.3
190.98640	30.7
191.00308	1.9
191.03915	1.5
193.00291	4.6
194.03378	2.7
198.99338	1.1
200.97134	4.3
202.98657	1.7
203.04015	6.7
203.07660	1.7
205.00267	5.7
208.99687	2.7
213.02625	2.2
214.95422	1.7
214.98552	5.5
215.04050	1.3
218.98126	10.5
219.01825	3.7
221.05055	7.9
223.01305	2.0
229.01964	1.6
231.03569	1.5
232.96330	2.4
232.97237	1.9
232.99617	24.3
237.02956	1.6
245.05142	1.4
251.00571	12.7
256.96426	7.4
257.08685	2.1
268.97321	1.3
274.97513	43.7
275.02594	3.2
275.11072	100.0
292.98584	17.9
293.03705	5.1
293.10916	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	275.0911
Annotation	5-Acetoxyisogoniothalamin oxide
Peak:m/z	Relative Intensity
51.02394	0.7
53.03956	2.1
55.01886	2.4
55.05512	4.5
57.03442	0.6
57.07084	1.3
59.05001	1.1
61.09434	0.5
65.03940	1.4
66.04752	0.6
67.01888	0.6
67.05508	6.6
69.03442	1.3
69.07071	4.7
69.60241	3.8
70.06598	1.7
71.04996	3.1
73.06574	0.8
77.03964	0.9
79.05495	6.6
79.05846	0.6
81.03423	1.5
81.07062	8.4
81.29616	0.7
83.04993	2.5
83.08634	2.0
85.06560	1.7
91.04905	1.4
91.05485	28.7
93.07050	14.3
94.04193	1.8
95.04975	7.1
95.08605	8.0
95.37070	0.6
97.06541	3.5
97.10226	0.7
99.04489	3.0
99.08138	0.7
100.11246	0.8
102.67530	0.8
103.05476	6.3
105.04510	1.1
105.07036	8.0
107.04964	20.1
107.08598	10.1
108.05305	2.9
109.06514	4.6
109.10163	7.0
111.04442	3.2
112.75393	0.7
113.06046	1.5
115.05511	1.8
117.07017	3.1
118.04156	1.6
119.04954	10.9
119.08588	8.0
120.08123	0.9
121.06512	12.1
121.10164	6.4
122.03645	5.1
123.04439	22.2
123.08060	6.5
123.11741	2.7
125.05997	10.2
125.09654	1.2
127.11236	0.8
128.06232	1.3
129.07047	1.5
131.04926	3.5
131.08562	3.8
133.06522	3.7
133.10121	6.4
135.04427	7.0
135.08073	1.8
135.11691	7.1
136.05199	4.7
136.07570	0.7
137.05986	100.0
137.09615	2.5
138.06837	1.0
139.07562	4.1
141.06976	3.9
142.07759	0.7
143.08569	1.5
144.05722	1.3
145.06494	4.5
145.10120	4.0
147.04396	4.5
147.11697	5.3
149.05980	1.6
149.09604	1.1
149.13301	1.3
151.07549	84.3
153.06972	1.4
155.04942	0.8
155.10693	1.7
157.06570	0.8
157.10178	1.7
159.04431	1.6
159.08035	2.4
159.11749	3.4
161.05966	1.0
161.09634	1.6
161.13254	1.4
163.03931	2.1
163.11209	1.1
165.05505	0.9
165.06934	1.3
167.07036	4.5
168.05704	1.9
168.13808	0.8
169.06459	5.9
169.07687	3.1
169.14183	0.7
170.10982	0.7
171.08012	0.9
171.11615	0.8
172.05049	0.9
173.05989	14.7
173.09615	0.7
173.13257	2.5
174.06694	0.9
175.03920	6.1
175.14789	1.3
181.06548	0.7
181.08615	1.5
183.08067	1.7
183.11667	0.8
183.22227	0.6
185.05972	0.9
185.13231	0.9
186.06749	2.0
187.07539	14.4
187.14854	1.9
189.16389	4.0
196.05241	0.9
197.05977	9.8
198.06662	1.3
199.07574	1.9
199.14838	2.0
200.04677	0.8
201.05501	9.3
201.09059	1.6
201.16368	1.6
203.17865	0.7
205.08598	1.0
211.07597	3.6
214.06230	2.4
215.07027	22.1
215.10545	1.3
216.07619	1.0
217.15851	1.2
219.10223	3.7
225.05444	8.7
225.08913	0.7
226.06194	3.6
229.08569	10.5
231.06427	0.9
231.10098	0.9
233.08069	13.3
239.07004	5.3
239.17828	0.8
242.05769	3.1
243.06485	2.4
243.10100	1.8
247.09648	7.7
257.08084	26.1
257.15353	0.8
257.18918	1.5
257.22592	1.9
258.11200	1.1
275.09088	79.5
275.12674	19.9
275.17938	2.2
275.20160	3.6
275.23624	6.7
276.09384	1.1
276.19592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Corymbiferan lactone D
Peak:m/z	Relative Intensity
53.03929	2.5
55.01856	5.9
55.05528	3.7
57.03435	2.0
60.34535	1.9
62.81394	1.6
63.26811	1.4
66.65524	1.6
67.05488	6.0
69.03421	2.5
69.07059	2.2
70.63655	4.5
70.84582	1.8
71.01343	6.5
75.04469	4.1
79.05467	4.3
81.07059	10.4
83.04929	2.9
84.54188	1.7
85.02909	8.5
85.06540	2.8
91.05479	10.8
93.07024	7.3
95.04987	1.9
95.08599	8.4
97.06528	3.9
97.10183	2.2
99.00824	57.1
99.04397	1.9
103.05455	6.9
105.07030	10.5
107.04932	7.8
107.08582	6.4
109.10155	5.7
113.02367	14.7
115.05443	4.0
117.07026	11.3
119.04948	4.7
119.08570	7.0
121.06505	2.6
121.10137	6.6
127.03918	2.4
128.06187	3.3
131.04919	10.1
131.08543	6.7
131.23058	2.0
133.06529	2.5
133.10124	7.4
135.11691	1.8
137.05928	3.0
137.09605	2.8
141.07002	21.8
143.08549	3.2
144.05727	1.9
145.06487	100.0
145.10112	5.7
147.04449	8.6
147.11722	4.0
149.09572	1.6
153.06958	2.9
153.09116	1.9
155.06018	9.0
155.08624	1.9
157.06497	8.4
157.10081	2.9
159.04532	2.7
159.08035	9.1
159.11671	3.7
160.05196	3.6
161.05946	4.0
163.11264	1.9
168.05693	2.8
169.06487	32.7
170.07175	2.6
171.04343	2.2
171.08061	6.5
172.05228	4.3
173.05974	4.6
175.14798	2.0
177.05452	2.7
181.06476	15.7
183.08134	2.3
186.06755	7.2
187.07541	26.2
187.14799	2.0
189.16396	2.5
196.05162	3.5
197.05983	47.0
198.06784	4.8
199.07576	27.4
201.05386	1.7
201.09096	4.0
211.07599	15.4
213.05418	6.2
213.09084	3.9
213.16356	1.9
214.06331	9.6
215.07018	47.8
215.08801	1.9
219.10072	2.8
224.04562	1.9
225.05472	25.9
226.06261	14.5
229.08609	33.1
231.10124	5.0
239.07019	2.2
242.05753	8.7
243.06526	56.0
247.09607	4.3
257.08093	25.3
257.12219	2.0
257.19019	2.9
261.07639	3.5
275.09119	77.6
275.13785	4.1
275.20096	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Corymbiferan lactone D
Peak:m/z	Relative Intensity
51.97435	1.2
55.01871	9.3
55.05500	2.6
57.03438	2.7
67.05499	4.4
69.03423	1.5
69.07058	1.9
69.72225	3.3
69.72616	3.4
71.01342	7.8
75.04466	3.0
79.05472	4.3
81.03397	1.6
81.07088	5.9
84.79918	1.3
85.02892	5.6
85.06545	2.2
91.05475	6.6
93.07044	5.0
95.04958	1.8
95.08600	4.5
97.06501	2.0
98.20856	2.2
99.00819	48.7
99.04444	1.6
102.67995	1.3
103.05469	4.3
105.07043	7.3
107.04952	4.9
107.08591	3.1
109.02853	1.7
109.06502	1.6
109.10139	2.7
110.51208	1.2
113.02370	13.1
115.05456	4.2
117.07018	10.0
119.04945	5.3
119.08572	6.4
121.06510	2.1
121.10131	5.6
123.11735	1.4
125.05968	1.6
128.06171	1.7
131.04944	7.4
131.08539	4.8
133.06429	6.0
133.10098	5.7
135.07996	2.5
135.11691	2.5
137.05969	3.7
137.09613	4.1
141.06998	17.7
144.05681	2.4
145.06488	100.0
145.10106	3.5
147.04428	8.5
147.08014	2.0
147.11670	2.8
149.09589	1.2
151.03889	1.7
151.07535	4.0
152.06166	1.6
153.07007	3.1
155.06075	8.1
156.36533	1.2
157.06471	5.1
159.08096	7.9
159.11647	2.0
160.05179	4.1
161.05980	2.2
161.09631	1.3
163.11215	1.4
163.14830	1.4
168.05664	5.2
169.06487	29.3
170.07092	1.6
171.04419	1.8
171.08041	5.1
172.05185	3.8
173.05984	7.4
173.13327	2.2
177.05441	2.7
181.06494	15.0
183.08060	3.5
185.05966	1.7
186.06783	5.9
187.03853	2.0
187.07541	26.7
189.09039	1.4
191.10657	1.5
196.05165	4.4
197.05986	54.0
198.06694	6.1
199.07567	24.6
200.56293	1.2
201.05400	2.7
201.09094	2.2
211.07552	16.9
212.08363	7.2
213.05519	6.5
213.08974	3.8
214.06238	6.5
215.07027	44.4
216.79774	1.2
219.10133	1.5
224.04626	1.5
225.05476	23.3
226.06259	13.7
229.08588	26.1
230.09013	1.3
231.10207	3.6
239.07080	3.3
240.07806	5.1
241.07526	1.6
242.05733	6.6
243.06526	54.7
247.05873	3.4
247.09654	3.6
257.08087	24.6
257.19049	1.8
261.07452	2.2
275.05539	21.6
275.09113	73.6
275.20160	11.5
275.23013	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	275.0914
Annotation	5-Acetoxyisogoniothalamin oxide
Peak:m/z	Relative Intensity
55.01865	2.0
55.05497	2.6
65.40315	0.6
66.56909	0.6
67.05510	5.9
67.49332	0.6
69.03411	2.2
69.07063	4.0
70.50159	1.7
70.50527	1.5
71.04973	1.1
73.06528	1.2
79.05508	4.1
81.03407	2.5
81.07056	4.9
83.04972	1.1
83.08608	1.8
83.61322	0.7
91.05490	5.8
92.23700	0.7
93.07040	4.7
94.04173	0.9
95.04953	3.2
95.08601	6.4
97.06515	2.6
97.46745	0.7
103.05466	2.3
105.07027	4.9
107.04967	8.5
107.08606	3.9
109.02913	1.2
109.06535	4.5
109.10136	3.2
111.04437	2.6
113.06010	2.2
114.41425	0.7
114.97472	0.8
115.05475	1.3
117.07006	2.9
119.04971	1.8
119.08566	4.7
121.06518	2.4
121.10136	3.1
123.04433	26.4
123.05336	1.3
123.11712	1.4
125.05991	12.3
127.03909	0.9
129.06993	2.0
131.04944	7.5
131.08557	3.7
133.06432	1.0
133.10097	2.7
135.04408	6.4
135.08049	1.2
135.11676	2.5
137.05966	5.4
138.06696	1.6
141.07005	4.0
143.08536	1.4
144.05698	1.1
145.06476	4.7
145.10123	2.2
147.04399	3.8
147.11696	2.0
149.06000	1.0
149.13242	2.8
151.03876	0.9
151.07466	1.8
155.06062	1.1
157.06476	1.3
157.10281	0.9
159.04422	1.6
159.08054	3.2
159.11644	0.9
161.05977	1.6
161.09546	1.1
163.03896	2.8
163.11240	0.9
163.14807	1.0
165.05437	0.9
168.05725	1.6
169.06490	6.5
172.05211	1.7
173.04625	1.3
173.05995	14.3
173.13255	0.8
174.06641	1.0
175.03951	7.3
183.08037	1.6
183.11574	0.9
186.06728	2.1
187.07544	16.8
187.11095	1.0
188.04587	0.9
196.05191	1.3
196.24782	0.8
197.06000	11.5
198.06752	2.9
199.07422	1.1
199.11331	0.8
200.04684	1.7
201.05504	11.0
201.09059	1.9
205.08588	1.3
211.07579	4.1
213.05411	0.8
214.06206	2.9
215.07022	25.1
219.10008	4.0
225.05473	8.7
226.06175	3.7
227.06891	0.9
229.08583	8.0
231.06564	1.4
231.10130	1.3
233.08099	15.3
239.07101	6.2
242.05804	4.1
243.06540	2.5
247.09651	9.2
257.08099	34.2
257.19009	1.1
275.09125	100.0
275.19986	8.0
275.27356	2.9
276.09561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01866	0.6
55.05515	2.9
57.07067	1.0
65.80415	0.3
67.05508	5.5
69.03432	19.0
69.07072	3.1
71.04972	0.8
71.08614	0.4
71.98357	0.4
77.03924	0.7
79.05504	3.3
81.03422	10.1
81.07059	7.2
83.01331	0.5
83.08611	1.6
85.02892	0.4
91.05482	5.1
93.07047	5.2
95.04948	1.1
95.08608	8.8
97.02901	5.3
97.06554	0.6
97.10165	0.6
99.03827	0.3
99.04443	1.5
99.61635	0.4
103.05471	32.6
105.04509	0.7
105.06404	0.6
105.07040	8.3
107.04942	1.5
107.08609	4.9
109.02888	3.7
109.06519	0.9
109.10155	6.8
109.10851	0.6
111.08122	0.3
115.05456	0.5
117.07028	1.5
119.04948	0.4
119.08584	4.9
121.06528	0.7
121.10184	2.6
123.08103	0.4
123.11707	1.5
125.09645	0.4
125.84049	0.4
127.03920	6.8
129.07065	0.4
131.04935	100.0
131.08566	2.1
132.05238	1.0
133.06534	0.6
133.10152	5.1
135.08011	0.8
135.11682	2.1
137.05966	1.6
137.09616	1.2
137.13257	0.6
141.07042	0.7
143.08615	0.4
145.06404	0.4
145.10153	2.6
147.04402	0.5
147.11693	3.8
148.12038	0.4
149.05988	0.6
149.09680	1.0
149.13254	2.4
151.07536	1.4
153.01826	0.4
153.06923	0.5
155.08504	0.7
157.10103	0.5
159.08087	0.5
159.11742	2.1
161.09628	0.3
161.13277	0.9
163.11119	0.6
163.14822	1.1
167.08514	0.4
169.06505	0.4
169.10146	0.7
170.06023	0.8
171.11812	0.5
173.13315	0.8
175.11168	0.6
175.14885	0.4
177.16330	0.4
183.08067	0.4
183.11740	0.8
187.11237	0.4
187.14708	0.5
189.16399	0.7
197.13208	0.5
201.12692	0.4
202.08681	0.4
213.27335	0.4
215.07121	0.3
215.14252	0.5
215.18056	0.8
219.21063	0.4
229.15878	0.7
239.17879	0.4
243.06561	0.3
257.18909	1.4
275.09149	9.9
275.13907	0.6
275.16983	0.6
275.20096	11.9
275.23666	1.6
275.27011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.1
56.96564	4.3
60.04510	1.8
61.02930	0.9
64.50221	0.7
69.03421	2.0
70.06596	2.6
70.50356	2.4
70.50787	0.7
72.08155	2.3
74.06090	0.8
79.05535	0.7
84.04516	1.6
84.08148	6.0
84.96121	0.6
85.02900	2.3
86.09708	8.2
87.09538	0.6
87.10032	3.4
91.05468	1.0
95.06087	1.7
98.09685	0.9
98.97589	6.6
107.04967	3.6
108.05303	0.6
110.09690	0.7
110.91064	0.6
110.97581	1.1
113.07122	1.2
116.98611	2.0
119.01872	0.6
128.98535	0.9
129.10245	2.4
137.47057	0.7
141.06973	1.3
147.11316	0.7
152.06972	1.4
155.10684	0.7
157.13321	1.3
158.13716	2.2
163.02756	1.0
177.00705	0.8
186.13214	0.8
190.98639	0.9
219.01744	0.9
232.99605	0.9
237.02792	0.7
257.02640	1.8
275.03976	2.3
275.11041	100.0
276.11392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1278
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
53.03944	1.0
55.01855	0.3
57.03460	0.3
65.03936	0.8
66.04733	0.6
67.05493	0.8
69.03409	0.4
69.07069	0.5
69.99291	0.6
69.99681	1.1
79.05490	2.6
81.03412	0.4
81.07053	1.2
84.62426	0.4
89.79018	0.4
91.05483	25.5
93.07042	5.0
94.04186	2.1
95.04980	3.8
95.08596	0.7
97.02910	0.5
98.20846	0.5
103.05461	5.1
105.04554	0.5
105.07025	2.3
107.04955	1.4
108.05757	2.7
109.06516	1.3
118.04149	1.6
119.04944	11.2
119.08564	1.2
121.02898	0.4
121.06522	2.3
122.03648	7.6
123.08070	5.1
124.05265	0.4
125.06023	0.5
129.71059	0.3
131.04913	1.7
131.08614	0.4
133.06508	3.5
133.10132	0.9
133.83559	0.4
135.04407	0.4
136.05188	5.8
137.05978	100.0
138.06322	0.8
139.07544	4.1
147.11702	0.5
151.07542	89.6
152.07890	0.6
159.11798	0.5
197.09608	0.6
215.10626	0.6
225.09059	0.4
230.44527	0.4
243.10197	2.2
257.11771	0.6
257.18915	0.5
275.12762	20.5
275.19971	3.4
278.76617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1277
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
50.03910	0.4
53.03939	1.3
55.01875	0.5
56.25247	0.4
65.03929	1.2
67.05499	1.0
69.03432	0.5
69.07084	0.5
71.48714	0.7
79.05495	2.2
81.07062	1.1
85.97108	0.4
91.05486	20.4
93.07050	4.5
94.04166	1.9
94.11973	0.4
95.04967	3.9
95.08595	0.8
99.68526	0.4
103.05467	4.0
105.04547	0.7
105.07029	1.6
107.04948	1.4
107.08584	0.4
108.05737	2.0
109.06516	1.1
109.10156	0.6
118.04160	1.0
119.04951	10.3
119.08550	0.7
121.06513	2.3
121.10126	0.7
122.03649	7.2
123.08089	4.4
131.04909	0.5
133.06522	3.6
133.10136	1.1
136.05206	5.3
137.05981	100.0
138.06322	0.9
139.07549	4.7
145.10118	0.8
147.11728	0.7
148.07201	0.4
151.03941	1.2
151.07549	86.5
152.07893	0.9
215.10701	0.4
222.81784	0.4
225.09140	0.5
229.08604	1.3
243.10126	2.0
257.11700	0.6
257.18906	0.5
273.28952	0.5
275.12787	20.4
275.19955	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	275.1279
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
51.02370	0.4
52.17206	0.3
52.61902	0.3
53.03943	1.4
55.01868	0.7
55.05505	0.9
57.46685	0.3
58.54760	0.4
65.03939	0.9
66.04722	0.5
67.05511	2.3
69.03423	1.5
69.07085	1.6
69.16325	0.7
69.16718	3.4
78.04721	0.3
79.05494	2.9
81.03411	0.8
81.07057	3.0
83.04997	0.3
83.08617	0.8
91.05485	22.8
93.07045	5.7
94.04187	2.2
95.04975	3.7
95.08614	3.6
97.10192	0.5
103.05476	6.2
105.04556	0.6
105.07044	4.2
107.04957	1.6
107.08592	1.8
108.05745	1.7
109.06510	1.1
109.10173	1.7
117.07030	0.5
118.04161	1.8
119.04949	9.2
119.08599	1.7
121.02848	0.3
121.06499	2.3
121.10152	0.7
122.03659	7.6
123.08076	6.0
127.03903	0.6
131.04932	5.4
131.08591	0.9
133.06487	3.6
133.10139	2.2
135.08051	0.5
135.11732	0.7
136.05196	5.2
137.05980	100.0
137.13222	0.4
138.06329	1.0
139.07568	4.4
145.10126	1.4
147.11699	1.2
149.09650	0.5
149.13275	0.7
151.07549	89.3
152.07861	0.8
155.08559	0.5
159.11658	0.6
173.13289	0.5
175.11220	0.4
201.05498	1.0
211.07471	0.6
215.10667	0.5
229.19566	0.4
243.10149	1.8
257.11792	0.6
257.19052	1.0
275.09570	0.7
275.12778	18.4
275.20029	5.8
275.27609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36742	0.9
52.17016	1.1
55.05498	1.3
56.05034	7.7
57.03438	2.4
57.07065	1.4
61.57121	1.1
67.05495	1.7
69.03410	1.7
69.07058	1.6
69.23852	9.9
70.06586	3.6
71.05016	1.2
72.08140	2.3
73.02882	1.2
74.06081	100.0
75.02702	6.5
76.10266	1.2
79.05492	1.3
81.03403	1.3
81.07053	1.0
84.08150	3.3
86.09708	78.3
91.05490	1.3
93.07050	2.0
98.06049	3.1
102.10114	1.1
103.05482	1.4
107.04926	2.3
107.08617	1.2
110.07187	2.4
116.07086	13.8
119.08531	1.5
120.08100	4.2
121.10094	1.8
124.07748	1.1
125.07126	2.0
126.05517	3.1
129.07053	1.2
129.10211	2.0
130.05360	1.3
131.04904	2.1
132.10202	54.0
133.10123	1.0
137.05942	1.9
141.06976	1.7
142.08658	1.9
144.06552	16.0
145.10228	1.1
151.07541	1.8
157.06522	1.8
158.89204	1.1
173.13237	1.0
184.09734	1.5
215.07208	1.1
257.12622	2.0
275.05505	2.4
275.09225	1.8
275.14099	12.3
275.27606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03938	3.2
55.01875	8.3
55.05275	1.2
55.05516	17.8
67.05510	17.2
69.03418	1.2
69.07074	15.2
69.65203	3.2
69.65615	2.6
71.04984	2.1
79.05498	23.2
79.07323	1.0
81.03390	1.7
81.07060	35.3
81.77428	1.0
83.04990	1.9
83.08615	7.0
91.05487	53.9
93.07043	22.6
95.01312	1.8
95.04953	4.2
95.08607	17.0
97.06539	9.4
97.10165	2.4
103.05466	3.0
105.04508	1.6
105.07037	100.0
107.04964	7.4
107.08603	11.4
107.39468	1.1
109.06477	3.1
109.10149	4.5
111.08057	1.1
115.05470	1.2
117.07030	11.4
119.08585	47.0
121.06525	2.5
121.10133	4.6
123.08128	1.9
123.11700	1.4
125.09573	1.5
129.06963	1.6
131.08577	19.2
133.10138	52.3
135.08023	1.5
135.11688	3.9
137.05994	1.9
143.08612	2.6
145.10123	14.0
147.11690	21.6
147.27400	1.1
149.09636	2.5
149.35359	1.0
151.11240	2.1
155.08508	1.2
157.10118	3.0
159.11655	6.0
161.13223	3.7
163.11212	2.4
165.09099	1.8
165.12726	1.6
166.49200	1.2
169.10117	1.7
171.11682	2.9
173.13301	3.9
179.14384	1.7
183.11708	3.9
197.13344	2.0
202.91969	1.3
229.19513	1.4
239.17909	1.7
243.21167	1.2
247.20584	2.8
257.19046	7.1
275.20074	82.6
275.27795	3.5
276.20358	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.85099	0.6
53.03939	3.0
55.01876	4.6
55.05513	14.2
57.03430	1.4
57.07069	1.1
65.03940	1.3
65.35021	0.6
67.05510	17.2
69.03425	1.8
69.06732	0.7
69.07069	9.0
71.04983	2.2
71.30992	1.2
73.08999	0.7
79.05498	19.4
79.05972	1.0
81.03404	1.1
81.06599	1.1
81.07063	22.1
83.04981	8.0
83.08620	4.2
84.21857	0.6
85.06539	1.7
91.05485	28.2
93.07050	23.6
95.04977	5.3
95.08611	12.8
97.06519	3.2
97.10169	2.2
99.08076	0.7
101.08728	0.6
103.05460	1.9
105.04541	0.8
105.07035	34.1
107.04960	5.7
107.08603	14.7
109.06516	8.3
109.10147	5.3
111.08089	1.3
115.05449	1.4
117.07018	9.8
119.08590	19.7
121.06518	8.8
121.10142	7.4
123.08071	6.2
123.11679	1.4
125.09635	1.1
129.06989	2.6
130.07750	0.9
131.04965	1.1
131.08574	14.4
133.06517	3.7
133.07376	0.6
133.10133	20.6
135.08051	5.3
135.11708	3.9
137.05975	4.1
137.09593	2.7
141.06943	1.1
142.07845	0.6
143.08553	2.8
145.06494	1.8
145.10115	11.5
145.11176	1.0
147.08060	3.4
147.11696	15.2
149.09636	5.6
149.13264	2.8
151.07553	2.9
151.11198	2.0
153.09076	0.8
155.08540	1.4
157.10117	2.7
159.08034	1.9
159.11678	8.6
161.09599	2.9
161.13216	4.3
163.11191	4.0
169.10155	1.6
171.11664	1.9
173.09633	2.1
173.13272	5.2
175.11279	2.8
175.14839	0.9
177.12740	1.9
183.11679	2.0
185.13269	1.3
187.11197	2.1
187.14906	1.2
189.12708	0.7
191.14282	1.6
193.12360	0.6
197.13222	1.2
199.14790	0.8
201.12758	2.7
203.14314	0.8
207.13753	0.8
211.14738	0.8
213.16420	1.0
215.17932	1.8
217.15871	0.9
218.40399	0.7
219.13766	2.7
229.19534	2.3
233.15384	0.9
233.18932	1.3
239.17999	3.6
247.20512	3.2
255.82837	0.7
257.19034	10.7
275.20071	100.0
276.20526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.01856	2.5
55.05512	13.1
57.03437	1.3
57.07080	3.7
62.40332	0.9
63.19609	0.6
65.03931	1.5
67.05183	1.2
67.05511	15.8
69.03421	1.0
69.07072	9.0
69.28271	7.3
70.06608	4.2
71.04994	1.9
71.06911	1.3
71.08624	0.7
73.06551	1.0
79.05497	18.7
81.06605	1.4
81.07063	18.6
83.04994	4.0
83.08607	5.8
86.32251	0.9
88.07639	4.6
89.07945	1.5
91.05488	36.0
93.07054	17.0
95.04964	3.8
95.08607	12.7
97.06509	3.1
97.10179	2.5
102.09155	0.9
103.05466	1.9
105.07037	53.4
106.08656	2.8
107.04939	3.3
107.08582	13.6
109.06524	3.8
109.10171	5.1
111.08037	1.5
117.07033	9.0
119.08590	29.2
121.06529	5.1
121.10134	5.7
123.08060	3.1
123.11642	1.5
124.87814	0.8
125.09605	0.9
128.06204	0.9
129.07021	1.9
131.04909	1.0
131.08571	14.9
133.06511	1.7
133.10136	36.8
135.08031	4.2
135.11685	3.3
137.05971	2.9
137.09618	2.7
138.17775	0.8
139.73332	0.7
140.80756	0.8
141.06978	1.2
143.08560	2.5
145.06438	0.9
145.10124	14.7
147.08098	1.8
147.11682	20.0
149.09639	4.8
149.13264	2.0
151.07541	1.6
151.11154	0.8
155.08485	0.9
157.10158	2.9
159.08015	1.3
159.11691	7.7
161.09636	2.1
161.13245	4.5
163.11174	3.2
165.12733	0.9
169.10168	1.1
171.11662	2.4
173.09590	1.5
173.13258	4.6
175.11139	2.6
175.14822	1.6
177.12729	0.8
183.11649	2.0
185.13303	1.2
187.11221	1.6
187.14783	1.0
191.14328	1.9
197.13344	1.5
201.12715	1.1
215.14363	1.0
215.17989	2.1
219.13814	1.4
229.19514	2.2
233.15260	1.5
239.17915	4.9
247.20683	2.0
257.19098	9.2
257.26718	2.6
275.20074	100.0
275.27759	41.0
276.20630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	3.7
55.00769	1.1
55.01865	4.2
55.05515	16.2
57.03427	3.3
61.00375	1.3
65.03948	2.2
65.06918	1.3
66.28934	1.1
67.05505	23.7
69.03424	2.3
69.07074	12.8
69.87149	2.1
69.87541	3.3
71.04983	3.9
76.90330	1.2
79.05503	22.1
81.03404	5.0
81.06597	1.8
81.07060	33.0
83.04964	4.7
83.08622	4.9
85.06551	2.2
88.07610	1.9
91.05492	42.6
93.07050	22.8
95.04950	3.5
95.08608	15.8
97.06545	2.5
98.20847	1.7
103.05454	11.0
105.07040	57.4
105.57239	1.2
107.04963	7.3
107.08600	13.5
108.03047	1.3
109.06521	6.9
109.10202	6.0
117.07028	10.9
119.08588	33.7
121.06509	5.1
121.10159	7.5
123.08084	7.0
125.09662	1.4
129.07004	1.9
131.04932	23.7
131.08583	12.8
133.10138	31.5
135.08040	4.9
135.11711	5.0
137.05940	2.6
137.09637	4.0
143.08507	3.3
145.10123	13.5
147.08063	3.0
147.11691	22.8
149.09647	8.9
149.13197	2.3
151.07556	2.9
157.10133	3.8
159.11725	10.0
159.49884	1.4
161.09636	2.0
161.13251	5.7
163.11188	4.3
165.12823	1.2
169.10121	2.7
171.11737	1.5
173.13240	5.3
175.11244	2.8
177.12825	1.3
182.11086	1.2
183.11659	3.3
185.13239	2.9
187.11215	1.7
187.14861	1.8
197.13263	3.5
201.16432	1.2
203.14259	2.3
215.17987	1.5
219.13809	1.7
229.19537	3.6
239.18025	5.9
247.20607	1.5
257.19098	10.3
275.09195	3.1
275.20071	100.0
275.27780	13.0
276.20258	1.3
277.27423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	4.9
55.01859	4.6
55.05511	24.4
56.38723	1.6
57.03423	4.8
64.85784	1.5
67.05183	2.7
67.05506	37.0
69.03414	3.0
69.07069	17.0
70.61028	5.0
71.04993	3.8
79.05492	46.2
81.03408	5.0
81.07061	79.0
83.04974	7.1
83.08616	7.7
87.81181	1.7
91.05480	45.4
93.07043	27.8
95.04979	9.9
95.08602	21.5
97.06518	6.0
97.10152	3.6
103.05438	2.5
105.07037	56.6
107.04944	19.3
107.08591	20.7
109.06525	29.3
109.10139	7.8
111.08089	3.6
117.07023	8.6
119.08586	38.8
121.06486	10.5
121.10142	14.2
123.08057	8.0
123.11690	4.0
129.06969	1.9
131.08548	17.5
133.06454	2.4
133.10130	31.4
135.08038	10.2
135.11723	8.9
137.06076	1.7
137.09608	6.0
143.08539	3.4
145.10098	19.1
147.08046	4.3
147.11705	17.7
149.09618	11.1
149.13246	6.1
150.71141	1.9
151.07527	3.2
151.11220	4.5
157.10106	5.0
159.08109	2.4
159.11681	12.3
161.09628	2.2
161.13257	6.1
163.11180	8.9
169.10057	2.4
171.11658	2.7
173.13258	6.7
175.11177	3.7
175.14827	2.2
177.12776	4.0
183.11644	2.8
187.14796	3.1
193.12239	4.1
197.13194	2.5
212.77818	1.7
229.19551	4.2
239.17896	5.9
247.20633	5.1
257.19061	13.1
275.20078	100.0
275.27698	2.4
276.20340	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.07281	0.8
53.03938	2.3
55.01875	2.0
55.05284	0.9
55.05515	14.7
55.21174	0.9
55.35178	0.8
57.03431	1.6
57.07067	2.1
60.67012	1.0
65.03938	2.0
67.05193	1.9
67.05511	26.2
69.07070	12.3
69.37051	8.2
71.04983	2.6
79.05499	30.1
81.07066	23.2
83.04981	2.4
83.08603	4.2
85.06528	2.5
91.05487	51.8
93.07049	19.0
95.04950	2.8
95.08610	13.5
97.06542	1.5
97.10177	1.5
103.05469	2.7
105.07036	69.6
105.75898	1.1
107.04953	3.3
107.08586	12.8
109.06526	1.9
109.10162	9.0
113.06064	1.2
115.56804	1.0
116.06237	1.0
117.07024	14.0
118.07795	1.3
119.08589	43.4
121.06512	2.6
121.10165	7.3
123.08101	1.0
128.06242	1.2
129.07018	2.4
130.07756	1.4
131.08594	17.4
133.06476	0.9
133.10143	39.0
135.08095	1.6
135.11678	3.1
137.05998	2.2
137.09601	1.9
143.08559	1.8
145.10132	12.2
147.08006	2.1
147.11705	27.2
149.09608	7.6
151.07524	2.6
151.11122	1.5
155.08530	2.1
159.11699	10.7
161.13255	8.6
163.11255	1.8
169.10150	1.2
171.11717	2.8
173.13283	6.9
175.11150	1.7
183.11789	1.3
187.11075	1.2
187.14899	1.9
197.13280	2.3
199.14857	1.2
229.19533	2.8
233.15422	1.6
239.17926	3.8
247.20555	4.3
257.18964	5.9
275.20068	100.0
275.27823	3.8
276.20505	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03929	2.5
55.01866	5.1
55.05274	1.2
55.05515	12.2
57.03417	1.5
57.07064	1.3
65.03946	0.9
67.05509	16.7
69.03428	1.8
69.07072	9.4
71.04986	2.4
71.40720	1.1
79.05495	17.3
81.07057	22.1
83.04983	8.4
83.08602	3.4
85.06522	1.9
91.05481	24.7
93.07046	23.8
95.04967	5.5
95.08605	14.3
97.06519	3.4
97.10176	1.8
103.05456	1.6
103.91743	0.7
105.07034	31.2
107.04961	5.9
107.08593	15.1
109.06527	8.4
109.10145	5.9
111.08080	2.4
117.07025	7.0
119.08585	15.8
121.06516	9.8
121.10141	7.6
123.08060	7.4
123.11697	1.6
129.07018	2.9
131.08565	14.3
133.06470	2.8
133.10123	15.9
135.08038	5.8
135.11731	3.8
137.05968	1.2
137.09605	2.3
141.06935	1.3
143.08527	2.9
145.06476	1.7
145.10117	9.6
147.08032	2.3
147.11690	15.8
149.09651	7.2
149.13245	2.9
151.07605	1.3
151.11166	1.8
155.08594	1.5
157.10107	2.3
159.08031	1.0
159.11696	8.5
161.09612	3.6
161.13263	3.2
163.11206	3.9
165.12758	1.0
169.10173	1.9
171.11664	1.6
173.09628	1.4
173.13300	4.9
175.11185	3.1
175.14804	1.1
177.12799	2.2
183.11687	2.5
185.13316	1.8
187.11197	1.4
187.14828	1.2
189.12729	1.4
191.14355	2.1
195.28790	0.7
197.13376	1.1
199.14748	0.8
201.12773	1.9
207.13811	1.2
213.16455	0.8
215.17917	1.8
217.15967	1.3
219.13823	1.9
229.19551	2.2
231.17403	0.9
233.15530	0.8
233.18979	1.6
239.18054	2.6
247.20587	3.1
257.18982	10.3
275.20074	100.0
275.27698	4.4
276.20267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.01608	0.8
50.27494	0.8
53.03947	4.6
53.09494	0.8
55.01855	2.2
55.05515	14.1
57.03426	1.5
67.05507	20.8
68.17571	0.8
69.03426	9.6
69.07072	11.5
70.86409	2.2
71.04992	4.2
73.06565	1.3
73.50830	0.9
77.03943	1.2
77.07833	0.9
79.05499	23.4
81.03426	21.9
81.07056	25.9
83.04971	3.0
83.08615	5.7
85.06507	1.1
91.05481	39.7
93.07049	23.1
95.04980	5.4
95.08618	12.7
97.02905	1.2
97.06526	4.4
97.10176	2.7
99.04497	1.6
103.05480	13.6
105.07034	56.2
107.04945	4.2
107.08594	18.6
109.02866	6.4
109.06508	5.1
109.10152	6.9
111.08070	2.1
115.05421	2.0
117.07028	10.7
119.08579	31.1
121.06509	3.3
121.10160	7.6
123.08080	2.9
123.11739	2.5
125.09599	1.5
127.03921	3.2
129.06990	3.0
131.04935	39.3
131.08572	12.9
133.06461	1.0
133.10138	35.8
135.08038	4.0
135.11687	4.5
137.09624	2.9
137.99173	0.9
143.08548	1.9
145.10135	14.3
147.08063	2.3
147.11679	20.7
149.09618	8.3
149.13289	2.2
151.11165	2.7
155.08554	1.4
157.10075	2.3
159.11699	8.4
161.09584	1.9
161.13295	5.1
163.11238	6.2
165.09190	1.0
165.12828	1.2
169.10150	2.8
171.11685	2.6
173.13309	5.0
175.11194	2.0
175.14745	1.3
177.12807	1.8
179.14345	1.3
179.45287	0.9
183.11682	1.7
185.13261	1.7
187.11194	1.4
187.14940	1.1
197.13235	3.0
201.12749	1.4
211.14783	1.3
215.14243	1.1
229.19534	3.9
233.15497	1.2
239.18019	5.5
247.20584	2.8
257.18973	9.3
275.09088	9.9
275.20068	100.0
276.20444	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02354	0.5
52.57351	0.4
53.03937	2.5
55.01875	3.0
55.05272	0.8
55.05513	9.9
57.03437	9.2
57.07059	2.2
62.17982	0.5
64.09356	0.5
65.03926	1.6
67.05506	15.8
69.03436	2.4
69.06737	0.8
69.07075	10.4
70.63582	1.5
71.04983	1.8
71.08617	1.3
72.70635	0.5
73.06553	0.6
77.03898	0.7
79.05496	17.9
81.03413	3.4
81.07060	24.5
83.04944	1.1
83.08618	6.1
85.06542	3.1
91.05484	30.7
93.07046	23.8
93.07645	1.1
95.04953	2.4
95.08609	22.0
97.06528	2.2
97.10162	2.4
99.04433	0.9
99.08076	1.4
99.73455	0.5
103.05481	4.9
105.04530	1.0
105.07034	43.0
107.04961	4.3
107.08594	15.6
109.02863	0.7
109.06529	4.8
109.10158	9.7
111.08064	2.1
113.06005	0.7
113.09683	0.5
114.76627	0.5
115.05450	1.4
117.06248	0.7
117.07023	11.3
118.07777	0.7
119.08585	30.8
121.06505	4.4
121.10146	9.8
123.08040	1.5
123.11696	3.3
125.09628	1.0
125.51723	0.5
127.07529	0.8
128.06207	1.2
129.07022	4.2
130.07768	0.6
131.04936	10.4
131.08571	13.5
133.06512	2.0
133.10141	23.9
135.08067	5.2
135.11696	6.6
137.05977	1.8
137.09631	1.3
137.13252	1.5
141.07013	1.9
142.07848	0.7
143.08575	5.4
144.09341	0.6
145.06592	0.5
145.10139	10.9
145.11285	0.7
146.10939	0.5
147.08060	1.9
147.11693	22.5
149.09613	9.9
149.13269	6.6
151.07544	1.5
151.11208	0.7
151.14912	0.6
155.08539	1.9
157.10103	4.5
159.11685	11.1
161.09619	2.3
161.13271	6.1
162.10329	0.5
163.11209	3.7
163.14806	2.4
169.10121	2.8
171.11714	2.6
173.09702	1.1
173.13257	6.2
175.11261	1.6
175.14847	2.3
177.12775	1.8
177.16389	1.0
179.10739	0.8
183.11702	3.0
185.13258	11.7
187.07529	0.6
187.11171	1.5
187.14742	0.6
191.14264	1.4
191.17885	0.5
197.13335	2.8
199.14857	1.1
201.12770	1.0
201.16383	2.0
203.14311	5.5
205.19528	0.8
210.13998	0.8
211.14850	1.3
213.16362	0.5
215.06960	0.9
215.14326	0.7
215.17999	0.7
217.15799	0.6
219.17503	4.1
219.21130	0.8
229.08728	0.6
229.19537	1.8
233.15602	0.7
239.17929	4.3
243.06578	0.5
247.20538	1.0
257.15140	0.5
257.16150	0.7
257.19000	12.4
275.09360	3.1
275.20074	100.0
275.27072	5.4
276.20419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.32483	0.6
53.03937	2.7
55.01875	4.4
55.05513	15.6
57.03424	1.3
57.07074	1.4
65.03928	1.1
67.05508	22.4
69.03403	1.1
69.07067	7.5
71.04981	1.6
71.08633	1.1
79.05493	23.4
81.03406	1.0
81.07053	22.2
81.07529	1.2
83.04974	3.1
83.08627	7.7
85.06533	1.3
88.07633	1.9
91.05482	33.4
93.06491	1.5
93.07048	24.9
95.05004	3.7
95.08613	16.1
96.87174	0.8
97.06548	4.9
97.10193	3.5
98.21514	2.1
99.08061	1.1
101.05966	0.8
102.09188	0.8
103.05460	3.2
103.84483	0.7
105.04588	0.8
105.07036	49.3
106.08649	0.9
107.04954	3.6
107.08598	18.7
109.06535	4.4
109.10179	7.1
111.08060	2.8
115.05426	1.4
117.06242	1.0
117.07022	11.0
119.08585	31.8
121.06510	5.0
121.10147	11.8
123.08054	3.5
123.11700	1.6
125.09645	2.1
128.06184	1.1
129.06998	2.6
131.04942	0.9
131.08563	14.5
133.06454	3.1
133.10135	29.0
135.08057	6.0
135.11690	4.9
137.05986	4.9
137.09633	4.4
139.11148	1.2
141.07027	1.9
143.08540	2.8
145.10118	16.2
147.08008	2.6
147.11690	17.0
149.09627	15.4
149.13269	1.7
151.07483	3.4
151.11186	3.9
155.08548	2.0
157.10126	3.2
159.11697	11.2
161.09618	1.8
161.13292	5.2
162.10344	0.8
163.11191	9.3
165.12750	2.1
169.10126	3.5
171.11653	4.3
173.09648	1.4
173.13239	5.2
175.11209	3.1
175.14833	1.5
177.12715	4.1
179.14264	1.3
183.11688	2.5
185.13222	1.2
187.11224	2.0
187.14816	1.2
189.12808	1.8
191.14291	2.0
193.12344	1.2
197.13263	3.7
201.12741	1.0
207.24570	0.9
213.16478	1.6
215.14362	0.9
215.17908	2.0
228.88348	0.7
229.15927	1.0
229.19595	3.9
233.15506	0.8
239.17978	11.7
247.20572	2.7
257.19034	16.3
275.20071	100.0
275.27750	11.9
276.20413	2.0
295.53247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03955	3.3
55.01876	3.0
55.05518	12.3
57.07058	2.7
58.06593	2.0
60.69238	2.0
67.05502	18.3
69.07074	11.4
70.00283	9.2
71.04986	3.7
71.06940	2.5
79.05495	24.6
81.07058	24.4
83.04995	4.8
83.08614	9.5
85.68274	2.6
91.05486	33.3
93.07050	24.7
95.04962	3.6
95.08594	17.4
97.06524	5.7
98.21484	2.4
105.07037	46.2
107.04971	3.2
107.08607	15.9
109.06535	4.3
109.10165	9.3
111.08083	3.3
117.07001	8.6
119.08582	29.6
119.62841	2.1
121.06511	4.8
121.10126	11.5
123.07999	2.8
129.06963	3.6
131.08559	12.5
133.10147	37.8
135.08014	5.5
135.11684	8.0
137.09621	3.5
145.10114	16.8
147.11674	20.8
149.09621	12.3
149.13243	5.5
151.11165	5.4
157.10149	2.4
157.11749	2.1
159.11703	8.7
161.09718	2.7
161.13269	6.2
163.11189	6.6
171.11632	4.0
173.13307	4.4
175.11082	3.4
175.14882	4.0
197.13356	3.7
229.19569	4.0
239.17979	8.5
247.20532	3.0
257.18951	13.8
257.22806	3.7
263.68549	2.3
275.20081	100.0
275.23181	4.4
275.27771	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	276.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65139	0.4
53.03943	1.2
55.01875	0.9
67.05495	0.7
70.06609	0.6
71.47620	0.5
74.37699	0.4
76.47290	0.4
79.05492	1.8
81.07055	1.8
81.75480	0.4
82.06614	0.8
84.08154	0.5
91.05484	0.8
95.04988	0.9
96.08127	5.7
104.02572	0.4
105.04562	0.4
106.06529	1.5
107.04959	100.0
107.10614	0.4
108.05269	0.8
109.06519	0.6
110.06046	23.6
120.08098	1.6
120.38570	0.5
124.07597	20.8
125.54728	0.5
128.57327	0.4
134.06020	1.6
134.10579	0.5
152.07076	10.2
156.05269	0.4
170.08130	78.0
171.08461	0.8
190.03859	0.4
258.11124	0.5
276.12216	2.4
294.72977	0.4
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
53.02784	17.5
56.96561	60.6
60.27276	17.2
60.32680	19.2
70.13935	49.0
90.31424	16.8
98.97595	100.0
110.97590	35.2
116.98634	34.2
125.75439	18.9
128.98633	25.8
144.98087	18.4
158.99614	21.1
177.00716	22.4
189.00743	25.0
219.01820	53.9
237.02823	33.5
277.03323	36.2
277.06586	41.1
295.07016	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	277.1073
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
53.03940	2.1
55.01862	4.4
55.05511	12.0
57.03418	2.1
57.07079	4.3
59.04992	1.6
65.03920	1.5
67.05507	29.4
69.03434	4.2
69.07074	21.2
70.53857	1.3
70.54198	4.2
71.04981	5.0
71.08633	3.8
73.06562	3.0
79.05498	25.7
81.03420	2.0
81.07060	42.3
83.04980	4.3
83.08624	8.6
85.06547	3.6
91.05472	15.1
93.07047	39.2
95.04982	5.8
95.08613	30.9
97.06546	7.6
97.10191	4.4
97.29331	1.3
99.04441	2.9
99.08099	5.0
99.86875	1.4
103.05483	2.0
105.07041	20.9
107.04955	12.1
107.08598	25.6
109.02853	2.2
109.06537	4.2
109.10162	18.7
111.04464	2.0
111.08067	4.0
115.05428	2.0
117.07029	4.3
119.08568	12.0
120.04462	1.6
121.02945	1.7
121.06501	4.5
121.10149	22.3
122.29472	1.5
123.08063	3.1
123.11716	6.4
125.05994	2.6
125.09643	4.1
127.11240	1.5
128.06230	4.2
129.07013	6.3
131.04910	12.5
131.08583	5.5
133.06497	24.8
133.10130	10.1
135.08043	2.6
135.11694	19.8
137.05963	4.1
137.09616	2.4
137.13268	4.4
139.11212	2.0
141.06975	5.2
143.08578	4.7
145.06488	4.0
145.10112	5.9
146.05997	18.6
147.04422	3.5
147.08038	2.6
147.11702	7.2
149.09608	2.5
149.13260	11.0
151.11171	2.4
152.06190	2.7
153.06978	12.8
155.04883	2.1
155.08543	8.7
157.06487	15.0
157.10167	2.7
158.07147	1.8
159.08035	7.0
159.11676	3.9
161.05988	6.5
161.09671	2.8
161.13274	4.0
163.03883	1.7
163.14853	4.0
165.07005	19.9
165.12752	2.5
168.05704	2.6
170.07277	2.6
171.08051	20.2
171.11734	2.5
173.05954	2.0
173.09608	5.4
173.13287	2.4
174.05528	10.1
175.11189	2.7
175.14818	4.1
177.09079	1.7
177.16406	2.0
178.07793	2.1
181.06471	19.2
182.07249	2.9
183.08043	30.3
184.05307	2.1
184.08836	2.1
185.05963	10.5
185.09627	6.5
185.13268	3.8
187.07597	2.7
189.09181	2.5
189.12744	1.8
195.08112	2.5
198.06755	2.3
199.07545	32.6
200.08331	3.8
201.09100	13.8
203.08694	2.9
203.10678	3.4
203.14394	2.1
209.06003	4.3
210.06589	1.6
213.09094	15.4
215.10677	100.0
215.22020	1.5
216.10959	2.6
217.08606	6.8
217.12190	1.8
221.09579	2.9
221.15163	1.5
226.06189	3.2
227.07060	4.1
231.08119	6.0
231.10197	6.2
233.11705	13.1
234.06802	2.7
234.99051	1.7
235.11433	2.1
235.14778	1.6
241.08598	97.7
241.19496	2.5
245.08025	2.0
249.09145	6.4
259.07501	2.3
259.09677	64.3
259.17102	2.2
259.20663	4.4
259.24200	1.9
277.00058	1.7
277.08392	15.1
277.11258	2.1
277.15283	2.6
277.18387	3.3
277.21628	37.2
277.25238	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	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.24395	0.3
53.03942	1.0
55.01872	10.5
55.05512	5.5
57.07074	1.4
65.03935	0.8
67.05509	7.6
69.03419	0.5
69.07069	4.6
69.92466	1.3
71.04982	0.4
71.08614	0.5
79.05495	13.3
81.07059	40.5
82.07370	0.4
83.04983	1.9
83.08625	2.0
91.05482	4.9
93.07043	10.7
95.04966	0.8
95.08611	6.3
97.06528	1.4
97.10177	0.7
103.05499	0.5
105.04527	0.4
105.07036	4.6
107.04956	0.6
107.08598	7.1
109.06523	14.3
109.10166	4.1
111.04450	13.5
111.08059	0.7
113.05980	0.4
117.07015	1.2
119.08598	4.7
121.10141	5.6
123.08081	1.3
123.11744	1.2
125.05991	4.4
125.09636	0.6
131.08569	2.2
133.06459	0.5
133.10139	4.0
135.08080	2.1
135.11693	6.4
137.05983	100.0
137.13264	1.8
143.08516	1.7
145.10135	1.6
145.39085	0.3
146.07317	0.4
147.08054	1.5
147.11702	5.3
149.09633	2.8
149.13277	2.6
151.07521	2.6
151.11186	0.9
157.10117	1.6
159.11723	1.1
161.09621	4.3
161.13269	1.8
163.11188	2.5
163.14822	1.2
165.09123	1.9
165.12701	0.4
167.10713	0.7
171.11684	1.3
173.13313	0.6
173.81943	0.4
175.11194	3.9
175.14844	1.2
177.12711	0.7
179.10620	1.6
180.68344	0.4
181.12254	0.4
185.13245	0.5
189.12762	1.2
193.12236	0.7
203.14401	0.6
203.17952	3.8
207.13817	0.5
211.34010	0.4
213.16432	1.9
221.15266	0.3
221.19040	1.0
223.14854	1.1
231.17442	6.2
241.15823	0.7
241.19629	0.5
249.18483	3.2
259.20642	0.4
277.18027	5.3
277.21622	4.9
295.18958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03939	5.9
55.01880	4.4
55.05513	22.7
56.52569	1.5
57.03416	2.0
57.07074	10.9
65.03926	3.2
65.23394	1.6
67.05506	32.2
69.07072	20.2
69.87274	1.5
70.06577	1.6
70.99393	3.2
70.99747	1.6
71.04990	2.8
77.03913	1.7
79.05497	71.3
81.07061	37.5
83.04969	4.1
83.08627	9.2
85.06543	2.6
88.66271	2.0
91.05487	26.9
93.07050	100.0
95.04952	7.8
95.08608	32.2
97.06535	5.0
97.10169	4.2
105.07043	16.6
107.08603	49.8
107.86053	1.4
109.06476	2.7
109.10168	14.1
117.07040	4.6
119.08605	14.2
121.09377	2.0
121.10155	42.0
121.25741	1.4
123.08028	2.4
123.11730	2.6
129.06969	2.8
131.08577	5.5
133.10136	15.1
135.08038	1.7
135.10695	3.1
135.11703	40.4
137.13338	1.6
145.10147	4.8
147.11710	9.6
149.09692	2.6
149.13280	23.8
159.11691	3.7
161.13271	6.8
163.11211	3.3
163.14818	5.0
167.10519	1.5
171.11644	2.5
173.13199	2.3
175.11252	2.5
175.14871	2.7
179.10692	5.9
185.13292	3.5
193.12244	1.6
217.10443	1.5
221.15407	2.6
235.16943	16.5
241.19582	4.1
259.20572	4.6
277.18042	16.8
277.21606	75.2
277.28192	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	4.8
55.01879	14.8
55.05273	2.0
55.05515	23.3
57.07067	4.8
67.05510	42.4
69.07074	19.0
71.04974	4.4
71.08635	8.7
71.09634	3.2
79.05495	54.4
81.03417	5.3
81.06592	3.0
81.07056	49.8
83.04969	5.6
83.08625	12.6
85.06535	1.7
91.05486	32.8
93.07047	74.8
95.04979	12.5
95.08610	31.3
97.06532	3.9
97.10180	4.3
99.08086	6.8
104.73881	1.4
105.04505	1.8
105.07040	24.3
107.04926	2.9
107.08596	41.7
109.06519	7.1
109.10163	14.8
111.08089	17.2
117.07000	4.6
119.08585	18.1
121.06496	3.1
121.10152	27.8
123.08063	3.5
123.11691	4.6
125.09608	3.3
129.07004	4.4
131.08563	7.0
133.06508	2.6
133.10135	17.3
135.08061	2.9
135.11690	27.0
137.06013	2.3
137.09613	3.9
137.13242	3.0
139.11198	1.6
141.12726	1.7
143.08527	2.9
145.10132	5.7
147.08083	1.8
147.11697	13.3
149.09633	2.6
149.13261	14.8
151.11197	6.0
157.10097	2.7
159.11716	3.5
161.09628	3.3
161.13254	10.2
163.11205	5.1
163.14836	7.5
163.56548	1.6
165.12755	6.2
169.12187	1.9
171.11711	5.3
173.13326	2.0
175.11255	2.5
175.14847	6.5
177.12727	2.1
179.14366	4.3
185.13274	4.7
189.12784	2.4
193.08664	2.0
193.16034	1.7
195.13794	2.4
199.14642	2.0
207.13887	3.5
217.19467	2.4
221.15358	3.3
231.21082	2.8
235.13274	1.8
235.16922	4.4
239.13629	1.6
241.19501	6.5
249.22209	2.7
259.20618	13.0
277.18396	4.0
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03945	6.7
55.01854	4.8
55.05512	19.2
57.07067	5.8
65.03947	1.7
67.05507	43.3
69.03399	1.8
69.07072	18.7
69.77215	4.3
69.77619	2.5
71.04988	3.7
71.08630	1.6
73.06536	1.4
73.51521	1.5
78.49107	1.3
79.05496	75.7
81.03422	2.9
81.06596	2.4
81.07057	43.1
81.84166	1.3
83.04990	3.1
83.08622	7.7
85.06541	2.7
91.05477	34.3
93.07044	100.0
95.04987	6.1
95.08608	29.9
95.96061	1.2
97.06516	2.5
97.10144	3.4
99.08053	1.4
105.04494	2.3
105.07025	19.4
106.58341	1.2
107.08593	52.6
107.09315	2.8
109.06509	4.1
109.10155	17.3
111.08059	4.2
117.07008	3.8
119.08585	16.1
121.06543	1.4
121.10144	46.0
123.11720	5.2
125.09647	2.6
129.06996	3.0
131.08556	6.7
133.10114	13.6
135.08069	2.1
135.11691	47.5
137.09639	2.0
143.08553	2.7
145.10135	5.6
147.11659	9.6
149.02342	2.5
149.09624	1.9
149.13266	23.3
151.11200	2.0
153.07175	1.3
159.11717	2.9
161.09622	1.9
161.13339	7.1
163.11162	3.2
163.14845	7.6
167.10826	1.4
171.11681	2.4
173.13295	3.6
175.11241	1.7
175.14841	3.4
177.12770	2.1
179.10664	1.3
185.13283	2.3
189.12775	1.5
195.13826	2.0
199.14781	1.3
203.14427	1.9
207.13757	2.7
213.16327	1.5
217.19611	1.7
221.15442	3.7
231.17389	2.5
231.21094	1.5
235.16904	4.0
241.19511	3.8
259.20676	6.3
277.21634	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03950	6.8
55.05281	1.0
55.05517	13.7
57.07066	2.6
65.03935	1.9
65.75868	1.1
67.05505	31.3
69.03445	1.3
69.07075	13.5
70.22683	3.0
71.04988	1.4
77.03906	3.0
79.05497	73.7
81.03381	1.4
81.07056	36.1
83.04979	2.1
83.08624	6.2
85.06523	2.4
88.50254	1.0
91.05485	28.1
93.07047	100.0
95.04956	4.9
95.08614	22.0
97.06540	1.9
97.10165	3.3
98.12775	1.1
105.04501	2.9
105.07037	11.3
107.08595	47.0
109.06523	1.2
109.10166	12.3
117.07005	1.9
119.06094	1.4
119.08572	9.2
121.10155	38.3
123.11705	2.5
123.94025	1.1
129.06982	1.4
131.08553	2.5
133.10149	11.8
135.08078	2.2
135.11696	52.1
143.08615	2.3
145.10100	1.8
147.11699	5.8
149.13266	24.1
157.10175	1.5
159.11673	3.8
161.13292	2.6
163.14807	4.8
171.11765	1.6
173.13220	1.2
175.11209	1.5
175.14755	1.8
175.67032	1.0
181.12219	1.4
185.13171	2.1
193.12169	1.2
195.13699	2.0
199.14775	1.7
207.13792	2.2
209.18861	1.3
213.16412	2.1
221.15349	3.3
235.16862	3.9
241.19490	1.2
254.31944	1.1
259.20645	3.5
277.21640	64.8
278.22168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.10984	0.8
53.03947	6.0
54.91244	0.9
55.01856	1.8
55.05511	17.8
57.07072	1.5
59.17538	0.8
62.89737	0.9
65.03937	1.9
67.05508	28.6
69.07072	14.6
70.22482	3.3
71.04976	1.6
77.03925	2.1
77.59312	0.9
78.08109	0.8
79.05496	77.2
81.07060	34.1
83.04963	2.5
83.08633	6.7
85.06541	2.0
87.29168	0.8
87.94308	0.8
91.05484	30.3
93.07047	100.0
95.04988	4.9
95.08611	22.0
97.06525	2.3
97.10149	3.8
105.04486	2.9
105.07041	16.9
107.08598	47.3
109.06568	1.1
109.10151	10.1
117.07009	2.5
119.06064	1.7
119.08585	9.4
121.06551	1.0
121.10143	37.3
123.08072	1.1
123.11683	2.0
129.06949	1.1
131.08531	4.4
133.10155	9.8
135.08138	1.2
135.11697	36.9
143.08554	2.0
147.11697	6.1
149.09578	1.2
149.13254	16.0
153.08989	1.0
159.11679	1.8
161.13263	3.2
163.14897	4.9
171.11664	1.8
171.76387	1.1
173.13246	1.6
175.14864	1.7
181.12210	1.1
185.13223	1.4
192.04980	0.8
193.12283	2.0
195.13809	1.0
199.14812	1.0
203.49367	1.1
210.56970	0.9
213.16354	1.6
221.15402	1.8
235.16925	2.9
235.29370	0.9
237.61090	0.9
248.56599	0.9
259.20593	2.4
277.21631	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	6.9
55.05517	20.1
57.03442	9.8
57.07078	4.3
63.02959	1.8
65.03934	2.8
67.05511	38.2
69.07074	15.4
69.83643	7.1
69.84062	3.3
71.04982	3.7
77.03913	2.5
79.05495	75.9
81.06596	3.0
81.07064	49.0
83.04990	4.4
83.08614	9.9
85.06555	2.7
87.36665	2.4
89.68932	1.9
91.05485	29.1
93.07048	100.0
95.05003	4.9
95.08612	38.6
97.06525	3.0
97.10165	6.0
98.21471	2.2
102.41980	1.9
102.62660	2.1
105.07033	21.7
107.05007	2.4
107.08603	60.4
109.06500	4.2
109.10172	15.7
116.39787	2.1
117.07014	4.7
119.08582	14.6
121.10149	56.1
123.08009	2.2
123.11715	5.9
131.08586	6.2
133.10129	10.6
135.11696	45.9
137.09610	2.3
145.10132	5.3
147.11708	11.2
149.09621	3.8
149.13263	26.0
159.11708	6.5
161.13280	6.0
163.11169	4.6
163.14870	5.9
171.11719	3.0
173.13292	2.5
175.14848	2.9
185.13235	3.1
187.14882	7.8
199.14856	2.2
205.15904	4.2
213.16467	2.9
221.15427	3.3
235.16940	2.7
241.19554	2.5
259.20715	6.8
277.21658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	6.4
55.01862	3.4
55.05516	19.1
57.07067	4.6
62.05457	1.7
65.03903	3.1
67.05186	3.1
67.05509	43.5
69.07074	18.2
71.08637	18.2
78.69704	1.8
79.05498	69.1
81.03419	3.3
81.06598	3.9
81.07057	57.6
83.04972	5.6
83.08620	12.1
91.05473	29.3
93.07048	100.0
95.04971	7.1
95.08614	36.7
97.06504	7.5
97.10198	3.6
98.20805	4.4
99.08088	13.2
105.04523	3.0
105.07037	22.7
107.04947	4.3
107.08606	54.0
109.06506	3.6
109.10178	14.7
117.07018	4.9
118.71304	2.0
119.08618	13.2
121.06563	2.2
121.10153	53.2
123.11713	4.0
129.06963	2.6
131.08557	5.6
133.10132	14.4
135.11702	69.7
137.09586	2.8
145.10117	4.4
147.11722	10.5
149.09659	2.1
149.13268	26.0
151.11166	10.5
159.11722	5.9
161.13292	9.1
163.11246	4.7
163.14827	3.1
171.11659	3.2
175.14792	2.9
179.14307	22.6
185.13214	2.7
189.16347	2.4
195.13824	3.7
203.14386	2.6
207.13739	3.4
221.15350	7.0
235.17053	3.6
241.19560	2.5
259.20578	4.9
277.21640	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03949	1.3
55.05515	6.7
57.07076	8.7
59.05012	1.1
65.03965	1.3
67.05507	23.9
69.07071	19.3
69.62965	3.8
69.63389	3.0
71.04990	9.7
71.08638	1.7
79.05496	9.3
81.07056	94.0
82.29707	0.9
83.08603	5.7
84.57861	1.0
86.23007	1.0
91.05495	5.5
93.07046	15.2
95.04964	1.2
95.08605	100.0
97.06532	2.0
97.10163	3.8
99.08109	2.9
103.05469	6.3
105.07023	5.7
106.31042	1.0
107.04954	3.9
107.08582	12.6
108.93835	1.0
109.10157	45.6
111.11697	3.0
119.08554	5.6
120.08111	3.2
121.10138	11.2
123.10833	2.2
123.11704	34.7
127.11196	6.4
128.41484	0.9
131.04927	46.3
131.08559	1.3
133.10115	5.6
135.11690	13.5
137.13258	64.1
139.11177	3.7
141.12720	2.4
145.06422	1.4
147.11707	2.2
149.13252	4.6
151.14865	1.5
153.12744	9.3
157.10075	0.9
159.04445	6.5
159.05605	1.1
161.13263	3.3
163.14807	3.4
165.12672	1.7
175.14845	2.0
177.05470	5.1
177.16321	1.2
178.07751	1.2
179.17848	1.2
181.15985	1.6
189.16414	3.6
191.17934	8.6
203.08595	1.2
203.17915	3.2
205.06462	1.3
206.07346	1.6
231.08032	1.1
231.10036	1.8
234.06721	2.4
249.08997	2.3
259.24252	7.1
262.06332	1.8
277.08609	10.5
277.14548	1.8
277.21884	2.4
277.25247	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2528
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03939	3.6
55.05514	20.3
56.79977	0.9
57.02942	1.0
57.07075	13.9
65.03935	3.0
66.76322	1.0
67.05507	88.7
69.07069	20.7
69.30274	9.7
71.04991	2.4
71.08624	6.4
73.06563	1.3
77.03892	1.1
79.05496	42.0
81.03407	1.4
81.07059	100.0
83.04989	1.9
83.08620	12.8
85.06536	3.1
85.10175	2.8
90.50504	1.0
91.05482	18.8
93.07047	41.8
94.31404	1.1
95.04982	3.0
95.08614	93.5
97.06532	6.8
97.10175	10.9
99.08091	6.4
100.45921	1.1
105.04518	1.7
105.07037	15.6
107.08595	22.2
109.06512	1.9
109.10162	44.8
111.08090	4.9
111.11711	2.6
113.09692	2.2
119.08585	12.7
121.10158	24.9
123.08119	2.8
123.11717	19.2
125.09653	1.3
127.11195	1.6
131.08582	1.8
133.10149	16.0
135.11699	23.2
135.12723	1.4
137.09590	2.1
137.13257	9.4
141.12726	2.1
145.10139	1.6
147.11714	9.3
149.13283	10.7
151.11121	1.6
151.14851	5.3
154.05322	1.0
161.13240	9.4
163.14838	6.5
165.12758	1.2
165.16382	4.8
165.41608	1.0
171.11563	1.2
175.14862	7.8
177.16420	4.5
179.10698	2.5
179.14220	1.1
179.17900	6.7
181.97546	1.2
189.16412	4.0
193.19572	1.1
193.43250	1.1
203.17917	1.3
217.19519	1.4
221.19011	1.3
235.16867	5.3
259.24228	29.4
277.09094	1.1
277.18277	4.0
277.21698	18.2
277.25281	62.6
290.75616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1752
Annotation	7alpha-Hydroxyphlegmariurine B
Peak:m/z	Relative Intensity
51.52142	0.7
53.03939	2.0
55.01874	3.6
55.05516	30.4
57.03424	1.8
57.07081	1.0
59.04990	1.1
62.04483	0.8
62.06075	0.8
67.05508	13.4
69.03417	2.5
69.07083	5.9
71.03284	1.7
71.04980	0.8
79.05498	21.3
80.05803	1.0
81.07059	13.1
82.07400	1.4
83.04967	2.3
83.08627	11.4
86.09750	0.7
91.05483	4.4
93.07056	7.7
94.07384	2.8
95.08615	3.8
96.08962	0.9
97.06484	1.0
97.10175	23.3
105.07032	2.0
106.06603	1.2
107.04955	1.4
107.08604	15.7
108.08126	25.5
108.08867	1.9
109.10150	3.2
111.08089	1.1
112.52818	0.8
117.07030	2.8
119.08590	1.6
120.08115	5.1
121.06521	1.0
121.10155	1.3
121.78468	0.6
122.10443	1.0
123.11660	0.9
125.09646	17.3
132.08017	1.0
133.10165	1.0
134.06021	90.5
135.08055	6.0
136.08437	0.8
137.09596	0.7
138.06340	1.1
146.09587	5.0
149.02379	5.9
151.11290	0.8
152.07973	0.8
153.08099	0.7
153.09154	4.9
166.96806	0.8
171.10176	1.0
184.57054	0.7
186.06267	0.7
189.11234	6.3
204.14668	0.7
214.15874	4.7
216.17500	1.7
232.17026	3.5
242.15353	2.4
250.12686	1.4
260.01660	0.7
260.16476	100.0
261.16846	1.3
278.08994	1.6
278.17502	17.9
278.22015	3.6
278.24664	0.7
279.10196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.1
61.02911	0.7
69.03083	0.5
69.03432	0.6
70.06586	0.6
71.01785	1.1
71.95252	1.3
82.83802	0.5
84.96052	0.6
85.02909	1.2
91.03343	0.5
93.00523	0.5
98.97588	100.0
109.70309	0.4
110.07191	0.8
110.97573	26.3
112.18233	0.5
112.99128	0.7
116.98631	22.4
117.31233	0.4
124.99126	1.3
127.03914	0.5
128.98608	12.3
130.97084	0.5
131.00174	0.5
134.99643	3.4
136.96899	0.5
143.00154	1.3
146.99683	2.1
149.02365	1.6
152.98627	0.5
155.57814	0.5
155.59238	0.6
158.99664	43.4
161.01224	0.6
170.05209	1.4
170.99655	11.4
177.00720	28.0
182.99716	1.0
189.00732	16.3
195.01808	1.3
200.02357	0.6
201.00720	1.3
207.01772	6.7
219.01768	5.3
237.02818	8.8
249.02910	0.8
255.03886	2.5
279.03867	5.2
284.23441	0.5
297.05161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.4
70.57388	1.9
71.95245	1.2
98.97586	100.0
101.00905	2.5
110.97570	14.5
113.00928	0.7
116.98621	25.8
119.01923	2.4
124.99073	0.7
128.98613	7.7
134.99675	4.3
136.94017	2.3
140.98604	0.7
143.00165	2.6
143.01910	1.2
146.99628	1.6
153.50542	0.6
158.99661	48.6
170.99634	5.9
177.00728	38.9
177.02220	1.4
189.00723	8.9
195.01807	2.2
207.01732	4.4
218.99748	1.1
219.01740	6.7
233.86295	0.7
237.02809	9.6
255.03917	5.6
279.04047	5.0
286.90155	0.7
297.05045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
53.03931	1.0
57.07061	0.4
65.69714	0.2
67.05496	0.3
69.32879	1.9
74.05359	0.2
77.03963	0.6
79.05489	0.3
81.07063	0.5
91.05474	0.7
92.52130	0.2
95.00504	0.9
95.04976	0.9
95.08609	0.5
97.36602	0.2
98.21542	0.4
104.05512	0.2
105.04514	0.5
113.09589	0.2
115.05429	0.3
122.99957	0.4
126.20187	0.3
128.06219	0.9
129.06979	0.9
141.01003	1.0
149.02338	2.7
154.07753	0.8
171.03580	2.0
173.05161	7.9
183.03603	1.0
201.04648	35.9
202.05064	0.5
205.10193	0.2
219.05704	44.6
220.06055	0.7
236.63127	0.2
242.07417	0.4
246.71971	0.3
251.10851	0.3
279.09338	100.0
280.09671	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	279.1016
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
50.90876	0.3
54.61600	0.3
55.01861	0.5
57.07069	1.0
67.05507	0.5
69.07061	0.5
69.76141	1.2
77.91264	0.3
78.31274	0.3
79.05491	0.6
81.07052	0.7
86.09700	1.5
91.05457	0.6
93.07057	0.4
95.04943	0.4
95.08613	0.6
102.23799	0.3
102.44904	0.3
103.05450	0.4
105.07021	0.4
107.04938	1.0
115.05457	0.5
117.06949	0.3
119.08559	0.5
120.08105	6.0
121.02840	0.7
126.23579	0.4
128.06201	0.7
129.07010	3.2
133.06517	0.3
133.10115	0.5
135.04442	0.4
145.06483	0.6
146.07204	0.4
147.04317	0.4
149.02341	7.9
153.06941	0.5
155.04907	1.5
158.80009	0.3
165.07011	3.3
171.04440	0.6
177.07014	0.7
178.07849	0.7
179.08542	0.9
180.09288	1.5
189.06956	5.9
189.08514	0.4
190.05975	0.4
190.07779	26.6
191.08557	43.2
192.09019	0.6
193.06516	0.8
193.10066	0.4
195.08067	0.5
201.07059	1.8
202.07771	2.3
203.08588	1.3
205.06488	2.8
205.10153	0.4
207.08049	3.7
208.08864	4.8
215.08669	0.4
217.06514	0.8
218.07271	15.8
219.08057	55.5
220.08818	5.6
221.06108	1.7
221.09402	0.5
223.11227	0.6
229.07837	2.0
231.08105	0.5
233.09593	1.1
234.10452	0.5
235.07553	5.3
236.08328	14.7
237.09039	0.5
246.06726	1.8
247.07547	23.3
248.08267	3.2
249.05330	0.8
249.09142	0.5
250.09802	0.4
251.10678	100.0
252.10983	2.2
261.09103	2.8
263.07031	1.7
264.07813	8.6
279.10165	88.9
280.10568	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	279.1017
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
55.01854	0.6
55.05507	0.4
57.07061	1.1
57.15759	0.3
63.49769	0.2
67.05501	0.7
67.69937	0.3
67.88311	0.2
69.07066	1.3
69.95518	0.3
70.62466	0.2
70.82573	0.3
70.82896	0.4
79.05499	0.4
81.07048	1.3
83.08603	0.6
86.09706	4.5
91.05450	0.5
93.07039	0.5
95.08640	1.4
97.10194	0.3
98.14835	0.3
105.06978	0.3
107.04952	0.5
107.08575	0.4
109.10149	0.9
115.05433	0.4
119.08582	0.4
120.08102	1.2
121.10139	0.4
123.11719	0.5
125.09583	0.3
128.06229	0.7
129.07011	2.8
135.04382	0.4
135.11736	0.3
137.13249	0.3
145.06476	0.7
146.07269	0.5
149.02347	4.9
152.06161	0.3
153.07048	0.4
155.04890	1.6
155.06004	0.4
155.19650	0.3
157.06532	0.3
163.03934	0.7
165.06992	3.2
167.08511	0.4
171.04477	0.4
176.06126	0.6
177.07001	0.5
178.07788	0.6
179.08600	1.3
180.09334	1.5
181.06407	0.4
189.06984	5.6
190.05981	0.6
190.07770	27.4
191.08553	43.4
192.08974	0.9
193.06438	0.6
193.10114	0.5
194.07234	0.4
195.08044	0.5
201.05428	0.3
201.06995	1.6
202.07790	2.0
203.08516	1.4
205.06516	2.6
205.10236	0.4
206.07378	0.6
207.08063	3.7
208.08849	4.9
215.08623	0.4
217.06509	1.1
218.07275	16.8
219.08051	54.5
220.08815	5.6
221.05992	2.0
221.09526	0.7
223.11198	0.4
229.07756	1.5
231.08040	0.5
233.05974	0.4
233.09654	1.5
234.06702	0.3
234.10373	0.3
235.07513	6.0
236.08322	14.0
237.09142	0.4
246.06796	1.9
247.07553	22.0
248.08327	2.9
249.05479	0.6
249.09019	0.6
250.09805	0.4
251.10664	100.0
252.10979	1.7
261.09070	2.9
261.25650	0.3
263.07047	1.1
264.07825	8.1
279.10159	84.7
280.10532	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03939	0.3
57.07067	0.9
60.04515	1.1
61.64409	0.2
65.04535	0.2
67.05499	0.3
69.07060	0.7
70.06590	0.9
78.83846	0.2
79.05489	0.3
81.07059	0.4
83.38694	0.2
84.01912	0.2
84.08150	1.8
86.09709	11.0
91.05470	0.8
93.07043	1.8
95.08582	0.2
103.05472	6.1
105.07033	0.3
116.07109	0.5
117.07805	0.2
120.08109	100.0
121.02839	0.4
121.08421	0.7
129.10251	3.3
132.10211	2.9
145.10075	0.3
149.02348	4.7
167.03409	0.2
173.12909	1.6
194.02701	0.3
194.65836	0.2
219.08177	0.4
222.02365	0.3
233.16527	2.7
242.18616	0.5
251.10696	0.7
279.10223	0.6
279.17062	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	279.1704
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07076	0.7
65.48386	0.4
67.05486	0.6
69.07072	12.3
70.97807	0.7
81.07061	0.3
86.09709	100.0
86.67388	0.3
87.10025	0.7
93.07069	0.4
120.08113	14.6
132.16827	0.4
133.90755	0.4
144.76312	0.4
145.97816	0.4
149.02336	5.3
161.47929	0.4
166.08652	5.2
178.03241	0.6
197.65965	0.4
251.10782	0.4
262.91479	0.4
272.92157	0.4
279.10144	0.6
279.16986	2.0
304.85468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
70.33407	1.4
86.09714	94.3
91.05486	0.5
93.07056	1.8
103.05485	5.8
107.78411	0.6
109.46806	0.5
120.08116	100.0
121.08438	1.1
124.08714	0.6
132.10201	1.5
133.36858	0.5
149.02330	1.3
166.08652	9.3
166.09979	0.8
204.04378	0.9
229.13434	1.0
233.16536	1.8
251.10678	1.2
279.09882	1.5
279.16992	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.78807	0.5
53.03956	1.3
54.48304	0.5
55.01868	0.7
55.05511	11.4
57.03426	1.2
57.07064	2.2
64.00703	0.5
65.03934	2.0
67.05507	96.4
69.07071	9.4
69.21767	5.2
71.04993	1.4
79.05495	14.4
81.07058	100.0
82.07398	1.2
83.04974	1.7
83.08622	6.2
85.06562	1.4
91.05495	5.0
93.06485	1.2
93.07048	14.3
95.08611	81.6
97.06536	1.0
97.10188	3.5
105.07020	4.0
107.08597	9.5
109.06541	0.6
109.10163	45.3
111.11712	1.1
117.07005	1.6
119.08585	3.8
121.10144	8.1
123.08079	1.4
123.11711	25.2
127.07564	1.1
131.08563	3.2
133.09256	0.6
133.10103	3.4
135.08064	0.6
135.11700	5.7
137.09636	1.5
137.13254	9.4
141.09137	0.7
145.10159	2.7
147.11697	2.5
148.13023	0.6
149.02350	3.9
149.09605	2.0
149.13286	2.8
151.11212	1.2
151.14825	2.2
159.11711	3.1
161.13237	1.7
163.11206	2.1
163.14803	1.8
165.12767	1.1
167.10681	1.2
173.13306	3.0
176.03563	0.6
177.12782	1.4
177.16389	1.4
181.12239	1.5
187.14830	2.7
191.14291	1.0
195.13780	2.8
205.15913	1.3
209.15399	3.3
219.21013	0.8
223.16917	3.7
237.18506	1.3
243.21060	2.6
261.22040	4.8
279.19754	2.5
279.23199	36.5
280.23569	0.9
288.71548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05505	9.1
55.23012	1.1
57.07058	3.0
59.06180	1.2
65.03922	2.7
67.05506	98.4
69.07067	8.2
71.04951	1.3
79.05489	12.1
81.07058	100.0
83.08627	6.0
91.05476	3.6
93.07046	8.6
95.08611	73.4
97.06505	1.6
97.10161	1.9
99.54290	1.4
105.07008	3.1
107.08591	6.1
109.10159	43.7
111.08133	1.2
114.55659	1.3
118.58479	1.4
119.08587	3.5
121.10144	5.6
123.08048	1.4
123.11712	24.6
131.08572	3.4
135.11667	3.3
137.13278	8.5
145.10075	2.5
149.02332	8.8
149.13269	2.2
151.14836	1.8
159.11687	1.6
163.11206	1.3
166.41339	1.2
167.63716	1.2
173.13261	1.9
177.12708	2.1
187.14815	2.5
191.14297	1.8
195.13957	1.5
209.15315	1.9
223.16959	2.5
250.62933	1.3
261.22137	3.0
279.23215	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03944	1.2
55.01882	0.6
55.05515	9.1
57.03427	1.1
57.07074	2.8
65.03938	2.8
67.05506	88.3
69.07069	9.9
71.04996	1.7
71.08691	0.8
71.09052	1.1
74.11246	0.5
74.14559	0.4
79.05492	13.6
81.07058	100.0
83.04964	0.6
83.08614	4.9
85.06535	1.1
91.05466	3.7
93.07048	12.1
95.04992	0.7
95.08609	77.4
96.08916	0.6
97.06525	1.5
97.10161	3.1
105.07030	3.3
107.08592	8.1
109.06526	1.2
109.10160	45.5
111.11720	1.4
117.07041	1.8
119.08581	4.0
121.10134	7.3
123.08088	1.2
123.11716	23.1
127.07542	0.6
131.08591	3.7
133.10115	3.0
135.08084	1.4
135.11711	3.7
137.09627	1.3
137.13246	10.0
145.10133	2.5
147.11702	2.5
149.02327	3.8
149.09610	1.6
149.13223	3.1
151.11224	0.9
151.14809	2.7
153.09065	0.8
159.11702	3.1
161.13286	1.9
163.11198	1.8
163.14813	1.5
165.12700	1.0
165.16455	1.2
167.10635	1.4
173.13226	2.9
175.14842	0.5
176.43976	0.6
177.12761	1.9
177.16377	1.4
179.14305	0.7
181.12178	1.8
187.14853	2.9
191.14276	1.3
195.13826	1.8
205.15854	0.7
209.15349	2.6
217.19505	0.6
219.21164	1.2
223.16998	2.9
237.18529	1.1
243.21082	3.2
261.22083	3.5
269.22351	0.5
279.19980	1.9
279.23196	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01888	0.7
55.05513	7.2
57.07071	2.4
65.03946	2.3
67.05506	94.9
69.07072	7.5
69.46288	5.2
71.04988	1.9
71.08633	2.1
79.05495	12.9
81.07058	100.0
83.04980	2.1
83.08617	6.1
85.06539	1.3
88.24497	0.7
91.05478	5.1
93.07055	11.1
95.08611	77.4
97.06531	1.7
97.10182	2.5
98.21526	1.5
99.08049	1.0
105.03719	0.7
105.07030	3.3
107.08596	9.0
107.97504	0.8
109.06512	1.7
109.10163	25.7
111.08118	1.5
117.07030	2.4
119.08576	3.0
121.10141	6.1
123.08040	1.2
123.11717	15.2
125.01042	1.0
131.08560	5.6
131.36996	0.8
133.10139	3.4
135.08052	1.6
135.11739	6.2
137.09590	0.9
137.13266	9.3
145.10139	2.9
147.11674	2.5
149.02345	8.5
149.09624	1.6
149.13284	3.9
151.14848	3.4
159.11671	2.1
161.09024	0.8
161.13322	1.4
163.11162	2.6
163.14851	2.2
165.12755	1.4
165.16360	1.0
167.10722	1.0
173.13289	6.6
177.12814	2.9
177.16373	1.1
181.12236	1.6
187.14824	2.7
191.14340	3.1
195.13812	3.3
209.15347	3.5
219.05786	1.1
223.16911	2.4
230.77313	0.8
243.21089	3.0
261.22269	2.0
267.12289	0.9
279.23203	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	279.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18612	1.2
53.03934	2.6
53.30035	0.9
53.46271	1.2
55.01866	2.3
55.05516	61.4
57.03428	2.4
57.07080	35.0
65.03930	3.5
67.05509	68.5
69.07072	83.1
70.18213	4.0
71.04987	4.1
71.08640	13.0
73.24149	1.1
79.05499	34.9
81.07063	79.8
83.04977	2.6
83.08624	64.6
85.06533	5.4
85.10189	7.3
91.05493	5.1
93.07050	43.8
95.04951	1.5
95.08615	75.8
97.06532	18.4
97.10176	44.8
98.20734	1.3
99.08093	4.3
105.07037	2.1
106.45506	1.0
107.08598	26.7
109.10164	39.4
111.08096	12.7
111.11734	14.6
113.09644	1.3
119.08595	1.4
121.02850	3.8
121.04000	1.0
121.10148	56.4
123.11712	17.1
125.09633	4.7
125.13268	3.3
127.11189	2.2
131.08592	1.0
133.10120	1.3
135.11705	44.2
137.13258	7.4
139.11166	4.4
141.12761	1.3
149.02357	68.2
149.13283	19.2
151.14787	3.4
153.12726	1.1
163.14841	8.5
165.16376	4.3
167.03339	1.0
167.14278	1.4
169.15855	1.1
177.16426	3.7
179.17931	4.5
183.17415	2.1
191.17992	2.1
200.86664	1.0
201.04665	2.0
205.19592	2.7
209.13240	1.3
219.05711	3.9
261.25803	39.8
279.09402	8.0
279.17328	3.2
279.26828	100.0
295.17630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1293
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
53.03938	1.5
55.05518	1.5
56.05022	4.2
56.96572	2.5
57.07064	4.6
58.62293	1.2
60.04515	2.8
62.68706	1.2
65.21768	1.5
65.57436	1.7
67.05499	2.8
69.03432	1.8
69.07061	1.5
69.98821	5.8
70.02959	12.8
70.06591	11.4
72.08163	8.4
79.05487	4.0
81.07059	1.8
84.04501	2.0
84.08144	12.2
84.47298	1.3
85.02912	1.9
86.09689	6.3
87.05596	51.4
88.03994	3.0
91.05480	90.9
95.04974	1.8
95.08598	2.1
95.37407	1.3
97.02899	1.7
98.02435	4.4
98.97585	10.5
99.97973	1.6
103.03979	1.9
103.05466	37.2
104.05334	2.6
107.04954	35.0
108.05273	6.9
108.10004	1.4
110.07161	2.7
110.10545	1.4
115.05421	1.6
116.07044	1.8
116.98634	3.4
120.08103	86.6
120.98445	1.3
121.02861	1.5
123.04368	1.9
129.06990	6.2
129.10239	4.2
130.06516	16.7
131.04919	16.3
131.96825	1.5
132.06786	2.2
132.08012	1.7
132.95827	1.4
133.07608	2.3
136.07588	3.5
144.08092	6.4
145.06491	3.6
146.05994	1.5
147.04358	2.0
147.09172	7.2
149.02353	24.5
149.05969	6.3
150.02669	22.3
152.72897	1.4
154.06471	4.9
157.06474	10.5
158.99635	2.3
160.00037	1.6
165.04813	24.6
166.08646	30.0
172.07558	26.5
173.05933	2.7
175.08669	65.2
177.00706	1.9
182.06030	23.3
189.10176	2.8
193.04309	72.7
198.80702	1.5
200.07063	100.0
201.07396	2.8
203.08162	3.8
217.09740	8.9
221.09201	47.3
228.06586	4.5
234.12402	11.6
237.02635	1.6
245.09262	12.0
246.07620	69.6
262.12192	2.9
263.10291	23.1
280.07617	7.4
280.12610	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	280.1907
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
53.03939	0.6
55.05503	1.1
64.47653	0.6
67.05515	8.0
69.03430	4.3
69.36520	4.9
70.06597	5.2
79.05492	6.2
81.03414	1.4
81.07061	6.2
83.08640	1.0
86.06071	15.9
88.04134	0.7
91.05474	3.6
93.07054	6.1
94.06552	0.8
95.04960	1.2
95.08596	2.0
96.08130	5.8
96.08761	0.7
96.08926	0.7
97.06528	0.8
98.06052	12.6
98.21704	0.8
105.07009	1.0
107.04958	0.9
107.08576	1.9
112.07541	0.8
117.07008	1.9
117.88098	0.6
124.07591	11.4
131.08563	1.8
133.10153	1.1
144.26848	0.6
149.02371	2.6
150.02672	2.6
150.09117	2.0
159.11670	2.5
177.12750	100.0
182.06200	0.7
241.61635	0.7
262.18079	5.3
265.07578	0.7
280.10052	2.3
280.19238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84082	0.3
55.01876	0.8
55.05512	1.7
56.28408	0.3
57.03443	0.7
57.07078	0.9
67.05506	2.9
69.03442	0.7
69.07073	2.6
70.06602	0.6
71.04993	0.8
71.08636	1.3
71.48774	0.5
74.28336	0.4
75.53961	0.3
76.10909	0.3
79.05494	3.1
79.17683	0.3
81.07053	3.9
83.04998	0.9
83.08630	1.3
85.06548	0.5
85.34163	0.3
85.68155	0.3
86.09727	0.4
89.40407	0.3
91.05476	2.4
93.07053	2.6
95.04973	0.7
95.08619	4.1
97.02895	0.3
97.10190	0.8
102.21676	0.3
105.07025	1.5
106.06575	0.9
107.04951	2.3
107.08606	1.2
109.01156	0.7
109.06524	0.5
109.10137	2.2
111.04450	0.7
111.08094	0.5
116.04977	0.7
117.05766	0.5
119.04909	0.5
119.08598	1.4
121.06512	0.9
121.10139	0.9
123.02673	0.4
123.11725	1.3
128.06252	0.3
129.07027	0.6
130.66829	0.3
131.08607	0.6
132.04442	1.2
133.10165	0.7
134.06023	15.8
135.08055	0.3
135.11641	0.5
137.13272	0.5
143.08582	0.4
145.10117	0.4
146.06068	0.5
147.06787	1.2
147.07875	0.4
147.11655	0.9
149.13306	0.5
150.02609	0.7
150.03729	6.7
157.10211	0.3
159.11768	0.4
161.05911	0.4
161.13246	0.5
167.07111	0.8
168.13846	1.5
171.11725	0.8
175.11226	0.5
177.40875	0.4
178.03229	100.0
179.04002	1.9
180.04819	2.7
181.06441	0.4
189.35803	0.3
192.04764	0.4
196.13332	1.7
203.59695	0.3
206.02710	3.8
206.07231	0.3
207.08032	0.6
207.11772	0.5
210.06653	0.6
211.11201	0.4
219.08160	0.5
221.09718	0.5
223.07510	0.8
224.03789	9.5
225.09134	0.6
234.06775	0.4
235.05396	5.4
235.07565	0.9
238.09653	0.4
247.60905	0.3
249.09120	0.7
250.09871	1.0
253.08577	0.4
253.12256	0.5
263.04843	0.4
263.23929	0.3
266.09204	0.6
281.05878	16.7
281.11801	4.1
281.15015	0.7
281.18832	1.1
281.22531	0.9
281.28387	0.7
299.06137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02361	1.3
53.03953	11.3
55.01863	3.6
55.05511	35.2
57.03438	29.4
57.07061	3.4
59.05001	1.3
65.03924	4.3
66.26215	1.2
67.05505	85.0
69.03412	4.0
69.06743	1.7
69.07070	24.6
69.59717	8.8
71.04997	7.4
73.06542	1.7
77.03893	1.7
79.05494	100.0
80.05849	1.2
81.03423	17.1
81.07056	83.2
83.04498	1.7
83.04982	28.9
83.08613	11.2
85.02885	1.9
85.06536	4.1
85.50111	1.2
91.05481	69.8
93.07041	70.6
95.04374	2.0
95.04962	28.7
95.08610	57.7
97.02881	3.7
97.06531	7.9
97.10159	8.0
98.97572	3.0
99.08025	1.4
103.05468	2.8
105.04518	3.2
105.07032	56.7
106.06544	8.8
107.04392	1.3
107.04961	12.6
107.08598	26.8
109.06511	8.8
109.10157	13.8
111.08069	2.9
113.09634	1.6
115.05437	2.3
117.07008	8.8
117.62198	1.3
119.08583	30.6
121.06496	3.2
121.10130	10.8
123.08031	7.7
123.11691	8.9
125.09560	3.3
125.55861	1.3
127.07545	1.8
128.06200	4.5
129.06992	17.2
130.07745	1.6
131.08554	2.4
133.06511	2.7
133.10126	14.8
135.08061	1.7
135.11674	4.8
137.09630	2.1
137.13268	16.1
141.09099	1.5
143.08554	10.5
145.10110	12.8
147.08034	5.8
147.11682	40.3
149.13275	1.9
161.05872	1.9
161.09608	5.7
161.13255	19.3
165.09041	1.4
169.10246	1.5
171.10292	2.3
171.11685	30.3
175.14761	1.8
177.16409	2.0
189.12764	11.1
191.12000	2.6
207.13806	12.6
245.22569	1.5
253.12392	1.3
263.16684	1.5
263.23566	1.7
281.08124	3.0
281.11682	3.2
281.15045	1.4
281.17438	37.3
281.24756	6.5
282.09775	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	10.0
55.01878	4.2
55.05512	35.6
57.03198	2.2
57.03439	27.4
65.03942	4.0
66.46766	1.7
67.05507	79.2
69.03419	2.2
69.07076	15.7
70.11195	5.7
73.06541	3.3
77.03926	3.6
79.05497	100.0
81.03421	15.0
81.07061	68.0
83.04981	37.3
83.08618	9.1
85.06525	3.8
91.04924	2.7
91.05485	59.9
93.07047	71.6
95.04977	21.6
95.08613	39.6
97.06525	5.2
97.10165	4.5
98.20847	3.4
102.23165	2.0
105.07037	47.3
107.04917	9.5
107.08604	21.2
109.06517	7.9
109.10155	7.1
117.07018	9.7
119.08589	26.6
121.10130	6.0
123.08133	9.0
128.06194	3.0
129.07019	19.7
133.10153	9.4
135.11656	3.4
143.08601	10.1
145.10165	10.0
147.08072	3.9
147.11703	35.4
160.04297	1.7
161.09639	6.6
161.13220	13.9
171.11710	28.4
176.03915	1.7
178.92708	1.7
189.12756	9.5
207.13875	13.3
211.69620	2.1
281.17487	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33258	0.7
53.03942	3.1
55.01870	1.6
55.05517	10.3
57.03446	7.0
57.07066	3.2
64.44132	0.7
65.03947	0.9
67.05513	22.3
68.36011	0.7
69.07067	7.0
69.76726	2.6
69.77124	1.5
71.04996	2.2
71.08630	0.9
79.05500	25.7
81.03416	4.9
81.07060	19.8
83.04991	8.2
83.08633	4.5
85.06534	1.8
91.05486	18.3
92.26133	0.7
93.07047	17.8
94.52195	0.7
95.04988	6.0
95.08063	1.3
95.08613	15.0
97.06539	1.8
97.10155	3.1
105.04527	1.1
105.07040	13.8
107.04962	7.0
107.08598	6.8
109.06517	3.4
109.10163	4.4
110.10426	0.9
111.11796	0.7
117.07023	3.1
119.08598	8.4
121.06519	1.9
121.10103	2.3
123.08057	1.5
123.11687	1.8
125.09675	1.5
125.13287	0.8
129.06996	3.6
131.08603	1.6
132.04466	1.0
133.10150	3.4
134.06030	15.8
135.08093	1.0
135.11732	1.0
137.05992	0.9
137.13254	1.3
143.08618	2.8
145.10112	4.3
147.06816	0.9
147.08032	1.3
147.11713	10.2
150.03748	6.5
157.10126	0.7
161.09673	1.5
161.13269	4.3
165.06955	0.9
171.11679	7.2
175.11145	0.8
178.03232	100.0
179.03844	2.0
180.04803	3.6
189.12778	2.3
196.13339	1.2
199.59074	0.8
206.02779	3.9
207.07928	1.0
207.13823	2.7
221.09639	1.0
224.03769	8.7
235.05411	5.2
235.07414	1.1
239.47128	0.7
249.09093	1.0
250.09877	1.3
253.11792	0.9
263.19858	0.7
264.54028	0.8
281.05865	14.5
281.08197	1.2
281.11517	5.6
281.17419	9.3
281.22244	1.2
281.25272	0.8
281.28387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.67627	1.7
53.03946	7.6
55.01873	5.4
55.05511	35.7
57.03439	27.8
65.03952	3.7
67.05507	77.7
69.07066	15.4
70.00903	5.8
70.01311	3.4
71.04979	2.2
73.06551	2.3
79.05498	100.0
81.03422	14.3
81.07059	59.7
83.04992	30.1
83.08619	8.7
85.06530	2.6
91.05484	63.3
93.07044	72.3
95.04969	22.4
95.08604	32.5
97.06535	6.8
97.10167	5.7
105.04497	5.1
105.07037	48.6
107.04943	9.3
107.08607	25.1
109.06523	6.8
109.10184	9.9
109.21344	2.0
114.18446	1.9
117.07018	10.6
119.08585	31.5
121.06488	2.0
121.10155	5.4
123.08079	5.8
127.07533	3.0
128.06265	2.6
129.07018	21.1
131.08572	3.7
133.10130	15.6
135.11731	3.8
143.08571	6.2
145.10136	10.0
147.08046	3.8
147.11688	41.0
161.09576	3.8
161.13263	14.9
171.11702	26.0
189.12685	9.6
201.52168	1.9
207.13855	12.5
281.08044	2.4
281.17502	36.1
282.83890	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03960	9.1
55.01857	6.0
55.05515	32.9
57.03441	29.7
57.07061	4.3
64.81490	1.8
64.85413	2.0
65.03931	6.3
67.05508	95.5
69.03417	3.8
69.07075	22.4
71.04990	4.5
71.08614	2.6
71.48871	3.6
73.06558	3.1
79.05495	100.0
81.03419	12.9
81.07059	64.0
83.04984	37.7
83.08630	11.4
85.06541	5.3
91.04912	2.8
91.05484	63.6
93.07044	75.9
95.04976	24.4
95.08609	43.0
97.06550	5.7
97.10171	9.6
103.05486	2.3
105.04523	3.9
105.07034	51.5
107.04962	6.4
107.08586	18.3
109.06551	8.9
109.10188	11.3
111.84455	1.8
114.54894	2.1
114.89016	1.8
115.69424	1.9
117.07023	14.2
119.08583	30.6
121.06505	3.1
121.10136	6.5
123.08103	9.9
127.07520	2.1
128.06201	3.1
129.07019	16.1
131.08597	4.3
133.10130	15.6
135.11685	5.0
143.08568	10.4
145.10123	12.6
147.08057	2.8
147.11700	36.9
161.09610	6.7
161.13261	13.0
171.11688	27.2
181.10126	2.1
189.12717	11.3
206.68445	1.9
207.13803	13.3
220.51460	2.0
253.25284	3.9
270.29486	1.9
281.14801	3.8
281.17542	27.7
281.22607	5.0
282.28018	2.7
299.06097	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	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.03158	1.6
53.03942	3.4
55.01861	2.3
55.05514	62.5
55.99223	1.2
57.03447	6.7
57.07076	27.7
64.52478	1.2
64.93912	1.3
67.05511	60.3
69.03432	2.7
69.07072	100.0
71.04980	4.7
71.08642	16.1
71.49194	2.1
79.05083	2.0
79.05500	25.0
81.07062	80.9
82.07423	1.8
83.04965	6.5
83.08624	67.6
84.95718	1.4
85.06538	6.1
85.10170	5.6
91.05486	27.5
93.06493	2.8
93.07047	37.6
95.04963	8.5
95.08616	72.3
97.06532	11.5
97.10174	61.6
97.68130	1.5
99.04373	2.5
99.08083	4.1
105.07045	29.6
105.13235	1.3
107.08602	29.2
109.06506	3.6
109.10165	42.0
111.08066	5.7
111.11726	26.3
112.11881	1.4
112.12692	1.3
113.09632	2.4
115.07558	3.0
117.06980	1.6
119.08585	27.9
121.10162	24.2
123.08060	5.7
123.11722	18.2
125.09654	5.1
125.13270	8.7
127.07581	2.4
127.11198	2.0
129.06918	1.6
129.09132	3.2
131.08568	4.5
133.10146	30.4
135.08052	4.7
135.11722	14.8
137.09647	7.8
137.13239	7.4
139.11168	4.3
141.06966	1.5
143.08606	2.4
145.10086	2.3
147.11702	22.7
149.13277	12.5
149.29124	1.3
151.11198	8.9
151.14812	4.7
153.12720	3.9
155.10690	1.7
161.13251	19.4
163.14853	11.3
165.12791	9.0
165.16367	4.6
167.14351	3.8
169.12259	1.8
171.11642	2.4
173.13248	2.5
175.14838	13.1
177.16400	3.2
179.14323	5.8
179.17975	4.1
181.15794	2.5
183.13831	1.4
189.16389	8.5
193.15858	6.0
203.17886	1.4
207.08138	1.5
207.17424	3.7
217.19498	2.2
219.21051	3.1
221.22598	12.8
245.22668	45.4
263.23712	30.6
264.23947	1.8
281.11783	2.3
281.14896	1.2
281.15778	1.6
281.18930	12.5
281.21600	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	281.2475
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.03946	3.0
55.05512	65.5
57.03443	6.1
57.07077	28.3
65.03976	1.5
67.05141	2.0
67.05507	50.1
69.07072	100.0
69.29729	1.4
71.05002	4.8
71.08636	16.6
79.05495	22.9
79.07139	1.4
81.07060	85.1
83.05002	7.7
83.08623	64.8
83.09127	2.2
85.06577	4.8
85.10197	6.7
91.05486	23.0
93.07046	36.8
93.09891	1.6
95.04980	2.1
95.08611	71.6
97.06531	11.7
97.10175	56.4
97.10784	2.9
98.21545	3.3
99.08109	3.1
99.11699	1.4
105.07032	24.3
105.07678	2.0
105.26324	1.4
106.72961	1.4
107.08598	24.5
109.06553	3.1
109.10162	42.8
111.08127	5.0
111.11727	28.2
113.09696	3.0
115.07632	2.6
119.08588	24.5
121.10149	26.4
123.08089	5.3
123.11702	18.8
125.09682	4.9
125.13255	9.6
129.09224	1.6
133.10135	29.5
133.11090	1.7
135.11687	16.2
137.09642	8.5
137.13280	7.2
139.11256	3.7
139.14809	2.1
141.09155	1.6
141.12828	1.7
144.97054	1.7
147.11696	23.4
149.13263	10.6
151.11214	8.0
151.14844	6.7
153.12770	3.1
157.12259	1.6
161.13266	17.3
163.14835	8.9
165.12733	11.0
165.16446	6.0
167.14282	3.2
175.14836	14.6
177.16394	2.7
179.14362	10.8
179.18008	4.0
181.15878	2.9
189.16386	12.5
191.17982	1.8
193.15849	6.5
199.16908	1.5
203.18042	2.7
205.19563	1.9
207.17476	6.5
217.19522	1.3
219.21136	4.2
219.26836	1.4
221.22659	14.8
245.22646	43.3
263.23724	31.7
279.87250	1.6
281.21207	9.6
281.24326	2.2
281.29654	2.5
282.27777	2.4
299.06155	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	282.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11279	5.7
56.96555	14.8
63.42255	5.7
64.32579	5.9
71.47166	10.6
98.97598	100.0
116.98634	36.9
119.90898	5.4
139.85818	6.0
148.25911	6.4
192.05568	18.4
200.54543	11.3
201.00998	6.4
219.01985	10.4
237.02869	6.8
258.99707	34.0
277.00723	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	282.1198
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01851	0.7
57.03441	1.3
57.04549	0.4
58.54662	0.2
61.02924	0.2
62.10610	0.2
69.03418	0.8
70.06593	0.4
70.65869	0.6
71.01362	0.4
71.18172	0.2
72.08141	0.6
73.02914	0.5
75.36640	0.2
84.08138	0.2
84.48102	0.2
85.02886	0.7
86.09673	0.3
87.04452	0.2
88.03968	0.2
94.04086	1.2
97.02920	0.2
98.97544	0.3
107.04974	0.5
115.03923	0.4
120.08067	0.3
121.08414	0.4
123.06676	0.7
129.10258	0.3
133.05032	0.5
135.05472	0.2
136.06174	0.9
137.06509	0.2
150.07753	100.0
151.08127	0.3
282.12000	10.5
300.06281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01854	0.3
56.05035	0.2
57.03427	0.6
59.04990	0.6
61.02913	0.4
69.03426	1.9
70.06579	0.9
70.26102	0.7
71.04985	0.3
72.08157	0.5
75.04457	0.5
83.06970	0.2
84.08147	0.3
85.02913	1.1
85.06525	0.3
87.04459	0.6
94.04038	0.8
97.02888	0.6
98.79768	0.2
98.97546	0.3
101.06026	0.9
103.07573	0.9
107.04961	1.9
115.03909	0.4
119.03561	1.1
120.08121	0.9
129.10173	0.5
136.06187	100.0
137.04572	0.7
137.06561	0.3
145.05025	0.3
147.06546	0.2
150.07735	2.0
154.86880	0.2
175.64615	0.2
195.11279	0.3
282.12030	3.7
282.14914	0.3
282.19223	0.7
300.06354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0966
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
50.89315	0.3
55.05503	0.6
65.03933	1.3
67.05502	1.0
69.79001	0.3
71.47948	0.6
78.94260	0.3
79.05492	0.7
81.07056	0.7
81.17101	0.3
82.12185	0.3
89.06014	0.5
91.05485	47.4
93.07049	0.7
95.08596	0.5
105.07036	0.6
107.08620	0.5
119.08587	0.6
121.06559	0.3
121.10155	0.9
145.10139	0.6
153.01830	11.7
157.06479	0.5
163.03909	0.5
163.11232	0.3
164.04681	1.4
165.92999	0.3
192.04179	69.5
193.04512	0.5
205.04976	0.7
210.72771	0.4
227.94104	0.3
240.07761	0.8
255.10069	0.5
268.07233	0.6
283.09662	100.0
284.09964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1534
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03932	3.6
55.01870	10.8
55.05511	20.4
56.96553	2.5
57.03196	1.5
57.03440	18.4
57.07059	4.3
59.04982	2.0
65.03937	1.8
67.05505	23.1
69.03422	5.2
69.07066	13.3
71.04985	6.7
71.48440	2.4
73.02897	1.4
79.05495	30.7
81.03424	10.2
81.07057	29.8
83.01345	6.3
83.04985	12.6
83.08621	12.5
84.08118	1.4
85.02882	2.9
85.06541	2.7
89.06030	1.6
91.05480	16.0
93.07043	45.5
93.07643	2.2
95.04967	11.4
95.08605	40.4
97.02888	5.6
97.06522	8.2
97.10155	3.3
99.04458	5.9
99.08076	1.4
103.05450	2.7
105.07032	12.8
107.04955	38.3
107.08588	32.6
109.02884	1.6
109.06498	5.1
109.10140	7.9
111.04473	6.4
111.08069	3.6
113.06030	1.4
115.05447	1.4
116.06163	1.2
117.07018	13.2
118.96219	1.1
119.08589	16.4
119.81976	1.3
121.02870	4.6
121.06505	9.4
121.10132	16.1
123.08060	4.3
123.11717	2.9
125.05994	3.0
129.06989	2.9
130.07770	2.3
131.03325	1.2
131.04910	4.8
131.08554	4.4
133.06496	2.3
133.08510	1.3
133.10130	4.9
135.08076	2.3
135.11688	40.7
137.06000	2.9
137.09645	2.5
139.07538	2.2
143.08557	3.4
145.06483	2.6
145.10129	30.3
147.04422	2.9
147.08028	1.8
147.11722	1.4
151.03862	1.4
152.06161	1.3
153.12729	7.7
155.08592	2.3
157.10228	1.9
161.05911	2.1
163.11182	64.8
165.07027	2.4
167.08591	3.2
169.10143	1.7
173.09660	2.5
177.05450	1.7
177.06985	2.6
181.06541	1.9
181.12227	15.6
185.36678	1.1
191.10582	4.2
194.07327	1.8
195.08138	7.2
195.11714	1.7
197.06032	1.4
199.14871	1.8
207.06459	2.3
209.09607	3.0
209.11700	4.4
211.14777	1.2
212.08125	1.5
222.06976	1.3
223.07602	6.1
223.14731	2.0
225.09085	1.4
227.12779	79.6
233.11450	3.2
237.09074	3.9
240.07780	5.5
251.07170	2.8
255.10175	4.5
265.08487	2.3
265.14017	1.4
268.07321	4.6
283.06509	1.6
283.09903	27.0
283.15222	100.0
283.20505	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75958	1.6
53.03936	4.2
55.01862	5.9
55.05516	21.2
57.03450	13.8
57.07071	3.3
67.05505	25.7
69.03416	3.0
69.07073	14.3
69.29270	16.5
71.04988	3.9
71.84019	1.6
76.03098	1.8
76.85564	2.2
79.05495	34.4
81.03407	5.9
81.07069	32.5
83.04987	9.1
83.08626	11.9
89.06018	11.0
91.05473	16.2
93.07048	52.8
95.04972	9.2
95.08611	50.6
97.02879	6.7
97.06520	6.5
98.21487	2.8
99.04460	5.4
103.05431	2.4
105.07043	12.9
107.04975	13.3
107.08603	39.9
109.06513	4.0
109.10148	5.3
111.04439	3.8
111.08073	2.8
117.07044	12.2
119.08585	15.7
121.06509	7.1
121.10169	16.9
125.05974	3.0
129.07004	4.1
130.07808	2.8
131.08565	3.9
133.08635	4.3
133.10081	2.0
135.08018	3.7
135.10718	3.8
135.11697	63.1
139.07578	2.1
143.08580	3.6
145.10135	37.1
147.08102	1.8
153.12720	2.4
157.06560	1.9
157.10089	3.5
159.11736	2.1
163.11192	89.1
165.75949	1.8
171.11742	2.6
173.09631	4.0
181.12230	17.6
183.11688	2.7
185.13168	2.4
191.10599	2.5
209.11710	6.3
223.14839	2.2
227.12798	100.0
240.07831	2.0
283.09738	8.3
283.15372	32.2
283.20154	12.1
283.23813	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01871	6.8
55.05512	14.0
57.03438	12.7
57.07080	1.5
57.49139	1.3
64.64985	1.2
65.03944	1.1
67.05503	20.6
69.03435	1.7
69.07063	7.0
70.06573	1.6
70.46849	2.3
70.47198	1.5
71.04987	4.7
73.02843	1.1
79.05496	29.8
81.03412	3.8
81.07055	24.3
83.01344	1.3
83.04984	9.6
83.08622	9.4
91.05479	11.5
93.07046	46.0
95.04973	8.6
95.08612	40.5
97.02889	3.9
97.06515	5.9
99.04460	5.2
103.05508	2.1
105.07044	10.9
107.04958	19.4
107.08596	30.8
107.10146	1.2
109.06487	2.2
109.10165	4.3
111.04460	2.5
111.08080	2.6
113.05991	1.5
115.05399	1.2
117.07013	13.7
119.08586	14.1
121.02921	2.0
121.06502	6.8
121.10144	14.8
122.21289	1.1
122.58122	1.2
125.06003	3.5
128.06256	1.6
129.07008	2.0
130.07768	3.0
130.57872	1.3
131.04938	2.8
131.08572	2.3
133.06448	1.4
133.10121	2.9
135.08067	3.5
135.11694	44.0
135.12729	2.1
139.07558	2.4
140.13504	1.1
141.07011	1.4
143.08562	2.2
145.10118	30.3
152.06210	1.3
153.06984	1.3
153.12788	2.7
155.08546	2.3
157.06532	1.7
163.11183	72.8
164.11542	1.6
165.07016	2.6
167.08574	2.6
169.06528	1.4
169.10133	1.8
173.09637	1.7
177.06998	2.1
178.07735	1.8
179.08519	2.4
181.06506	2.5
181.10446	1.5
181.12213	17.0
182.07263	1.8
191.10820	2.0
193.64131	1.2
194.07278	2.2
195.08101	4.0
197.06020	1.9
197.09624	3.0
207.07948	1.3
209.11687	3.1
222.06767	2.1
223.07573	5.1
224.08246	3.1
225.09079	14.5
227.12781	100.0
237.09161	3.9
240.07880	2.8
251.07060	3.2
253.08658	2.6
255.10132	3.1
268.07315	2.7
269.75513	1.4
283.09631	37.6
283.15359	19.4
283.20398	2.7
299.69202	1.3
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	2.1
55.01871	6.8
55.05512	14.0
57.03438	12.7
57.07080	1.5
57.49139	1.3
64.64985	1.2
65.03944	1.1
67.05503	20.6
69.03435	1.7
69.07063	7.0
70.06573	1.6
70.46849	2.3
70.47198	1.5
71.04987	4.7
73.02843	1.1
79.05496	29.8
81.03412	3.8
81.07055	24.3
83.01344	1.3
83.04984	9.6
83.08622	9.4
91.05479	11.5
93.07046	46.0
95.04973	8.6
95.08612	40.5
97.02889	3.9
97.06515	5.9
99.04460	5.2
103.05508	2.1
105.07044	10.9
107.04958	19.4
107.08596	30.8
107.10146	1.2
109.06487	2.2
109.10165	4.3
111.04460	2.5
111.08080	2.6
113.05991	1.5
115.05399	1.2
117.07013	13.7
119.08586	14.1
121.02921	2.0
121.06502	6.8
121.10144	14.8
122.21289	1.1
122.58122	1.2
125.06003	3.5
128.06256	1.6
129.07008	2.0
130.07768	3.0
130.57872	1.3
131.04938	2.8
131.08572	2.3
133.06448	1.4
133.10121	2.9
135.08067	3.5
135.11694	44.0
135.12729	2.1
139.07558	2.4
140.13504	1.1
141.07011	1.4
143.08562	2.2
145.10118	30.3
152.06210	1.3
153.06984	1.3
153.12788	2.7
155.08546	2.3
157.06532	1.7
163.11183	72.8
164.11542	1.6
165.07016	2.6
167.08574	2.6
169.06528	1.4
169.10133	1.8
173.09637	1.7
177.06998	2.1
178.07735	1.8
179.08519	2.4
181.06506	2.5
181.10446	1.5
181.12213	17.0
182.07263	1.8
191.10820	2.0
193.64131	1.2
194.07278	2.2
195.08101	4.0
197.06020	1.9
197.09624	3.0
207.07948	1.3
209.11687	3.1
222.06767	2.1
223.07573	5.1
224.08246	3.1
225.09079	14.5
227.12781	100.0
237.09161	3.9
240.07880	2.8
251.07060	3.2
253.08658	2.6
255.10132	3.1
268.07315	2.7
269.75513	1.4
283.09631	37.6
283.15359	19.4
283.20398	2.7
299.69202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.03947	6.6
55.01867	12.4
55.05313	2.9
55.05514	33.2
57.02452	2.9
57.03234	2.6
57.03436	26.6
57.07071	11.9
67.05505	66.7
69.03429	5.5
69.07070	32.7
69.46164	17.4
69.46580	7.0
71.04993	6.9
71.08618	6.0
74.16724	3.6
79.05497	70.0
81.03424	8.4
81.07053	52.9
83.04975	18.1
83.08624	26.2
85.06528	7.3
89.06036	21.5
91.05492	40.2
93.07045	87.1
95.04968	16.8
95.08607	64.7
97.02901	19.8
97.06519	20.1
97.10167	8.9
99.04458	6.5
99.08121	4.6
105.04525	3.6
105.07027	20.3
107.04961	27.8
107.08595	51.7
109.06568	3.5
109.10136	23.4
111.04431	22.7
111.08096	6.5
113.06006	8.9
113.09613	7.6
117.07014	26.0
119.08590	26.0
121.06528	9.6
121.10147	29.4
123.08080	5.6
123.11707	5.0
125.06003	7.8
129.06989	8.0
131.08553	20.6
133.08627	4.4
133.10150	11.6
135.08063	4.1
135.11697	78.5
137.09665	4.9
139.11229	4.4
145.06516	4.5
145.10139	55.0
147.08003	4.7
147.11768	5.4
149.09612	10.1
149.13272	4.3
153.12816	4.9
155.08559	8.4
157.06459	3.9
157.10211	4.1
163.11186	64.0
169.10046	3.6
173.09666	18.9
181.12279	24.2
191.09192	3.2
191.10635	16.7
199.13222	3.2
209.11723	14.3
223.07809	4.3
227.10594	4.7
227.12772	74.5
255.15887	47.3
261.70245	3.3
283.15381	100.0
283.20554	10.2
283.24002	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	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	3.4
55.05238	2.3
55.05513	66.9
57.03431	6.1
57.07077	85.5
59.04993	2.8
61.46920	1.3
67.05509	37.8
69.03439	2.2
69.07069	100.0
69.95313	6.8
71.04984	5.9
71.08633	60.2
73.06548	4.3
79.05498	25.9
81.06600	3.0
81.07059	58.2
83.04980	7.5
83.08623	70.7
85.06535	5.9
85.10186	28.9
89.06023	5.1
91.05465	5.8
93.07047	42.5
95.04993	2.2
95.08611	59.6
97.06535	26.0
97.10169	49.5
99.08092	5.7
99.11716	2.5
101.05981	4.3
105.07037	3.5
107.04938	1.5
107.08598	33.4
109.09476	2.1
109.10160	25.0
111.04364	1.8
111.08094	18.7
111.11721	17.1
113.09666	2.4
115.07570	5.8
119.08604	2.7
121.06522	1.4
121.10146	33.7
123.11720	11.6
124.14804	1.4
125.09629	16.4
125.13269	3.8
127.11207	1.6
128.08093	1.4
129.09100	6.5
131.08516	2.2
133.08559	2.0
135.11693	35.1
137.13306	6.5
139.11183	16.3
139.14807	1.4
141.07001	2.0
141.12782	1.6
143.10641	5.0
145.10043	1.5
149.13266	25.6
151.14821	2.9
153.12741	11.8
155.14342	1.6
157.10207	2.3
157.12242	4.3
163.11217	2.5
163.14835	21.3
165.16385	4.0
167.14281	10.7
167.28827	1.5
171.13765	2.0
175.53291	1.3
177.16391	14.9
181.15923	7.4
191.17979	9.9
195.17430	4.8
199.20555	1.7
205.19530	3.3
209.13318	1.6
209.18974	3.6
213.18416	2.3
223.20607	2.6
232.57898	1.4
237.46516	1.5
247.24202	34.0
265.25256	21.8
283.09726	5.1
283.20441	3.4
283.28546	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01875	0.4
56.96547	0.6
70.06580	0.5
73.02905	0.4
75.69069	0.3
76.02702	0.4
98.21553	0.8
98.97565	0.7
100.95754	0.3
110.03541	3.4
119.01931	0.4
128.04535	1.0
135.03024	7.9
136.01367	0.3
148.22893	0.4
148.28256	0.3
152.05678	100.0
153.04085	5.3
156.43034	0.3
173.99127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24681	1.1
53.03948	3.6
55.01869	4.1
55.05509	2.9
56.05035	1.8
57.03437	4.0
60.49287	1.1
61.02921	3.2
65.03941	3.5
67.05511	47.7
69.03433	28.4
69.07067	13.8
70.06603	8.8
71.04960	2.1
71.05244	1.3
72.08166	11.0
73.02913	2.7
78.12460	1.0
79.05508	2.5
81.03423	25.6
81.07062	1.1
84.04516	10.7
84.08149	6.7
85.02909	19.8
86.09708	10.9
87.79793	1.0
91.05483	2.0
94.06581	3.9
95.04975	44.0
97.02898	49.4
98.97593	1.2
99.04477	7.5
101.07150	2.7
103.03964	7.9
105.07058	1.8
106.06549	1.2
107.04990	6.1
108.08141	1.2
109.02894	32.4
110.06047	3.4
110.07185	5.0
112.07613	42.1
113.05986	6.5
120.08112	1.8
121.06520	1.5
122.06049	7.5
122.09653	1.3
123.04443	2.2
124.07610	6.8
127.03924	26.1
129.10245	1.4
130.05038	2.4
132.08177	1.2
133.06596	1.1
134.06061	1.5
136.07594	2.6
138.05475	1.5
138.09151	2.0
140.07076	100.0
142.08694	1.1
143.11923	1.1
148.07588	1.2
150.05505	3.6
150.09143	8.6
151.06105	1.2
152.05693	6.8
152.07083	4.7
152.59564	1.0
154.08653	1.2
160.07542	1.7
164.07124	1.3
166.08609	1.2
166.82732	0.9
168.06584	3.9
170.08138	3.6
178.08647	30.1
182.08154	7.2
185.09273	1.0
190.08594	2.3
192.06522	1.6
192.10107	1.3
194.08200	2.1
196.09729	1.2
197.05931	1.6
202.08725	1.3
203.07524	1.3
206.08142	81.4
218.08128	18.2
220.09752	4.4
221.15607	1.2
236.09181	4.5
248.09218	16.1
248.11783	1.4
248.12827	1.8
266.10251	3.6
266.13931	3.1
267.06702	1.1
284.11292	20.6
284.14957	7.3
284.23343	1.4
284.29465	4.9
284.32330	1.2
295.87061	1.2
304.56232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Stevenin
Peak:m/z	Relative Intensity
56.54251	0.5
67.05480	0.7
68.99764	1.2
69.99379	2.0
79.38607	0.6
80.58965	0.6
105.06998	0.6
106.24065	0.5
131.21893	0.7
153.06970	0.7
161.05902	0.7
165.06993	0.8
169.06497	1.4
171.04463	1.1
174.06703	0.6
185.05954	2.1
186.06743	0.7
196.05219	1.1
197.05968	0.6
199.03856	6.4
201.05435	32.0
210.06711	2.8
211.07532	1.4
212.04628	0.9
213.05423	0.7
214.06264	8.8
221.05972	0.6
225.05392	1.2
225.09050	2.1
227.03438	4.3
229.08568	1.4
238.06340	0.6
239.07062	0.8
242.05743	98.6
243.06174	1.1
251.02884	0.5
253.08603	1.9
257.08099	100.0
258.08353	1.4
270.05270	1.6
285.07596	76.3
286.07944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Kakkatin
Peak:m/z	Relative Intensity
55.01850	0.6
55.05472	1.2
57.03410	0.9
60.88787	0.5
67.05462	1.7
68.99747	0.7
69.03388	0.5
69.07032	1.4
70.53668	1.1
70.54033	0.5
79.05447	1.3
81.03425	1.9
81.07061	3.1
83.08591	0.6
85.02879	1.0
91.05425	0.8
93.07052	1.8
95.04920	1.2
95.08611	1.8
97.02869	0.6
98.98396	0.6
105.06992	1.5
107.04925	0.6
107.08548	1.4
109.06419	0.4
109.10143	0.4
109.15510	0.3
115.05381	0.4
119.00312	0.3
119.08563	1.3
121.10118	1.1
123.11699	0.5
128.06198	0.5
129.03511	0.4
131.08559	0.7
133.10085	0.7
141.06949	0.6
145.10078	1.3
147.11646	1.6
153.06990	0.5
157.10095	0.9
159.11694	0.6
161.05942	1.2
163.14752	0.4
165.06989	1.5
165.12787	0.9
169.06427	1.5
169.07809	0.5
169.10120	0.5
171.04393	2.0
171.08023	0.5
173.13315	0.5
175.11201	0.7
181.06464	0.8
183.07928	0.4
193.06462	0.7
193.12306	0.9
198.06725	0.5
199.02063	0.9
199.03902	15.9
199.14801	0.6
201.05507	0.8
201.09076	0.7
204.11797	0.9
210.03067	2.5
210.06754	1.1
211.03899	2.6
211.07574	0.8
211.13156	0.7
213.05484	0.6
214.06248	1.0
221.05927	1.2
225.05421	0.7
225.09074	2.6
226.06256	4.0
227.03406	37.3
228.03709	0.7
229.04953	0.9
238.06360	0.4
242.05743	100.0
243.06219	1.1
253.08650	3.6
257.08099	36.6
258.08521	0.5
267.10092	0.4
270.05212	0.4
270.09073	0.4
285.07599	55.9
285.11185	4.2
285.22125	2.0
285.25354	0.7
286.07809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Denbinobin
Peak:m/z	Relative Intensity
55.01828	1.0
55.05455	0.7
62.99981	1.4
67.05475	0.9
68.99730	1.4
69.07043	0.4
69.97755	0.4
70.18307	0.8
70.18679	1.5
79.05462	1.0
81.03363	1.5
81.07068	2.1
83.08570	0.6
85.02848	0.5
91.05415	1.6
93.06998	1.0
95.04921	1.0
95.08528	1.1
98.98425	0.6
105.06956	1.7
105.07589	0.5
107.04895	0.9
109.10146	0.4
115.05441	1.1
117.03310	0.5
117.06987	0.5
119.08500	1.0
121.10099	0.8
123.08057	0.6
123.11676	0.7
124.99969	0.6
125.55270	0.5
128.06165	0.5
129.06953	0.8
130.04112	0.8
131.08488	0.6
139.05321	0.6
141.03374	3.8
141.06966	1.9
142.07704	0.7
143.04921	0.6
143.08580	0.5
145.06407	0.8
145.10107	0.7
147.11693	1.0
149.05948	1.0
150.05527	0.4
150.42020	0.4
152.06178	0.8
153.06911	1.8
155.04863	0.9
155.08572	0.5
157.10123	1.0
158.03677	0.8
161.05904	1.6
165.07014	2.9
167.04868	0.5
167.08553	0.5
168.05643	1.6
169.06516	2.9
169.10104	0.8
170.07277	0.7
171.04361	1.0
172.05165	0.5
173.05952	3.9
174.06706	0.8
174.82040	0.4
181.06429	1.9
182.03630	0.9
182.07291	1.3
183.04465	0.8
183.08049	0.8
184.05153	1.0
185.05931	1.0
186.03082	1.5
186.06645	0.8
187.07547	2.7
189.09094	0.5
191.07025	4.0
193.06444	1.3
193.12219	0.7
195.04482	0.5
196.05151	2.3
197.06001	7.6
197.09636	0.5
198.06798	2.9
199.03926	6.0
199.07501	2.5
199.14793	0.5
200.04698	0.6
201.05257	42.7
201.06937	3.8
202.05696	0.7
210.03125	1.8
210.06718	1.6
211.07535	2.6
212.04652	0.7
213.05493	2.2
213.09097	0.6
214.04364	0.7
214.06250	7.7
215.06927	0.8
216.09892	0.8
221.05945	1.9
224.04669	1.4
225.05441	7.9
225.08914	3.1
226.06335	3.7
227.03447	4.9
227.06958	3.8
229.04974	1.4
229.08611	1.7
238.00424	0.5
238.02647	4.9
238.06334	0.7
239.06996	2.7
241.04938	0.6
242.05754	36.1
243.06270	1.0
253.04967	14.0
253.08598	6.6
254.05681	0.6
254.09311	1.4
254.87741	0.4
255.06392	0.9
256.07220	2.4
257.08096	56.6
258.08438	0.8
265.68372	0.5
267.06317	0.6
270.05280	2.1
270.08670	1.0
274.32251	0.4
285.07602	100.0
285.11142	6.2
285.22104	2.1
285.25113	0.6
286.07855	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
58.99587	10.3
66.17570	0.7
70.06597	1.1
70.92828	1.7
76.02231	47.3
76.03997	2.4
79.05488	1.0
86.99049	3.3
96.33768	0.8
107.04958	100.0
108.05312	0.8
116.01675	11.3
117.26144	0.8
141.64330	0.8
144.01160	7.5
162.02208	28.3
179.04857	43.2
193.73326	0.7
200.76849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.01855	1.0
55.05512	1.7
57.07059	2.6
60.08168	8.6
67.05480	2.4
69.21886	2.1
69.22292	6.0
71.08614	1.9
81.03389	1.8
81.07054	4.6
83.08595	1.5
91.05460	2.0
93.07030	1.3
95.04942	1.2
95.08593	2.9
105.07022	2.1
107.08614	1.2
109.10151	1.8
115.05462	1.1
118.38449	0.8
119.08559	1.9
128.06229	1.0
133.10147	1.1
141.07002	2.6
152.06200	3.0
153.07010	3.9
154.07779	3.2
155.08513	0.9
157.06462	1.0
157.10107	0.9
159.07988	0.8
161.06006	1.3
165.06998	12.7
166.07777	3.9
166.66710	0.9
167.08595	6.2
168.05733	1.8
168.09450	0.9
169.06485	1.7
171.08115	1.9
175.14865	1.9
177.06905	1.0
178.07774	2.5
179.08527	3.3
180.05569	0.9
180.27173	0.8
181.06493	11.5
182.07281	11.4
183.08046	9.6
185.40146	0.9
193.06419	2.4
194.07277	3.9
195.08040	8.8
196.08801	4.7
197.05956	2.8
197.09618	17.1
199.07535	13.7
207.07901	0.9
208.08795	0.9
209.05968	3.0
210.06763	11.2
211.07539	32.3
212.08241	4.7
213.09114	2.8
214.09912	6.2
223.07523	2.3
224.08319	5.9
225.05673	1.3
225.09109	30.3
226.09885	62.5
227.07021	23.6
227.10660	3.0
228.07706	1.0
229.08554	1.9
229.12175	2.5
239.07047	1.8
239.10690	1.7
241.08592	7.4
242.09393	37.5
242.11885	2.0
243.09949	1.7
253.08614	1.1
254.09404	1.5
255.10098	5.4
256.10962	3.0
257.11719	50.4
270.08881	1.7
284.29868	2.0
284.33127	23.7
285.11206	100.0
285.25699	1.1
285.30099	2.3
285.33395	13.2
286.11389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
52.37347	1.2
55.05520	1.5
57.03435	2.6
57.07062	3.7
60.04531	1.8
60.08169	5.7
63.00043	1.8
67.05505	5.7
69.07065	2.6
69.72210	3.8
69.72623	2.7
79.05497	1.7
81.03408	4.7
81.07053	5.5
83.08621	1.9
83.90402	1.0
91.05463	4.2
93.07058	2.8
93.86253	1.1
95.04942	2.2
95.08587	4.5
98.98499	1.4
105.07005	3.4
106.05350	1.2
107.08556	1.8
109.10159	1.4
117.06969	1.4
119.08529	2.2
121.10156	2.6
128.06314	1.2
131.08537	1.6
133.10164	2.0
141.06989	2.8
145.10236	1.3
147.11659	2.3
148.12134	1.2
150.05496	1.7
152.06265	2.2
153.06975	2.6
154.94153	1.7
155.08591	2.2
157.10233	1.1
165.07016	14.4
167.08546	2.7
168.05763	1.4
169.06531	1.8
171.08011	1.8
175.11221	2.4
177.07008	1.3
178.07774	1.7
179.08545	2.3
181.06496	9.9
182.07297	10.3
183.08041	7.1
193.06445	2.0
193.12242	3.2
194.07304	2.9
195.08049	6.3
196.08842	5.0
197.05951	3.9
197.09628	14.3
199.07574	10.2
209.06036	2.2
210.06752	10.6
211.07561	30.1
211.13266	2.9
212.08308	4.6
213.09164	4.4
214.06403	1.5
214.09853	5.5
223.07660	1.5
224.08307	4.6
225.09142	24.2
226.09900	58.9
226.99870	1.3
227.07054	20.7
227.10555	2.4
229.12195	2.2
239.07071	3.1
239.10588	1.9
241.08702	5.9
242.05698	3.0
242.06871	1.9
242.09390	34.1
243.10197	1.8
243.17311	1.2
253.08647	6.1
254.09486	2.8
255.10156	4.2
256.10809	3.4
257.04605	1.6
257.07782	2.7
257.11749	40.4
270.08817	4.1
284.29526	4.6
284.33130	17.3
285.07721	7.3
285.11206	100.0
285.21909	2.4
285.29901	2.7
285.33484	6.2
286.11862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.19636	1.1
52.86830	1.3
55.05497	3.8
57.03419	4.7
57.07057	5.1
60.08162	1.5
63.74016	1.3
67.05500	3.8
69.07058	3.9
71.05008	1.6
71.08635	2.6
71.48714	2.8
74.98309	1.3
79.05469	4.0
81.03405	5.1
81.07041	7.5
83.08605	4.3
85.02904	1.7
91.05471	3.8
93.07021	3.5
95.04974	2.7
95.08589	4.1
97.10190	1.9
98.98484	1.5
101.76867	1.3
105.07027	4.6
107.04922	1.3
107.08569	2.5
107.57721	1.2
109.10161	2.5
111.08047	1.4
119.08566	2.7
123.11748	2.0
131.08554	3.3
135.11705	1.5
141.07018	1.7
145.10107	2.0
147.11659	1.9
150.05428	1.8
152.06198	2.6
153.07004	2.6
154.07751	3.0
155.08533	2.6
159.08008	1.5
159.11707	2.0
161.06032	2.8
165.07008	11.9
166.07793	3.3
167.08615	6.3
169.06496	3.0
171.01387	1.5
171.08076	1.9
178.07707	1.6
179.08504	2.6
181.06464	11.6
182.07274	9.8
183.08049	8.5
184.08943	1.9
193.06480	3.3
193.12247	3.5
194.07272	2.8
195.08102	7.6
196.08830	4.9
197.05966	3.9
197.09604	13.2
198.06697	2.6
199.07480	12.1
201.09009	1.7
210.06746	10.7
211.07544	29.5
211.13248	2.0
212.08311	4.6
213.09108	3.3
214.09901	4.4
223.07474	2.7
224.08290	3.9
225.09082	24.8
226.09875	60.1
227.07008	17.2
227.10555	1.9
229.12199	3.2
239.07054	2.0
241.08664	6.8
242.05780	2.5
242.06883	2.2
242.09370	32.4
243.09714	1.6
253.08588	4.8
254.09189	1.5
255.10107	4.7
256.11038	2.4
257.08197	3.7
257.11710	44.1
267.20935	1.4
270.08990	1.9
272.19025	1.5
284.29904	2.0
284.33096	7.3
285.07788	6.0
285.11191	100.0
285.21854	2.1
285.29825	2.2
285.33298	2.8
286.11838	1.6
305.05206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
69.17493	3.7
69.17912	2.3
74.87691	0.6
98.20738	1.3
110.92635	0.6
132.34059	0.7
133.13292	0.6
133.21635	0.5
152.06221	4.5
153.06952	0.9
154.07767	1.6
162.86002	0.6
165.05620	0.8
165.07005	14.3
166.07774	3.0
167.08575	6.5
171.08083	0.6
178.07831	0.8
179.08595	1.1
181.06520	2.2
182.07285	7.6
183.07953	0.8
192.05722	1.6
193.06459	4.9
194.07251	8.2
194.08922	0.7
195.08035	3.2
196.05135	0.9
197.05954	0.6
197.09599	1.6
198.90910	0.6
199.07536	5.2
207.07980	0.7
209.05962	1.2
210.06760	9.4
211.07556	10.1
223.03970	1.0
224.08319	1.1
225.09097	27.6
226.09502	0.6
227.07010	18.4
237.05501	1.0
238.06189	1.7
239.07033	13.5
241.08653	1.5
242.09340	6.3
253.08601	46.8
254.09370	23.9
255.06531	12.5
270.08856	23.3
285.11209	100.0
286.11569	1.0
308.46960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.01869	1.3
55.05494	1.7
57.03415	2.2
63.00043	0.6
67.05507	3.5
67.17858	0.5
68.99779	1.1
69.07047	2.1
69.67758	2.3
71.04991	0.7
79.05503	2.5
81.03413	3.5
81.07063	4.6
83.04957	0.7
83.08585	2.1
85.02881	2.2
90.91302	0.5
91.05482	3.8
93.07049	3.4
94.06596	0.7
95.04939	2.3
95.08605	2.7
97.06519	1.1
98.21487	1.0
98.98457	0.6
105.07024	3.4
107.04941	1.2
107.08584	1.6
109.06462	0.6
109.10155	1.2
111.08089	0.9
115.05413	0.6
119.08574	3.0
121.02908	0.7
121.10123	1.3
123.11697	1.1
127.03820	0.6
129.06969	1.1
131.04877	0.7
131.08559	1.4
133.06445	0.8
133.10118	1.4
133.23500	0.5
135.11732	0.6
137.05930	0.7
141.06979	1.2
141.95694	0.5
143.08592	1.5
145.06439	0.6
145.10077	1.6
146.03604	0.8
147.11711	2.8
149.05960	0.7
149.09534	0.8
150.05452	0.9
152.06151	1.4
153.06953	1.9
154.07707	0.7
155.04950	0.7
155.08609	1.0
157.06464	1.5
157.10115	1.9
159.11688	1.6
161.06027	3.4
165.07014	7.4
165.12775	0.9
167.08566	1.7
168.05695	2.0
169.06482	0.9
171.08028	1.5
171.11681	1.0
173.05960	0.9
173.13200	0.7
175.11189	0.9
178.07645	0.7
181.06479	5.9
182.07248	3.7
183.08023	3.1
184.05167	1.3
185.05933	1.6
185.13336	0.8
186.06717	0.6
187.14856	0.6
192.05624	0.6
193.06477	4.4
193.12195	2.3
194.07201	2.1
195.04198	0.5
195.07962	2.0
196.05208	2.9
197.06000	3.2
197.09665	0.8
198.06789	1.2
199.03906	2.5
199.07518	5.9
199.14824	0.9
201.05435	2.3
203.47920	0.5
208.05186	1.5
208.08818	0.6
209.06090	3.2
210.06824	4.4
211.07561	13.2
211.13203	1.4
212.04640	2.9
213.05438	2.2
214.06210	2.2
221.05943	3.2
222.06712	0.8
222.53284	0.7
223.03804	1.1
223.07510	1.4
224.04692	1.7
224.08223	1.0
225.05496	1.4
225.09094	12.4
225.16368	0.6
226.06163	1.4
226.09851	1.2
227.03346	1.7
227.07042	19.8
229.04979	2.4
235.07442	0.8
237.05460	2.7
238.06262	5.5
239.07054	19.7
240.04211	0.7
240.07732	0.9
241.08589	4.4
242.05753	8.2
242.09412	3.9
243.11496	1.1
251.06958	0.7
252.07771	1.0
253.04739	0.7
253.05756	0.7
253.08618	11.7
254.09392	38.0
255.06548	20.2
255.09421	0.7
257.04419	8.1
257.08041	9.0
257.10852	0.8
257.11914	0.9
267.10120	1.1
267.21072	0.8
269.04449	0.9
270.08878	42.4
271.09177	0.7
283.28622	0.5
285.04117	3.1
285.07611	17.4
285.11160	100.0
285.16721	2.5
285.22067	3.2
285.25406	1.2
286.11456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.36742	0.3
55.01877	0.4
55.05499	1.0
57.03437	1.3
57.07061	0.6
60.47693	0.2
63.30943	0.2
65.03935	0.6
65.12579	0.2
67.05508	4.4
67.05853	0.5
69.03435	0.4
69.07059	0.6
69.52065	1.2
69.52472	0.4
70.06585	0.6
71.04997	0.4
72.08160	0.3
72.52593	0.2
79.05500	1.7
81.03420	7.0
81.07059	2.1
83.04973	0.9
83.08634	1.3
85.02919	1.2
85.06531	0.6
87.10063	0.3
91.05483	3.0
93.07037	0.9
94.06572	9.6
95.04977	2.8
95.08601	1.0
96.04514	0.3
97.02910	0.4
98.20710	0.3
105.07039	1.6
106.06555	3.5
107.04962	1.5
107.08600	0.4
109.06522	0.4
109.10181	0.5
111.02515	0.3
111.04399	0.3
111.08063	0.8
113.06010	0.3
115.05442	0.4
119.08595	1.4
121.06490	0.3
121.10137	0.9
122.06033	7.6
129.06992	0.6
131.08568	0.8
133.10136	0.5
135.11676	0.3
135.62483	0.2
136.07597	2.4
147.08006	0.3
147.11659	1.5
148.03935	0.3
149.09634	0.6
150.05507	100.0
151.05873	0.8
153.05452	0.4
153.07014	0.2
155.08421	0.3
155.33786	0.3
157.10138	1.2
161.05943	0.6
165.07001	0.9
165.12773	0.3
168.06578	1.4
175.11212	1.0
179.08408	0.3
181.06551	0.4
182.07257	0.7
193.06462	0.5
193.12244	3.6
199.14772	0.5
210.06786	0.9
211.07507	0.2
211.13322	0.8
221.05995	0.4
225.09021	1.4
239.06839	0.3
239.12076	0.3
242.09552	0.3
253.08681	2.6
267.11078	0.5
267.15930	0.8
275.30261	0.2
285.07852	0.6
285.12109	4.5
285.17065	0.7
285.22122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32616	1.2
53.03931	5.0
55.01862	4.4
55.05268	1.7
55.05513	21.6
57.03165	1.9
57.03440	36.4
65.03937	2.7
67.05505	32.0
69.03433	7.5
69.07073	8.7
69.71962	2.4
69.72366	4.7
70.06602	1.7
70.65418	1.3
71.04978	9.4
79.05495	32.9
79.78673	1.4
81.03422	100.0
81.07063	40.6
83.04982	17.7
83.08154	2.3
83.08619	28.9
85.02908	61.8
85.06534	2.7
86.09703	2.7
90.86504	1.4
91.05486	45.1
93.07052	24.0
94.06554	4.9
95.04969	36.8
95.08610	16.6
97.02911	6.1
97.06519	6.5
97.10178	3.9
97.68331	1.1
99.04472	1.3
99.08099	2.5
105.07039	32.0
106.06528	1.8
107.04947	11.4
107.08606	12.1
109.06519	7.1
109.10147	4.4
111.04431	4.4
111.08095	14.3
113.05994	5.5
115.05431	2.0
116.04883	1.4
117.07025	2.2
119.04933	1.5
119.07811	2.1
119.08592	24.0
121.06491	3.5
121.10151	15.4
122.06018	2.8
123.04459	1.2
123.08047	3.5
123.11677	4.6
125.09619	2.3
126.12861	1.7
127.03966	1.5
127.07553	1.9
128.06158	1.9
129.07004	15.0
131.04944	2.1
131.08568	13.0
133.06490	4.4
133.10129	12.6
135.11761	1.4
136.07648	1.8
137.05954	2.0
142.07741	2.5
145.10098	4.1
147.08069	2.8
147.11708	23.3
149.09644	7.9
150.05515	32.8
157.10138	19.0
161.05975	5.0
165.01874	2.2
165.06975	6.1
165.12776	5.4
167.08463	1.7
168.99535	1.7
175.11185	23.9
179.08478	1.6
181.06519	1.6
182.07285	3.2
183.02977	1.2
193.06532	5.0
193.12257	80.7
195.08194	2.0
196.04359	1.5
197.02644	1.7
199.14885	2.7
207.08063	2.4
208.08949	1.5
210.06786	5.2
211.07602	1.9
211.13290	49.2
221.05975	5.2
225.09105	12.2
253.08606	11.8
257.04526	2.3
267.10254	3.2
267.15979	8.4
285.08029	2.7
285.11365	17.0
285.16989	45.1
285.22104	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36880	1.2
53.03938	4.6
55.01868	2.1
55.05512	9.6
57.03439	15.6
59.04996	1.3
60.85338	1.5
65.51926	1.2
67.05506	16.3
69.03419	3.7
69.07063	4.8
69.59971	7.1
69.60374	2.3
71.04974	5.1
78.63577	1.3
79.05502	18.9
81.03421	100.0
81.07059	20.4
83.04998	7.8
83.08623	22.1
85.02901	24.8
85.06523	2.2
91.05482	24.3
93.07050	15.4
95.04386	2.1
95.04975	30.6
95.08608	7.8
97.02885	4.3
97.06523	3.7
99.08093	1.7
105.07033	19.4
107.04981	6.6
107.08572	6.8
109.06508	4.3
109.10146	2.6
111.04388	1.7
111.08085	12.2
113.06019	1.6
115.05415	1.4
117.07044	2.3
119.08589	14.0
121.06571	1.4
121.10168	8.0
123.04464	7.0
123.08072	1.4
123.11722	3.4
129.07018	11.5
130.07834	1.3
131.08606	10.8
133.06525	2.6
133.10150	7.5
142.07780	4.0
145.10101	2.7
147.04396	1.4
147.08052	3.1
147.11702	13.0
149.09622	5.7
157.10144	13.9
159.11685	1.9
160.07404	1.3
161.05975	2.0
165.07004	5.2
165.12723	3.3
171.11598	1.9
175.11220	16.0
181.06500	2.5
182.07286	2.2
183.52440	1.4
193.06525	2.8
193.12250	54.0
196.27765	1.3
199.14772	3.7
210.06813	2.8
211.13284	18.6
211.15065	2.2
221.05937	4.9
224.08347	1.8
225.09053	4.4
227.06879	1.4
229.04945	2.0
243.11409	1.7
252.07693	1.5
253.08609	5.4
257.08020	1.5
267.10156	4.5
267.15863	8.6
285.03943	5.3
285.08121	1.7
285.11356	8.4
285.16928	15.0
285.21945	6.8
286.04910	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01877	6.7
55.05275	2.1
55.05512	27.8
57.03438	58.5
57.07056	1.7
59.05010	1.5
65.03933	3.1
67.05507	48.7
69.03443	6.6
69.07069	12.9
69.19103	1.4
70.57449	3.9
71.04990	10.0
75.13383	1.6
79.05497	43.6
81.03422	100.0
81.07062	54.8
83.04984	21.4
83.08163	2.3
83.08624	39.7
85.02908	81.8
85.06535	2.6
87.04430	1.9
91.05484	61.9
93.07047	30.7
93.10430	1.4
95.04974	43.5
95.08611	21.2
96.65520	1.3
97.02885	4.3
97.06013	1.1
97.06530	9.4
97.10159	5.7
98.20884	1.5
99.08083	2.6
105.07038	40.3
107.04940	13.8
107.08607	13.7
109.06535	10.5
109.10126	5.2
109.34061	1.5
111.04403	4.0
111.05138	1.5
111.08083	24.5
113.06025	8.4
115.05437	3.2
117.07020	3.8
119.04950	3.3
119.08588	33.3
121.02852	1.5
121.06520	1.9
121.10147	14.8
123.08036	5.1
123.11699	5.0
125.09605	1.7
127.07577	1.3
128.06235	2.8
129.07008	18.6
131.08571	18.1
133.06483	4.6
133.10126	18.2
137.06013	2.3
137.09615	3.5
142.07788	3.6
143.08559	2.1
145.06467	2.0
145.10104	4.0
147.07991	4.2
147.11681	30.5
149.09612	12.2
150.05502	6.6
155.06073	1.4
157.10136	22.3
161.05966	4.5
165.07008	3.6
165.12787	7.2
167.08556	1.7
175.11186	27.5
182.07315	2.4
191.07129	2.5
193.06459	2.1
193.12251	95.9
207.07863	1.9
210.06850	2.6
211.13284	63.8
221.05940	3.0
225.09111	12.1
229.11623	1.3
253.08568	12.0
257.04327	3.1
257.11969	1.5
267.15894	5.5
285.03992	4.9
285.08380	2.2
285.11893	8.2
285.16965	63.0
285.21921	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01869	5.6
55.05511	35.7
57.03167	3.4
57.03441	67.9
57.07071	2.1
59.05011	2.5
61.63898	2.1
67.05507	54.8
69.03421	9.2
69.07070	17.2
70.67962	4.1
70.68320	5.4
71.04996	14.7
79.05498	56.3
81.03420	100.0
81.06597	4.4
81.07057	66.2
83.04979	24.4
83.08620	41.6
85.02908	96.4
85.06510	3.3
91.05483	71.5
93.07047	47.7
95.04379	3.5
95.04972	54.0
95.08608	29.6
97.02916	6.9
97.06523	9.2
97.10176	5.9
103.05470	2.8
105.07031	54.3
107.04970	12.9
107.08588	17.0
109.06519	9.8
109.10139	7.6
111.04446	4.4
111.08097	27.3
111.23704	2.4
113.05990	9.3
115.05471	4.7
117.07002	4.4
119.08584	38.8
121.06516	4.1
121.10161	22.0
121.86369	2.1
123.08073	6.0
123.11697	6.3
125.09570	2.5
129.06999	20.5
129.44623	2.1
131.04950	3.2
131.08585	22.7
133.06480	6.1
133.10126	27.0
137.06012	4.4
137.09634	5.5
142.07776	5.7
145.10147	8.7
147.08026	5.2
147.11682	34.6
149.09608	12.5
157.10141	31.9
159.11699	3.3
161.06021	4.4
165.06978	4.5
165.12823	7.5
175.11200	35.0
181.06375	2.3
188.82277	2.2
193.06493	3.9
193.12250	92.5
196.49928	2.6
199.14821	5.7
211.13281	58.5
221.06213	3.3
225.08969	10.8
253.08578	22.7
267.10068	3.0
267.15927	4.9
267.21265	3.5
285.07944	5.2
285.11398	15.0
285.16983	75.4
285.21808	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.8
53.03923	5.7
55.01851	3.9
55.05275	1.8
55.05515	21.5
57.03444	33.1
61.30718	1.3
63.00032	1.4
67.05192	1.9
67.05510	26.1
69.03411	5.6
69.07074	8.6
69.13534	3.0
69.13925	15.2
71.04995	8.0
79.05086	1.8
79.05497	29.9
81.03423	100.0
81.06611	2.5
81.07060	37.8
83.04987	14.3
83.08166	2.1
83.08625	33.5
85.02911	59.4
85.06510	3.0
85.26463	1.3
89.71495	1.3
91.05486	28.8
93.07052	19.0
95.04400	2.7
95.04974	39.5
95.08605	13.7
97.02866	4.0
97.06511	5.6
97.10134	4.3
99.08076	1.9
105.07040	27.5
107.04966	8.9
107.08603	9.2
109.06501	4.5
109.10133	5.6
111.04414	3.1
111.08099	18.2
113.05993	3.4
115.05457	2.5
117.06979	3.5
119.08585	21.9
121.10146	14.1
123.08083	3.3
123.11703	3.9
125.09577	1.7
128.06184	1.9
129.07014	11.4
131.04903	1.7
131.08588	9.3
131.09373	1.7
133.06459	5.0
133.10133	12.4
137.09529	2.7
141.06999	2.0
142.07767	2.7
145.10089	4.7
147.08058	3.1
147.11693	22.8
149.09569	5.9
153.06979	1.5
155.08560	2.9
157.10130	19.3
159.11665	2.8
161.05952	3.5
165.06990	4.9
165.12816	7.2
170.15405	1.7
171.08003	2.1
175.11179	20.4
178.07846	1.7
179.08534	2.1
182.07294	2.6
193.06401	3.8
193.12257	87.9
195.08018	2.2
197.05972	3.2
197.09645	2.3
197.13258	1.6
199.07321	2.3
207.07970	2.6
207.83569	1.3
210.06731	2.9
211.07480	4.3
211.13295	61.6
212.08266	4.3
221.06012	3.0
223.07489	2.4
225.09036	7.8
227.03433	2.7
227.06969	4.0
227.10681	2.9
229.14207	3.0
238.06294	2.3
239.06947	2.8
240.07748	4.6
242.05722	8.5
243.06010	1.8
253.08615	14.3
254.09209	1.8
255.06474	1.9
257.04337	2.5
257.08014	9.0
267.10184	3.4
267.15796	8.3
270.08899	3.4
285.04102	2.4
285.07513	16.3
285.11157	36.8
285.16901	47.9
285.22061	4.9
285.25296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03944	5.9
53.04150	1.1
53.70197	1.2
55.01859	4.8
55.05513	18.9
57.03443	36.9
60.29963	1.2
65.03922	1.6
67.05191	1.8
67.05510	28.2
69.03413	4.9
69.07077	8.4
69.47478	3.4
69.47904	4.5
71.04730	1.0
71.04999	9.4
77.03956	1.4
79.05084	1.7
79.05500	28.1
79.19193	1.1
81.03420	100.0
81.06594	1.8
81.07059	36.4
83.04986	13.8
83.08627	35.0
85.02909	56.2
85.06522	2.8
91.05486	33.9
93.06505	1.2
93.07052	20.1
95.04386	1.9
95.04971	35.0
95.08595	11.0
97.02882	4.7
97.06552	6.1
97.10152	4.0
98.98463	1.4
99.08080	1.8
105.07037	26.4
107.04943	6.6
107.08595	10.3
109.06524	5.7
109.10139	3.8
111.04422	3.8
111.08087	20.6
113.05965	4.2
115.05444	2.6
117.06982	3.3
119.08586	25.0
121.06451	2.4
121.10146	13.8
123.08037	2.0
123.11697	2.7
125.09549	1.0
128.16518	1.2
129.07019	14.3
131.08580	15.1
133.06493	2.8
133.10117	9.1
137.09630	2.4
142.07758	3.0
145.10088	2.3
147.07990	3.4
147.11687	25.1
149.09641	6.4
150.05533	1.5
157.10149	19.4
159.08029	1.4
161.05984	2.0
163.11255	1.4
165.07018	1.7
165.12718	7.3
175.09827	1.4
175.11209	23.1
181.06320	1.4
193.12257	97.1
193.21057	1.2
211.13301	66.0
221.06032	1.5
225.09117	4.3
227.07024	2.0
229.14330	3.0
241.08607	2.3
242.05748	2.2
253.08569	5.1
257.08066	2.4
257.12064	1.4
267.10187	1.6
267.15994	7.9
270.08768	2.3
284.62891	1.6
285.04492	1.6
285.07513	8.7
285.11200	12.0
285.16928	51.1
285.21924	2.2
285.25430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35770	1.3
53.03938	5.1
55.01862	2.8
55.05511	9.8
55.72846	1.2
57.03437	17.0
64.55401	1.3
65.03942	1.4
67.05506	17.7
69.03429	4.5
69.07055	3.3
70.37321	1.3
71.05001	5.2
71.07625	3.2
71.28273	1.5
73.86015	1.3
79.05062	2.2
79.05492	20.6
81.03419	100.0
81.07063	19.9
83.04971	6.6
83.08630	20.4
85.02908	22.2
85.06557	1.6
91.05487	19.3
93.07041	10.8
95.04968	31.9
95.08613	8.1
97.02893	3.7
97.06519	3.7
97.10166	1.5
104.31908	1.4
105.07036	17.6
106.06554	62.8
107.04948	7.3
107.08606	8.1
109.06519	5.1
109.10162	3.8
111.04451	1.4
111.08069	12.5
113.06017	1.5
115.05386	1.5
118.06573	1.6
119.08592	13.7
121.06495	3.3
121.10136	7.6
123.08085	3.0
123.11700	3.3
129.06987	8.3
131.04976	1.5
131.08565	7.8
133.06523	4.9
133.10117	7.6
137.09624	2.3
142.07802	2.1
143.08563	2.4
145.10124	3.6
147.08073	2.9
147.11676	15.2
149.09619	6.3
157.10118	14.2
161.06001	2.9
165.07025	3.6
165.12767	3.0
175.11189	14.9
185.95421	1.4
193.06563	2.7
193.12250	56.5
198.09140	1.4
199.14928	2.1
210.06776	3.0
211.13307	20.4
218.35617	1.9
221.06009	3.5
223.07585	1.4
225.09090	6.0
229.14255	1.7
238.06265	2.1
243.11339	3.8
253.08548	10.3
257.07922	1.5
267.15961	9.2
285.11444	11.2
285.16876	14.7
285.22147	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01852	3.9
55.05511	19.3
56.96547	1.5
57.03439	32.4
57.07071	9.3
57.49866	1.4
62.48660	1.4
63.00018	2.7
67.05505	34.2
67.13156	1.7
69.03407	5.2
69.07056	10.0
70.06561	3.2
70.73520	1.3
71.00712	3.0
71.04990	7.8
71.08649	3.6
79.05086	1.8
79.05494	22.4
81.03419	100.0
81.06610	2.4
81.07056	37.3
83.04992	13.8
83.08624	31.5
85.02903	55.8
85.06542	3.6
85.10151	2.6
87.32630	1.4
91.05480	32.4
93.07045	19.6
95.04393	1.7
95.04969	33.3
95.08595	13.1
97.02901	3.2
97.06522	7.3
97.10143	4.6
98.98440	2.6
105.07030	24.3
107.04946	8.1
107.08598	10.9
109.06495	5.6
109.10123	4.4
111.04403	2.2
111.08074	16.7
112.56493	1.4
113.05968	5.2
115.05412	2.0
117.06995	4.5
119.07808	2.3
119.08581	25.9
121.06458	2.2
121.10145	12.3
123.08054	3.5
123.11681	6.0
125.09625	2.0
128.06145	1.8
129.07021	10.9
131.08563	15.8
133.06442	3.9
133.10095	10.3
137.09566	3.5
141.07011	1.5
142.07729	3.8
145.10088	4.6
147.08011	4.2
147.10727	1.5
147.11700	19.0
149.09567	6.0
150.05467	3.8
155.08485	1.6
157.08983	1.5
157.10144	17.5
159.11661	2.9
161.05937	1.8
165.06955	5.2
165.12721	6.3
167.08383	2.1
168.05696	1.9
171.11661	2.0
175.09796	2.0
175.11182	23.3
182.07217	3.6
193.06430	1.9
193.12250	85.9
194.07225	1.7
197.05875	1.5
199.07576	2.8
210.06653	2.6
211.07542	6.6
211.13278	57.2
213.05446	1.7
214.06180	1.5
225.05565	2.2
225.09096	9.7
226.06151	4.5
226.09773	5.2
227.03433	1.8
227.06882	6.0
229.14268	2.4
239.06961	3.0
241.08554	2.9
241.29263	1.4
242.05649	5.7
242.09346	4.3
253.08583	12.5
254.09297	5.0
255.06493	4.6
255.09163	1.7
257.08240	7.5
257.11618	3.3
267.15842	7.2
270.08759	4.5
285.04382	2.9
285.07495	21.5
285.11096	32.6
285.16873	47.7
285.21756	3.4
285.24146	6.0
285.29892	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01870	2.3
55.05513	9.5
57.03440	17.3
57.07054	1.8
63.00035	2.9
67.05508	15.6
68.99796	1.7
69.03434	3.1
69.07050	4.9
71.04981	5.4
71.47899	2.3
79.05489	12.1
81.03419	43.6
81.07055	18.5
81.98569	1.4
83.04990	7.3
83.08614	14.8
85.02905	25.8
85.06564	1.6
85.63020	1.6
91.05494	13.7
93.07039	11.1
95.04972	17.4
95.08618	6.0
97.06527	4.4
98.98465	3.5
105.07030	16.4
107.04944	4.8
107.08611	5.2
109.06515	3.4
109.10123	2.7
111.04411	1.6
111.08101	9.5
113.06016	2.9
117.07038	1.6
119.08582	10.6
121.06555	1.9
121.10126	5.6
123.11690	1.5
126.91842	1.4
129.06973	7.2
131.08566	5.4
133.06502	1.4
133.10168	6.8
135.08038	1.5
137.05949	1.6
142.07846	1.5
143.08496	2.5
145.10118	2.2
147.08145	1.7
147.11682	12.1
149.09669	4.5
150.05508	4.4
152.06229	4.4
153.06946	1.7
157.10138	8.7
160.97557	1.7
161.05998	2.4
165.07027	9.5
166.07779	2.8
167.08618	3.3
168.05675	2.4
169.10045	3.0
175.11185	8.7
181.06514	4.0
182.07382	6.6
183.08121	2.4
192.09955	1.5
193.06566	4.6
193.12250	40.1
194.07323	6.9
195.08113	2.8
196.05154	1.9
197.06018	3.1
197.09583	3.4
198.06815	1.5
199.07585	4.6
201.05353	7.1
209.06010	1.9
210.06778	5.6
211.07632	9.2
211.13268	23.4
212.04738	1.8
214.06258	2.8
221.05980	2.5
224.04678	1.4
225.05545	2.8
225.09111	24.2
226.06328	3.2
226.09897	5.8
227.03409	3.5
227.07027	15.0
229.05000	1.8
238.06242	3.0
239.07033	11.6
241.08582	2.4
242.05704	9.4
242.09390	6.4
253.04962	2.3
253.08594	33.6
254.09386	19.4
255.06467	11.2
257.08145	10.5
257.11716	4.9
270.05801	2.3
270.08878	21.4
285.04358	3.0
285.07639	25.3
285.11221	100.0
285.16684	19.8
285.22064	3.0
285.29575	2.4
286.11420	2.0
286.31042	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05518	25.7
57.03439	57.4
57.07059	3.6
59.04973	3.5
60.79375	2.5
67.05508	55.2
69.03419	5.3
69.07071	13.8
70.66769	5.5
71.04989	15.9
79.05495	52.7
81.03424	96.2
81.07063	59.5
83.04990	21.2
83.08164	3.4
83.08620	37.5
85.02908	95.5
90.91720	2.9
91.05484	61.0
93.07048	43.0
95.04982	48.5
95.08607	27.8
97.02878	4.5
97.06519	7.7
97.10190	3.3
105.07033	43.1
107.04955	8.8
107.08605	15.1
109.06509	11.4
109.10131	9.7
111.04439	6.1
111.08072	22.6
113.05998	9.1
117.07008	5.1
119.08593	36.6
121.06580	3.7
121.10162	23.4
123.08083	6.4
123.11696	5.8
125.09651	3.2
129.07025	18.9
131.08566	26.6
133.06429	5.9
133.10138	18.8
135.11687	3.1
135.88466	2.7
137.09660	4.3
143.08572	4.0
145.10159	8.2
147.11694	32.7
149.09633	13.4
157.10138	27.7
157.50633	2.9
159.11620	5.7
165.07031	6.6
165.12727	8.6
169.10179	3.2
171.01317	4.5
173.13229	3.0
175.11185	30.4
181.06419	5.7
182.07272	3.7
183.08157	2.9
193.12256	100.0
197.09554	6.9
197.13242	3.3
210.06783	3.7
211.07532	13.1
211.13303	76.2
225.09044	10.8
226.09891	19.8
227.07008	8.0
235.07425	3.1
242.05745	6.3
242.09315	8.4
253.08458	5.7
257.11700	19.0
285.07587	11.5
285.11185	34.0
285.16809	58.3
285.22211	12.7
285.25247	3.2
285.29865	6.8
285.33557	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65566	2.5
53.03944	5.5
55.01865	8.1
55.05508	29.3
57.03439	51.5
57.07063	3.9
58.81962	2.3
65.03935	3.4
67.05505	51.0
69.03420	6.4
69.07069	15.3
71.05006	12.3
79.05495	43.5
79.70904	2.4
81.03419	84.5
81.07056	64.6
83.04979	19.3
83.08620	38.6
85.02906	95.0
85.06554	4.9
89.89278	2.5
91.05481	55.3
93.07039	34.3
95.04974	41.9
95.08602	32.5
97.02882	4.9
97.06530	8.1
97.10161	7.8
98.98448	4.2
105.07029	36.6
107.04972	8.0
107.08578	14.4
109.06512	10.9
109.10140	7.5
111.04427	4.3
111.08079	21.6
113.06010	8.4
115.05495	4.1
117.07014	5.4
119.08588	36.0
121.10123	20.4
123.08064	3.2
123.11704	7.4
129.07030	18.4
131.08553	22.6
133.06483	5.6
133.10135	20.5
137.05969	2.9
137.09654	4.1
139.65346	2.6
142.07840	6.0
145.10123	9.8
147.08046	5.9
147.11681	28.9
149.09616	13.4
150.05489	2.7
151.08878	2.7
157.10115	28.3
159.11688	6.7
165.06979	6.1
165.12767	5.8
169.06514	3.6
171.01326	5.3
171.11722	4.3
173.13217	3.2
175.11168	29.6
175.14864	2.7
181.06473	3.3
183.08018	4.6
193.12245	100.0
197.05972	3.5
197.09666	4.4
199.07584	2.8
210.06702	6.4
211.07558	12.8
211.13280	73.9
225.09113	8.1
226.09885	13.9
227.06903	5.0
227.17953	2.7
242.05730	3.8
242.09309	7.1
243.17377	2.6
253.08661	6.1
257.07913	3.5
257.11740	9.8
270.08792	3.5
271.79803	2.5
285.04254	3.7
285.07486	10.6
285.11252	29.9
285.16788	54.6
285.22137	10.1
285.25632	5.6
285.29730	3.3
285.33423	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03940	0.2
56.81483	0.2
57.40244	0.2
64.03410	0.2
65.03937	0.4
67.01852	0.2
68.99793	2.2
69.03442	0.3
70.61466	0.4
70.61812	0.3
77.94800	0.2
79.05492	0.7
81.03428	0.4
91.05487	0.4
92.88628	0.2
95.04974	0.3
97.02917	2.4
103.05401	0.2
105.03407	1.1
105.07043	0.3
107.04967	1.2
107.08624	0.3
109.02888	0.8
111.00826	1.3
111.04459	0.2
121.02882	8.3
121.03888	0.4
125.30540	0.2
127.03905	0.5
128.85907	0.2
129.07060	0.4
133.02881	1.2
135.04413	0.3
135.08067	0.2
137.02359	2.4
139.05426	0.2
141.06950	0.2
143.04991	0.2
144.44698	0.2
145.06505	0.7
147.04393	1.3
149.91541	0.2
153.01842	11.0
155.04922	0.2
157.06488	1.3
161.06046	0.3
165.01862	3.9
169.06425	0.2
171.03004	0.2
171.04379	0.9
183.02896	1.7
185.05948	1.1
189.05542	0.3
197.06075	0.3
203.06963	0.2
213.05467	3.4
216.04163	0.3
229.04935	0.6
231.06468	1.2
241.04959	1.6
243.06538	0.3
243.62286	0.2
258.05325	2.5
259.06039	0.9
260.40213	0.2
269.04431	0.5
271.93176	0.2
287.05521	100.0
287.16080	1.6
288.05792	1.5
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
55.01842	0.3
55.05520	0.3
57.07080	0.3
57.14813	0.2
65.03951	0.3
67.01848	0.4
67.05502	0.8
68.99795	2.2
69.03422	0.3
69.07058	0.7
69.41972	1.4
74.92707	0.2
77.62417	0.2
79.05489	1.0
81.03416	0.3
81.07063	1.2
83.08590	0.3
91.05495	0.7
91.97675	0.3
93.07047	1.0
95.04963	0.8
95.08582	1.1
98.20796	0.4
103.05489	0.4
105.03391	1.0
105.07025	1.0
107.04956	1.5
107.08638	0.5
108.96809	0.2
109.02892	0.9
109.06528	0.3
109.10160	0.5
110.07719	0.3
111.00808	1.0
116.05141	0.2
117.07012	0.5
119.04945	0.4
119.08589	0.5
121.02867	7.2
121.03889	0.4
121.10159	0.5
122.06039	0.3
123.11697	0.5
129.06976	0.5
131.08551	0.5
133.02867	1.0
133.10147	0.9
135.04436	0.4
135.11758	0.3
136.07663	0.3
137.02338	2.3
141.06979	0.4
145.06503	0.6
145.10152	0.5
147.04440	1.2
147.11684	0.5
151.57669	0.3
153.01839	10.5
157.06482	1.6
157.10170	0.3
159.11696	0.5
161.05980	0.3
161.13304	0.3
165.01854	3.8
171.04466	0.9
173.13203	0.5
183.02930	1.4
183.04369	0.3
185.06024	1.2
189.05496	0.4
197.05943	0.5
201.16371	0.3
203.07079	0.3
213.05478	3.1
213.16432	0.4
229.04895	0.4
231.06516	1.1
241.04974	2.0
243.06590	0.3
258.05255	2.5
259.06052	0.6
269.04465	0.3
269.22586	0.5
286.04681	0.3
287.05508	100.0
287.23648	2.1
288.05899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03946	0.3
54.86053	0.1
55.01869	0.2
59.85079	0.1
64.97928	0.1
65.03934	0.6
67.01848	0.3
68.99789	2.7
69.03416	0.2
69.65740	0.3
69.66155	0.6
75.03611	0.1
76.83367	0.1
79.05509	0.8
81.03416	0.4
91.05479	0.1
95.04961	0.2
103.05450	0.2
105.03387	1.0
107.04288	0.2
107.04961	1.3
109.02905	0.9
111.00815	1.5
111.04436	0.4
115.05477	0.2
117.06992	0.2
119.04964	0.2
121.02877	7.5
121.03873	0.4
127.03922	0.2
127.05576	0.1
129.07021	0.5
133.02876	1.0
135.04427	0.4
137.01373	0.2
137.02354	2.8
141.06973	0.4
145.06467	0.6
147.04407	1.8
153.01839	11.9
155.06094	0.2
157.06509	1.7
161.05971	0.6
165.01852	4.0
169.06485	0.2
171.04417	0.9
171.81790	0.1
183.02919	1.6
185.05974	1.2
189.05496	0.3
191.03214	0.1
194.60406	0.1
197.05983	0.3
203.03563	0.2
203.07054	0.3
213.05452	3.4
216.04333	0.2
229.05009	0.6
231.06522	1.3
241.04987	1.5
243.06598	0.3
258.05212	2.3
259.06030	0.9
269.04431	0.4
287.05511	100.0
288.05811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01871	0.3
65.03941	0.4
67.01857	0.4
68.99791	2.7
69.03423	0.2
70.92736	0.2
70.93071	0.3
77.03894	0.1
79.05487	0.5
81.03407	0.5
91.05554	0.1
94.04147	0.2
97.02847	0.2
103.05486	0.3
105.03391	1.2
107.04964	1.2
109.02897	0.9
109.71053	0.1
111.00799	1.3
111.04407	0.2
115.05492	0.3
119.04898	0.3
121.02873	8.1
121.03915	0.5
127.03922	0.7
129.06970	0.4
133.02844	0.9
133.40880	0.1
135.04324	0.3
137.02345	2.9
137.03316	0.3
141.06984	0.4
145.06473	0.5
147.04408	1.5
151.03926	0.1
153.01837	11.1
157.06519	1.5
161.05989	0.4
165.01855	4.1
171.04437	0.6
175.07594	0.2
183.02882	1.5
185.05968	1.4
189.05432	0.4
197.06010	0.3
197.72136	0.2
201.05461	0.2
203.03410	0.3
203.07051	0.3
213.05478	3.4
216.04085	0.3
218.05818	0.2
229.05069	0.4
231.06528	1.3
241.04965	1.6
243.06491	0.2
245.04500	0.2
258.05267	2.6
259.06128	0.7
269.04443	0.4
287.05508	100.0
288.05878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01855	0.3
65.03928	0.5
67.01856	0.3
68.99789	2.3
69.03418	0.2
69.07040	0.2
69.89723	0.7
74.89651	0.2
79.05489	0.7
81.03398	0.3
82.84614	0.1
83.77061	0.1
86.09698	0.2
87.39381	0.1
88.36324	0.1
91.05475	0.3
95.04962	0.4
97.02879	0.2
103.05489	0.3
105.03365	0.9
105.07009	0.3
107.04946	1.8
107.08595	0.2
109.02875	0.9
111.00817	1.5
111.04462	0.3
115.05446	0.2
117.06953	0.2
119.04987	0.1
119.08582	0.2
121.02863	7.2
121.03809	0.2
127.03906	0.3
128.06161	0.2
129.06970	0.4
133.02849	1.2
133.10037	0.2
135.04364	0.4
136.07568	0.3
137.02344	2.2
139.46877	0.1
141.07010	0.2
145.06465	0.6
147.04410	1.3
153.01830	10.3
157.06473	1.4
161.05972	0.4
163.03905	0.2
164.07065	0.2
165.01830	3.9
166.02235	0.2
169.06413	0.3
171.04411	0.6
177.14969	0.1
181.06487	0.2
183.02901	1.6
184.05151	0.2
185.05983	1.4
194.02083	0.2
197.05954	0.3
203.06995	0.3
212.04546	0.2
213.05476	3.1
216.04311	0.2
229.05046	0.6
231.06549	1.4
241.04922	1.6
243.06468	0.3
245.04338	0.2
257.10999	0.2
258.05258	2.7
259.06088	0.9
269.04507	0.3
269.08368	0.2
270.23767	0.2
287.05493	100.0
288.05826	1.5
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	Kaempferol
Peak:m/z	Relative Intensity
53.03921	0.2
55.01865	0.2
65.03931	0.3
66.79784	0.1
67.01854	0.3
67.05509	0.1
68.99792	2.4
69.03422	0.2
70.31984	0.1
71.01369	0.1
72.59971	0.1
77.03915	0.1
79.05492	0.9
81.03395	0.4
81.07047	0.1
83.81011	0.1
91.05462	0.2
95.04951	0.3
95.08584	0.1
97.02899	0.1
103.05428	0.3
105.03390	0.9
105.04493	0.1
105.07006	0.3
106.06544	0.2
107.04958	1.3
107.06927	0.2
107.08581	0.1
109.02892	0.8
111.00798	1.8
111.04443	0.3
115.05424	0.3
117.07017	0.2
119.04926	0.1
119.08607	0.2
121.02873	6.6
121.03922	0.4
121.10106	0.1
127.03917	0.3
128.06189	0.3
129.07030	0.4
133.02832	0.9
133.06523	0.2
135.04391	0.4
135.08041	0.1
136.07539	0.2
137.02341	2.1
139.05440	0.1
141.07025	0.2
145.06500	0.6
145.71748	0.1
147.04410	1.6
151.03789	0.1
153.01828	11.5
157.06485	1.4
161.02357	0.1
161.05962	0.4
165.01846	3.6
166.02560	0.2
169.06563	0.2
171.04424	0.8
175.03868	0.2
175.07552	0.2
183.01315	0.2
183.02901	1.6
183.04503	0.1
184.05235	0.1
185.05951	1.4
189.05441	0.3
197.05969	0.2
199.03903	0.2
201.05582	0.1
203.03369	0.2
203.07115	0.3
212.04662	0.1
213.05463	3.2
217.04974	0.1
229.04936	0.5
231.06520	1.6
241.04956	1.8
243.06436	0.2
245.04424	0.1
258.05255	2.6
259.06058	0.7
263.05649	0.1
269.04395	0.4
270.05014	0.1
287.05499	100.0
288.02982	0.1
288.05847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01903	0.2
55.05489	0.2
55.24995	0.1
65.03937	0.4
66.49813	0.1
67.01851	0.4
68.99792	2.2
69.03410	0.2
69.78089	0.8
71.01373	0.2
79.05481	0.5
81.03422	0.3
81.07071	0.2
91.05525	0.1
93.07037	0.3
95.04963	0.2
95.08595	0.2
103.05421	0.2
105.03386	1.0
105.07011	0.1
107.04973	1.1
107.08572	0.2
109.02861	0.7
109.10162	0.2
111.00802	1.6
111.04405	0.3
115.05437	0.2
119.04915	0.3
119.08593	0.2
121.02875	7.0
121.03865	0.4
121.10133	0.2
127.03922	0.2
129.07016	0.4
132.96239	0.2
133.02887	0.9
135.04433	0.4
135.08119	0.2
137.02353	2.1
143.08548	0.2
145.06491	0.6
147.04433	1.3
147.11639	0.2
153.01840	11.1
157.06483	1.6
161.05956	0.4
165.01857	4.0
169.06584	0.2
171.04408	0.6
175.07584	0.2
183.02896	1.4
184.05196	0.2
185.05978	1.2
189.05499	0.3
197.05991	0.4
199.03986	0.2
201.05559	0.2
201.16455	0.2
203.07056	0.2
213.05473	3.1
216.04233	0.3
229.04987	0.4
231.06554	1.3
241.04974	1.7
248.86295	0.1
258.05304	2.5
259.06061	0.9
260.30347	0.1
269.04459	0.3
269.22629	0.2
287.05508	100.0
288.05829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.23524	0.1
53.03946	0.3
55.05492	0.1
56.96546	0.4
58.06594	0.2
59.28255	0.1
60.04525	0.1
63.00024	0.1
64.79691	0.1
65.03926	0.5
67.01853	0.4
68.99797	2.1
69.00163	0.1
69.03419	0.4
70.01250	0.3
70.01643	0.3
70.06593	1.1
71.01339	0.2
72.08154	1.1
75.09258	0.2
79.05486	0.6
81.03409	0.4
81.07065	0.2
84.04508	0.2
84.08142	0.8
85.02900	0.3
86.09697	0.6
91.05494	0.2
95.04941	0.3
97.02871	0.3
98.97579	0.4
99.89261	0.1
103.05488	0.3
105.03406	0.9
107.04960	2.5
108.24091	0.1
109.02887	0.9
111.00811	1.7
111.04434	0.3
112.08649	0.1
115.05453	0.2
116.07098	0.5
116.98634	0.2
117.06964	0.1
119.04909	0.3
121.02867	8.1
121.03867	0.4
125.07111	1.3
127.03971	0.7
129.06976	0.4
129.10248	0.3
131.04941	0.1
133.02859	0.9
135.04434	0.2
137.02336	2.0
140.93402	0.1
141.06995	0.3
143.11809	0.2
145.02832	0.2
145.06543	0.6
147.04428	1.6
149.06013	0.1
151.03920	0.3
153.01833	10.2
155.06015	0.2
156.07634	0.1
157.06502	1.6
161.06003	0.4
165.01849	3.8
165.03247	0.2
167.04955	0.2
169.06406	0.2
171.03004	0.2
171.04404	0.6
171.07619	0.2
173.05933	0.2
175.07674	0.2
183.02888	1.6
185.06012	1.3
189.05479	0.3
194.02130	0.2
197.05998	0.3
201.05557	0.2
203.03571	0.2
203.07104	0.3
213.05467	3.2
219.82060	0.1
229.04846	0.3
231.06514	1.3
241.02660	0.2
241.04909	1.7
242.05771	0.2
243.06555	0.1
245.04503	0.3
258.05258	2.4
259.06107	1.0
269.04477	0.5
287.05502	100.0
288.05829	1.6
288.20316	0.2
294.37903	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Heraclenin
Peak:m/z	Relative Intensity
50.30597	0.4
52.12432	0.3
53.03923	0.5
54.62220	0.3
55.05495	0.9
56.38528	0.3
57.07072	2.4
62.82033	0.3
63.74354	0.4
65.03944	5.7
67.05507	29.6
67.79338	0.4
68.25804	0.4
68.99756	1.2
69.03423	0.4
69.07056	0.9
69.45994	1.3
69.46427	1.2
71.04994	0.4
79.05478	1.0
79.77387	0.4
81.03387	0.5
81.07052	1.9
83.04951	0.5
84.89057	0.3
85.06545	19.1
89.03909	1.4
91.05502	1.9
91.05950	0.4
93.07024	1.6
95.04948	0.7
95.08588	1.3
97.06512	0.7
103.05415	0.7
105.03389	0.5
105.06998	1.4
107.04937	0.9
107.08568	1.5
109.02867	0.6
109.10149	0.5
117.03349	0.3
117.07003	0.6
119.04950	0.5
119.08555	1.6
121.02840	3.4
121.06465	0.5
121.10126	1.2
121.22691	0.3
129.03345	1.4
131.04922	5.7
131.08530	0.5
133.02852	0.4
133.10103	1.0
137.02332	0.8
137.05916	0.4
137.89409	0.4
141.07028	0.6
143.08563	0.8
145.02870	1.9
145.06549	0.5
145.10127	0.8
147.04417	21.6
147.11676	0.7
149.13153	0.5
153.01825	4.6
157.02866	2.6
157.06541	0.6
159.04424	2.3
159.11682	0.8
161.05902	0.5
161.13243	0.6
165.01843	1.7
171.01361	0.9
171.04422	1.2
173.02344	5.5
174.03151	1.3
175.03915	6.8
177.06773	0.8
183.02893	0.6
185.02318	2.6
185.05966	0.5
187.03865	0.4
197.06012	0.4
199.03894	0.9
199.07603	0.6
201.01836	4.9
201.16367	0.5
202.02635	2.8
203.03397	100.0
204.03792	1.2
211.14890	0.4
213.05528	1.5
213.09164	0.6
213.16351	0.6
215.03400	1.5
227.06946	0.9
229.05017	0.4
231.06511	0.8
241.05002	0.5
241.08638	1.0
243.06496	2.5
255.10107	0.5
258.05292	1.0
259.06039	0.5
259.09650	0.6
261.13379	0.7
269.05106	0.7
269.08038	4.4
269.19229	0.5
269.22623	0.9
276.13086	0.4
287.05530	47.0
287.08954	5.1
287.20010	1.3
287.23712	1.9
288.06094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78286	0.1
51.02377	0.2
53.03944	0.3
53.52084	0.2
55.01867	0.2
55.05522	0.8
56.05029	0.3
56.96566	1.9
57.03429	0.2
58.06596	0.3
60.04508	0.4
62.94757	0.2
63.00051	0.2
65.03934	0.6
67.01860	0.5
67.05505	0.2
68.99444	0.2
68.99793	2.2
69.03433	0.9
69.07053	0.6
69.42361	1.2
70.02930	0.2
70.06596	2.6
71.01327	0.2
71.04995	0.2
71.06906	0.2
72.08160	4.9
73.02929	0.3
73.44193	0.2
75.09236	0.7
79.05497	0.9
81.03419	0.6
84.04491	0.6
84.08148	2.1
84.96040	0.3
85.02912	1.2
85.06519	0.4
86.09703	1.2
91.05477	0.4
95.01353	0.2
95.04949	0.2
97.02903	0.9
97.07669	0.2
98.06023	0.2
98.20763	0.3
98.97591	2.4
98.98270	0.2
98.98485	0.2
103.05450	0.2
105.03383	1.1
105.07004	0.2
106.06557	0.6
107.04959	9.2
107.06879	0.3
108.05267	0.2
108.07978	0.2
109.02879	1.2
110.07173	1.0
110.97576	0.6
111.00814	1.7
111.04429	0.4
112.08720	0.2
115.05473	0.3
115.08680	0.3
116.07066	0.5
116.98655	0.8
117.06951	0.2
119.01907	0.2
119.04975	0.3
121.02873	8.7
121.03922	0.6
123.04431	0.8
124.07569	0.8
124.99113	0.2
125.07117	0.4
125.07934	0.5
127.03892	0.9
128.06239	0.2
128.98615	0.7
129.07008	0.5
129.10260	0.7
130.04988	0.2
130.93320	0.5
131.38516	0.1
133.02838	0.8
134.99637	0.2
135.04388	0.5
136.06209	0.2
137.02335	2.8
141.06938	0.3
143.00134	0.3
143.01857	0.2
143.11858	0.2
145.02817	0.2
145.06464	0.7
147.04402	1.8
148.94327	0.2
153.01836	11.1
154.02127	0.2
154.03763	0.2
155.01907	0.2
155.04652	0.4
155.05957	0.3
156.07689	0.5
157.06491	1.5
158.99644	0.6
159.03273	0.2
159.11304	0.2
161.04645	0.4
161.05986	0.4
163.02603	0.2
163.04341	0.4
164.07039	0.2
165.01843	4.0
169.06516	0.2
170.05125	0.3
171.03015	0.2
171.04353	0.8
171.14879	0.4
172.94383	1.3
173.02969	0.3
173.07155	0.2
175.03857	0.2
175.11972	0.4
177.00763	0.3
181.13364	0.9
183.02905	1.8
185.05923	1.1
189.05568	0.3
190.95390	1.0
197.06126	0.3
203.03961	0.3
208.96542	0.3
213.05492	3.3
214.95364	0.3
217.04962	0.2
218.05989	0.2
219.01804	0.8
221.05028	0.9
229.04942	0.4
231.06589	1.6
232.96484	0.9
237.02876	0.5
241.04953	1.5
245.04416	0.2
250.97517	0.6
258.05252	2.4
259.05945	0.8
262.93799	0.3
269.04510	0.3
269.15198	0.2
287.05518	100.0
287.10690	23.8
288.05841	2.2
288.11246	0.3
288.20309	0.6
309.08432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1279
Annotation	7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
61.86223	0.3
67.05405	0.6
68.99710	0.8
69.48943	0.9
69.49353	1.5
75.04401	0.4
79.05448	0.5
81.06981	0.7
91.05418	0.5
93.06975	0.4
95.49799	0.3
97.06418	0.4
105.03320	0.4
105.06939	0.8
107.04873	0.8
109.51469	0.4
121.02876	2.3
123.04348	0.5
129.06941	0.5
130.50568	0.4
131.04807	0.5
131.08521	0.5
135.08054	0.4
137.02316	0.6
137.05933	0.5
141.06850	0.7
143.08415	0.4
144.04391	0.4
145.06424	0.4
147.04324	0.5
149.05928	0.6
151.01491	0.4
152.06102	1.3
153.01843	3.4
153.06874	0.7
154.07721	0.5
157.06398	0.5
159.11670	0.4
161.05991	4.1
165.01715	0.8
165.07014	3.5
166.07668	0.6
167.08527	2.3
168.05615	0.4
169.06509	2.7
171.04373	0.4
171.08028	0.7
173.05820	0.4
177.06680	1.3
179.08408	0.4
180.05725	1.6
181.06480	4.7
182.07155	1.4
183.02797	0.8
183.07945	1.1
184.08847	1.6
185.05937	0.8
187.07526	0.4
191.10605	0.6
194.07237	0.6
195.06334	0.6
195.08052	11.6
196.08835	10.9
197.05981	6.4
197.09576	1.1
198.06635	0.6
199.07495	0.8
199.11110	1.0
208.05206	0.6
209.05930	1.1
210.06673	0.3
211.07552	2.2
212.08321	16.5
213.05409	0.9
213.09050	3.0
223.07530	3.0
224.08276	3.8
225.05382	1.1
225.09042	1.3
225.40677	0.3
226.09654	0.6
227.06970	0.8
227.10680	13.9
228.23180	0.4
229.08690	1.6
237.08980	0.7
238.09885	1.3
239.06982	0.7
240.07758	5.1
241.08623	5.4
243.10097	0.4
244.10521	0.8
253.08536	1.2
255.10164	100.0
256.10925	8.8
257.08032	1.3
258.05310	0.6
259.09558	0.6
271.09677	0.7
272.10349	3.3
287.05542	30.8
287.09021	1.3
287.12708	33.9
287.19815	0.9
288.29031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1283
Annotation	7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03972	0.5
56.96569	0.5
60.04519	0.4
67.05514	0.5
68.99785	0.4
69.22055	0.9
69.22461	3.2
71.61179	0.4
75.04489	0.7
79.05515	0.5
81.59715	0.4
85.26709	0.4
91.05495	0.7
97.00542	0.6
97.06532	1.3
98.21552	0.8
105.07030	0.7
117.07021	0.5
119.71857	0.4
121.02879	1.7
121.10163	0.6
129.06984	0.8
131.04930	0.9
135.08046	0.5
141.07004	0.9
147.04477	0.7
149.06001	0.7
152.06201	2.8
153.01866	2.4
153.06984	1.7
155.08505	0.5
157.06505	0.4
161.05988	8.9
161.86464	0.4
165.01872	0.9
165.06976	4.2
166.07755	1.4
167.08578	3.1
168.05632	0.4
169.06479	3.7
171.08105	1.0
177.06854	1.2
180.05702	3.6
181.06503	5.4
182.07265	1.9
183.08020	2.0
184.08829	2.4
185.06042	0.9
191.71626	0.5
195.08061	13.6
196.08850	15.2
197.05972	9.1
197.09637	1.6
198.06664	1.4
199.07652	0.6
199.11185	1.3
201.09056	0.5
203.73251	0.4
208.05147	0.7
209.06042	1.1
210.06795	0.9
211.07610	3.1
212.08322	21.9
213.05554	0.9
213.08975	4.8
214.05978	0.6
223.07588	2.4
224.08311	3.7
225.05421	2.1
225.09010	2.1
226.09819	0.9
227.07127	0.9
227.10669	20.9
229.08420	3.3
237.09155	0.6
239.07043	2.1
240.07498	13.1
241.08598	9.4
243.10126	0.9
244.10619	4.1
253.08604	0.6
254.09273	0.5
255.10175	100.0
256.10889	12.7
257.08032	2.0
271.09726	1.2
272.10162	9.2
286.11398	0.5
287.05576	21.6
287.12622	55.5
287.27808	0.5
288.12891	0.9
288.28983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	0.5
55.05495	0.5
61.85160	0.4
63.41241	0.4
65.03925	0.7
67.01862	0.4
67.05507	5.4
68.99787	1.8
69.03426	0.8
69.07067	0.8
70.02941	0.5
70.06580	0.7
71.05004	0.5
71.48317	0.4
72.04020	0.4
72.08169	0.8
79.05488	2.1
81.03425	0.5
81.07051	1.3
83.08595	0.5
84.08134	0.9
86.09720	1.1
91.05482	2.8
93.07043	3.4
94.06569	7.0
95.04966	1.2
95.08599	1.1
96.07200	0.4
96.08137	0.8
97.02980	0.8
97.04022	13.7
103.05492	0.6
105.03398	1.0
105.07013	2.1
107.04946	3.3
107.08575	1.0
108.04453	0.5
108.08139	1.3
109.02885	0.7
109.06533	0.6
109.10143	0.6
110.09681	1.7
111.00809	1.3
111.04472	0.4
115.05458	0.6
117.07024	0.7
119.08577	1.5
120.08102	1.8
121.02872	6.0
121.03944	0.7
121.06483	0.6
121.10164	0.4
122.06030	34.9
123.11745	0.4
124.07594	10.9
124.08500	0.5
126.05527	0.8
129.06993	1.2
131.08557	1.0
133.02890	0.7
133.10121	1.0
136.07582	54.5
137.02365	1.2
138.09140	11.6
140.07101	0.5
141.07008	0.7
142.07739	0.4
143.08585	0.9
145.06548	0.6
145.10107	2.8
147.04431	1.1
147.08089	0.8
147.11725	1.3
150.05479	1.2
151.05840	1.1
152.06013	1.0
152.07083	1.6
153.01825	8.4
153.07016	0.4
156.09384	0.5
157.06509	1.3
157.10124	1.9
159.11711	1.3
161.06015	0.7
162.05511	1.1
162.09175	1.1
163.11143	0.5
164.07074	18.6
165.01825	2.4
168.05757	0.5
169.06450	0.5
171.11676	1.2
173.09605	0.8
173.13275	1.2
174.09163	1.6
175.11241	0.8
181.06450	0.4
182.40652	0.4
183.02925	1.2
185.05997	1.2
188.10762	1.0
188.14355	0.5
191.10677	1.4
192.10254	0.6
197.05957	0.4
199.03909	0.5
199.07544	0.6
199.11272	0.8
201.12733	0.4
201.16353	0.7
203.15735	0.4
212.04637	0.5
212.15685	0.5
213.05464	2.3
214.12381	0.5
216.10291	0.6
216.13863	1.4
227.06953	0.4
227.10677	0.5
229.04932	0.6
231.06567	1.0
231.14706	0.4
237.05487	0.6
241.05013	0.9
241.09674	1.1
244.03760	0.6
244.13411	1.5
245.04585	0.6
255.06612	0.4
256.05603	1.6
258.05301	1.5
259.05994	0.6
259.14444	6.5
269.04364	0.4
269.09351	0.4
269.12778	0.6
269.22949	0.4
287.05515	79.2
287.13895	100.0
287.23700	1.5
288.05914	1.9
288.14294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03939	2.1
55.05515	14.9
56.96571	1.1
57.03415	1.7
57.07071	4.7
67.05508	17.5
68.99792	3.2
69.03419	1.9
69.07067	10.5
69.27508	4.9
69.27944	5.8
71.04993	4.0
71.08617	1.4
76.03994	3.5
79.05496	13.5
81.06594	2.7
81.07061	47.6
83.04962	1.4
83.08616	5.6
85.06519	1.6
89.99792	1.2
91.05495	12.7
93.07053	33.3
95.04959	3.6
95.08067	1.9
95.08620	26.2
96.66792	1.3
97.02862	1.3
97.06539	8.2
97.10160	1.8
105.04545	1.4
105.07035	27.0
107.04970	1.9
107.08601	27.2
108.77631	1.4
109.06534	5.0
109.10164	34.8
111.00795	2.3
111.08073	2.2
112.41622	1.5
117.07005	2.4
119.08594	28.1
121.02881	7.8
121.10155	22.2
123.08081	4.6
123.11707	15.3
124.63899	1.2
125.09656	3.9
129.07016	3.0
131.08566	10.1
133.10139	15.6
135.08080	1.7
135.11699	14.8
137.02327	2.9
137.09608	3.3
137.13263	1.8
139.11197	1.3
143.08578	6.3
144.09378	1.6
145.10132	12.3
147.04430	2.4
147.11693	17.6
149.09650	1.7
149.12206	1.6
149.13287	16.7
151.11162	1.6
153.01828	10.1
156.09358	1.5
157.06433	2.5
157.10155	11.0
159.11716	18.1
161.13261	14.1
162.69888	1.4
163.11209	2.4
163.14841	7.3
165.01854	3.6
165.12732	1.8
171.11702	7.6
173.02365	2.2
173.13284	13.8
175.11302	1.2
175.14815	6.3
177.12685	2.4
177.16310	1.7
183.02872	1.5
185.13272	4.6
187.14853	4.8
189.16397	5.0
191.17975	2.6
199.14790	9.4
201.16400	2.8
203.17972	5.5
205.15897	1.6
213.05504	2.3
213.16394	11.3
215.17944	4.2
217.15955	2.4
219.02869	5.2
227.17938	3.4
229.19511	6.4
231.21158	1.6
236.96269	1.3
259.06281	1.5
269.22641	33.7
287.05524	100.0
287.20303	3.7
287.23688	73.1
288.05856	2.1
288.24026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01865	0.2
55.05508	0.8
56.09696	0.1
58.96244	0.1
61.61242	0.1
65.03949	0.2
67.01868	0.3
68.99791	1.9
69.03416	0.2
69.86973	0.4
69.87383	0.2
70.00111	0.5
70.06594	0.6
70.90125	0.1
72.08157	7.4
79.05486	0.4
80.05823	0.3
81.03392	0.3
82.03721	0.2
85.02867	0.1
86.09223	0.2
86.09708	2.5
86.81852	0.1
91.05482	0.3
92.05817	0.1
94.03700	0.1
95.04977	0.2
97.02906	0.1
103.05485	0.1
105.03381	0.4
106.03728	0.5
107.04974	0.8
108.05299	0.5
108.08060	0.1
109.02911	0.6
109.47493	0.1
110.03191	0.4
111.00797	0.8
111.04445	0.2
112.01127	0.6
114.98219	0.1
118.07364	0.1
119.04916	0.1
120.05232	0.1
120.08081	0.4
121.02869	4.4
121.03888	0.2
122.03207	4.0
122.04086	0.2
127.03910	0.4
128.04227	0.2
129.06946	0.1
129.10246	2.5
130.07338	0.4
132.10191	1.2
133.02847	0.4
134.03160	0.5
135.04388	0.2
136.04675	0.2
136.07565	0.2
137.02339	1.2
138.02692	0.9
143.11794	0.6
145.06480	0.2
146.06815	0.3
147.04375	0.7
148.04762	1.1
153.01831	6.0
154.02170	5.3
155.02336	0.1
157.06485	0.3
157.09738	1.4
158.06828	0.9
161.05972	0.2
162.02740	0.1
162.06259	0.3
165.01849	1.7
166.02177	1.8
170.06767	0.1
171.04387	0.2
171.11224	0.1
172.04745	0.3
174.06436	0.1
175.03835	0.1
175.11871	0.2
183.02884	0.7
184.03215	0.8
185.05820	0.3
186.06349	0.8
189.12408	0.9
190.05756	0.2
198.06340	0.3
200.04216	0.1
204.07324	0.2
213.05440	0.4
214.05821	2.6
217.04523	0.2
230.05342	0.3
231.06386	0.2
232.06885	1.1
241.04938	0.2
242.05310	1.4
243.14983	0.3
244.06837	0.2
246.04895	0.2
258.05148	0.3
259.05560	2.2
259.08060	0.2
260.06387	0.6
270.04868	0.4
271.14456	0.2
288.05838	100.0
289.06073	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	288.2032
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
53.03943	0.9
53.24738	0.5
55.01880	1.0
55.05514	1.3
56.05041	1.2
56.96567	12.9
57.03443	1.3
58.06577	0.7
59.43485	0.4
59.83185	0.4
60.04520	1.2
60.05651	20.8
61.02921	1.2
66.59525	0.5
68.05048	0.7
69.03429	4.1
69.07079	1.9
69.13632	5.3
70.06595	92.2
70.98119	1.3
71.04660	0.5
71.05006	2.1
71.06931	0.5
72.08157	10.8
73.02898	2.4
76.88685	0.5
81.03417	1.6
82.39201	0.4
82.99075	0.5
83.11295	0.5
84.04517	1.4
84.08147	5.9
84.96050	1.1
85.02910	6.4
85.07677	0.6
86.03165	0.5
86.09709	36.0
88.04005	0.7
88.07669	0.8
91.05489	0.5
95.06111	0.8
97.02888	3.9
97.07703	1.1
98.03214	0.7
98.06056	2.8
98.97584	11.5
100.07610	0.8
101.00903	3.6
101.07202	0.7
107.04945	4.8
108.04509	0.9
108.05270	0.7
109.02900	0.7
110.07187	1.0
110.97574	5.7
112.08729	12.0
112.99121	1.3
113.00899	1.2
113.07125	0.8
114.10313	1.2
115.02437	1.3
115.08701	3.8
116.07095	13.4
116.98609	3.1
119.01904	5.8
120.02010	0.7
121.02899	0.9
123.04456	2.0
124.03820	0.4
124.07585	0.6
124.99122	0.6
126.05550	3.8
127.03938	2.3
128.98604	4.8
129.10263	2.4
130.08774	0.9
130.09781	5.6
131.00284	1.0
131.01921	2.7
133.03481	2.2
134.99677	1.1
136.06210	2.3
137.03061	0.6
140.08212	1.3
143.00168	0.6
143.01907	2.3
145.01682	0.8
145.03465	1.3
145.09781	0.6
146.99644	1.6
149.02869	0.6
152.05692	1.2
153.01840	0.8
154.02142	0.9
155.01880	0.8
155.04683	1.0
155.99655	1.3
156.11334	5.1
156.98053	3.2
157.10841	2.4
158.09262	6.8
158.99701	2.1
159.01466	0.7
159.03293	0.7
160.06477	1.2
161.03014	3.2
162.03148	0.6
165.07417	0.6
166.12276	0.9
170.05014	0.8
171.01349	0.6
172.94350	1.0
173.03003	1.2
173.09247	0.9
174.00757	1.5
174.99146	11.8
175.11909	40.1
177.00790	2.4
177.02461	0.5
177.04097	0.7
178.04932	2.9
182.03371	0.8
183.05064	0.6
183.14925	0.8
185.02977	0.8
185.10356	0.7
185.16635	1.0
186.04443	1.1
187.00894	1.2
189.02463	1.1
190.95436	0.6
191.03984	1.1
191.54381	0.5
193.00235	7.1
199.00826	0.9
201.00711	0.9
203.04045	0.7
205.00195	0.6
206.07011	1.7
208.14397	1.2
210.04707	0.7
211.14407	0.8
212.12778	1.4
215.00435	1.0
217.01984	1.3
219.01698	0.9
219.03616	1.3
221.05035	0.9
221.56616	0.9
223.01376	0.7
223.04817	0.5
224.08087	2.0
225.17082	0.9
228.17081	2.0
229.15504	5.8
237.02792	1.3
242.05316	0.9
247.03104	0.6
249.04295	0.6
252.05048	0.6
253.16672	2.3
254.14970	1.0
259.05753	0.7
260.06503	0.6
270.06702	1.2
270.19226	1.2
271.17636	11.0
287.98227	0.7
288.05597	16.4
288.20303	100.0
289.06641	0.6
289.20746	0.9
291.00555	0.8
306.08560	1.4
309.08566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.9
56.05025	3.0
57.03426	0.9
57.07079	11.8
58.06605	1.1
60.04527	100.0
67.05185	1.7
67.05507	21.3
67.76644	1.0
69.06729	1.4
69.07068	14.6
69.42466	0.9
69.99419	3.5
70.06593	17.9
71.04996	2.6
71.08632	6.0
79.05498	2.6
80.92281	0.9
81.06599	1.4
81.07057	20.2
83.08150	1.2
83.08627	12.4
84.84845	0.8
85.06525	1.0
85.10162	3.4
86.67522	0.8
88.07632	42.1
93.07045	2.2
95.08611	23.0
97.10178	6.9
100.34674	0.9
104.08562	0.9
106.08669	56.6
107.04961	22.3
109.10165	10.9
117.06996	2.3
123.11709	2.6
134.35683	1.0
136.67465	1.0
140.32391	0.9
145.06488	2.5
177.12779	1.0
191.12175	1.0
226.25359	2.1
227.20047	10.6
229.46060	1.1
240.26851	19.0
252.26894	13.0
256.10474	1.4
270.27924	83.3
271.16916	2.9
271.28314	1.3
288.05850	13.4
288.25354	7.0
288.28928	38.9
289.17975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.95300	1.8
56.96567	9.1
57.03427	8.2
60.05632	2.9
61.02922	13.3
68.98267	1.9
69.03428	14.4
70.06582	9.2
70.99837	4.3
71.14366	4.4
73.02915	20.1
73.57908	1.7
74.03249	2.8
77.00917	2.6
81.03411	6.7
82.99817	12.2
84.08150	8.5
84.96014	2.4
85.02908	29.2
86.03211	3.6
87.04467	2.2
89.00838	2.1
91.05466	1.7
97.01390	5.2
97.02901	14.7
98.97591	23.7
99.04489	3.3
101.00887	79.7
102.00941	2.8
103.00605	2.2
103.02432	2.7
109.02909	2.8
110.97541	5.4
112.99146	5.9
113.00859	10.8
114.02556	2.8
115.02423	22.4
115.03857	2.1
116.07095	3.4
116.98634	4.6
117.03978	2.3
119.01921	100.0
120.02037	2.3
121.01638	5.1
125.01850	1.5
126.46961	1.6
127.02386	4.5
127.03919	10.3
128.02316	2.5
128.98586	5.8
129.00313	2.2
129.03981	7.5
129.10249	4.4
131.00153	3.8
131.01907	22.0
133.01611	2.1
133.03473	29.9
137.02913	8.6
138.03432	2.7
139.03331	2.6
140.02312	2.7
142.96576	1.9
143.01906	46.5
144.01993	3.5
144.99831	7.0
145.01630	2.6
145.03447	11.7
145.04889	3.0
146.99629	4.7
147.01350	4.7
147.03127	3.7
147.05045	7.2
147.54002	3.1
149.02985	4.1
151.04570	3.0
155.01799	4.4
155.02820	5.5
157.03432	8.9
158.99654	5.7
159.01289	2.6
159.03229	2.4
161.01511	2.8
161.02960	61.3
162.02997	2.1
162.54605	2.7
163.02788	2.9
167.01880	2.3
168.03600	6.2
168.99834	19.4
171.01410	13.1
172.53938	2.0
173.02943	16.3
174.03069	3.8
174.54604	3.6
174.99193	2.5
175.00862	3.1
175.04437	4.2
176.03387	2.1
176.53505	2.8
177.02600	3.0
177.04143	38.0
179.02275	2.6
183.04993	3.0
183.55092	6.6
184.04845	6.2
185.02977	7.7
186.03122	2.1
186.04678	30.5
187.00899	24.6
187.02585	3.7
187.04485	3.1
188.97128	3.5
189.00746	4.5
189.02443	17.8
191.04015	9.7
192.05608	3.5
192.55640	4.9
193.00128	4.3
193.03680	2.2
193.05499	4.8
196.99274	9.0
197.03033	4.8
199.00858	8.6
199.05478	1.8
200.04483	2.4
201.02440	4.7
203.03975	7.0
204.04337	2.7
205.02019	5.5
207.03511	4.5
213.53577	2.0
214.98492	3.1
215.00381	35.8
215.03777	2.1
217.01912	19.2
219.01666	3.0
219.03520	6.9
221.05060	5.2
227.04086	4.5
229.01964	10.2
231.03496	6.3
233.01591	3.6
247.02988	22.9
250.05301	2.1
257.01468	2.4
259.03049	2.5
264.06680	1.9
265.04205	4.6
275.02441	3.1
280.06409	3.1
289.04031	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.95300	1.8
56.96567	9.1
57.03427	8.2
60.05632	2.9
61.02922	13.3
68.98267	1.9
69.03428	14.4
70.06582	9.2
70.99837	4.3
71.14366	4.4
73.02915	20.1
73.57908	1.7
74.03249	2.8
77.00917	2.6
81.03411	6.7
82.99817	12.2
84.08150	8.5
84.96014	2.4
85.02908	29.2
86.03211	3.6
87.04467	2.2
89.00838	2.1
91.05466	1.7
97.01390	5.2
97.02901	14.7
98.97591	23.7
99.04489	3.3
101.00887	79.7
102.00941	2.8
103.00605	2.2
103.02432	2.7
109.02909	2.8
110.97541	5.4
112.99146	5.9
113.00859	10.8
114.02556	2.8
115.02423	22.4
115.03857	2.1
116.07095	3.4
116.98634	4.6
117.03978	2.3
119.01921	100.0
120.02037	2.3
121.01638	5.1
125.01850	1.5
126.46961	1.6
127.02386	4.5
127.03919	10.3
128.02316	2.5
128.98586	5.8
129.00313	2.2
129.03981	7.5
129.10249	4.4
131.00153	3.8
131.01907	22.0
133.01611	2.1
133.03473	29.9
137.02913	8.6
138.03432	2.7
139.03331	2.6
140.02312	2.7
142.96576	1.9
143.01906	46.5
144.01993	3.5
144.99831	7.0
145.01630	2.6
145.03447	11.7
145.04889	3.0
146.99629	4.7
147.01350	4.7
147.03127	3.7
147.05045	7.2
147.54002	3.1
149.02985	4.1
151.04570	3.0
155.01799	4.4
155.02820	5.5
157.03432	8.9
158.99654	5.7
159.01289	2.6
159.03229	2.4
161.01511	2.8
161.02960	61.3
162.02997	2.1
162.54605	2.7
163.02788	2.9
167.01880	2.3
168.03600	6.2
168.99834	19.4
171.01410	13.1
172.53938	2.0
173.02943	16.3
174.03069	3.8
174.54604	3.6
174.99193	2.5
175.00862	3.1
175.04437	4.2
176.03387	2.1
176.53505	2.8
177.02600	3.0
177.04143	38.0
179.02275	2.6
183.04993	3.0
183.55092	6.6
184.04845	6.2
185.02977	7.7
186.03122	2.1
186.04678	30.5
187.00899	24.6
187.02585	3.7
187.04485	3.1
188.97128	3.5
189.00746	4.5
189.02443	17.8
191.04015	9.7
192.05608	3.5
192.55640	4.9
193.00128	4.3
193.03680	2.2
193.05499	4.8
196.99274	9.0
197.03033	4.8
199.00858	8.6
199.05478	1.8
200.04483	2.4
201.02440	4.7
203.03975	7.0
204.04337	2.7
205.02019	5.5
207.03511	4.5
213.53577	2.0
214.98492	3.1
215.00381	35.8
215.03777	2.1
217.01912	19.2
219.01666	3.0
219.03520	6.9
221.05060	5.2
227.04086	4.5
229.01964	10.2
231.03496	6.3
233.01591	3.6
247.02988	22.9
250.05301	2.1
257.01468	2.4
259.03049	2.5
264.06680	1.9
265.04205	4.6
275.02441	3.1
280.06409	3.1
289.04031	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	289.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80064	2.8
56.96568	21.2
57.73710	2.9
60.05640	12.8
66.38260	2.8
69.03426	6.8
70.06602	40.0
70.28043	9.3
70.99870	5.1
71.06936	15.0
72.08136	8.3
74.06098	3.7
82.99844	17.1
84.08131	17.9
85.02889	8.8
86.09715	15.5
87.10022	4.1
97.01400	9.6
97.02913	4.3
98.97587	30.8
100.02138	2.9
101.00887	82.5
107.04954	5.4
108.39122	2.9
110.97592	6.6
112.08718	7.3
112.99134	3.3
113.00887	16.6
115.02452	30.1
116.07090	4.6
116.98606	7.5
117.07414	4.1
119.01930	100.0
126.98820	3.6
127.02390	3.4
127.03883	6.4
128.98561	3.5
129.00325	4.1
129.04002	7.3
129.10240	7.3
131.00198	3.3
131.01915	23.2
133.03503	31.1
135.06244	3.1
136.06184	4.9
137.02951	6.2
143.01891	31.7
144.99796	3.3
145.03458	12.0
146.99628	3.4
147.05118	5.6
149.02924	4.8
155.01872	5.9
157.03461	7.3
158.99661	8.8
161.02971	58.4
168.99895	14.7
171.01347	15.5
171.05115	3.0
172.94377	7.3
173.02960	17.8
175.00856	3.6
175.11922	12.8
176.12292	6.6
177.00780	3.5
185.03000	5.6
187.00896	29.6
187.04556	12.4
189.02448	15.9
191.03918	16.5
196.99339	6.9
199.00868	19.0
199.04509	5.3
201.02481	8.0
203.03966	3.5
205.01935	9.2
215.00403	27.1
217.01947	28.8
219.01654	5.7
219.03516	11.5
229.01917	10.6
233.01463	4.7
237.02805	4.0
246.97969	6.7
247.02997	29.9
265.03934	6.0
288.20285	7.5
289.03955	9.9
289.07129	30.4
289.20572	34.4
306.85208	2.9
307.05185	11.0
307.08563	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	289.1071
Annotation	Columbianetin acetate
Peak:m/z	Relative Intensity
52.35014	0.3
53.63548	0.3
55.01862	0.5
55.05503	0.4
56.96554	0.4
57.03409	0.4
57.07075	0.8
67.05487	1.1
69.07056	0.6
70.06588	0.9
70.80676	0.3
70.81026	0.7
74.38346	0.3
76.67369	0.3
79.05483	1.2
81.07055	0.8
83.04965	0.8
83.08637	0.4
84.44609	0.3
88.07629	0.7
91.05490	1.1
93.07032	0.9
95.04948	0.4
95.08605	0.5
97.06532	3.0
105.07028	1.3
106.08662	0.4
107.04942	1.1
107.08586	0.7
109.06550	0.5
115.05455	0.9
117.07000	0.5
119.08562	1.1
121.06488	0.8
121.10155	0.6
123.08015	0.4
128.06271	0.5
129.06993	0.7
130.58493	0.3
131.04926	1.0
131.08562	0.4
133.06491	0.5
133.10132	0.4
135.08028	0.8
137.05951	1.5
141.06993	11.5
145.06525	0.4
145.10098	0.4
147.08011	0.4
151.03914	0.4
152.06178	0.6
153.07037	0.7
155.04892	1.0
155.08551	0.3
157.06525	0.8
158.07227	0.6
159.04411	0.7
159.08072	0.6
165.06967	0.5
165.09126	1.3
168.05690	1.5
168.77307	0.4
168.79370	0.3
169.06494	10.8
170.07274	0.9
171.04408	0.4
171.08026	0.4
180.05646	0.3
181.06514	0.7
182.58691	0.3
183.08061	0.7
186.06755	3.3
187.07491	1.9
193.12260	0.9
196.05190	0.8
197.05981	16.3
198.06813	0.7
199.07538	0.7
201.09068	1.1
211.07498	1.7
213.09116	1.3
214.06276	1.3
215.07056	1.5
225.05432	2.9
226.06152	0.8
229.08600	100.0
230.08981	1.3
231.10045	0.3
239.07024	2.2
243.06584	0.6
257.08090	19.3
258.08536	0.7
261.18506	0.3
271.16895	0.4
271.28076	0.4
283.96378	0.4
288.29044	1.1
289.06168	0.7
289.10712	3.7
289.13937	0.7
289.17978	2.9
289.21365	0.7
289.26004	0.6
289.29248	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.9
55.05513	25.1
57.03421	3.9
57.07069	8.9
67.05511	31.1
69.03446	3.4
69.07066	41.4
70.18528	13.2
71.04982	10.9
79.05499	35.7
81.03412	4.1
81.06594	6.3
81.07059	97.6
83.04979	15.7
83.08611	17.8
85.06532	9.4
91.05489	28.2
93.07047	100.0
95.04964	31.5
95.08612	80.4
97.06533	21.9
97.10226	6.0
98.20886	4.3
99.04457	9.2
99.08071	3.4
103.05456	3.3
105.07034	47.0
107.04937	8.3
107.08599	62.1
109.06516	21.7
109.10155	38.8
111.08080	21.9
111.11737	4.5
113.06013	3.3
115.05408	3.0
117.07001	8.8
119.08579	38.8
121.06512	56.1
121.10155	31.9
123.08054	8.4
123.11737	30.8
123.19932	3.1
124.44785	2.8
125.05978	10.7
125.09606	6.5
127.07559	4.1
127.11264	3.7
131.08574	10.1
133.10138	33.5
135.08066	11.6
135.11703	17.7
137.05971	7.7
137.09589	7.1
137.13324	8.5
139.07568	12.3
143.07036	5.5
143.08582	8.8
145.10133	18.3
147.08015	4.2
147.11691	45.7
149.09560	3.3
149.13242	21.7
151.11201	11.5
157.06546	3.2
157.08737	7.0
157.10146	10.6
159.06621	6.0
159.08069	4.4
159.11736	14.8
161.13283	18.5
163.11282	3.4
163.14824	6.9
165.12761	11.5
169.12248	9.0
171.11755	8.4
173.13252	10.7
175.11194	22.8
175.14879	3.6
177.12766	3.8
177.16321	5.8
187.14905	4.8
189.12721	13.3
189.16299	6.7
193.12204	21.7
197.05910	3.2
199.11157	18.7
201.16360	5.5
203.17792	4.2
207.13809	11.5
211.07518	3.5
211.13240	21.5
215.17888	7.2
217.12267	53.8
229.08589	9.4
229.14369	7.1
235.13307	50.0
243.10019	4.2
245.22617	4.3
253.14285	20.9
257.08032	4.2
266.26700	3.5
271.09818	3.9
271.24185	13.7
289.05954	7.6
289.10388	6.7
289.18323	5.1
289.21973	6.8
289.25259	68.2
310.52487	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	289.1799
Annotation	Estriol
Peak:m/z	Relative Intensity
53.03949	0.8
55.01881	0.2
55.05509	0.8
57.03431	0.4
57.07067	0.5
60.04532	1.7
61.04876	0.3
67.05507	1.1
69.07071	0.8
70.06593	0.2
70.61853	0.5
71.02942	0.2
71.08612	0.2
77.03927	0.4
79.05485	1.2
81.07062	1.1
83.04951	0.2
83.08643	0.2
85.06554	0.2
91.05484	0.5
93.07038	0.8
95.04961	0.6
95.08607	1.2
97.06540	0.3
97.10171	0.2
99.08123	0.3
105.04508	0.3
105.07035	0.7
107.04955	100.0
107.08610	0.7
108.05305	0.6
109.06518	0.2
109.10158	0.7
111.08073	0.2
117.06994	0.3
119.08598	0.5
121.02885	0.3
121.06511	0.5
121.10143	0.3
123.08076	0.3
123.11670	0.2
129.07156	0.2
131.08568	0.4
133.06520	0.2
133.10229	0.2
135.08069	0.4
137.06073	0.2
137.13269	0.7
145.06499	0.5
145.10133	0.4
147.08043	0.4
148.12047	0.2
149.13257	0.3
157.10127	0.3
159.08058	0.7
161.09671	0.6
161.13228	0.2
163.07567	0.2
165.12762	0.6
167.14362	0.3
173.09622	0.8
177.12735	3.9
181.12317	0.2
183.13800	2.7
187.11226	0.3
187.72774	0.2
201.09152	0.3
213.12698	0.2
215.10638	0.4
215.14301	0.5
229.08461	0.2
243.17459	1.4
253.15872	0.2
259.94525	0.2
271.16934	2.3
271.28259	1.5
289.06241	0.3
289.14636	0.4
289.17984	6.6
289.21448	0.6
289.29233	1.0
292.83289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.50904	2.8
53.03936	6.0
55.05322	2.6
55.05515	26.7
57.07068	5.7
59.04725	3.1
59.05001	54.8
67.05502	14.3
69.07082	13.5
71.05006	3.5
71.48939	3.6
71.57986	2.6
73.06544	3.4
77.43110	2.5
79.05487	12.3
81.03410	2.7
81.07069	14.4
83.04987	4.6
83.08633	4.2
85.06551	95.7
91.05486	17.6
93.07061	24.1
95.04947	5.0
95.08616	24.6
99.08086	17.1
105.07041	17.0
107.04948	3.2
107.08567	14.7
109.10124	8.5
111.08051	5.0
112.26071	2.9
117.07019	7.9
119.08597	24.0
121.10150	8.4
123.08065	3.8
125.09665	20.3
129.07002	5.3
130.07712	3.1
131.08588	22.0
133.10117	18.8
135.08061	4.8
135.11697	4.2
137.09575	4.1
139.11191	3.1
142.07788	8.3
143.08566	10.3
145.10170	17.7
147.08011	8.5
147.11673	11.7
149.09598	3.6
151.11128	3.2
155.08545	7.9
156.09328	4.3
157.10120	32.4
158.10918	9.0
159.08011	4.4
159.11694	15.0
168.09332	5.5
169.10136	10.8
170.10934	3.1
171.11699	12.4
173.09660	3.5
173.13277	30.5
175.11128	4.8
177.12759	5.5
182.10901	4.4
183.11708	37.7
185.09755	2.9
185.13335	4.5
187.14775	3.2
189.12686	4.9
189.58487	2.7
191.14287	5.0
197.13248	15.0
198.14021	3.9
199.14793	10.1
201.12689	10.0
209.13203	4.8
211.14792	5.1
213.16360	4.1
215.14360	5.9
217.15855	6.2
221.29219	3.1
224.15714	5.7
231.17278	3.7
233.15292	4.2
239.17970	21.0
242.66328	3.2
257.19009	11.4
259.16968	5.8
271.20474	13.6
289.18048	18.2
289.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.90253	1.0
53.03941	3.4
55.05263	1.8
55.05508	18.4
55.45801	1.1
57.03443	1.4
57.07080	11.7
57.33653	1.0
65.03945	1.9
67.05506	29.3
69.03421	2.3
69.07072	38.4
69.73838	4.6
70.20065	1.1
71.04990	4.1
71.08633	6.5
79.05070	1.7
79.05502	21.2
81.03411	1.9
81.07060	100.0
83.04970	2.5
83.08621	11.7
85.06544	2.7
85.10177	1.2
91.05478	14.0
93.07050	58.5
93.07638	2.8
95.04964	8.3
95.08612	78.1
97.06533	6.4
97.10175	6.3
98.21477	2.6
99.08063	1.5
100.60847	1.1
105.07039	31.4
107.08597	47.2
109.06494	4.2
109.10162	46.6
111.08067	4.7
111.11712	5.6
117.07011	3.2
119.08587	26.8
121.10146	29.3
123.11707	47.8
125.09618	1.7
127.11180	2.6
131.08577	9.1
133.10135	27.0
135.08128	1.4
135.11696	22.7
137.09631	3.0
137.13271	17.3
139.11180	4.4
145.10147	11.0
147.11710	19.7
149.13266	22.6
151.11159	8.6
151.14798	2.5
153.12807	2.2
159.11710	12.4
161.13264	14.3
163.11169	2.4
163.14816	10.2
165.12772	10.1
173.13225	6.8
175.14833	9.4
177.12820	1.7
177.16449	8.1
177.35274	1.1
179.14319	3.0
187.14839	7.0
189.16367	7.8
191.17989	3.3
193.15869	1.9
201.16341	6.3
203.18007	5.2
207.17509	1.9
215.17961	7.7
219.17528	1.3
229.19537	2.8
231.21082	1.9
233.19014	2.0
245.22668	2.6
271.24237	21.9
277.64420	1.2
289.05969	2.5
289.15332	1.3
289.25269	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20406	7.7
55.01867	7.7
56.05010	10.0
56.96553	25.8
57.03428	26.4
58.06586	14.7
60.04530	38.7
61.02922	19.8
69.03419	34.6
70.06599	63.1
71.47586	7.7
71.47964	11.6
72.08151	40.6
73.02911	23.8
73.04030	7.9
74.06088	72.1
77.11875	7.9
79.63348	8.2
82.99816	7.1
83.06108	9.9
84.04498	28.3
84.08140	25.5
85.02911	45.1
86.06056	28.6
86.09713	100.0
90.05548	15.2
96.04477	17.9
97.02890	30.5
98.97578	62.9
101.00870	41.1
101.76270	7.4
102.00945	40.2
102.05540	17.0
104.02780	6.5
109.02828	10.0
110.01252	8.8
110.97569	16.4
113.07134	19.1
115.02467	9.8
115.08671	10.1
116.02567	13.0
116.07115	43.2
116.87487	7.0
116.98603	17.4
119.01910	58.8
120.02020	65.6
121.01660	8.4
127.03923	19.0
128.02422	10.2
128.10747	12.3
128.98567	12.8
131.00175	7.6
131.01921	13.8
131.08150	39.0
132.01985	12.8
132.10207	38.9
133.03477	17.0
134.03600	13.3
137.01811	9.1
137.02863	8.0
138.03079	12.4
140.69759	8.3
143.01828	10.7
144.02092	25.6
146.02248	18.5
146.03506	8.1
146.99637	15.8
155.02808	23.0
155.08138	18.1
158.99664	23.1
159.07645	46.1
161.02951	32.2
162.03084	55.8
169.99945	10.5
170.03342	11.3
172.01558	11.6
173.03020	9.6
173.09155	19.0
173.12831	29.0
174.98787	8.1
175.11925	10.5
177.00714	10.3
177.04169	18.7
182.99715	9.8
186.04671	19.4
186.54860	23.5
186.59386	8.0
188.00987	21.6
189.00658	15.4
189.02377	11.2
190.02612	9.6
191.02303	13.8
191.03873	65.1
200.01054	10.2
200.04411	73.2
209.04893	9.6
216.00648	29.1
218.02196	10.1
219.01685	13.7
219.13513	18.4
230.02161	10.1
238.10602	8.9
248.03125	23.6
272.16193	10.2
290.06451	15.4
290.14536	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	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.7
56.41758	5.2
57.03445	4.9
69.78724	21.7
69.79134	9.4
70.06612	6.3
72.08147	18.4
73.02908	23.0
85.02904	13.4
86.09718	14.8
97.02880	10.4
98.97602	37.5
101.00800	8.0
110.01317	18.2
110.97610	14.0
119.01828	21.6
125.01776	6.5
127.03897	10.3
128.10715	9.2
128.98601	8.7
131.01874	5.9
137.01810	6.9
140.02342	5.7
146.02347	16.0
152.02310	6.1
155.02827	16.2
158.99654	14.9
161.02850	7.4
170.03391	18.9
170.99544	9.6
173.02815	5.7
182.03340	12.1
191.03894	52.3
191.54005	7.3
200.04424	100.0
200.54602	6.4
201.00755	8.0
219.01750	9.1
227.77190	4.9
230.93312	5.4
290.06232	36.0
291.08194	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70396	12.5
56.96556	17.2
59.86219	11.3
64.82719	11.3
65.46540	11.2
69.80678	77.0
69.81004	13.0
81.85439	10.7
98.20901	18.8
98.97588	16.2
123.43232	12.6
139.61406	14.6
176.65842	13.1
191.53998	14.6
211.08347	13.9
265.82159	11.7
291.08188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39617	3.1
56.96574	22.7
57.13446	3.1
60.27550	3.1
69.44547	19.0
69.70798	2.6
78.74146	3.0
84.08144	3.4
84.96036	8.0
86.04325	3.5
86.09642	4.1
98.97586	100.0
107.04943	4.0
110.97582	17.9
116.98640	17.7
121.01596	2.9
124.99075	6.1
128.98601	5.7
130.75290	3.0
143.00136	8.3
158.99673	27.4
170.99657	3.8
177.00699	12.2
189.04245	5.3
205.00067	3.6
219.01799	13.0
237.02876	11.0
291.08325	31.1
309.08417	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	291.1016
Annotation	Aurin
Peak:m/z	Relative Intensity
51.21656	0.3
55.01867	0.9
55.05503	0.8
57.03423	0.4
57.07066	1.1
67.05500	0.7
68.99812	0.3
69.03425	0.8
69.07072	0.4
70.06565	0.3
70.43152	0.3
71.04954	0.3
71.48540	0.4
72.20400	0.3
72.58975	0.3
73.02905	0.7
79.05492	0.5
81.03408	0.9
81.07043	1.4
85.02884	0.8
85.06537	1.9
91.05500	1.7
93.07049	1.6
95.04971	0.8
95.08604	0.8
97.06550	0.5
101.02347	0.7
103.05435	0.9
105.07032	1.1
107.04960	1.6
107.08567	0.9
109.06520	0.4
109.10155	0.8
111.08086	0.5
115.05472	0.6
117.07034	0.4
119.03413	0.4
119.04913	0.9
119.08588	0.7
121.06496	0.7
121.10144	1.1
125.02361	0.5
129.07030	0.7
131.04932	1.9
131.08595	0.5
133.06471	0.6
133.10133	0.5
135.08054	0.5
137.05981	0.4
138.09148	0.5
141.06984	0.5
145.06496	0.6
145.08577	0.4
145.10173	0.6
147.04387	3.6
147.08090	0.3
149.05960	3.4
155.04973	0.5
157.06491	1.5
157.10139	0.4
159.08102	0.5
159.11771	0.4
160.05191	0.6
161.04500	0.6
161.06009	0.4
165.06996	1.3
167.27592	0.4
169.06451	0.8
171.04410	0.5
173.05956	0.6
175.03946	0.6
175.07617	0.4
175.11285	0.4
177.05504	4.5
177.06961	0.6
178.07768	0.4
178.09831	0.4
179.08640	0.6
181.06436	0.4
184.05119	0.5
185.05934	0.6
189.05441	0.8
189.07014	0.9
190.07765	0.7
191.08560	6.0
192.09357	2.8
199.07588	0.6
202.06226	1.2
202.07780	19.5
203.08563	22.1
204.09334	1.4
205.06520	3.9
205.10013	0.4
206.07266	0.8
207.06432	0.7
207.08139	0.7
213.07109	0.8
214.07935	0.5
215.06944	1.1
215.08759	1.6
215.14436	0.4
217.08400	0.6
217.10260	0.7
218.07304	0.7
219.08047	11.1
220.08836	9.3
220.10995	0.4
220.44624	0.3
221.09619	0.4
222.06746	0.7
229.06490	0.7
230.05504	0.4
230.07324	4.1
231.08076	35.6
232.08821	7.4
233.05901	0.8
233.09633	1.0
234.06773	0.7
235.07622	0.7
235.11220	1.6
242.07298	0.8
243.08015	1.2
245.07954	8.8
246.06874	0.4
247.07564	7.7
248.08334	24.2
249.08936	0.9
258.06769	3.0
259.07553	30.2
260.08328	20.6
261.05579	0.4
261.09024	1.2
262.09900	2.0
263.07639	0.6
263.10693	11.4
273.07477	9.7
273.11853	0.5
273.18469	0.5
274.10101	0.5
275.06998	4.1
276.07819	17.8
277.08432	1.0
291.10162	100.0
291.19476	1.6
292.10629	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	291.1018
Annotation	Aurin
Peak:m/z	Relative Intensity
53.03923	0.4
55.01869	0.6
55.05307	0.3
55.05511	3.5
57.07080	2.0
58.76849	0.4
67.05509	4.7
67.13654	0.4
69.07070	7.1
69.08125	0.4
70.97325	0.9
71.04993	0.8
74.86805	0.4
76.19647	0.3
79.05493	2.7
81.03429	0.5
81.06594	0.7
81.07060	13.5
83.04988	0.6
83.08627	2.6
85.06532	1.1
91.05479	1.6
93.07048	4.5
95.04965	0.7
95.08611	11.9
97.06516	1.0
97.10150	1.4
97.24622	0.4
105.07040	2.6
107.04955	0.9
107.08593	6.1
107.24413	0.4
109.06547	0.8
109.10165	6.9
111.08075	1.5
111.11736	1.4
115.05457	0.6
117.07056	0.6
119.04928	0.5
119.08578	2.2
121.06490	0.4
121.10143	3.5
122.89211	0.4
123.11720	6.1
125.09628	0.5
131.08557	0.7
133.10135	1.0
135.04437	0.4
135.08041	0.5
135.11691	3.0
137.09639	0.5
137.13264	3.0
139.11192	0.8
145.10083	0.7
147.04401	0.7
147.11694	0.7
149.13280	2.9
151.11188	0.4
151.14796	0.9
153.07033	0.4
153.12694	0.5
161.13286	0.6
163.14891	1.9
165.07056	0.9
167.14359	0.9
169.06485	0.5
175.14890	0.6
177.16379	0.6
178.07787	1.2
179.08492	0.5
189.07030	1.2
189.16409	0.9
190.07742	1.2
191.08556	5.5
191.17998	0.6
192.09369	2.9
202.07787	21.7
203.08562	28.2
203.17973	0.8
204.09290	2.2
205.06485	3.6
205.10097	1.4
206.07198	0.6
213.06993	1.8
215.08632	1.8
217.10080	0.4
217.19514	0.5
218.07257	1.2
219.08060	12.6
220.08842	9.8
221.05820	0.4
221.09352	0.5
222.06645	0.6
229.06471	0.9
230.07231	4.1
231.08067	39.6
232.08820	7.6
233.06009	1.0
233.09665	1.0
234.06729	0.9
235.07587	0.9
235.11220	1.7
241.06631	0.4
242.07236	0.9
243.08000	0.8
245.09674	1.3
247.07527	8.4
248.08327	23.2
249.09013	1.2
258.06763	3.3
259.07550	29.7
260.08313	24.9
261.09073	1.3
262.09961	1.4
263.10690	12.7
273.09305	0.9
273.18719	0.6
273.25739	1.5
275.07037	4.4
276.07816	17.5
277.08502	1.9
291.10156	100.0
291.19565	1.8
291.26767	6.1
292.10541	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	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	3.1
55.05518	5.1
57.03440	1.2
57.07064	1.8
58.06613	0.5
65.03941	0.5
67.05193	0.5
67.05510	8.9
69.03417	1.5
69.07063	5.3
69.28430	3.1
70.06598	3.2
71.04996	1.9
71.06916	1.1
79.05077	0.7
79.05495	9.3
81.03411	2.0
81.07060	14.1
83.04986	2.6
83.08629	3.0
85.06549	1.3
88.07636	3.9
89.07886	1.0
91.05489	6.9
93.06494	0.6
93.07045	9.0
95.04966	5.1
95.08070	0.7
95.08621	9.0
97.06525	1.9
97.10175	2.1
98.97568	0.4
99.04452	1.0
102.09200	2.7
103.09507	0.8
105.03437	0.6
105.07034	5.9
106.21603	0.4
107.04958	8.1
107.08604	5.8
109.06519	4.2
109.10159	4.4
111.04424	1.1
111.08081	0.8
115.05477	1.0
117.07040	3.6
119.04932	1.1
119.08579	6.1
121.06506	3.0
121.10137	3.7
123.08099	3.9
123.11699	1.7
125.06094	0.5
125.09612	1.7
127.03910	0.4
128.06215	2.0
129.07024	2.7
131.04926	1.8
131.08580	3.6
133.06511	3.5
133.10121	2.4
135.08047	4.4
135.11694	1.9
137.06000	0.7
137.09544	0.8
137.13277	0.8
139.11198	0.8
141.06985	1.1
143.08531	2.9
145.06531	0.5
145.10132	3.8
147.04506	2.1
147.08043	4.0
147.11635	1.3
149.09656	3.5
149.13242	1.0
152.06197	0.5
153.07011	3.8
155.08600	2.1
157.06500	9.4
157.10139	1.7
159.08009	0.6
159.11665	1.2
161.06024	0.8
161.09665	2.5
161.13338	0.8
163.11172	1.6
163.14844	0.9
165.07030	5.6
165.09128	1.0
167.04916	0.8
167.08592	0.6
169.06485	0.8
170.07338	0.9
171.08063	6.8
171.11617	0.7
172.08879	0.5
173.09607	0.8
175.11247	1.3
175.14861	0.5
181.06465	5.9
182.07272	1.6
183.08061	12.2
184.05243	0.7
185.05974	6.6
185.09642	2.9
185.13210	0.8
189.09135	0.6
189.11221	0.7
193.07550	0.7
198.06760	0.8
199.07547	11.0
200.08244	1.9
202.07843	0.8
203.08667	0.9
203.10619	1.3
210.06757	0.7
213.09093	3.4
214.09918	0.9
215.10680	100.0
216.11031	1.6
217.08569	3.2
217.15862	1.0
223.13373	0.5
226.06158	0.7
227.07060	0.9
227.17947	0.5
228.23218	2.7
229.23564	7.7
231.08081	1.2
231.10226	2.6
231.17389	0.5
241.08627	2.0
245.19095	0.9
248.08369	1.3
249.14809	1.2
255.17496	0.9
259.09702	26.5
260.08279	1.0
273.18546	7.1
273.25912	1.5
290.26910	1.7
291.10086	3.9
291.12997	0.6
291.19577	18.6
291.27188	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.43205	1.4
51.08331	1.5
53.03920	1.9
55.01864	6.0
55.05518	16.4
57.03429	6.2
57.07066	5.7
59.04988	2.6
61.56104	1.5
65.03909	1.6
67.05505	20.6
69.03414	5.2
69.07065	18.3
70.06603	2.6
70.86853	4.0
71.04986	5.3
71.08614	3.1
79.05154	1.5
79.05502	18.1
80.32932	1.7
81.03419	4.0
81.06593	2.2
81.07058	34.5
81.08955	1.9
83.04958	4.4
83.08630	7.8
85.06541	4.0
88.07621	4.7
88.60079	1.8
91.05479	18.7
93.07043	26.3
93.69182	2.0
95.04968	8.6
95.08068	2.5
95.08616	32.0
96.22582	1.8
97.06525	6.3
97.10145	3.6
103.05463	2.4
105.07027	23.6
107.04957	10.9
107.08608	22.0
109.06529	18.3
109.10168	15.1
111.08086	29.2
113.05987	1.9
117.07019	8.0
119.08590	19.2
121.06517	7.9
121.10138	14.8
123.08068	40.5
123.11713	8.9
125.09612	3.7
128.06255	2.3
129.06982	4.8
131.04913	6.9
131.08565	11.1
133.06473	4.0
133.10124	13.2
135.08052	16.2
135.11711	6.8
137.09622	6.7
137.13321	2.1
141.07097	1.7
143.08606	3.7
145.08986	2.3
145.10085	16.0
147.08069	8.8
147.11723	10.8
149.05963	6.9
149.09586	8.0
149.13274	5.9
151.07544	100.0
156.09337	2.8
157.10129	7.0
159.08101	2.4
159.11720	5.9
161.09619	7.1
161.13251	4.0
163.07622	1.7
163.11192	6.3
163.14830	4.8
165.12837	1.8
171.11726	4.8
173.09627	3.1
173.13289	4.5
174.10396	2.0
175.11223	5.7
175.14801	2.3
177.09023	2.1
177.12766	4.0
179.10667	5.2
185.13223	2.4
187.11212	3.6
189.12753	29.1
189.16382	2.1
191.10699	2.9
191.14346	5.9
191.17967	1.9
192.11449	4.1
197.07309	2.0
197.11710	12.0
197.13298	2.1
203.14380	1.8
207.08257	1.8
207.13806	68.9
213.16307	2.6
215.14337	5.4
217.12254	3.6
217.15843	2.4
217.19530	3.4
228.23309	2.1
229.23555	10.2
231.17439	3.7
233.15358	16.3
245.18930	2.1
248.08456	1.9
249.18446	2.6
255.17525	4.6
273.18484	14.6
273.25888	5.9
277.14679	1.8
279.44238	1.5
287.76590	1.7
291.10187	4.7
291.19559	61.0
291.27020	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	3.9
55.01875	13.1
55.05272	1.5
55.05517	25.7
57.03446	6.5
57.07066	2.0
65.03930	2.5
65.95187	1.1
67.05509	27.5
69.03419	4.4
69.07069	16.0
70.06582	4.1
70.92522	2.1
71.04982	3.3
71.06917	1.0
79.05498	41.2
80.73367	1.2
81.03431	7.4
81.07062	63.2
83.04976	6.4
83.08628	8.4
85.06521	2.2
88.07651	5.0
89.07940	1.9
91.05484	30.5
93.07047	29.0
95.04970	24.6
95.08609	20.1
97.06532	5.4
97.10181	8.9
99.08133	1.3
102.09175	4.0
103.05476	2.7
103.09517	1.6
105.03458	1.5
105.04482	1.3
105.07040	26.2
107.04957	12.5
107.08601	19.2
109.06522	14.2
109.10167	10.2
111.04456	1.8
111.08084	3.2
115.05463	2.8
116.06245	1.4
117.07015	17.1
119.04907	2.6
119.08590	28.9
121.06521	16.4
121.10144	9.4
123.04415	2.0
123.08078	15.6
123.11659	2.1
125.09626	8.4
128.06242	1.7
129.07022	8.1
130.07790	2.1
131.08582	14.6
133.06493	6.4
133.10156	7.3
134.07341	1.7
135.08061	12.9
135.11670	6.2
137.09639	6.2
142.07846	1.7
143.08566	7.6
145.10118	16.3
147.08069	18.4
147.11684	4.8
149.09642	13.3
149.13269	1.2
151.07584	2.0
151.11205	2.4
153.09134	5.1
157.10136	7.2
159.08044	2.2
159.11707	5.5
161.09631	9.0
161.13258	1.2
163.11179	14.1
165.09094	7.7
171.10222	1.3
171.11687	3.9
173.09639	1.8
173.13211	1.7
175.11197	5.0
181.10112	1.7
185.09592	1.7
185.13310	2.0
187.11238	1.9
189.11250	4.0
189.12822	1.8
193.12238	3.9
199.11183	2.2
199.14885	1.3
205.12148	1.5
213.12877	1.2
217.15918	2.6
221.11441	1.1
223.13257	5.6
227.17969	3.4
229.23607	11.9
231.13922	1.5
237.16415	2.6
245.19017	4.1
249.14954	8.1
255.17474	6.9
273.18500	38.2
273.26254	1.3
291.19574	100.0
291.27142	32.3
292.19952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.01873	4.0
55.05516	15.7
57.03424	2.1
57.07072	1.0
59.04997	1.0
65.03957	1.0
67.05505	16.2
69.03424	2.2
69.07069	10.4
70.06569	0.8
70.49646	0.8
70.60457	1.8
71.04989	1.9
79.05498	21.8
81.03413	1.3
81.06598	1.3
81.07060	26.2
83.04974	2.4
83.08624	7.5
85.06538	1.3
91.05483	22.9
93.06493	1.3
93.07052	19.9
94.04191	0.8
95.04972	5.4
95.08612	12.4
97.06524	2.6
97.10162	5.4
103.05437	0.9
105.07034	17.5
107.04970	6.3
107.08601	9.9
109.06532	3.8
109.10187	5.0
111.08091	3.0
115.05440	1.9
116.06241	1.5
117.07016	11.9
119.04935	2.5
119.08594	14.3
121.06527	5.2
121.10157	6.4
123.08068	2.5
123.11729	2.9
125.09623	3.3
128.06194	1.0
129.07007	4.9
130.07784	2.0
131.08574	12.0
133.06511	4.2
133.10158	5.7
134.07278	1.1
135.02136	0.9
135.08047	6.4
135.11691	3.0
137.09673	1.3
137.13318	0.9
142.07742	0.8
143.08568	7.9
145.06522	1.0
145.10126	13.4
147.08047	6.0
147.11687	2.8
149.09612	4.5
149.13283	1.4
151.07603	1.1
153.12817	0.9
156.09325	0.8
157.10101	4.4
159.08041	1.1
159.11749	3.8
161.09657	4.1
161.13315	1.1
162.10378	0.8
163.11211	1.9
163.14824	0.9
169.10223	1.2
171.11690	2.6
175.11188	2.6
175.14755	1.0
183.11696	0.9
185.13283	1.2
189.11221	1.2
189.12776	1.9
195.11719	1.0
207.13692	1.0
213.12781	0.9
217.15939	1.6
223.13249	1.4
227.17992	1.3
233.15361	1.4
242.18861	0.9
245.19040	2.0
249.14870	3.3
255.17538	2.0
260.08249	1.1
266.95773	0.9
273.18472	11.9
273.25815	1.4
291.10239	3.5
291.19559	100.0
291.26727	3.4
292.19821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.37476	0.5
53.03949	1.2
55.01877	3.4
55.05513	12.3
57.03428	0.9
67.05504	8.1
69.03413	1.5
69.07069	4.7
70.21233	2.4
71.04983	1.4
77.03951	0.6
79.05495	12.0
81.03416	1.7
81.07059	10.7
83.04967	2.0
83.08619	4.5
85.06533	0.8
91.04919	0.7
91.05482	9.8
93.07043	7.5
95.04979	5.6
95.08621	4.1
97.06518	0.9
97.10171	4.8
98.21468	0.8
100.54021	0.6
105.07021	8.7
107.04958	3.8
107.08591	4.2
108.05751	1.1
109.06499	1.4
109.10154	1.9
115.05432	1.3
116.06258	1.1
117.07023	4.5
119.04939	1.9
119.08575	7.8
120.05746	0.6
121.06521	3.2
121.10168	2.1
123.08066	2.9
123.11705	0.6
125.09624	3.0
126.27684	0.5
128.06242	0.8
129.06982	2.2
130.07771	1.0
131.08559	5.6
133.06480	3.5
133.10156	2.1
134.07265	1.4
135.08043	2.2
137.09637	1.1
137.64177	0.6
138.18779	0.5
143.08540	2.3
145.10141	4.7
147.08044	5.9
147.11736	1.1
149.09564	1.3
157.10112	1.5
159.08037	0.6
159.11661	1.4
161.09645	2.3
162.10397	1.5
163.11250	1.3
165.09128	1.0
171.11652	0.9
175.11263	1.3
177.09058	0.8
189.11237	1.7
189.12752	0.5
217.15993	0.6
223.13318	2.4
245.18913	0.9
249.14815	3.1
255.17325	1.0
261.14792	0.7
273.18488	8.8
291.10254	1.8
291.19547	100.0
292.19958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.97070	1.2
53.03933	6.0
55.01873	16.6
55.05513	32.2
57.03418	2.7
65.03931	4.4
67.05186	2.3
67.05508	31.6
69.03431	6.8
69.07075	9.9
71.04984	1.9
71.40697	2.3
79.05496	65.3
81.03411	4.8
81.07059	69.3
83.04974	6.2
83.08612	13.2
85.06525	2.0
91.05483	43.7
93.07044	31.6
95.04972	22.7
95.08612	20.8
97.06537	3.2
97.10173	14.6
103.05456	1.8
103.28912	1.3
105.03391	5.3
105.04500	2.1
105.07036	31.1
107.04958	14.9
107.08597	25.2
109.06521	9.0
109.10159	12.4
111.04450	2.4
111.08118	2.9
112.62707	1.4
114.15662	1.4
114.55551	1.3
115.05441	5.3
116.06210	3.0
117.06238	2.3
117.07024	34.2
119.04932	5.5
119.08584	59.4
121.06511	21.6
121.10153	12.3
123.08045	7.6
123.11681	1.8
125.09634	12.6
128.06200	4.6
129.06995	12.3
130.07777	3.8
131.08578	15.8
133.06491	10.1
133.10114	7.3
135.08069	13.7
135.11685	5.1
137.09674	3.8
142.07840	1.7
143.08585	9.7
145.06491	2.1
145.10132	26.2
147.08055	31.6
147.11696	2.9
149.09641	9.8
153.09109	3.3
155.08458	1.5
157.10083	9.7
159.08040	4.8
159.11708	7.0
161.09619	8.9
163.11192	9.1
165.09114	4.6
167.08517	1.5
171.11694	3.9
173.13249	1.7
175.11197	3.8
177.12778	1.6
185.09589	1.8
185.13264	4.2
189.11208	6.9
189.12822	1.5
197.13062	1.6
199.11214	2.2
199.67363	1.4
205.12169	1.4
213.12778	2.4
223.13264	4.0
225.04298	1.9
227.02255	1.8
227.17882	3.5
231.13704	2.0
237.16441	2.3
245.19005	4.2
249.14864	16.7
255.17465	7.7
273.18500	41.9
278.49146	1.6
279.00885	1.4
291.19540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03944	3.4
55.01870	3.0
55.05515	26.0
57.03440	3.4
57.07085	13.3
59.04986	3.4
65.03932	2.1
67.05507	35.8
69.03420	7.1
69.07071	92.2
69.65098	3.3
69.65516	5.7
71.04993	3.8
71.08620	6.3
73.06541	1.7
79.05490	18.7
81.03423	9.9
81.07059	100.0
83.04943	2.1
83.08626	26.9
84.68470	1.5
85.06561	7.7
87.98954	1.8
91.05483	10.8
93.07050	39.5
95.04973	4.6
95.08612	84.3
97.06533	10.3
97.10167	11.2
99.08104	4.3
105.07022	16.7
107.05009	2.5
107.07880	3.0
107.08600	47.7
109.02880	4.5
109.06549	5.3
109.10167	54.1
111.08093	10.8
111.11727	15.8
119.04957	5.0
119.08576	13.3
121.06425	1.6
121.10161	29.2
123.08035	2.4
123.11722	40.1
123.12601	3.0
125.09647	5.9
126.38015	1.5
131.08568	3.2
133.10138	9.7
135.07990	1.9
135.11717	26.3
137.13260	19.0
139.11188	11.8
147.04427	18.8
147.11740	10.0
149.13263	22.0
151.11208	3.3
151.14807	2.6
153.12759	8.4
161.06004	4.0
161.13239	8.9
163.14821	13.4
165.12721	4.5
167.14325	2.6
175.14813	2.0
177.16380	6.9
178.04984	3.6
181.15854	2.0
185.13184	1.7
189.16422	4.3
191.17950	3.7
202.07730	1.5
203.17986	4.3
205.19527	3.1
212.07036	2.7
217.19531	6.6
231.06291	9.8
231.08479	3.0
235.20529	3.1
247.24158	2.1
256.09680	4.6
259.07458	2.7
260.08167	2.5
263.10629	1.8
273.18622	2.5
273.25797	11.6
291.10620	9.4
291.19632	6.0
291.26822	56.9
292.27277	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	292.085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24504	0.5
50.46652	0.4
53.51306	0.5
55.01877	0.8
55.05517	0.6
56.05035	0.9
57.03426	1.2
60.04517	1.3
60.15586	0.5
61.02937	3.0
69.03435	5.4
69.98476	2.3
70.06594	6.7
70.99210	1.0
70.99582	12.8
71.04986	0.5
72.08143	1.5
73.02915	1.1
81.03414	2.1
84.04507	1.1
84.08150	6.9
85.02909	15.0
86.09718	1.9
86.85219	0.5
91.03964	0.9
91.05495	1.0
93.07079	0.6
97.02901	4.8
99.04459	0.7
101.02512	0.5
107.04963	2.9
109.02872	2.3
110.07166	0.8
112.02196	89.0
113.02544	0.7
115.47960	0.5
118.06899	1.4
119.04944	0.8
119.08568	0.6
120.08083	1.0
122.02729	1.4
123.04430	0.6
127.03914	3.3
129.10252	2.4
130.03232	100.0
131.03575	0.6
132.08018	0.7
136.07582	0.7
145.04988	3.3
146.06023	1.8
147.04427	2.9
148.04756	1.5
154.08594	2.3
159.59160	0.5
186.11269	1.4
188.07047	3.1
197.55969	0.5
200.12489	0.6
205.09752	1.2
228.12170	0.9
235.72855	0.5
248.09158	0.6
252.85417	0.5
274.12686	1.2
292.08347	2.1
292.13559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74438	2.2
70.97630	5.7
93.71493	2.0
128.19597	2.2
152.59315	2.4
153.16304	2.2
181.78851	2.2
201.28659	2.1
208.53378	2.1
238.42215	2.1
293.06351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01870	0.7
55.05505	1.2
57.03424	0.5
61.02923	0.9
67.05515	1.7
69.03429	3.2
69.07071	2.4
70.06590	0.6
70.63309	0.3
71.04996	1.1
71.07209	0.3
71.48606	0.5
79.05485	0.9
81.03414	0.8
81.07061	3.5
83.04972	0.6
84.08146	1.0
85.02898	0.7
85.06535	0.6
91.05489	1.4
93.07068	1.6
95.04972	0.8
95.08628	2.0
97.02900	1.0
97.06570	0.5
99.04456	1.5
102.04623	0.4
103.05472	30.8
105.07040	1.4
107.04974	1.2
107.08585	1.5
109.02866	0.7
109.06524	0.4
109.10171	2.2
113.05978	0.4
119.08581	1.3
121.06504	0.3
121.10164	1.6
123.08054	0.5
123.11704	2.6
127.03939	2.3
127.11134	0.3
129.07008	0.6
131.04935	100.0
132.05270	0.7
133.06435	0.3
133.10139	0.4
135.08119	0.4
135.11720	1.1
137.09695	0.7
137.13304	0.4
139.11150	0.6
145.10149	0.7
147.11713	0.6
149.05978	2.1
149.13245	0.7
159.04442	0.7
159.08130	0.4
159.11716	0.4
163.11145	0.5
164.07002	0.4
172.62375	0.3
177.05496	0.7
187.14636	0.4
189.16348	0.6
189.90181	0.3
199.07495	0.4
201.16447	0.3
215.06967	0.5
218.07352	0.5
219.08022	0.4
245.07002	0.3
246.03160	0.3
246.06375	0.3
247.07616	0.6
261.08984	0.4
265.08649	0.6
275.20181	0.9
293.07806	0.5
293.11877	1.6
293.18195	0.6
293.21194	0.8
293.24805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.09645	0.3
55.01876	0.6
55.05502	1.5
55.31187	0.3
57.03428	0.6
58.14910	0.3
61.02918	1.0
64.76586	0.3
67.05500	1.8
69.03435	6.3
69.07063	1.6
69.20296	1.0
69.20695	2.3
71.04989	0.7
77.03914	0.5
79.05497	1.7
81.03422	3.9
81.07062	3.0
83.08620	0.5
84.14368	0.4
85.02910	5.5
91.05486	1.1
93.07053	2.0
95.04993	2.0
95.08633	2.4
95.28224	0.3
97.02903	4.8
97.06515	0.7
97.10177	0.6
98.20802	0.7
99.04453	0.7
103.05470	35.0
104.25370	0.3
105.07024	1.3
107.04961	0.8
107.08589	1.7
109.02882	1.6
109.06485	0.6
109.10166	2.0
116.53564	0.3
117.06996	0.6
119.08562	0.9
121.06514	0.4
121.10155	0.8
123.11698	0.4
127.03928	2.3
131.04933	100.0
132.05276	0.9
133.10126	0.9
135.11769	0.5
145.04984	0.5
145.10162	0.7
149.05989	1.8
149.09564	0.9
157.17535	0.4
159.11784	0.7
163.11276	0.5
187.11385	0.5
216.03502	0.4
239.18004	0.4
247.20599	0.4
275.09158	1.6
275.20081	3.6
288.36884	0.4
293.10272	1.2
293.21100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05508	1.4
57.03431	1.7
57.07068	1.0
59.69825	0.5
67.05495	1.9
69.03432	7.7
69.07065	3.2
70.81947	0.6
70.82265	1.0
71.08654	0.5
76.34351	0.5
77.03896	0.7
79.05499	1.4
81.03418	4.0
81.07056	4.6
83.08612	0.9
85.02909	4.7
85.44056	0.5
93.07048	2.3
95.04957	0.6
95.08616	5.0
97.02895	18.0
97.10165	0.9
99.04427	1.4
103.05466	33.6
105.04495	0.9
105.07020	0.7
107.04948	1.8
107.08581	1.7
109.02891	1.9
109.10132	3.5
121.10149	0.9
123.11697	2.6
123.77744	0.5
127.03923	2.3
129.39442	0.4
131.04929	100.0
132.05238	0.6
135.11688	1.1
137.13292	1.4
147.08023	0.6
149.06012	3.5
149.13278	0.9
151.14807	0.7
153.94618	0.6
275.09225	2.1
275.20200	0.9
293.10324	2.8
293.15283	0.7
293.28363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05493	0.7
57.03430	1.3
61.02929	0.5
64.99193	0.4
67.05492	0.9
69.03085	0.7
69.03432	8.7
69.07063	1.4
70.33122	0.4
71.01337	0.8
71.04973	0.8
71.21144	0.5
71.21474	0.7
77.03919	0.6
78.61658	0.4
79.05521	0.5
81.03414	3.3
81.07079	2.2
82.55107	0.4
83.08629	0.7
85.02910	4.1
93.07072	0.6
94.10751	0.5
95.08588	1.6
97.02897	11.5
99.04449	1.0
101.02389	0.5
103.05471	35.3
107.08554	0.6
109.02894	1.4
109.10178	1.2
119.08531	0.5
127.03950	2.6
131.04932	100.0
145.04973	0.5
149.05995	2.5
149.13318	0.5
199.99976	0.5
235.97409	0.5
275.09219	0.9
291.52249	0.4
293.10345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
57.03428	1.6
62.61934	0.4
69.03086	0.7
69.03433	8.5
69.07051	0.4
71.01357	0.8
71.04984	0.6
77.03934	0.5
81.03423	4.0
81.07046	0.5
85.02902	5.7
90.94285	0.4
95.04958	0.5
95.08678	0.4
96.25167	0.4
97.02898	18.8
98.21506	1.4
99.04472	1.0
101.02348	0.5
103.05472	34.1
109.02900	1.5
127.03939	2.1
131.04938	100.0
132.05283	0.6
149.05975	3.5
253.97333	0.4
275.09229	2.1
293.10248	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03942	1.6
55.01862	0.6
55.05499	1.1
57.03424	0.8
57.20563	0.4
62.79601	0.4
67.05503	1.2
69.03431	5.1
69.07056	1.2
69.93657	2.0
71.05014	0.7
79.05486	1.4
81.03419	4.8
81.07061	2.2
85.02914	3.2
91.05474	1.2
93.07021	1.4
95.05005	0.5
95.08610	1.3
97.02889	2.4
97.06501	0.6
97.10152	0.5
98.20913	0.7
103.05471	40.6
105.07036	0.9
107.04963	0.7
107.08595	1.5
109.02881	2.0
109.10185	0.6
117.07065	0.4
119.08576	0.9
121.10189	0.6
123.92973	0.4
126.21468	0.4
127.03900	2.2
129.07080	0.6
131.04936	100.0
132.05289	1.0
133.10103	0.9
135.11679	0.5
144.36217	0.5
145.10117	0.9
147.11514	0.4
149.06009	3.0
159.11794	0.5
209.81261	0.4
275.09189	2.3
275.20093	3.6
293.21152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03937	1.4
55.05513	0.7
57.03430	0.5
61.02916	0.6
64.72629	0.3
67.05492	1.2
69.03432	4.2
69.07062	0.6
71.05003	0.5
71.42455	0.4
79.05463	0.6
81.03423	7.3
81.07037	1.9
83.08583	0.5
85.02927	3.0
93.07016	0.5
95.04948	0.7
95.08611	1.4
97.02917	2.5
97.10143	0.4
99.04469	0.8
103.05471	33.6
107.04935	1.2
107.08641	0.6
109.02858	3.0
109.10153	1.2
127.03912	1.7
131.04933	100.0
142.09961	0.5
149.05983	2.5
236.87524	0.4
275.09180	4.1
281.32632	0.4
293.10172	0.9
293.15274	0.4
293.28494	0.6
305.67407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05508	1.5
57.03442	1.0
57.07054	0.5
61.02912	0.7
67.05488	1.4
69.03432	7.7
69.07066	1.8
69.80289	2.5
71.05008	0.7
72.29617	0.4
77.03931	0.7
79.05496	1.6
81.03422	3.2
81.07059	3.0
83.08618	0.6
85.02908	3.6
91.05495	1.2
93.07026	2.1
95.04967	0.7
95.08616	3.6
97.02881	3.8
98.20834	0.7
99.04442	0.9
103.05470	39.4
105.04558	0.6
105.07028	0.8
107.08604	1.9
109.02895	0.5
109.06506	0.6
109.10153	2.0
119.08569	0.6
121.10169	1.0
123.11681	0.9
125.80450	0.5
127.03915	3.1
131.04932	100.0
132.05249	0.8
135.11671	0.6
137.13187	0.5
145.10095	0.6
147.11652	0.5
149.05988	1.6
149.09583	0.5
149.13324	0.6
184.92216	0.5
205.28627	0.5
248.63524	0.5
275.08932	0.6
275.20099	1.1
293.10236	0.8
293.21304	0.9
293.24805	0.6
293.28049	0.9
299.14102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01869	0.9
55.05517	2.2
56.96563	0.5
57.03448	1.7
67.05502	3.2
69.03436	7.4
69.07063	2.3
69.22147	2.9
69.72234	0.3
71.01359	0.5
71.04994	0.9
71.30877	0.3
73.02900	0.5
77.03938	0.4
79.05500	3.4
81.03426	5.1
81.07068	6.3
82.78109	0.5
83.08612	1.4
85.02915	4.3
91.05494	2.2
93.07022	2.2
95.04992	1.9
95.08624	2.5
97.02898	11.7
97.06540	0.6
97.10152	0.6
99.04436	0.8
101.02380	0.7
103.05474	33.6
104.05772	0.6
104.34422	0.4
105.07035	2.1
107.04951	1.2
107.08619	1.9
109.02876	2.1
109.06535	1.9
109.10149	1.4
111.08135	0.3
117.07051	0.7
118.30988	0.4
119.08586	1.5
121.06521	0.4
121.10149	0.9
121.35502	0.4
123.08127	0.6
123.11723	0.5
125.09682	0.4
127.03928	1.4
131.04936	100.0
132.05266	0.6
133.10133	1.5
135.11699	0.7
145.10217	0.7
146.16017	0.4
147.11700	1.3
149.01231	0.6
149.05951	3.5
149.09564	1.1
149.13266	0.5
151.11194	0.5
159.11697	0.8
163.11267	0.8
194.79871	0.4
212.10742	0.5
221.11244	0.4
230.09920	0.5
275.09177	2.1
275.20041	3.8
293.10263	1.4
293.13019	2.3
293.21155	2.6
293.28085	0.4
293.63589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.65852	0.2
52.14284	0.3
52.16157	0.3
53.03943	1.5
55.01865	0.5
55.05509	3.4
57.03426	1.1
57.07069	1.8
61.02921	0.4
67.05505	4.9
69.03437	4.7
69.07069	4.9
69.67844	0.4
69.68244	1.0
70.06576	0.4
71.05000	0.8
71.08621	0.5
73.06566	0.4
77.03908	0.6
79.05495	2.2
81.03421	7.8
81.07056	8.5
81.76646	0.2
83.04972	0.5
83.08614	3.2
85.02908	4.0
85.06544	0.3
85.10172	0.4
88.07639	0.5
91.05479	1.2
93.07040	3.2
95.04975	1.2
95.08615	9.4
97.02887	3.4
97.06542	0.7
97.10171	1.6
99.04450	0.7
103.05469	35.5
105.07028	1.1
107.04955	2.6
107.08590	2.7
109.02885	3.3
109.06503	0.4
109.10155	6.9
111.08104	0.5
111.11714	0.5
117.07060	0.4
119.08578	0.7
120.61058	0.2
121.06517	0.4
121.10154	1.7
123.11709	2.7
123.86040	0.2
127.03918	1.8
128.97801	0.2
131.04933	100.0
132.05247	0.5
133.10104	0.3
135.11714	1.2
137.13271	1.2
145.10152	0.8
147.11607	0.5
149.05983	2.9
149.13290	1.4
151.14828	0.8
159.11737	0.3
163.14803	0.8
173.13023	0.3
187.11192	0.6
195.08044	0.4
199.11203	0.3
205.19563	0.3
219.21094	0.3
229.23582	0.5
230.23839	0.6
275.09177	3.5
275.20367	1.3
275.23730	1.1
275.27414	0.7
292.27429	2.1
293.10373	0.8
293.12271	0.3
293.15405	1.1
293.21405	0.3
293.24738	3.1
293.28043	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85088	0.2
53.03941	0.5
55.01872	0.4
55.05512	0.3
57.03428	0.4
61.02662	0.2
61.02935	2.0
67.05506	0.6
69.03431	5.1
69.07075	0.5
69.37576	0.4
69.37978	1.4
70.06563	0.4
71.04993	0.3
71.66325	0.2
77.03915	0.5
79.05492	0.5
81.03393	0.4
81.07049	1.0
85.02907	1.0
85.06533	0.5
86.34105	0.2
88.98622	0.2
91.05458	0.6
93.07060	0.5
95.04975	0.6
95.08598	0.5
97.02882	0.7
97.06513	0.4
97.52316	0.2
99.04437	0.3
102.04720	0.3
103.05471	31.0
104.05785	0.3
105.04558	0.3
105.07019	0.4
107.04951	0.8
107.08610	0.6
109.02884	0.4
109.10150	0.5
115.05414	0.4
119.08630	0.3
121.10165	0.5
123.11717	1.3
127.03926	2.8
129.07007	0.3
130.06516	0.3
131.04933	100.0
132.05273	0.8
149.05968	1.6
177.05457	0.3
187.14516	0.3
204.63727	0.3
207.17363	0.3
275.09177	0.4
293.10278	1.0
293.14932	0.3
293.24728	0.5
310.26111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01854	2.1
55.05500	3.6
56.05020	3.9
56.96564	3.8
57.03426	2.7
57.07059	4.7
58.67799	2.3
62.25216	2.4
67.05512	21.9
69.03411	8.5
70.06588	15.3
71.04987	5.7
71.47668	3.2
72.08162	6.6
73.02943	2.7
74.00818	2.1
74.15759	2.0
81.03419	4.9
81.07051	5.2
83.06114	13.0
84.04509	16.3
84.08142	22.0
85.02912	14.1
85.06539	8.0
86.09669	6.3
91.05496	5.0
93.07054	2.5
95.04976	23.7
97.02898	5.5
98.97566	10.9
98.98236	2.0
99.04419	3.3
103.05478	12.7
104.05281	3.2
107.04958	40.6
107.27302	3.0
108.05308	3.0
109.02823	2.8
110.07134	5.8
113.06009	100.0
113.99632	2.5
116.72338	2.7
119.04935	3.8
120.08105	28.0
127.03947	3.2
127.12323	2.7
129.10231	3.1
131.04927	39.7
131.05928	3.0
131.06117	3.8
131.07028	41.8
132.95886	2.2
135.04456	3.0
136.07538	5.9
147.04408	17.8
161.07091	3.0
166.08662	6.6
178.77139	2.4
187.14398	3.6
205.06810	2.6
231.11348	5.6
275.13962	3.7
276.13263	9.4
277.11810	3.0
293.11243	10.8
293.14935	7.6
293.18475	3.2
297.28525	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	10.6
53.60794	1.7
54.66034	1.9
55.01878	11.2
55.05514	31.3
57.03421	6.6
57.07079	9.8
58.02961	3.8
67.05508	47.0
69.03421	6.1
69.07065	31.1
71.04988	3.8
71.08637	2.0
71.48728	2.5
72.11691	2.0
76.33593	1.9
79.05075	3.6
79.05493	45.8
81.03415	12.4
81.07057	100.0
83.04980	10.4
83.08620	21.1
85.06527	3.8
91.05474	36.9
93.07043	36.3
95.04977	22.7
95.08615	27.7
97.02837	2.7
97.06526	12.0
97.10179	11.5
103.05463	13.2
105.04523	2.0
105.07038	31.6
107.04947	12.6
107.08603	26.4
109.06522	39.7
109.10146	14.1
111.08070	5.8
117.07020	12.9
119.08578	30.6
121.06519	6.7
121.10133	19.6
121.67745	2.0
123.08067	12.5
123.11687	6.8
125.09592	6.2
127.03928	1.9
129.07025	3.6
131.04927	28.0
131.08554	12.1
133.10139	20.3
135.08064	4.7
135.11678	8.8
137.09616	9.8
143.08540	4.4
145.10115	15.1
147.08014	2.7
147.11688	13.6
149.09628	12.9
149.13258	7.4
151.11168	5.9
153.05565	2.0
155.08617	3.4
157.10146	3.1
159.11676	7.0
161.13235	6.4
163.11165	10.8
163.14778	2.8
165.12695	5.4
169.10204	2.7
171.11674	2.9
173.09695	2.9
173.13254	5.6
183.11792	2.4
191.10687	2.6
191.14227	3.3
193.12273	3.3
197.13310	2.7
209.11707	4.6
219.13959	2.7
219.17493	3.9
223.13091	2.1
229.19655	2.8
237.11203	7.7
239.18001	2.5
247.20552	6.3
257.18933	7.7
275.20093	58.8
293.07736	10.4
293.21164	44.2
293.28354	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03959	4.7
55.01875	6.8
55.05516	16.4
57.03434	1.9
57.07070	3.3
59.04987	1.0
65.03946	0.9
67.05511	27.4
69.03433	8.9
69.07069	14.8
70.39527	3.0
71.04987	3.0
71.08633	1.8
77.03915	0.9
77.06475	0.8
79.05494	23.3
81.03424	6.1
81.07062	43.2
83.05008	5.3
83.08624	9.4
85.02892	3.3
85.06537	1.0
91.05485	16.9
93.07047	20.1
95.04970	8.7
95.08614	21.6
97.02902	5.6
97.06544	8.7
97.10194	8.4
99.04461	1.2
99.08062	1.2
103.05469	34.4
103.06157	1.9
105.07043	18.3
107.04953	9.2
107.08595	22.6
107.73200	0.8
109.02890	1.1
109.06518	8.9
109.10159	13.8
111.08100	1.6
111.11688	1.1
115.87108	0.9
117.06996	6.1
119.07811	1.2
119.08588	13.6
121.06499	2.4
121.10144	9.4
123.08086	4.1
123.11697	6.6
125.09624	6.9
127.03912	3.4
129.07013	1.7
131.04933	100.0
131.08569	8.7
133.06538	1.2
133.10136	13.1
135.08069	3.8
135.09152	0.8
135.11681	6.1
137.09595	3.8
137.13251	2.5
139.11230	1.1
143.08502	1.0
145.06416	1.0
145.10124	8.3
147.11693	7.1
149.05977	2.3
149.09622	8.3
149.13277	3.4
151.11205	4.7
153.12781	1.4
156.85489	0.8
157.10120	1.6
159.11674	7.3
161.09662	1.5
161.13310	2.9
163.11189	4.6
165.09116	3.9
165.12724	1.8
167.10640	1.0
169.10123	1.8
171.11717	1.4
173.09567	1.1
173.13257	3.2
175.11189	2.8
177.12752	2.4
179.14285	0.9
187.11206	1.8
189.11220	2.7
189.12848	1.7
191.14299	1.7
197.13194	1.5
201.12738	0.9
223.13239	1.2
224.22368	0.8
229.19556	2.1
233.15536	0.9
233.19012	0.9
237.14821	1.2
239.17969	3.1
247.20607	3.9
257.19058	6.3
275.09247	1.7
275.20087	53.9
293.11044	1.6
293.15353	1.8
293.21167	16.3
293.24463	1.8
293.28329	2.6
313.94418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	3.4
55.01879	5.7
55.05284	1.2
55.05517	17.2
56.79494	0.9
56.96564	1.1
57.03426	2.4
57.07067	2.5
61.02917	1.0
67.05506	32.2
69.03430	5.9
69.07069	22.4
70.61420	2.1
71.04984	3.2
72.96590	0.8
79.05495	28.1
81.03413	3.4
81.07056	40.2
81.37743	1.0
83.04991	9.9
83.08617	6.8
85.02860	1.8
85.06536	2.0
91.05486	24.8
93.06485	2.0
93.07046	28.9
93.07635	1.6
95.04982	9.5
95.08603	21.8
97.02872	3.3
97.06532	7.7
97.10160	6.3
99.08031	1.2
100.09366	1.1
103.05475	13.7
105.07031	28.1
107.04964	9.5
107.08595	27.9
108.82784	1.1
109.02917	1.2
109.06521	11.0
109.10162	14.0
111.08073	3.6
117.07011	6.9
119.08577	15.0
121.06490	10.1
121.10131	11.5
123.08067	6.9
123.11694	4.2
125.09600	2.5
129.07001	1.7
131.04935	38.4
131.08566	15.2
133.06505	1.9
133.10130	19.3
135.08061	6.7
135.11702	5.9
137.09615	2.3
137.13264	1.1
143.08569	3.2
145.06412	2.3
145.10120	13.7
147.08023	3.2
147.11685	13.9
149.05949	1.5
149.09605	9.2
149.13264	2.3
151.11200	8.1
155.08464	1.5
157.10135	2.6
159.11682	8.4
160.97482	1.2
161.09622	3.2
161.13295	3.4
163.11157	6.4
163.14813	1.6
165.09114	1.5
165.12772	1.3
169.10077	1.4
171.11696	1.6
173.09605	1.9
173.13295	5.8
175.11177	3.1
175.14662	1.1
177.12743	3.4
183.11662	2.1
185.13254	1.7
187.11203	2.4
189.11253	2.7
189.12726	1.7
191.14302	2.9
195.13953	1.3
197.13255	2.5
201.12740	2.8
207.13815	2.6
215.14426	1.7
219.13803	4.3
229.19543	3.0
231.17584	1.1
233.15280	1.1
233.19130	1.3
239.17981	4.0
247.20694	4.9
257.19058	15.5
270.10727	1.2
275.20065	100.0
276.20453	2.0
293.07840	33.7
293.17804	2.1
293.21121	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	5.2
55.01869	10.1
55.05279	3.6
55.05518	48.4
57.03432	5.9
57.07083	4.0
65.03918	2.4
67.05507	61.4
69.03413	7.0
69.07070	34.6
69.80148	12.3
71.04979	8.7
79.05080	3.9
79.05498	54.6
81.03419	8.6
81.07059	66.1
82.73585	2.5
83.04962	10.2
83.08607	25.4
85.02897	2.9
85.06547	2.9
91.05479	45.0
93.07047	46.5
95.04977	29.5
95.08074	3.2
95.08614	40.4
97.06516	10.0
97.10168	18.3
98.21426	4.2
103.05486	12.9
105.07036	38.3
107.04945	9.7
107.08591	62.1
109.06536	13.7
109.10159	23.9
111.08077	6.1
117.07035	11.6
119.08579	32.8
121.06509	5.6
121.10148	24.7
123.08084	12.0
123.11707	5.2
125.09634	14.6
129.06987	2.7
130.35818	2.5
131.04912	19.4
131.08536	20.3
133.10132	28.1
135.08063	7.1
135.11649	4.8
137.09598	19.0
139.11142	5.6
142.07759	2.4
143.08513	5.4
145.10135	20.0
147.08032	4.0
147.11705	18.2
149.09633	19.9
149.13268	5.1
151.11188	7.6
157.10143	4.8
159.11713	9.4
161.09618	2.7
161.13226	6.6
163.11185	9.9
171.11662	3.9
173.13263	9.7
177.12706	4.2
183.11844	2.8
187.11230	3.1
189.11273	5.0
191.14359	2.6
197.13203	3.0
203.12721	4.9
219.13783	3.9
223.13303	6.8
229.19507	3.7
237.11282	2.8
237.14743	2.9
239.17966	6.9
247.20581	6.9
257.19019	17.2
275.20056	100.0
293.07837	7.3
293.21103	53.6
312.28015	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01868	5.4
55.05519	19.7
57.03425	15.8
67.05502	46.9
69.07054	13.1
69.24322	18.1
69.24751	17.2
79.05498	45.8
81.03419	6.9
81.07063	100.0
83.04946	6.7
83.08591	8.0
91.05489	30.8
93.07052	34.2
95.04959	9.2
95.08609	33.3
97.06576	3.9
103.05477	7.3
105.07030	21.2
107.04977	5.1
107.08578	12.6
109.06524	39.1
109.10155	11.9
111.04481	4.1
117.07034	10.1
119.08597	18.8
121.10120	12.0
123.08071	10.9
131.04935	16.5
131.08542	17.7
133.10130	19.2
135.08060	4.8
135.11752	7.6
137.09601	10.1
143.08551	5.9
144.70032	3.4
145.10168	11.1
147.11696	9.6
149.09634	8.7
151.11157	4.6
153.12733	3.5
157.10066	3.8
159.11684	9.0
161.13295	4.4
173.13287	7.4
175.11061	3.9
180.66432	3.3
185.13220	3.7
187.11163	3.3
193.12198	4.5
201.16423	4.8
203.14352	4.4
219.17436	73.8
237.11264	5.5
247.20605	7.9
247.40770	3.7
257.19046	5.2
275.20084	50.9
293.21161	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	13.3
54.43346	2.6
55.01873	12.8
55.05516	44.6
55.47594	2.9
57.03443	5.5
64.62083	2.4
67.05505	43.0
67.06137	2.0
69.03426	10.8
69.07073	29.3
69.83151	15.6
71.05000	4.6
72.98486	2.4
75.63012	2.3
77.03945	3.1
78.70573	3.1
79.05495	60.4
81.03420	26.7
81.07061	50.8
83.04978	6.0
83.08616	21.8
85.02924	3.2
85.06509	2.9
91.04984	3.8
91.05489	43.1
93.07043	39.2
95.01325	3.4
95.04971	19.3
95.08604	32.8
97.02898	5.4
97.06534	11.7
97.10162	23.7
103.05459	27.5
105.07037	55.5
107.04981	16.0
107.08599	100.0
109.06499	12.9
109.10157	11.6
111.08115	3.1
117.07015	11.3
119.08579	23.9
121.06510	4.5
121.10171	12.2
123.08081	9.4
123.11689	3.9
125.09636	20.1
127.03931	3.7
129.06908	3.5
131.04930	71.0
131.08553	18.9
132.49985	2.8
133.10136	25.1
135.08064	4.2
135.11703	9.8
137.09648	4.2
140.41859	2.5
141.06953	2.6
145.06512	2.9
145.10161	16.8
147.11697	17.3
149.09625	23.8
149.13261	3.9
151.11229	5.4
156.87981	2.9
157.10133	4.9
159.11693	13.7
161.13278	8.2
163.11188	8.5
169.01627	2.4
169.10147	2.9
171.11743	3.2
173.13289	4.2
175.11133	2.8
177.12808	5.7
179.14326	9.4
187.11159	5.4
189.11256	8.4
219.17352	5.9
239.17934	5.5
257.19064	14.6
275.20090	92.6
293.21124	80.8
294.21240	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	8.6
55.01866	12.3
55.05515	24.1
55.53261	3.2
57.03436	20.2
65.03899	3.9
67.05504	35.7
69.07065	14.1
70.61694	10.3
71.04987	3.1
71.36906	3.0
79.05494	55.2
81.03455	4.9
81.07059	44.1
83.08620	12.9
85.06547	5.6
91.05482	43.2
93.07046	54.8
95.04964	13.5
95.08609	32.1
97.06553	16.9
97.10168	10.6
103.05461	4.3
105.07037	46.2
107.04980	8.1
107.08598	50.5
109.06519	16.3
109.10143	12.3
117.07030	12.2
119.08598	34.9
121.06512	5.9
121.10133	15.9
123.08058	6.1
125.09641	8.3
129.06949	4.9
131.04924	11.5
131.08592	19.3
133.10138	25.7
135.08063	6.3
135.11684	6.4
145.10144	18.5
147.11693	13.6
149.09622	18.9
151.11198	9.5
157.10162	6.1
159.11716	19.0
161.13280	3.5
163.11145	4.5
165.09061	4.8
169.47733	3.6
173.13293	8.3
175.14966	4.7
177.12761	5.1
185.13264	13.6
197.13304	3.8
201.16354	9.7
203.14378	11.1
219.17467	36.6
221.15344	11.1
239.17979	8.2
257.19031	19.6
275.20074	100.0
293.21112	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	7.2
53.87727	2.2
55.01877	18.4
55.05516	49.4
57.03441	6.2
57.07074	5.0
64.32085	2.6
67.05506	41.3
69.03445	4.1
69.07069	19.2
69.83100	5.8
69.83483	11.5
71.05000	4.6
79.05500	58.4
81.03410	8.7
81.07062	48.7
83.04991	9.2
83.08623	32.8
85.02926	3.3
91.05486	28.0
93.07054	41.5
95.04972	61.2
95.08618	27.8
97.06539	15.8
97.10177	30.2
98.21400	3.7
103.05479	7.0
105.07043	39.0
107.04984	18.1
107.08604	67.9
109.06516	8.5
109.10176	20.2
111.08112	3.4
117.07028	11.9
119.08595	23.4
121.06500	4.1
121.10123	16.0
123.08047	4.0
123.11711	4.7
125.09637	26.8
131.04921	17.3
131.05740	3.0
131.08589	11.5
133.10136	25.2
135.08051	8.4
135.11711	9.8
137.06020	10.4
137.09613	3.3
143.08600	3.0
145.10143	18.3
147.08173	3.2
147.11671	14.0
149.09633	56.6
149.13304	4.5
151.11230	9.6
152.89792	2.4
153.09079	4.4
159.11714	12.7
160.28140	2.6
161.09613	3.2
161.13322	3.0
163.11212	18.0
165.09157	3.3
171.10211	5.2
171.11603	3.6
177.12755	4.1
181.04927	4.3
189.11229	13.9
191.10817	5.2
205.12234	6.8
221.08173	6.5
223.13274	21.2
229.19569	4.4
237.11185	7.5
239.17818	4.5
247.20616	7.7
257.19006	14.4
275.20084	100.0
293.07825	7.2
293.21124	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.6
55.01862	7.0
55.05517	26.0
56.29694	2.2
57.03418	6.8
64.16176	1.9
67.05511	45.9
69.03427	2.8
69.07073	27.4
70.43930	4.4
70.44297	4.8
71.04983	3.2
72.15228	2.1
79.05075	4.1
79.05496	48.0
80.60548	2.0
81.03413	8.3
81.07061	100.0
83.04971	8.7
83.08611	16.8
85.06535	4.5
91.05484	33.8
92.19656	2.3
93.07041	31.3
95.04456	2.8
95.04974	26.0
95.08613	35.3
97.06526	6.1
97.10156	5.9
99.08091	3.3
103.05469	2.5
105.07034	35.4
107.04935	11.5
107.08604	21.4
109.06523	30.7
109.10164	17.7
111.08096	8.5
117.06994	10.2
119.08599	33.3
121.06470	5.4
121.10158	18.4
123.08073	18.7
123.11700	8.3
124.43484	2.2
125.09698	3.0
131.04933	10.5
131.08554	16.8
133.10138	20.6
135.08029	7.7
135.11681	9.8
137.09608	9.8
143.08533	3.5
145.10187	11.3
147.11708	21.7
149.09637	10.5
149.13289	4.7
151.11127	5.6
157.10098	4.2
159.11635	6.3
161.13170	5.0
163.11191	10.9
165.12743	4.1
168.27472	2.1
171.11690	2.9
173.09578	3.7
173.13324	6.1
175.11174	2.8
183.11778	3.1
187.11208	2.3
189.12752	2.9
191.14304	2.5
197.13277	3.7
215.17865	2.2
219.13937	3.4
221.08688	1.9
229.19498	3.6
237.14665	3.0
239.17970	5.3
247.20586	3.9
257.19037	10.8
275.20050	71.3
276.31433	2.6
293.21146	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	6.0
55.01860	6.7
55.05515	30.7
57.03446	4.0
57.07077	3.2
64.52666	2.3
65.03933	4.0
67.05183	3.7
67.05511	53.3
69.03423	2.7
69.07075	20.4
69.80680	9.2
71.05004	4.0
71.09886	2.1
73.06538	2.3
74.55759	2.4
79.05499	47.7
81.03410	6.8
81.07063	100.0
83.04974	8.3
83.08614	9.9
85.06541	3.8
91.05485	34.9
93.07042	30.1
95.04987	23.4
95.08050	3.6
95.08620	34.0
97.06517	6.5
97.10189	6.0
103.05464	6.1
104.48107	2.1
105.04493	2.6
105.07040	35.8
107.04958	11.0
107.08601	24.8
109.06526	28.2
109.10157	22.3
111.08090	7.1
111.10821	2.3
117.07011	8.7
119.08594	31.3
121.06516	6.8
121.10162	17.8
123.08073	13.9
123.11711	7.8
129.07019	4.1
131.04930	7.7
131.08575	14.8
133.10124	27.6
135.08044	9.0
135.11659	4.7
137.09641	13.7
143.08618	4.3
145.10153	14.3
147.11673	20.2
149.09674	11.4
149.13277	4.8
151.11192	9.7
155.08459	2.7
156.65352	2.2
157.10109	4.2
159.11670	8.2
161.13281	3.7
163.11201	8.2
165.12767	3.8
173.09692	2.7
173.13255	4.1
177.12729	3.5
183.11673	3.3
187.14812	2.9
193.12186	2.2
197.13243	2.8
239.17993	3.4
247.20625	9.2
257.19003	9.1
275.20081	64.9
293.21133	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.05041	2.3
53.03946	5.4
55.01863	9.7
55.05521	22.6
57.03424	2.5
58.34560	1.9
59.14568	2.3
64.28030	2.3
67.05509	36.5
69.07077	19.7
71.02095	2.1
71.05000	3.5
71.32230	4.8
71.32600	3.6
72.53961	2.7
76.63519	2.5
79.05499	40.1
81.03415	11.8
81.07062	100.0
83.04971	5.9
83.08624	21.5
85.06513	3.6
91.05493	29.2
93.07047	27.6
95.04964	18.6
95.08619	22.8
97.06535	9.8
97.10185	8.6
103.05457	4.0
105.07040	27.0
107.04977	7.7
107.08603	19.7
109.06525	42.8
109.10155	9.7
111.08125	5.4
117.07037	6.7
119.08592	21.5
121.06499	3.8
121.10136	14.3
123.08080	14.3
123.11732	2.9
125.09655	9.5
128.06166	3.9
129.06982	3.6
131.04919	5.0
131.08571	8.1
133.10170	18.6
135.08093	5.7
135.11737	8.0
137.09630	6.4
145.10135	13.7
147.08037	3.2
147.11708	18.6
149.09644	10.7
149.13290	4.9
151.11160	6.5
157.10126	5.9
159.11710	8.2
161.13327	4.8
163.11220	9.9
165.12735	3.4
171.11867	2.6
173.13284	3.0
175.11214	4.3
184.51535	2.4
193.12273	4.5
245.93285	2.6
247.20645	3.4
257.19058	10.3
275.20062	60.6
293.21118	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	1.9
55.01873	4.4
55.05526	9.9
57.07063	3.1
67.05509	27.7
69.07078	21.9
69.29655	1.7
69.80273	2.5
69.80671	3.9
71.05000	2.7
79.05495	24.0
81.06593	2.4
81.07060	31.7
83.04992	8.2
83.08607	3.5
91.05485	20.2
93.07050	26.0
95.04987	7.1
95.08607	18.3
97.06521	3.6
97.10155	1.5
97.71527	1.3
103.05549	1.6
105.07034	23.8
107.04955	6.9
107.08598	14.3
109.06519	10.2
109.10157	7.3
117.07018	6.4
119.08588	14.0
120.35945	1.5
121.06517	10.4
121.10145	8.9
123.08070	4.8
123.11673	3.5
125.09617	1.7
129.06949	2.2
131.08578	13.6
133.10136	17.1
135.08064	3.6
135.11739	3.4
137.09639	2.7
143.08568	2.5
145.10130	9.2
147.08034	2.8
147.11688	10.8
149.09637	4.4
149.13257	2.2
151.11217	8.2
157.10109	4.5
159.11684	5.0
161.09602	2.6
161.13322	1.7
163.11185	3.7
165.12755	1.6
173.09634	2.0
173.13275	3.8
175.11169	3.4
183.11716	2.7
187.11136	1.5
191.14302	1.9
196.34970	1.5
197.13213	1.8
201.12866	1.5
207.13918	2.3
219.13840	6.5
229.19478	2.7
239.17938	2.4
247.20604	3.1
257.19006	12.1
275.20071	100.0
293.21158	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	6.2
55.01865	18.9
55.05516	50.5
62.55507	3.2
67.05511	30.5
69.07056	10.5
69.24413	30.7
69.24821	6.7
71.04978	4.8
79.05074	5.6
79.05496	76.3
81.07059	31.2
83.04986	8.4
83.08611	20.8
91.05490	32.8
93.07044	35.5
95.04972	7.7
95.08595	13.1
97.06520	12.9
97.10183	28.8
105.07034	28.9
107.04964	41.5
107.08590	66.2
109.10148	15.8
111.08058	4.2
117.06989	13.7
119.08576	20.6
121.10150	18.3
123.11684	7.6
125.09643	30.4
129.06990	3.3
131.04890	4.6
131.08553	10.2
133.10143	17.6
135.08035	13.1
145.10112	12.4
147.11678	12.8
149.09630	88.7
153.09076	7.2
159.11630	7.0
161.13286	4.6
169.12289	6.8
173.11783	5.1
180.07654	3.5
189.11234	22.8
215.14337	3.6
215.17839	3.7
229.19528	8.3
247.20531	8.6
257.18997	16.7
258.12256	3.5
275.20078	100.0
293.21039	12.7
297.87292	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03950	9.5
55.01877	42.6
55.05515	54.2
57.03426	3.8
57.07079	20.7
57.40998	3.1
59.76329	2.9
67.05511	81.3
69.03431	9.7
69.07069	32.7
69.42171	3.1
70.93841	8.8
71.04996	7.0
71.08636	3.7
76.19897	3.0
79.05503	59.5
81.03432	29.2
81.07063	88.2
81.13844	2.8
83.04977	19.9
83.08625	25.4
85.06551	9.9
85.74767	2.8
91.05494	49.6
93.07047	53.5
95.04978	55.2
95.08611	59.0
97.02895	7.6
97.06535	12.1
97.10172	11.6
98.98447	3.2
98.99169	2.6
99.04470	4.8
101.45924	3.3
103.05464	15.8
105.07034	43.4
107.04953	21.9
107.08601	40.8
109.02895	3.9
109.06551	20.9
109.10159	32.1
111.04436	14.1
111.08099	12.7
117.06992	18.1
119.08598	32.0
121.06525	15.7
121.10163	24.0
123.04421	6.9
123.08056	24.0
123.11746	8.6
125.09618	26.6
131.04936	39.6
131.08614	21.0
133.06544	3.9
133.10146	37.8
135.08063	12.5
135.11667	14.9
137.09615	52.6
143.08589	3.2
145.10117	20.3
147.11684	11.0
149.09599	26.6
149.13295	5.4
151.11211	29.8
153.09132	3.1
157.10204	7.2
159.11708	12.6
161.09579	5.3
161.13303	7.5
163.11098	18.7
165.09151	10.5
165.12727	6.5
167.10680	4.6
169.10147	4.8
171.11723	3.1
173.13266	7.5
175.11243	4.8
177.12785	14.0
179.10681	5.1
181.12219	3.4
183.11792	4.7
185.93312	2.8
187.11292	4.7
187.14767	4.6
191.10710	5.1
191.14453	8.1
193.12308	6.6
198.01741	2.9
201.12796	4.8
202.27354	3.4
205.19397	3.3
207.13878	4.3
209.11728	4.5
215.17886	3.7
221.15057	3.2
223.13264	4.4
229.19493	15.8
237.11229	6.8
247.20561	12.2
257.18964	17.5
275.20065	100.0
293.11902	4.0
293.21097	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	7.5
55.01870	8.5
55.05270	2.8
55.05518	36.0
57.07073	8.6
65.03929	2.8
67.05508	100.0
69.03425	4.6
69.07069	24.4
69.80215	11.9
71.04985	4.0
71.08604	3.9
76.73852	2.1
79.05495	48.4
81.03428	8.2
81.07057	99.3
83.04981	8.3
83.08627	25.4
85.06522	2.7
91.05491	33.6
91.19508	2.3
93.07046	49.2
95.04973	19.4
95.08612	77.1
97.06539	14.5
97.10174	10.4
99.04514	2.4
103.05464	9.6
105.07034	25.9
107.04980	10.9
107.08601	37.7
109.06526	7.0
109.10162	31.3
111.08099	8.2
117.07026	15.4
119.08582	23.6
121.06509	8.0
121.10159	25.4
123.08050	7.9
123.11719	13.8
125.09630	7.9
129.06999	5.0
131.04941	26.8
131.08574	17.0
133.10153	20.7
135.08047	7.5
135.11703	15.2
137.09625	9.5
137.13248	7.6
139.11201	2.7
143.08620	3.4
145.10092	17.4
147.08029	2.8
147.11658	13.8
149.09631	34.6
149.13310	6.8
151.11217	9.1
151.14862	2.7
155.08551	4.4
157.10135	3.9
159.11699	12.8
161.09528	3.5
161.13249	7.5
163.11209	25.1
163.14775	2.2
165.12799	4.1
169.10112	4.5
171.11703	3.5
173.09651	5.9
173.13295	9.7
175.11299	2.4
175.14830	2.7
177.12761	6.3
177.16585	2.4
179.14301	2.2
180.74269	2.3
183.11696	2.5
187.14790	3.6
191.14345	4.5
197.13162	3.7
209.11594	3.0
214.37596	2.1
223.13292	4.3
229.19528	8.4
237.11299	4.8
239.17993	15.2
239.96632	2.2
247.20555	5.2
254.06219	2.5
257.19025	20.4
275.20102	79.9
275.27072	3.2
293.21124	30.4
293.24792	5.9
293.28296	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	293.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01883	2.0
55.05515	12.0
57.03416	2.0
57.07057	6.1
65.03936	1.9
67.05507	97.3
69.07070	13.3
76.34232	1.6
79.05486	15.5
81.03418	3.0
81.07056	100.0
83.04955	2.2
83.08598	6.2
85.06541	2.4
91.05460	7.7
93.07046	16.3
95.04951	4.8
95.08608	64.0
97.06521	3.5
97.10159	3.6
103.05439	4.4
105.07039	8.2
107.04954	2.2
107.08612	11.5
109.06533	2.7
109.09391	2.1
109.10156	37.0
111.04504	2.7
111.08040	4.2
117.06989	2.7
119.08558	7.2
121.06502	3.3
121.10162	10.8
123.11715	19.4
131.04900	5.4
131.08565	5.6
133.10132	6.1
135.11673	5.1
137.09578	1.8
137.13283	8.5
145.10104	5.2
147.11667	3.5
149.09618	4.6
149.13269	4.0
151.11165	2.9
151.30917	1.7
159.11684	6.1
161.13249	4.0
163.11172	2.4
173.13264	5.7
181.04942	3.4
187.14868	5.5
191.10649	2.1
191.14317	2.7
193.21368	1.9
203.32480	1.9
209.11678	5.2
237.11125	11.2
243.21062	4.7
261.22049	3.8
272.73584	1.8
275.20102	8.2
293.07898	2.3
293.21115	12.6
293.24713	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	294.1813
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
51.02382	0.2
52.36383	0.2
53.03939	0.5
55.01868	1.1
55.05512	2.5
56.05039	3.7
56.05866	0.2
56.96571	4.5
57.03443	1.8
58.06588	0.2
59.04992	0.3
60.04528	0.8
61.02930	2.4
61.04033	0.3
67.05506	1.3
68.05035	0.3
69.03433	5.6
69.07072	1.2
69.41586	0.5
69.41999	0.9
70.06597	2.3
70.98117	0.4
71.04997	0.8
71.95290	0.2
72.04529	1.2
72.08160	2.9
73.02922	2.1
73.06555	2.0
74.06081	0.3
75.01045	0.2
75.25531	0.2
79.05484	0.4
81.03413	2.1
81.07062	0.8
82.06596	0.4
82.07394	0.2
83.01342	0.3
83.04968	0.3
83.06106	0.4
83.28802	0.2
84.04510	4.0
84.08146	100.0
84.96037	0.7
85.02907	10.0
85.06563	0.4
85.08484	0.5
86.03219	0.4
86.09708	8.5
87.01044	0.2
87.04485	1.3
87.09997	0.2
88.04005	0.6
90.09200	1.3
91.03966	0.6
91.05486	1.0
93.04502	0.2
93.07052	0.6
95.04958	0.9
96.08085	0.2
97.02296	0.4
97.02897	5.1
97.16035	0.2
98.03225	0.3
98.21567	0.2
98.97585	14.4
99.04462	1.4
99.08071	0.3
100.99142	0.3
101.00854	0.6
101.02419	0.2
101.07117	0.5
101.10780	3.2
102.00972	0.5
102.01593	0.2
102.05529	0.3
102.09136	0.3
102.92640	0.2
102.96873	0.4
103.05477	1.5
103.84228	0.2
104.01273	0.2
104.05296	0.2
105.02077	0.3
105.03905	0.2
105.07033	0.5
107.04958	11.1
108.01534	0.2
108.05297	0.4
109.02888	1.3
110.01311	0.5
110.07166	0.8
110.97566	2.0
111.09210	0.3
112.02858	0.2
112.07618	0.9
112.11256	0.3
112.99148	1.0
114.09170	5.3
115.02402	0.2
115.04030	0.2
116.07085	0.3
116.74242	0.2
116.98625	4.8
117.02120	0.3
117.05496	0.2
118.92135	0.2
119.01862	1.6
120.02026	0.4
120.08108	20.0
121.08508	0.2
122.01319	0.3
123.04445	1.2
124.07591	0.3
124.99117	0.5
125.87213	0.2
127.03911	2.4
127.08733	0.2
128.02324	0.9
128.10722	0.2
128.98599	1.8
129.02214	0.3
129.03792	0.3
129.10245	16.5
130.05014	4.1
130.08644	4.9
130.10603	0.2
131.00180	0.9
131.01849	0.6
131.04921	0.5
131.96106	0.4
132.07111	0.4
132.10205	10.0
132.95839	0.7
132.97984	0.2
133.03470	0.3
133.10168	0.3
134.09647	0.2
134.99649	0.9
136.07600	0.4
136.93156	0.2
137.05904	0.2
137.07944	0.3
140.00212	0.3
140.02299	0.9
140.98567	0.3
143.00169	0.7
143.01881	0.9
143.96127	0.3
144.01987	1.0
144.95868	0.4
144.98083	0.2
145.01768	0.5
145.03429	0.4
145.04948	1.0
145.09993	0.2
146.04138	0.7
146.99617	0.8
147.03207	0.9
147.04251	0.2
147.07663	4.0
147.11285	6.5
149.01277	0.3
149.02791	0.6
149.97206	0.2
150.96887	0.2
154.08633	0.4
155.01923	0.5
155.04660	5.4
155.54813	0.4
157.03481	0.3
158.99663	5.4
159.03242	0.4
161.01205	0.5
161.02977	1.0
161.04764	0.6
161.06668	0.3
162.03094	0.9
162.99132	0.3
163.02782	0.5
164.05185	0.8
165.00667	0.4
165.10298	0.4
166.08626	0.7
166.55510	0.2
168.03670	0.7
168.05440	4.9
168.55618	0.6
169.04393	0.9
170.99620	0.6
172.95329	0.3
172.97618	0.2
173.01279	0.3
173.02957	0.8
173.04749	0.9
173.97221	0.6
174.03175	0.4
174.06760	0.2
174.96875	0.4
175.02783	0.5
175.04364	0.3
176.03389	0.3
176.55296	0.3
177.00731	3.5
177.04182	1.6
177.05966	3.3
178.04893	1.0
182.99736	0.3
183.02351	0.3
184.05013	0.3
185.06567	0.2
187.02760	0.3
188.09183	0.9
188.56718	0.3
189.00722	0.7
189.04367	0.8
189.05902	0.3
191.02307	0.4
191.03908	1.0
191.05891	0.6
192.98518	0.2
193.00291	0.3
193.03693	0.4
197.12816	0.2
200.04430	0.3
201.00746	0.6
203.04057	0.4
204.02776	0.5
204.06416	0.4
204.08229	0.7
204.98177	0.2
205.00209	0.3
205.09721	0.4
206.06213	0.3
212.12849	0.2
212.56375	0.2
213.03496	0.3
213.06915	0.9
213.09042	1.2
214.08322	0.5
218.06219	0.4
219.01768	2.5
221.03165	0.3
221.05145	0.6
222.05301	0.4
227.06807	2.3
227.56906	0.4
230.13982	0.6
231.14946	0.4
234.09268	0.4
234.98886	0.4
235.06471	0.3
237.02800	1.4
243.05292	0.4
245.05176	0.4
248.14897	0.2
248.96101	0.3
249.08221	0.4
252.05017	0.3
257.07813	0.8
258.13330	0.6
259.14481	0.5
260.09216	0.3
260.12851	0.5
261.02826	0.3
271.06540	0.4
273.08224	0.3
276.10083	1.0
276.14288	1.1
276.17114	0.7
277.11984	0.5
277.15433	5.4
285.08920	0.4
291.07410	0.9
293.10718	0.2
293.60928	0.3
294.06192	0.5
294.11172	3.4
294.14868	1.1
294.18109	11.7
295.10660	0.9
295.18747	0.2
301.07675	0.3
305.10727	0.2
309.08554	2.7
310.08633	0.3
312.07440	0.3
319.08972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03938	1.6
55.01866	2.7
56.05030	1.6
56.96553	2.5
57.03422	0.6
61.02923	0.6
61.46029	0.6
63.35917	0.6
66.15221	0.6
67.01865	30.3
67.05501	1.6
68.99780	5.0
69.03418	1.3
69.07076	6.0
70.06587	2.2
70.81683	1.6
72.08147	2.5
72.93767	0.7
73.02900	0.9
74.06068	1.1
77.03921	1.6
79.05478	2.2
81.03418	4.6
83.06104	4.5
83.61475	0.6
84.04505	8.4
84.06445	1.5
84.08139	3.7
85.02898	2.5
85.04842	1.1
85.08440	0.9
86.09707	42.0
91.05488	9.9
92.06250	2.8
93.07055	0.6
95.01330	65.4
95.04960	2.6
97.02873	1.5
97.98728	0.7
98.97565	6.9
102.05531	1.1
103.05467	1.7
105.03395	3.3
105.07020	2.1
105.70382	0.6
107.04958	19.6
108.05289	5.9
109.02888	2.1
110.97577	0.6
113.02351	0.7
115.05479	0.6
116.98618	2.2
119.04952	9.1
120.05722	13.6
120.08112	11.7
121.06510	4.3
121.08441	5.9
123.04425	2.7
129.10237	2.5
131.04921	2.0
132.95839	2.5
133.02856	8.6
133.06485	1.5
135.04407	1.7
136.07578	2.3
137.02339	45.3
137.05954	5.7
139.03931	1.2
143.07173	0.8
147.04430	2.4
149.02365	0.7
150.07735	2.0
151.03893	1.1
158.99667	2.3
159.04448	1.3
161.02399	0.9
161.06059	2.8
162.05443	1.1
163.03893	2.6
163.07529	0.8
165.01840	100.0
166.02203	1.1
166.08617	3.3
167.08969	1.6
173.05934	0.6
174.96861	3.0
175.07477	0.9
176.04660	0.8
177.00687	1.9
177.01987	0.7
177.05457	0.8
179.03374	5.2
179.07056	0.9
182.08101	2.4
186.96884	1.7
187.04001	1.0
187.07474	0.7
187.09378	0.7
189.05424	1.2
191.03352	1.1
195.02863	2.5
199.07567	0.7
201.02208	0.7
203.03526	0.9
204.04112	0.6
205.04941	1.8
205.08105	0.8
214.08488	0.7
216.97949	0.9
217.04988	0.7
219.01761	1.3
231.02917	0.8
231.06619	0.7
231.11284	1.2
232.11606	1.9
233.04460	12.9
234.04805	0.8
249.07629	0.7
277.14063	4.4
278.12082	2.3
294.58658	0.7
295.01389	1.3
295.04483	6.7
295.08124	20.7
295.12891	1.6
295.16568	1.7
296.05240	1.0
305.08969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
60.04523	0.7
60.28726	0.3
65.03952	0.3
67.05520	0.6
68.99796	0.7
69.07063	0.6
70.02955	9.7
70.03341	0.5
70.52392	0.7
71.01346	0.3
74.02448	2.9
81.07057	1.2
83.08607	0.4
86.02415	2.2
87.00822	1.9
88.03992	37.6
91.05488	0.8
92.05006	0.9
92.47057	0.3
93.07073	0.3
94.06568	42.0
95.04953	0.5
95.08595	0.7
96.00837	0.5
98.02424	0.9
99.00812	5.3
103.05489	0.3
104.03467	11.9
104.04984	3.9
105.04538	0.5
105.07027	0.5
109.10139	0.7
116.03451	1.9
117.30150	0.3
118.06547	3.1
120.03637	0.6
120.04470	9.6
120.05328	0.6
121.10216	0.4
122.06039	0.6
128.04948	0.6
130.05009	1.6
130.12752	0.3
132.04462	8.2
133.06494	0.3
136.07579	0.9
146.06009	100.0
147.06389	0.6
150.05516	3.6
156.02942	4.2
158.04526	1.2
163.08699	1.5
164.07060	0.7
174.03986	14.3
174.05516	36.6
184.02400	1.2
191.08170	0.5
192.06532	6.7
202.03468	12.6
233.09290	0.6
238.55859	0.3
259.07361	0.5
277.08240	1.5
295.09354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.02385	0.5
53.03957	0.5
53.92381	0.2
55.01870	0.4
55.05516	0.5
56.05047	0.6
56.96568	5.6
57.03447	0.6
57.97585	0.2
58.06583	0.3
59.05041	0.3
60.04533	0.6
60.09650	0.2
61.02929	0.8
67.01871	0.7
67.05519	1.1
68.99822	0.2
69.03440	1.7
69.07076	0.9
70.06594	2.6
70.95855	0.2
70.98141	1.0
71.01360	0.2
71.05001	0.4
71.47748	0.5
72.08149	2.4
72.93820	0.4
73.02934	0.8
73.06543	0.4
77.03925	1.4
77.04336	0.3
79.05512	0.8
81.03438	0.9
81.04513	0.3
81.07041	0.3
84.04511	6.1
84.04981	0.5
84.08150	3.7
84.96054	0.9
85.02911	2.6
85.08498	0.8
86.09712	5.9
86.34155	0.3
87.10017	0.3
88.03995	0.4
88.99195	0.4
91.05484	1.1
93.07048	1.8
95.01351	1.7
95.04981	2.4
97.02878	1.9
98.97587	13.7
101.02388	0.4
102.05555	2.2
103.05473	7.2
105.03408	1.8
105.04507	0.4
105.07037	0.8
107.04959	6.0
107.08614	0.5
109.02924	0.4
109.10174	0.3
110.07164	0.4
110.97582	3.2
112.08760	0.3
112.99145	0.6
115.08688	0.3
116.07105	0.3
116.98637	3.9
117.07047	0.4
118.06531	0.3
119.08583	0.3
120.08109	100.0
121.08482	2.1
121.10124	0.6
123.04433	38.1
123.07933	0.7
124.04743	1.6
124.99128	0.6
127.03916	0.6
128.02275	0.5
128.98601	2.7
129.10207	1.3
130.05006	3.2
131.00188	0.6
131.01834	0.3
131.04932	0.5
131.08594	0.3
132.95840	1.7
133.02827	2.3
133.10170	0.7
134.99644	0.9
135.08047	1.0
136.07574	0.8
137.02301	1.1
140.98619	0.3
143.00160	0.8
144.95822	0.8
144.98155	0.4
145.01752	0.2
146.99664	0.9
147.03322	1.3
147.04329	0.4
148.06055	7.2
150.07773	1.1
150.96902	0.7
151.03905	0.4
154.08650	0.6
155.04694	2.4
158.99673	4.5
161.01163	0.5
161.02351	0.4
162.96829	0.6
164.05223	0.4
164.07019	0.3
165.01840	3.2
165.04306	1.0
166.08632	0.4
167.00140	0.3
170.99657	0.5
172.05777	0.3
172.97563	0.6
173.13142	0.5
174.96852	1.5
177.00716	3.2
179.00125	0.8
179.03394	1.0
182.08083	0.5
182.36235	0.2
186.96858	0.9
189.00668	0.7
189.04303	1.0
189.12341	0.3
190.98671	0.7
191.03854	0.4
191.14270	0.5
192.97964	0.5
197.01186	1.0
201.00696	0.7
201.04314	0.5
205.08009	0.5
205.09708	0.6
207.05782	1.1
214.08661	2.3
216.98093	0.3
219.01784	4.8
220.02272	0.4
221.01141	0.4
223.09105	1.2
229.03667	0.4
231.11273	0.6
232.99652	0.5
233.04581	0.4
233.06804	0.6
234.05627	0.9
234.98886	0.6
237.00822	0.3
237.02850	3.4
243.05382	0.5
249.12401	2.1
250.04071	0.4
277.11832	1.2
291.07568	1.7
294.59198	0.3
295.01041	0.8
295.08063	1.9
295.13058	7.4
295.16248	0.6
305.09164	0.3
309.08569	4.4
310.08801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01653	0.3
53.61462	0.2
54.06942	0.2
54.60018	0.2
55.01872	0.4
55.05514	0.5
56.05032	0.3
57.03451	0.3
67.05504	0.4
68.99815	0.2
69.03429	0.5
69.07052	0.4
70.06588	1.7
71.21526	0.5
72.08153	1.3
74.02425	0.7
75.52218	0.3
77.03928	0.3
79.05484	0.3
79.22496	0.2
81.07066	0.3
84.04514	1.6
84.08153	1.4
85.02895	0.9
86.09222	0.5
86.09705	5.9
91.05483	23.0
93.07043	0.4
94.06543	0.4
95.04928	0.3
98.97599	0.7
102.05547	0.4
103.05444	0.3
105.03399	0.6
105.07022	0.2
107.04971	1.5
109.06536	0.6
110.07209	0.3
112.08714	0.3
114.13772	0.3
118.01698	0.2
118.06538	1.1
119.04945	16.5
120.08126	1.2
121.06499	2.5
123.04456	0.3
123.08079	0.3
129.10248	1.1
130.04971	0.3
130.08638	0.7
131.04987	0.4
132.10205	1.7
132.95810	0.3
133.02875	2.0
134.04639	0.3
135.04431	0.2
135.08034	0.3
136.07581	100.0
137.05984	0.3
137.07939	0.4
147.04431	0.7
150.07745	2.9
151.03851	0.4
151.07544	0.3
162.11501	0.3
165.01839	1.1
174.96886	0.5
179.03407	1.1
205.04938	0.6
207.02829	0.4
209.30980	0.2
219.01688	0.4
232.13406	0.3
233.00835	0.6
249.03871	0.3
249.16008	1.3
250.14468	0.7
267.10278	0.3
277.15518	0.3
278.14069	1.3
295.04434	0.6
295.09106	0.2
295.16504	5.0
311.18921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
65.03933	0.5
69.07059	0.2
70.06585	0.2
70.92879	0.7
72.08164	0.5
74.02442	0.7
76.18404	0.3
84.08161	0.6
85.39469	0.3
86.09711	5.0
91.05488	24.7
93.07049	0.4
98.97559	0.4
105.03355	0.5
107.04953	0.9
109.06493	0.7
118.06561	1.0
119.04950	16.7
120.08118	0.3
121.06522	3.1
130.08682	0.7
132.10205	1.9
133.02869	1.0
136.07587	100.0
137.07918	0.4
147.04430	0.5
150.07735	0.4
161.10756	0.7
179.03412	0.7
181.99861	0.3
236.12923	0.3
249.16072	1.3
250.14445	0.9
268.36447	0.3
278.13870	1.0
295.09641	0.6
295.16522	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	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03942	2.3
55.01867	8.4
55.05509	13.5
56.05846	2.5
57.07076	3.3
63.76448	1.4
66.09916	1.6
67.05507	21.1
68.05830	3.3
68.96330	1.4
69.07068	14.2
69.82529	8.4
70.07396	3.0
71.08588	1.8
79.05494	12.8
80.05817	4.1
81.03415	2.2
81.07056	47.9
82.07388	4.9
83.04975	4.6
83.08624	5.5
84.91515	1.4
85.06521	1.5
91.05482	11.5
92.05819	4.8
93.07057	11.4
94.07382	4.4
95.04968	4.1
95.08611	14.0
96.08962	3.2
97.06554	3.2
97.10170	2.7
105.07043	12.1
106.07361	4.8
107.04950	2.9
107.07794	1.9
107.08599	7.8
108.05244	1.9
108.08939	3.4
109.06517	16.5
109.10181	7.2
110.06821	1.4
110.10550	1.8
111.04453	11.8
111.08113	2.1
117.07006	1.9
119.08567	8.9
120.08941	2.0
121.06496	3.0
121.10145	7.5
122.06870	2.3
122.10502	2.0
123.11723	3.7
125.05994	3.6
131.08607	3.6
132.08885	2.1
133.06454	3.4
133.10139	7.1
134.10466	3.5
135.08083	3.8
135.11703	5.0
137.05983	100.0
137.09608	1.9
137.13242	3.4
143.08566	2.8
145.10129	4.3
146.10463	3.2
147.11716	8.2
148.12083	2.1
149.09630	5.0
149.13284	2.0
151.07506	3.0
151.11205	2.5
155.08481	1.5
161.09625	1.9
161.13286	3.4
163.11195	2.4
163.14854	2.3
165.09146	2.4
167.94623	1.6
169.53545	1.7
171.11743	2.0
173.13234	1.7
175.11192	4.4
179.10707	1.8
203.17978	3.7
208.14139	2.0
220.14211	1.7
231.17448	11.6
237.00372	1.4
241.15967	2.4
249.18639	8.3
249.20926	2.5
257.19058	2.2
259.19781	6.6
275.20032	3.3
277.17941	29.8
277.20807	49.0
295.09579	3.8
295.21652	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03945	8.1
55.01866	9.5
55.05514	48.1
57.03439	3.2
57.07066	8.6
65.03922	4.0
67.05508	100.0
69.07072	38.9
70.32959	3.0
70.33292	7.8
71.04983	5.9
71.08638	70.4
77.84883	2.6
79.05070	5.0
79.05498	54.5
81.03416	18.1
81.07063	67.9
83.04957	16.8
83.08620	26.2
85.06532	7.3
91.05476	39.5
93.07053	77.4
95.04971	20.2
95.08615	65.9
97.06519	17.6
97.10175	24.0
99.08100	62.3
101.08733	2.6
101.53829	3.3
103.05529	4.5
105.07030	32.9
107.04952	11.0
107.08603	45.0
109.06550	4.7
109.10178	30.4
111.08092	6.8
113.09670	2.7
116.22343	3.1
117.07017	10.3
119.08588	19.1
121.06512	3.7
121.10143	27.9
123.11689	7.1
125.09641	18.8
129.06999	8.6
131.04924	6.6
131.08569	9.3
133.06496	8.5
133.10107	25.5
135.08072	5.3
135.11699	24.9
137.05972	5.1
137.09648	5.3
137.13240	3.4
139.11176	4.7
142.69579	2.8
143.08528	4.6
145.06557	4.3
145.10155	14.1
147.11722	16.7
149.09608	4.2
149.13324	14.6
151.11185	54.1
157.10109	3.6
159.11702	6.5
161.09665	4.4
161.13271	23.3
163.07539	11.6
163.11211	20.9
163.14844	8.6
163.40259	2.9
165.12831	3.5
171.11687	5.6
173.13258	4.0
175.14841	4.5
177.12749	5.3
179.14319	29.3
185.13272	6.5
189.11244	10.4
189.12759	5.4
192.37836	2.9
199.14885	6.2
231.21173	4.3
241.19643	9.5
249.22224	3.8
259.20551	18.6
277.21658	90.6
295.09625	4.8
295.13211	8.8
295.16632	4.9
295.22388	6.1
311.05862	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03937	4.5
55.01881	16.7
55.05516	92.9
67.05508	43.4
69.03404	2.2
69.07073	23.3
69.48943	14.6
71.04983	4.3
75.37495	1.9
75.54227	1.9
77.99023	2.0
79.05491	24.5
81.03416	8.7
81.07058	49.4
83.04991	7.2
83.08624	100.0
85.06519	2.5
91.05484	38.0
93.07052	32.1
95.04971	8.5
95.08622	25.9
97.06531	11.1
97.10172	4.0
97.92116	2.0
99.08103	6.4
105.07037	27.0
107.08591	19.9
107.49055	1.9
109.06522	8.1
109.10165	10.9
111.08089	24.1
117.07051	3.5
119.08583	15.2
121.10159	18.3
123.11670	4.5
129.07010	8.3
131.08562	6.9
133.10124	30.1
135.11740	10.9
139.11192	16.2
142.07828	2.2
145.10106	4.1
147.11661	20.5
149.09604	8.1
149.13269	25.3
151.11166	14.4
157.10110	11.9
159.11717	4.7
161.13167	4.5
163.11180	2.3
165.12788	13.6
167.14288	6.6
171.11697	4.6
173.13266	4.5
175.11221	9.8
179.14322	3.3
185.13330	2.7
193.12314	4.4
214.93877	2.2
241.19484	4.1
259.20468	10.7
277.21661	44.2
295.22562	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	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	7.7
55.01886	18.1
55.05517	55.2
57.03439	9.0
57.07068	10.8
67.05507	86.6
69.03425	6.0
69.07072	50.6
69.36331	29.7
71.05002	7.3
71.08633	15.8
71.50759	3.1
79.05493	56.5
81.03413	12.4
81.07061	100.0
83.04987	31.4
83.08625	29.6
85.06551	8.2
85.10186	4.5
91.05490	45.7
93.07046	70.7
95.04977	24.4
95.08604	63.3
97.06553	17.1
97.10181	22.8
99.08057	8.8
105.07033	37.7
107.08604	39.7
109.06518	10.5
109.10171	31.4
111.08078	24.7
113.09633	6.5
117.07038	7.9
119.08568	25.3
121.06531	4.9
121.10154	26.9
123.08069	12.9
123.11729	12.2
125.09628	9.7
129.07021	10.0
130.45055	3.4
131.05011	3.8
131.08557	11.9
131.43654	3.2
133.10165	25.0
135.11700	19.5
137.09596	7.9
137.13242	5.6
137.98111	3.5
139.11171	18.3
143.08522	6.5
145.10121	11.4
147.11707	21.2
149.09618	6.7
149.13246	12.3
151.03899	4.8
151.07565	22.9
151.11194	13.8
157.10136	11.0
159.11603	8.8
161.13237	11.2
163.11188	6.6
163.14896	3.6
165.12755	13.8
171.11671	10.2
173.13254	5.7
175.11182	4.6
175.14763	6.4
179.14326	8.8
189.11217	5.6
195.13849	6.3
249.22137	4.1
259.20578	11.1
277.21643	66.6
280.11035	4.9
295.09915	6.0
295.13492	7.9
295.16913	20.2
295.22614	88.7
307.22589	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	11.4
54.16518	3.3
55.01871	10.6
55.05280	3.0
55.05515	38.0
55.48719	2.8
57.03443	7.3
57.07061	7.7
67.05505	78.4
69.03423	6.1
69.07067	36.8
70.73652	5.8
71.04965	5.7
71.08636	36.1
79.05500	55.7
79.05934	6.3
81.03419	21.7
81.07059	56.7
83.04558	3.6
83.04969	17.4
83.08617	19.9
85.06555	5.7
86.09720	4.4
91.05481	25.0
93.07040	53.7
95.04964	23.4
95.08611	33.5
97.06541	12.8
97.10161	13.1
97.12447	2.9
99.08083	37.8
99.94073	2.9
105.07031	24.9
107.08603	31.1
109.06516	8.3
109.10146	24.0
111.07265	2.7
111.08087	10.2
117.07008	8.7
119.08570	17.9
120.78653	3.0
121.10154	20.0
122.20911	3.0
123.08070	4.3
123.11661	4.3
125.09628	8.5
129.07025	4.4
131.08569	4.0
133.10092	15.2
135.11685	15.4
137.09630	9.9
139.11201	7.3
145.10130	7.5
147.11693	11.4
149.13229	8.4
151.11195	34.7
159.11728	3.9
161.13287	12.6
163.11197	12.5
165.12740	8.5
171.11705	5.2
173.13283	6.0
179.14333	13.7
185.13283	4.6
199.14937	3.8
207.13876	4.3
221.15479	7.3
241.19559	6.3
249.21936	5.1
259.20547	6.5
277.21655	100.0
295.22702	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03935	6.5
54.89271	3.5
55.01874	45.3
55.05272	4.9
55.05513	63.0
57.03416	9.4
57.07064	16.3
67.05186	6.3
67.05508	86.5
69.03421	6.8
69.07068	43.8
69.83244	10.4
69.83659	10.3
71.04985	6.7
71.08628	22.5
79.05502	53.7
81.03403	13.5
81.06596	5.6
81.07056	82.1
83.04996	27.5
83.08627	26.2
85.06527	9.1
85.10164	6.7
90.36745	3.3
91.05486	45.3
93.07047	76.5
95.04969	22.1
95.08620	59.0
96.35143	3.4
97.06538	18.2
97.10159	16.5
99.08084	15.7
105.07028	36.3
107.04932	5.5
107.08593	41.6
109.10164	23.2
111.08109	43.3
113.09645	8.8
117.07044	7.4
118.28223	3.4
119.08604	22.6
121.06481	3.7
121.10146	21.2
123.08030	5.8
123.11686	7.7
123.82088	3.8
124.00892	3.7
125.09647	10.0
129.06993	6.7
131.08546	9.4
133.10115	33.2
135.08073	5.0
135.11713	18.0
137.09572	7.6
139.11176	16.2
145.10132	4.4
147.11681	19.7
149.09602	9.0
149.13287	18.9
151.11205	18.3
153.12781	5.1
157.10172	7.2
159.11676	8.3
161.13266	13.2
163.11284	6.0
163.14871	4.2
165.12756	16.4
171.11681	8.7
175.11162	4.3
175.14871	5.8
179.14349	8.5
195.13687	5.3
207.13924	3.5
221.15375	6.1
231.21060	5.9
241.19412	5.6
256.03439	3.9
259.20535	15.2
275.87247	4.2
277.21628	100.0
295.19348	5.2
295.22690	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03948	6.8
55.01638	5.3
55.01876	72.7
55.05513	43.5
57.07067	9.2
62.22198	3.9
65.03947	3.2
65.08829	2.8
67.05509	49.8
69.03436	4.0
69.07078	31.9
69.26885	23.4
69.27292	8.3
69.55418	3.4
71.04981	3.5
71.08617	15.0
79.05498	30.1
81.03409	11.6
81.07063	56.0
83.04980	18.8
83.08629	32.5
85.06511	4.4
85.10182	11.6
88.92359	3.3
91.05491	34.1
93.07048	38.7
95.04984	16.2
95.08614	36.4
97.06532	24.2
97.10153	9.1
98.20799	6.2
99.08092	14.3
105.07030	24.3
107.04939	5.6
107.08578	21.4
109.06549	7.6
109.10165	20.6
111.08093	79.2
113.09644	14.5
119.08571	18.9
121.10150	16.9
123.08084	5.4
123.11704	5.3
125.09609	5.3
127.84426	3.9
129.06972	3.3
131.08542	7.2
133.10155	22.6
135.11696	8.2
139.11163	8.6
143.08600	4.4
145.10123	5.6
147.11725	18.0
149.09624	9.3
149.13243	10.9
151.11188	24.5
153.12692	4.8
155.08481	3.9
155.38173	3.7
157.10158	7.0
161.13313	7.9
163.11179	9.6
165.12749	27.1
171.11705	5.3
175.11189	6.9
175.14890	4.3
179.14301	10.3
182.36021	3.9
185.13271	3.5
231.21123	5.2
241.19604	4.2
259.20547	7.8
277.21643	100.0
295.16724	4.1
295.22681	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03927	3.3
55.05507	16.2
57.03444	35.7
67.05507	52.6
69.07079	19.0
69.71498	19.9
71.04986	5.0
75.42779	2.9
79.05502	36.2
79.67081	3.0
80.41500	3.6
81.07059	100.0
83.08619	18.9
85.06533	11.6
91.05486	20.4
93.07050	49.3
95.04881	3.7
95.08612	76.2
97.06536	6.4
97.10152	8.2
99.08097	5.7
102.81104	3.5
105.07019	20.4
107.08605	35.9
107.79990	3.6
109.06508	7.6
109.10169	29.3
111.08063	7.0
117.07043	4.9
119.08580	17.3
121.10135	33.4
123.08064	9.6
123.11704	9.6
129.07039	4.6
131.08559	16.3
133.10139	17.0
135.11729	23.0
137.09621	5.4
139.11200	5.7
145.10149	18.1
147.11684	11.9
149.13300	12.2
159.11708	9.7
161.13237	6.8
163.14828	7.5
171.11644	4.5
173.13293	6.4
175.14789	5.3
181.12408	4.1
185.13260	5.4
187.14854	23.3
199.14815	4.3
203.17984	5.6
205.15872	9.2
207.17349	5.3
221.19118	5.8
223.17001	9.8
223.96136	4.4
241.19513	5.8
259.20593	13.5
277.21661	54.6
295.22580	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.33009	5.2
55.01828	6.6
55.05515	40.2
57.07032	6.0
67.05197	5.0
67.05511	83.9
69.07060	22.2
71.08629	51.2
71.93155	5.4
77.42461	5.5
79.05493	61.1
81.03408	9.9
81.06658	6.9
81.07058	79.9
83.04970	16.5
83.08599	21.8
91.05489	34.5
93.07042	70.9
95.04961	12.7
95.08620	54.9
97.06506	8.7
97.10159	14.3
99.08105	33.8
105.07017	30.1
107.04982	9.5
107.08034	5.3
107.08618	45.5
109.06483	6.1
109.10163	40.8
109.52699	5.1
117.07007	10.0
119.08562	21.5
121.10176	38.4
125.09634	15.3
133.10095	18.4
135.11703	42.2
137.09613	5.8
149.13231	16.6
151.11162	20.0
159.11736	8.3
161.13277	10.1
163.11189	6.7
171.10236	6.0
179.14299	100.0
189.11209	13.5
221.15370	6.4
235.16782	9.2
259.20731	8.1
277.21652	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01877	85.1
55.05273	4.4
55.05516	57.0
57.07065	4.6
67.05508	54.4
69.03436	3.8
69.07072	55.6
69.90262	13.5
71.04987	8.8
71.08624	4.2
78.69581	3.4
79.05499	39.7
81.03411	8.7
81.07061	89.0
81.07533	5.8
82.56319	3.0
83.04974	10.5
83.08611	32.4
91.05471	40.1
93.07046	43.8
95.04960	6.2
95.08606	42.9
97.06534	100.0
97.10114	4.0
98.28654	3.5
99.08080	10.7
105.07032	31.3
107.08604	26.0
109.06516	8.0
109.10159	15.3
111.08081	14.8
117.07030	4.7
119.08568	27.3
121.10150	25.6
123.08083	9.6
123.11718	16.8
125.09639	11.6
125.59858	2.9
129.06950	4.3
131.08554	7.9
133.10132	16.1
135.11707	20.6
137.13243	3.8
139.11205	8.1
145.10110	9.0
147.11681	51.8
149.09567	4.8
149.13275	11.8
151.11159	9.8
157.10121	6.3
159.11694	7.3
161.13304	10.9
163.11205	9.9
163.14801	3.7
165.12791	20.3
167.10704	3.5
171.11700	4.5
171.44467	3.1
175.11136	5.3
175.14835	3.8
175.48436	4.0
179.14334	5.3
189.12813	4.3
207.13818	3.7
216.42719	3.4
231.21126	6.5
241.19591	8.9
249.22171	8.4
259.20599	15.6
274.77020	3.8
277.18857	6.3
277.21658	95.1
295.17227	3.8
295.22757	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	21.2
54.07970	6.1
55.01857	11.6
55.05510	38.8
57.07071	11.6
67.05516	69.2
69.07070	50.5
69.46842	30.7
69.47247	10.7
74.46503	4.9
79.05492	53.9
81.03423	78.8
81.06672	5.7
81.07064	75.3
83.04968	22.5
83.08613	17.0
85.02882	6.1
86.39840	5.9
90.97827	5.3
91.05485	33.3
93.07043	53.8
95.04971	50.4
95.08601	40.9
97.06559	8.1
97.10166	7.8
98.21477	12.0
99.08076	6.0
105.07044	28.0
107.04869	6.1
107.08585	33.3
109.06515	13.8
109.10155	25.2
117.07014	6.5
119.08562	26.9
121.10142	19.2
123.08113	7.4
125.09612	12.5
131.08514	7.7
133.10130	21.1
135.08073	6.8
135.11702	17.0
137.13222	5.2
143.08609	6.1
145.10136	7.4
147.11685	17.0
149.09639	6.9
149.13211	8.9
151.11162	54.0
153.08981	6.1
157.10123	7.0
161.13231	14.3
163.14937	6.9
165.12724	11.2
179.14322	8.6
187.14783	5.5
231.21107	8.1
241.19453	11.8
259.20554	7.8
277.21680	100.0
295.22791	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	6.1
55.01877	43.2
55.05516	52.8
57.03441	5.2
57.07075	12.4
61.93099	2.5
67.05508	79.3
69.03440	5.3
69.06694	2.7
69.07072	47.1
69.96459	10.4
71.05004	8.1
71.08637	30.4
79.05495	44.3
81.03424	18.7
81.07059	81.6
81.62762	2.6
83.05000	17.7
83.08629	32.7
85.06548	5.3
85.10178	8.1
91.05492	47.3
93.07050	54.9
95.04984	20.7
95.08607	47.8
97.06536	25.0
97.10175	23.0
98.21407	3.8
99.08090	29.0
105.07039	31.4
107.04961	13.0
107.08602	35.3
109.06522	8.0
109.10161	25.8
111.08092	44.6
113.09648	12.3
117.07009	8.0
119.08584	20.9
121.06528	2.7
121.10177	22.5
123.08073	10.9
123.11740	5.8
125.09682	14.0
129.07045	4.1
131.04955	4.4
131.08571	8.2
133.10138	26.7
135.07991	3.4
135.11700	20.0
137.09581	6.4
137.13229	3.0
139.11183	9.6
143.08597	6.1
145.10141	9.6
147.11670	26.9
149.09630	11.8
149.13258	20.4
151.11217	29.2
153.12711	3.1
157.10155	6.0
159.11679	4.8
161.09692	3.3
161.13228	15.2
163.11183	12.5
163.14757	5.2
165.12767	29.5
167.14314	3.0
171.11693	6.2
173.13281	5.6
175.11180	5.9
175.14854	6.6
177.12759	3.4
179.14354	13.7
185.13258	6.4
189.11205	5.0
189.12770	3.3
194.02679	3.0
195.33681	2.4
199.14923	3.7
221.15448	3.8
231.21118	7.4
241.19501	8.9
249.22151	9.5
257.73315	2.9
259.20602	13.2
277.21655	100.0
295.04016	3.9
295.17157	2.9
295.22714	64.2
295.25836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02376	1.0
53.03945	0.3
55.05515	0.2
57.07074	0.7
58.70084	0.2
62.67910	0.2
65.03938	0.4
66.04725	0.3
67.05497	0.7
69.07077	0.3
69.19078	2.3
71.09760	0.2
75.02365	1.3
78.11020	0.2
79.01864	0.3
79.05520	0.4
81.07050	0.8
83.08633	0.2
87.00037	1.9
89.03920	6.0
90.04705	0.7
91.05482	0.6
91.14595	0.2
92.05033	0.2
93.07053	0.3
95.04959	0.3
95.08618	0.7
98.21546	0.5
99.00027	0.2
104.04994	1.0
105.03350	0.4
107.08592	0.3
109.10175	0.4
111.00020	0.7
115.04240	0.3
116.04137	0.3
116.04983	17.9
117.05766	24.0
118.06580	1.2
121.10143	0.3
123.99541	0.4
125.06024	0.3
126.01068	0.6
128.04961	12.2
129.01035	1.5
129.04431	0.5
129.05759	2.3
130.06549	0.2
131.06030	1.5
132.04453	4.7
134.06036	1.4
137.00253	0.4
138.01065	6.0
138.99524	0.4
139.00571	5.7
139.98955	0.5
141.04477	0.7
142.05267	2.0
143.06049	2.5
144.04456	7.0
146.06012	38.5
147.06331	0.3
151.00587	1.9
153.02199	0.3
156.04433	1.1
158.04800	0.3
159.05556	1.0
161.04718	3.0
167.00069	0.8
169.07646	0.3
171.05540	0.2
174.05511	6.5
175.98317	0.2
178.98663	0.3
179.00081	3.5
184.10229	0.2
185.05904	1.0
190.06520	0.9
191.07330	0.6
192.08257	0.2
199.03055	0.3
200.89890	0.2
204.08098	8.0
205.09001	2.8
206.08411	0.5
215.05962	0.3
216.06625	1.1
217.07626	1.0
218.08394	23.9
219.09166	8.1
224.02724	0.3
232.08665	3.0
233.09637	5.8
234.07912	2.1
238.04112	0.3
240.05792	1.1
241.05331	0.3
242.07115	0.4
243.07918	18.1
244.08144	0.3
251.05083	2.1
251.08870	0.2
252.04562	0.6
253.05284	35.8
254.05946	1.3
260.08249	1.6
261.08984	25.3
262.09283	0.4
266.04941	1.8
267.05588	5.0
268.06396	4.2
278.04813	0.8
279.23090	0.3
296.05853	100.0
297.06213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94780	1.5
73.72923	0.4
79.05482	1.1
80.04990	0.4
81.07052	0.5
85.06540	0.4
90.11860	0.4
91.05486	0.4
92.50964	0.4
94.06544	0.8
96.00292	0.7
97.01113	2.7
104.04986	0.8
105.05779	3.8
106.65859	0.4
107.04952	4.8
108.04498	1.0
110.63081	0.4
111.02666	0.5
121.01094	0.9
121.02895	0.4
122.06024	1.3
124.02179	0.8
124.99913	0.4
125.00604	4.4
125.52773	0.4
132.04443	2.9
133.05229	13.3
136.02153	1.7
136.07574	2.0
137.02951	1.0
138.03723	11.0
139.02094	0.6
146.06004	0.4
147.09125	0.5
148.02168	5.9
148.03972	0.6
149.00548	1.6
149.02983	0.6
152.01628	2.0
153.00058	0.5
161.04695	0.5
162.05487	1.2
163.06297	0.5
164.01720	0.4
165.02446	83.2
166.03232	17.8
166.07787	0.9
175.14999	0.4
176.01640	0.9
177.02441	0.6
178.03221	1.0
194.02713	100.0
195.03503	4.4
196.04262	6.5
208.04440	0.6
221.25478	0.4
222.02191	5.9
222.06703	0.5
237.09048	1.0
240.03244	13.1
251.04877	13.1
251.07021	0.3
265.08667	2.2
279.04358	1.1
297.05399	34.2
297.11206	3.3
298.05634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
57.03442	2.4
58.99578	3.1
62.74350	2.4
64.85210	2.3
67.05490	3.3
69.03425	6.6
69.07066	4.2
70.02750	7.9
79.05473	5.2
81.07063	7.2
83.08646	2.1
84.08121	3.1
91.05448	2.5
93.07043	4.4
95.04954	3.4
95.08603	7.2
97.06522	3.0
105.07016	4.5
107.04225	5.6
107.04954	100.0
107.08588	4.6
108.71540	2.2
109.10139	4.0
116.01672	9.1
119.08576	2.6
121.06512	4.7
121.10136	3.4
126.19096	2.5
144.09322	3.1
162.02242	2.9
194.02602	12.3
203.18126	2.5
207.07852	2.8
209.09566	3.4
237.09145	4.1
265.08636	6.1
269.08969	2.8
279.45096	2.2
291.18945	2.5
292.29022	2.4
297.05362	6.7
297.08774	2.1
297.11377	17.0
297.14505	4.1
297.18436	4.2
297.21854	3.3
299.06250	2.9
314.27438	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	297.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03939	2.3
55.01861	1.0
55.05504	1.8
57.03434	0.8
57.07076	1.0
57.59576	0.6
65.36207	0.5
67.05501	2.8
68.91512	0.6
69.07063	2.5
69.23742	5.4
77.03936	1.1
79.05471	4.1
81.03406	1.4
81.07071	4.0
83.04995	0.6
83.08613	0.8
85.06566	0.6
85.10141	0.6
91.05486	1.7
93.07039	2.4
95.04974	5.3
95.08603	2.8
97.06522	0.8
97.10200	0.8
105.04523	1.0
105.06992	1.0
107.04957	100.0
107.08595	2.4
108.05334	0.7
109.10156	1.6
117.07015	0.8
121.06532	1.4
121.10157	1.1
129.07135	0.6
130.63432	0.5
131.08554	0.9
131.84322	0.5
133.06532	1.2
133.10132	1.1
135.08055	0.7
135.11710	1.0
141.28987	0.7
143.08572	0.7
145.10146	0.7
147.11705	0.7
159.11665	1.4
173.13173	0.8
187.14911	0.7
193.05081	1.0
194.07343	0.8
196.62555	0.7
205.12308	0.8
213.82390	0.6
223.07686	0.9
237.09142	0.8
239.03384	2.0
241.12146	0.9
265.08762	1.1
269.11917	0.7
282.05240	6.5
297.07602	4.6
297.11340	3.7
297.14661	1.1
297.18365	1.3
297.22433	1.2
297.25735	3.0
300.70743	0.7
306.81229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81861	1.5
52.92765	1.9
53.03955	5.0
55.01880	2.4
55.05513	13.0
57.03429	6.3
65.03948	4.2
67.05508	68.8
69.07066	7.0
71.05003	1.9
74.15869	1.6
79.05498	61.4
81.07063	75.1
83.04992	2.6
83.08618	10.1
85.06538	4.2
91.05490	46.6
93.07049	93.5
95.04953	4.3
95.08613	89.2
97.06535	10.6
97.10172	2.6
99.08090	6.4
101.38757	1.9
105.04581	1.8
105.07038	35.5
107.08603	76.7
109.06515	5.0
109.10165	24.2
111.08105	6.9
113.09632	4.1
117.07015	16.5
119.08597	29.8
121.10149	69.5
123.08078	6.5
123.11713	2.7
125.09640	2.8
129.05437	1.9
129.07014	2.8
131.08572	41.4
133.10135	7.2
135.08058	2.4
135.11700	6.8
143.08562	3.0
144.49265	1.7
145.10135	47.5
147.11674	7.3
149.09612	2.4
157.10135	2.3
159.11653	12.5
161.13249	6.2
163.14828	3.4
171.11665	2.7
177.12718	3.3
177.16347	9.7
185.13304	1.7
187.14836	100.0
189.16406	7.2
194.38472	1.8
197.13220	1.9
205.15880	52.6
207.17371	2.1
229.67824	2.1
279.19577	12.2
297.21213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01869	2.9
55.05512	17.6
57.03425	5.1
57.07053	6.4
57.89780	1.7
61.69418	1.8
62.08958	1.9
65.03923	4.0
67.05505	74.1
67.99926	1.8
69.07067	15.7
69.74882	7.5
71.04979	3.2
71.08618	1.7
79.05492	71.2
81.07055	89.5
83.04972	3.6
83.08611	9.4
85.06534	6.0
85.10189	10.4
91.05479	45.6
93.07041	98.7
95.04988	4.8
95.08605	97.9
97.06527	12.2
97.10158	5.1
98.21464	2.1
99.08077	5.0
105.04475	2.5
105.07030	40.8
107.04948	3.5
107.08590	83.7
109.06496	7.4
109.10159	25.4
111.08076	5.9
113.09654	16.4
117.07019	13.7
119.08575	33.3
121.10142	65.3
123.08031	5.0
123.11690	3.3
125.09609	2.7
129.06975	5.5
131.08565	42.1
133.10123	20.2
135.11708	9.1
135.62848	1.6
137.09573	3.5
143.00949	2.0
143.08531	7.3
145.10112	49.1
147.11691	7.1
147.58322	1.7
149.09557	2.9
149.13245	5.1
151.11148	2.1
155.08533	2.1
157.10078	1.9
159.11691	16.1
161.13269	6.1
163.14787	3.1
167.14415	2.7
169.10101	3.3
171.11597	3.3
176.78789	1.7
177.12749	2.8
177.16367	7.9
185.13338	3.0
186.76572	1.9
187.14815	100.0
189.16333	8.3
195.11617	2.0
196.94818	2.1
201.09052	2.3
205.15872	54.9
207.17429	2.7
261.22192	3.0
279.19781	11.6
279.22888	9.7
297.11472	3.9
297.14774	3.9
297.18042	2.7
297.22299	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	297.2427
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.70749	1.9
53.03943	2.5
53.31210	1.8
55.05522	16.0
57.03440	4.2
57.07080	14.1
63.75758	2.1
65.03920	2.7
67.05508	33.7
69.07069	22.1
69.17916	24.7
71.05001	5.2
71.08638	100.0
79.05504	17.5
81.06597	3.5
81.07064	59.3
81.99957	2.6
83.04984	4.3
83.08628	20.6
85.06557	3.8
85.10186	4.9
91.05492	18.0
93.07055	22.1
95.08614	36.4
97.06517	5.4
97.10181	11.2
98.21459	5.0
98.97746	2.7
99.08098	72.6
105.07032	18.9
107.08606	19.2
109.10154	17.7
111.08057	3.4
111.11675	4.0
113.09634	3.3
117.07019	3.9
119.08603	13.9
121.10159	19.8
123.08141	3.0
123.11715	7.3
125.09607	5.1
127.11191	5.2
131.08603	10.5
133.10129	5.5
135.11713	12.8
137.13260	2.7
139.11166	2.9
141.12776	2.4
143.08525	2.7
145.10143	8.8
147.11702	46.4
149.13255	5.1
151.11237	3.9
151.14851	2.7
153.12758	4.5
157.10126	3.4
159.11705	9.3
161.13223	4.5
163.11159	8.1
163.14844	14.1
165.12772	18.1
167.14317	6.0
173.13338	10.9
177.16266	3.2
181.15883	9.1
187.11296	3.3
187.14912	5.4
201.16362	2.5
233.22632	3.5
243.21092	13.3
261.22125	18.7
261.25955	3.6
262.22806	3.2
279.20364	4.3
279.23239	48.7
297.11188	2.5
297.18585	3.7
297.21967	2.9
297.26169	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	297.2423
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03949	3.7
55.01851	10.1
55.05512	70.8
57.03421	8.4
57.07087	16.3
59.04996	4.7
65.03942	2.5
67.05508	81.8
69.03421	6.4
69.07069	57.8
69.13860	26.2
71.04990	5.8
71.08624	11.7
79.05499	38.8
81.07055	100.0
83.04970	8.2
83.08616	43.0
85.06525	8.5
91.05475	15.7
93.07047	42.6
95.08611	74.8
97.06519	12.7
97.10172	49.6
99.08087	6.2
105.07024	15.5
107.08597	42.6
107.61625	2.6
109.06519	3.7
109.10156	45.7
110.99069	2.3
111.08041	5.6
111.11688	3.8
113.09601	4.2
117.07014	7.1
119.08566	8.6
121.07525	2.5
121.10130	13.5
123.08080	2.8
123.11699	20.7
125.09625	36.8
127.11153	2.4
131.08549	9.3
133.10115	8.6
135.08054	5.6
135.11691	23.2
137.09592	3.2
137.13220	11.7
145.10133	5.4
147.11644	7.5
149.13242	6.7
151.07494	11.5
151.11218	2.8
151.14821	4.2
153.09062	4.5
153.12740	12.1
157.06523	2.7
159.11658	8.7
161.13246	4.4
162.43294	2.4
165.12700	3.1
169.15849	3.8
173.11763	6.2
173.13300	7.5
175.14821	2.7
177.12567	3.7
177.16347	3.4
183.13829	17.3
187.14783	6.3
189.11241	18.0
193.06830	2.5
201.16376	4.9
209.15314	4.5
219.68147	2.4
223.16855	4.5
233.22626	2.9
243.21109	14.3
251.23639	5.3
261.22119	30.8
279.23206	71.1
297.15009	3.1
297.18405	14.6
297.21799	3.7
297.24707	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79631	1.0
56.96570	9.6
58.41461	1.0
65.96324	1.1
71.47462	1.9
71.95263	2.4
98.97588	100.0
116.97834	2.0
116.98627	29.0
121.17797	0.9
134.99628	5.0
150.50725	0.9
172.94371	6.6
177.00995	1.7
190.95415	2.7
212.02501	1.2
214.95349	3.6
216.98643	1.7
232.96471	3.9
250.97450	1.9
255.94188	1.2
256.96432	15.3
261.03058	2.9
269.99768	1.1
273.95584	1.3
274.97516	62.5
292.98563	28.8
293.01837	1.3
297.99039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	1.0
55.05508	1.1
56.05032	1.1
56.96566	18.0
57.03436	3.4
59.04996	0.9
60.04537	0.6
60.45105	0.5
61.01152	3.8
61.02930	2.7
67.05505	1.1
67.19016	0.6
69.03429	5.6
69.91496	2.0
70.06598	5.9
70.98115	0.9
71.95262	3.2
72.08157	3.2
73.02919	2.5
75.02711	1.5
75.04492	0.7
79.05492	0.8
81.03407	2.0
81.04556	1.2
81.65118	0.5
82.69858	0.5
83.05003	0.8
83.98464	0.5
84.04507	1.1
84.08142	6.9
84.96037	1.4
85.02903	8.6
86.09705	1.9
87.04462	1.0
91.03957	0.7
91.05489	3.3
94.06568	0.8
95.04964	1.0
96.08125	0.7
97.01403	0.6
97.02896	8.1
98.06049	0.5
98.97585	100.0
99.70891	0.6
99.97921	1.2
101.00885	1.9
101.06021	1.4
102.84395	0.5
102.96874	0.9
107.04961	15.0
108.05261	1.3
108.58423	0.5
109.02884	0.9
110.06051	0.7
110.07171	2.4
110.97567	3.0
113.00803	0.6
115.02444	2.4
116.07072	1.0
116.98625	50.9
118.06559	1.6
119.01908	4.7
119.03542	0.8
119.04916	2.7
119.07076	1.2
120.08105	1.3
121.07616	1.2
122.07146	1.1
122.08387	1.4
123.04439	3.9
123.07935	1.1
124.08408	0.6
124.99148	0.6
127.03911	2.6
127.68758	0.6
128.98601	2.7
129.10234	1.2
130.93301	1.3
131.00182	0.5
131.01894	2.0
132.10199	0.6
133.03502	0.9
133.07631	1.3
134.05952	0.6
134.99663	16.6
136.06186	69.0
137.05963	4.2
138.06326	0.8
139.00751	0.5
140.00191	1.2
140.03310	0.6
141.99347	0.5
143.00130	1.0
143.01910	0.8
145.03342	1.5
145.04999	1.1
146.02390	0.7
146.99612	1.5
147.04398	4.9
147.11302	0.7
148.08665	2.1
149.04587	1.6
151.08662	0.5
152.02319	0.5
152.05736	0.7
152.07092	1.5
152.98581	0.5
153.00702	1.0
154.07188	0.6
155.08499	0.5
158.06627	1.1
158.99648	4.2
159.00833	0.6
160.06532	0.6
161.01222	1.3
161.02986	1.5
163.04231	0.8
165.08975	1.7
166.07259	22.3
166.09558	2.7
167.05687	1.1
168.03644	1.0
170.06624	0.8
170.99693	1.0
171.01373	0.6
172.94350	4.5
173.02945	1.0
174.97701	0.9
176.05539	0.6
177.00743	3.6
178.09776	2.7
179.07072	1.5
182.03415	0.7
183.05130	0.6
185.06680	0.6
188.07672	1.2
189.00749	1.1
190.95361	3.7
191.03909	1.9
193.00229	0.6
193.04532	0.6
193.09184	0.7
193.10872	9.8
194.09203	1.0
195.12418	0.7
199.04449	2.0
200.04497	1.1
201.00700	0.8
206.11110	0.6
208.04906	7.8
208.54715	0.7
208.96362	1.5
211.04639	0.6
212.02457	0.6
214.95369	1.8
215.00392	0.9
217.05530	3.7
218.03384	0.7
219.01834	1.9
219.05112	0.9
230.98389	0.7
232.96437	7.0
233.01509	6.6
235.02776	1.4
237.02769	1.7
239.11398	14.5
243.57613	0.8
244.06145	0.9
250.97586	3.3
251.02490	9.5
253.03754	1.0
256.96396	10.8
262.10840	0.6
266.05048	0.8
274.97498	72.1
275.02429	2.1
280.07108	3.6
281.15149	0.7
289.07599	2.2
292.98563	34.2
293.03549	12.6
297.99017	1.8
298.09833	3.3
298.14258	0.7
298.18500	4.8
299.09778	0.6
300.06195	0.8
309.08359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.46149	0.2
61.01154	4.9
69.14800	0.4
69.15190	1.8
70.06591	0.3
73.09129	0.2
75.02702	2.4
84.08152	0.2
86.09706	0.4
94.04034	0.5
97.02901	1.6
103.02181	0.3
110.07134	0.2
116.50662	0.2
119.03532	1.0
122.06039	0.6
129.93919	0.2
136.06192	100.0
137.06573	0.3
145.03203	1.5
145.04179	0.2
163.04248	1.5
186.16481	0.2
259.16568	0.2
287.65271	0.2
298.09680	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	299.0916
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01865	0.3
55.05513	0.6
63.76596	0.3
67.05489	0.8
69.03419	0.5
69.07055	1.2
71.08629	0.3
71.47810	0.4
79.05495	0.6
81.03428	0.3
81.07051	1.1
83.08608	0.6
91.05497	0.4
93.07042	0.6
93.45695	0.3
95.08588	0.7
97.10153	0.5
105.07016	0.7
107.08582	0.6
119.08570	0.3
121.10200	0.6
125.09617	0.7
139.11183	0.6
140.77765	0.3
141.06947	0.5
145.10161	0.4
152.06218	0.4
152.21312	0.3
153.06970	0.9
155.08528	0.3
159.11618	0.3
165.07010	0.9
166.07689	0.4
167.08543	0.4
167.78973	0.3
168.05681	0.7
169.06514	1.4
175.07510	0.3
181.06526	0.6
182.07217	0.4
183.08058	2.8
184.08852	2.0
187.07529	1.0
189.12712	0.4
195.08069	1.2
196.05208	0.7
197.05933	0.7
197.13132	0.4
199.07579	0.3
207.04308	0.4
208.05212	0.9
209.09602	0.9
210.06781	0.3
211.07530	3.7
212.08360	1.7
213.05621	0.4
223.07516	0.7
224.04704	0.9
225.05476	1.3
225.09120	0.8
226.09810	0.6
227.07024	0.6
227.10753	1.0
229.08624	1.2
236.04816	0.3
237.05455	1.7
239.07077	1.6
240.07813	1.8
240.23259	1.1
241.04965	1.3
243.10252	0.4
252.04205	1.3
253.04909	0.8
255.06512	0.7
255.10222	1.5
256.07184	1.5
263.20142	0.4
265.05011	2.7
267.06528	4.7
268.04150	0.6
268.07306	4.7
269.04474	0.8
271.09668	1.0
281.21170	0.4
283.06015	28.1
284.06750	7.5
299.09137	100.0
300.09512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
51.70765	0.6
55.01864	0.9
55.05505	1.0
57.03427	2.2
62.55256	0.6
64.99577	0.6
67.05496	1.5
69.07049	0.7
70.57328	1.2
70.57645	0.9
70.84309	0.6
79.05495	1.0
81.03359	0.9
81.07047	1.9
91.05501	1.4
93.07037	1.0
95.08617	1.5
97.06514	0.8
105.06987	1.2
107.04907	0.8
107.08583	0.7
109.10138	0.9
115.05482	0.6
117.07061	0.8
121.06506	0.8
128.06197	1.2
129.06984	1.4
131.08507	0.9
133.10184	0.8
135.07964	0.9
141.06029	0.7
141.06960	4.1
145.10197	0.8
152.06238	5.6
153.06950	2.6
155.04936	0.8
156.95171	0.6
157.06471	1.5
159.08038	1.3
162.61938	0.6
165.06993	6.3
166.07870	1.1
167.04884	1.1
167.08559	2.6
168.05724	5.0
169.06473	3.7
170.07225	0.7
171.08078	5.2
177.09134	0.7
181.06479	1.4
182.07295	3.1
183.04446	1.0
183.08075	4.5
184.05188	1.0
185.06004	7.9
186.06789	0.8
187.07510	1.2
192.05750	0.7
193.06468	1.4
194.07283	1.6
195.04456	0.9
195.08015	1.1
196.05170	2.7
197.05888	1.1
198.06702	2.4
199.07542	13.1
200.08360	3.8
201.09047	1.0
209.05939	0.9
210.06798	3.6
211.07568	4.5
212.08501	1.0
213.05466	13.1
214.06276	1.1
215.10681	1.0
221.05850	0.7
224.04678	2.2
225.05525	2.6
225.09117	5.6
226.06218	4.0
227.07027	23.9
228.07803	5.6
237.05568	0.9
238.06262	2.0
239.07040	2.1
240.07726	1.0
241.05028	4.0
241.08710	1.2
242.05557	1.2
243.10118	3.4
253.08614	8.6
255.06587	1.5
256.07306	41.4
257.08078	7.1
267.06323	0.9
271.09650	35.5
272.10001	1.4
283.06015	0.8
284.06799	2.1
285.07220	1.5
299.09137	100.0
299.16269	2.3
299.20010	3.0
300.09503	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	299.0914
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
55.05502	1.0
57.03423	0.4
57.07074	0.8
58.34587	0.4
64.52882	0.4
67.05508	0.6
69.07053	1.4
71.08629	0.7
71.48672	0.6
79.05495	0.6
81.07053	1.8
83.08605	0.9
91.05446	0.8
93.07044	0.5
95.08594	1.7
97.06561	0.6
97.10204	0.5
105.07016	0.8
106.46073	0.4
107.04912	0.5
107.08598	0.5
108.23203	0.4
109.10146	0.9
111.11784	0.5
119.08545	0.6
121.10133	0.5
125.09444	0.5
131.08493	0.6
133.10124	0.8
141.07024	0.5
147.07953	0.5
152.06146	0.6
153.07062	0.5
155.08528	0.4
158.07373	0.5
165.07028	1.0
168.05714	1.1
169.06514	1.0
170.03658	0.5
171.08014	0.7
173.13193	0.5
182.07315	0.8
183.08052	1.6
185.05948	3.9
185.13220	0.5
197.05933	1.2
199.07452	1.1
200.08440	0.8
210.06735	0.6
211.07539	0.7
212.08276	0.6
213.05455	14.7
213.07489	0.9
215.10841	0.5
224.04744	2.6
225.05493	4.9
225.08963	0.6
226.06177	0.9
227.06946	2.5
228.07727	2.3
238.06483	0.5
239.07021	0.6
240.07817	7.9
241.04958	68.8
242.05353	1.6
243.06499	0.6
243.10199	0.6
253.08498	1.8
256.07306	100.0
257.07773	1.0
267.11304	0.9
271.09647	39.5
281.26547	0.6
284.06650	0.7
299.09134	65.7
300.09595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
50.20309	0.6
53.03938	0.9
55.05498	1.7
61.26899	0.8
67.05488	2.2
68.89820	0.6
68.99794	25.4
69.03461	0.9
69.07066	3.7
69.17828	7.4
70.06574	1.0
72.67701	0.7
79.05476	3.0
81.03406	1.1
81.07050	3.5
83.04961	1.2
85.06553	0.8
91.05485	4.1
93.07033	2.5
95.08600	3.1
97.06510	1.3
98.21632	1.2
99.99475	0.6
103.05476	1.0
105.07024	3.2
107.04996	1.3
107.08582	1.9
109.10158	1.7
115.04518	0.7
115.05422	1.7
117.07004	2.1
119.08602	3.5
121.06504	1.1
121.10128	1.1
123.04459	1.4
123.08049	0.9
125.05991	0.9
126.74634	0.6
128.06157	0.7
129.07008	1.9
131.08536	2.0
133.06509	15.5
133.07495	1.0
133.10127	1.2
136.06177	0.7
137.05959	1.1
141.07007	1.4
143.07018	2.1
143.08542	1.6
145.06499	20.0
145.10106	1.4
147.04338	0.8
147.08041	0.9
147.11697	0.8
150.95280	0.7
153.06938	1.2
155.05998	1.0
155.08554	4.7
157.10077	1.7
159.08037	1.9
159.11681	1.1
161.05966	1.8
165.07004	2.0
166.07742	1.8
167.08551	1.1
169.06467	1.5
169.10117	2.0
171.04417	8.4
173.05980	4.9
173.09653	1.5
175.07466	1.2
179.08519	1.2
180.09325	2.0
181.06464	1.3
181.10123	2.6
183.08063	1.4
183.11687	1.6
185.05956	1.1
185.09596	1.0
185.13219	0.8
187.07498	1.1
191.08574	0.7
193.10083	0.8
195.04413	2.0
195.08090	2.5
196.08990	0.8
197.05986	2.6
197.09613	1.3
197.13254	0.8
198.03099	0.7
199.03854	3.6
199.07489	1.1
199.14839	0.8
201.09122	13.9
206.10905	1.0
207.08086	1.0
208.08792	3.4
209.09665	1.7
209.13179	3.8
210.10394	1.5
211.04021	0.8
211.07492	2.3
211.11218	1.0
211.14874	1.0
212.04732	3.1
213.05469	26.8
213.08757	1.3
215.06891	4.3
223.03735	1.2
223.07433	1.1
224.08315	0.8
225.05516	1.5
225.09140	2.5
225.16325	0.7
226.06244	0.9
226.09918	2.3
227.07040	15.5
227.10564	1.7
228.07741	0.8
229.08647	1.9
235.14876	1.4
237.09105	0.9
237.12764	10.1
239.07057	1.7
239.14287	6.5
241.04971	64.0
242.05214	1.7
252.11609	0.9
253.15901	2.1
255.06561	2.8
255.13817	14.1
256.07309	56.0
267.06577	0.9
267.10074	0.7
269.04446	11.5
271.09662	90.8
272.10056	1.6
281.12537	1.0
281.15372	5.1
284.06918	6.9
299.05994	3.8
299.09152	100.0
299.16431	7.7
299.20081	3.1
299.23456	1.5
300.09506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	NSC634747
Peak:m/z	Relative Intensity
55.01866	0.7
55.05494	2.2
57.07074	5.8
58.06585	2.1
64.40324	0.6
65.03925	1.3
67.05511	3.3
68.99768	0.9
69.07065	1.5
70.06594	0.6
71.08616	2.5
71.49046	0.6
79.05486	1.5
81.07056	3.7
83.04960	1.9
83.08615	0.8
85.06517	0.5
85.10168	2.1
87.05962	0.7
88.10616	0.5
89.03885	1.1
91.05491	4.7
93.07029	1.1
95.04971	0.8
95.08630	3.8
97.06512	0.7
105.07014	1.4
107.04906	1.0
107.08585	1.3
109.02876	1.3
109.06498	0.6
109.10152	3.1
111.04404	0.6
115.05389	0.6
119.04939	1.7
119.08607	1.4
121.10111	1.0
123.11689	1.1
129.05449	0.6
129.07033	0.7
131.08549	1.0
133.10088	0.8
135.08031	0.5
135.11711	1.0
137.05916	1.1
141.07007	0.8
143.01282	0.8
143.08563	0.7
145.02888	2.7
145.10152	0.8
147.00813	0.6
147.04425	2.0
147.11717	0.8
149.09618	0.7
157.06477	1.3
159.04443	2.9
159.08080	0.9
160.01561	2.7
161.05867	0.6
163.11125	0.7
165.06989	1.2
165.09108	0.7
168.05698	1.6
169.06477	1.4
171.04391	1.2
172.01587	1.0
173.02365	2.0
173.05952	0.8
175.03915	24.2
175.07507	0.9
182.07327	0.7
183.08018	0.9
183.11678	1.0
183.17445	2.1
185.05954	2.5
187.03914	1.9
187.07520	1.0
188.01050	6.5
188.04681	2.2
193.06522	0.7
197.06010	2.6
198.06743	2.9
199.07559	1.3
201.01810	2.2
201.05476	1.6
201.09216	0.6
203.03406	13.9
208.05209	0.9
209.06012	0.6
210.06760	0.9
211.07619	0.9
212.04639	0.8
212.08235	0.6
213.05475	9.4
215.03415	4.8
215.06914	1.2
216.00662	0.7
216.04176	7.6
217.04906	2.5
218.02058	1.2
222.06755	1.1
225.05417	4.1
225.09061	0.8
226.06258	6.2
227.07037	21.9
228.07773	1.2
229.04936	6.5
231.02892	61.0
233.04288	0.9
238.06192	0.9
240.23227	47.2
241.04951	1.6
241.08514	1.0
242.05766	1.0
251.07175	0.8
253.08513	0.7
255.06564	1.9
256.07312	100.0
257.07867	2.9
266.05786	3.6
267.06442	0.9
269.07993	1.0
271.09659	54.8
281.08212	3.7
281.18839	0.7
284.07053	0.7
299.09146	39.6
299.16461	1.9
299.20047	3.3
299.23474	1.1
299.30481	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
53.45551	0.3
54.42738	0.3
67.05477	0.3
68.99795	10.4
72.26862	0.3
74.08835	0.3
76.77222	0.4
81.07045	0.5
87.24828	0.3
89.25348	0.3
117.06995	0.8
145.06496	7.6
153.06975	0.3
155.06073	0.4
157.06502	0.5
159.08046	0.7
169.06496	0.7
171.04399	1.1
172.05191	0.4
172.38902	0.3
173.05949	0.7
181.06511	0.5
182.51230	0.3
183.04323	0.3
183.08002	0.6
183.11647	0.3
185.05943	2.0
188.08330	0.9
195.04384	1.0
196.05212	0.7
197.06006	1.2
199.03889	0.5
199.07542	0.4
210.06647	0.3
211.07553	0.9
212.04674	0.9
213.05481	16.5
215.06969	14.6
225.05470	0.8
226.06248	0.8
227.07045	3.4
228.07800	1.1
238.06357	0.7
239.07010	2.0
241.04974	19.7
255.06548	2.4
256.07318	84.3
257.07623	1.2
269.04428	0.6
271.09656	100.0
272.10019	1.7
284.06741	2.0
299.09152	82.7
300.09537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.128
Annotation	Callosuminin
Peak:m/z	Relative Intensity
67.05505	1.4
69.07046	0.8
70.86481	2.1
71.08648	1.0
81.07056	1.0
82.88359	0.8
83.04976	0.7
93.07051	1.0
103.64890	0.8
106.82302	0.7
109.10110	0.8
119.08614	0.9
133.93239	0.7
165.07014	2.3
174.28108	0.8
178.07762	1.2
180.90396	0.8
181.06548	1.8
182.07251	1.8
183.07994	0.9
192.05717	1.6
193.06505	1.5
194.07283	1.7
195.08144	2.0
197.09569	1.7
198.06822	1.6
203.11064	0.8
207.07985	1.2
208.08833	0.9
209.06001	2.1
210.06731	7.6
211.07481	1.6
213.09161	5.8
222.06738	1.5
223.07507	1.8
224.08269	2.3
225.09103	11.5
226.06282	2.6
235.07608	1.5
237.05418	3.4
238.06255	1.9
241.08623	17.6
241.11037	1.3
251.06795	0.9
252.07765	5.5
253.08629	16.7
255.10056	1.8
256.07394	1.2
267.10284	1.1
268.10968	45.0
269.08087	18.6
269.10947	1.7
284.10419	35.1
299.12769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1643
Annotation	Auraptene
Peak:m/z	Relative Intensity
55.05506	1.5
57.07089	1.3
65.03941	1.3
67.05508	1.6
69.07067	1.8
69.75009	7.4
73.72234	1.0
79.05476	2.2
81.07053	12.0
91.05502	7.0
95.08607	6.1
101.91553	1.4
107.04971	14.3
119.04953	10.2
137.13255	3.7
149.97874	1.1
163.03912	100.0
189.05438	2.2
201.05573	2.3
215.07130	3.4
299.09125	1.3
299.16788	5.4
299.19595	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2582
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05514	8.1
57.03156	1.0
57.03440	22.4
57.07078	64.6
67.05509	11.4
69.07072	15.0
69.87868	1.7
71.05000	0.6
71.08633	42.5
75.04491	0.6
76.26650	0.4
79.05508	1.4
81.07057	16.8
83.04969	0.6
83.08619	10.8
85.06541	1.0
85.10184	20.7
88.59682	0.5
89.06036	3.7
91.05480	0.7
93.07058	1.4
95.08607	24.6
97.06557	0.7
97.10173	4.5
97.52150	0.4
98.21431	0.5
99.11750	1.2
103.07575	2.5
105.07075	0.6
107.08619	0.6
109.02715	0.5
109.10155	12.3
111.11734	2.8
113.13271	0.6
117.09150	0.7
121.10104	0.7
123.11717	5.2
125.09603	0.5
125.13276	1.3
135.11707	0.4
137.13255	2.0
145.12213	0.5
151.14812	1.3
153.22414	0.5
157.10042	0.6
159.96840	0.4
178.85417	0.5
213.09026	0.4
225.22108	5.5
241.08693	0.7
243.23224	8.4
253.08493	0.8
256.07315	0.6
261.24332	0.5
262.75449	0.5
268.10965	1.0
269.07935	0.8
284.10477	1.2
299.09186	1.0
299.12741	3.3
299.25812	100.0
300.09995	0.8
300.26144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.258
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05519	9.2
57.03437	26.3
57.07077	65.9
67.05188	1.2
67.05510	16.4
69.07071	14.3
71.05016	1.2
71.08633	43.0
71.48312	1.6
79.05480	3.1
81.07058	21.6
83.04989	1.4
83.08629	10.6
85.10191	23.4
89.06043	5.6
91.05516	1.5
93.07039	4.2
95.08607	29.6
97.06523	3.9
97.10163	5.0
99.11694	1.2
103.07578	2.6
105.07022	2.5
107.08595	3.3
109.10165	13.7
111.08098	1.4
111.11716	3.6
119.08563	1.6
121.10130	1.8
123.11707	4.7
125.13245	1.0
131.08556	2.4
135.11745	1.6
143.08640	1.6
155.08559	1.5
156.70891	1.2
157.10056	1.1
159.11696	1.4
199.11206	1.7
225.22174	7.9
243.23181	9.6
247.06699	1.1
256.07306	2.5
268.11029	1.7
271.09726	3.1
282.27872	1.8
284.25778	1.6
288.81442	1.2
299.05960	2.3
299.09235	4.7
299.12708	2.7
299.20209	4.4
299.25830	100.0
300.29077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15018	1.0
70.92147	1.5
70.92485	2.0
82.65445	0.9
107.04958	100.0
113.53937	0.9
183.79318	1.0
283.08191	2.2
300.10767	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	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05416	0.8
57.03342	0.6
57.03587	0.6
65.03872	0.4
67.05386	2.1
69.06957	0.9
69.07296	0.5
71.04864	2.1
73.22202	0.4
79.05361	1.5
79.05762	0.6
81.06918	3.4
81.07436	0.6
83.04893	0.4
83.08523	0.7
85.02785	0.4
85.06435	0.4
89.03786	0.3
91.05349	3.0
93.06898	3.0
95.04868	0.7
95.08466	2.0
97.06382	1.5
98.08826	0.3
102.59599	0.3
105.06886	2.7
107.04797	1.3
107.05433	0.4
107.08441	1.9
109.06416	0.5
109.10024	1.6
111.07970	0.6
117.06912	0.5
119.08434	1.6
119.30486	0.4
121.02773	0.4
121.06380	0.7
121.10125	1.8
123.04351	0.3
123.11592	0.7
124.50068	0.3
129.06897	0.5
131.04785	0.6
131.08441	1.4
133.06398	0.5
133.09956	1.7
135.04300	0.4
135.11597	0.4
137.05905	0.5
137.09520	0.6
141.06944	0.5
143.08444	0.5
144.05534	0.4
145.06334	1.2
145.10037	0.9
147.07898	0.4
147.11597	0.7
149.05865	0.9
149.09492	0.7
149.13272	1.7
151.07417	0.4
151.11125	0.5
152.06108	0.7
153.01837	1.7
153.06822	1.6
153.10930	0.4
155.08528	0.4
157.06433	0.6
157.10071	0.8
159.07935	1.3
159.11563	1.1
161.09506	0.5
161.13177	0.5
164.88499	0.4
165.06880	1.1
165.09096	2.9
167.08525	0.6
168.05573	0.4
169.06310	0.7
170.07224	0.4
171.07956	0.6
173.09544	0.9
173.13205	0.5
175.07445	0.5
175.54619	0.4
175.56245	0.4
177.05328	0.4
177.12625	0.6
177.98177	0.4
181.06482	3.3
182.06982	0.5
183.07971	1.0
187.07462	1.0
187.13200	0.5
191.10573	1.1
195.07979	1.0
196.05183	0.6
197.05882	1.4
198.06628	1.4
199.07404	0.9
201.08951	0.5
205.08539	0.6
205.12244	3.2
209.05856	0.8
210.06735	0.6
213.09047	1.0
213.16322	0.4
217.04861	0.5
223.07372	0.5
225.05376	0.6
226.06345	1.9
227.06934	1.2
229.04948	2.5
237.05363	0.5
241.04889	0.4
241.08574	2.6
255.06422	0.7
255.11201	1.1
255.17560	0.5
257.04459	1.2
257.17410	0.6
258.05255	40.8
259.05627	0.8
269.08102	2.9
269.17413	0.8
273.03967	0.5
283.05984	0.4
283.10715	0.5
286.04730	55.5
287.05255	0.6
301.07101	100.0
301.10638	9.6
301.14377	2.4
301.21622	3.4
301.25146	0.8
302.07413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.40742	0.9
54.58624	1.0
55.01860	2.3
55.28497	1.0
59.38482	1.1
60.37531	1.0
67.05501	1.7
70.73136	2.4
78.99004	1.2
81.07048	1.7
85.02905	2.4
89.21860	1.2
91.05489	2.9
105.07062	1.7
107.04933	2.1
117.07103	1.4
118.40205	1.2
128.06209	1.7
131.08543	1.7
141.06973	3.6
142.07794	2.8
143.08556	1.6
145.06525	2.2
147.04362	7.5
152.06221	9.5
153.07001	24.8
154.07730	1.2
155.04916	1.6
155.08533	4.4
157.06541	3.7
159.08081	2.0
165.07019	9.5
167.04984	1.3
167.08591	4.7
168.05681	2.3
169.06476	9.3
170.07281	12.0
171.08049	3.2
172.05257	1.2
180.05737	3.3
181.06491	36.4
182.07253	11.2
183.08040	8.2
185.06067	1.4
185.09641	4.2
187.07545	20.0
195.08032	10.0
197.05978	17.7
198.06773	34.1
199.07613	8.8
209.06033	9.2
210.06752	5.1
211.07550	7.4
212.08270	2.8
213.05719	2.5
213.09109	33.3
215.07043	25.8
223.07495	5.2
224.08365	2.0
225.05484	14.6
226.06250	16.2
227.07036	16.8
229.08601	2.9
230.09271	2.2
239.06981	6.8
240.07880	4.1
241.08600	98.7
241.70976	1.3
242.09378	16.9
243.06532	21.4
245.11667	2.4
251.07039	2.2
253.04909	2.7
254.05751	23.0
255.06509	7.6
257.08066	3.3
258.08878	22.1
268.07269	2.8
269.08102	57.9
270.08813	5.3
271.06088	7.7
272.10449	3.3
273.11279	9.6
285.07587	2.0
286.05112	2.6
286.08365	36.7
301.07315	4.5
301.10712	100.0
301.21640	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.23782	1.2
55.01869	1.9
59.21050	1.4
69.88766	1.3
70.04295	2.3
70.04685	2.7
77.01656	1.1
85.02885	1.9
86.93813	1.5
91.05464	1.7
115.05441	1.6
128.06207	2.0
133.10158	1.4
141.07007	3.5
142.07779	3.3
145.06456	1.9
147.04428	6.2
152.06198	8.4
153.06999	23.5
154.07716	1.2
155.04938	2.6
155.08536	2.8
157.06494	2.9
165.07025	5.6
167.08554	4.3
168.05760	3.0
169.06508	10.4
170.07233	12.7
171.08047	3.4
177.07040	2.1
180.05670	2.5
181.06488	37.3
182.07275	15.3
183.04456	2.9
183.08035	4.0
184.05214	1.6
185.05855	1.8
185.09645	4.8
187.07558	16.8
195.08035	9.9
196.05215	1.7
197.05991	16.8
198.06773	33.5
199.07564	11.2
200.04836	1.7
209.06056	9.3
210.06796	2.9
211.07607	6.8
212.08293	3.5
213.05721	2.8
213.09120	37.2
215.05132	1.6
215.07057	28.7
223.07558	2.8
225.05479	14.8
226.06273	18.9
227.07057	13.5
229.08575	2.6
230.09454	2.7
239.07043	8.7
240.07800	5.7
241.08614	97.1
242.09355	15.7
243.06566	20.8
244.64696	1.2
253.04906	2.5
254.05782	22.1
255.06432	8.7
257.08160	3.2
258.08936	24.1
268.07510	2.1
269.08102	53.9
270.08801	5.1
271.05966	7.5
272.10309	3.3
273.11227	11.8
285.07574	2.0
286.08371	37.5
287.08838	1.6
297.68555	1.4
301.10718	100.0
301.21542	2.4
302.11319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1184
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.05395	0.3
59.98604	0.3
62.77849	0.3
65.03844	1.6
65.04210	0.7
67.05395	0.9
67.05721	0.3
79.05397	0.6
81.06931	1.2
82.02863	0.3
91.05368	1.1
92.04886	2.4
93.03352	0.4
93.06934	0.8
94.06465	0.5
95.04875	0.5
95.08515	0.5
97.06433	0.5
105.06937	0.6
106.06475	0.4
107.04847	0.6
107.08492	0.5
108.04385	0.3
108.08044	0.4
109.10083	0.3
110.06004	0.3
115.05333	0.3
117.05598	0.4
117.06959	0.4
118.06413	0.4
120.04474	2.1
121.06390	0.3
122.05934	1.0
128.06187	0.6
129.06895	0.3
130.06424	0.5
130.67010	0.3
131.08453	0.3
133.10017	0.4
134.05920	0.5
136.07594	2.2
137.09537	0.4
141.06897	0.5
142.06415	0.3
142.07672	0.5
143.07236	0.3
143.08438	0.5
144.08002	0.6
146.05946	0.5
148.03864	0.4
149.13144	0.6
152.06136	0.4
153.06889	0.9
154.06416	0.9
154.07660	0.7
155.08470	0.4
156.07944	0.8
157.08864	0.4
157.10085	0.4
159.07924	0.4
159.09142	0.5
159.11656	0.3
160.07527	0.6
161.07027	0.4
161.09488	0.3
162.05400	1.0
165.06926	1.2
165.09010	1.3
167.07220	1.7
167.08530	0.9
168.08083	1.3
169.07610	0.5
169.08791	1.1
169.10104	0.6
170.05968	0.3
170.08319	1.0
170.09599	0.8
171.09129	0.5
171.10400	0.3
172.07504	0.9
172.11172	0.5
173.07024	0.7
173.08356	0.5
174.09116	0.4
180.07970	0.4
181.06300	0.5
181.08870	0.6
182.05974	0.3
182.09665	3.3
183.06764	0.4
183.09190	2.6
184.07529	0.5
184.09883	3.1
184.11241	1.1
185.07033	0.5
185.10666	0.7
185.12045	0.3
186.09074	0.6
187.08720	2.3
189.10129	0.4
192.07942	0.4
194.08247	0.4
194.09720	0.4
195.06699	0.4
196.07477	0.8
197.06944	2.3
197.08441	0.9
197.10725	0.6
198.07764	2.2
199.08545	1.2
199.12332	6.5
200.10730	0.5
205.12222	1.2
208.07487	0.3
209.10649	1.0
210.09164	6.5
211.08644	5.6
212.09280	11.2
213.06677	0.6
213.10284	3.4
215.06805	0.3
217.05055	0.3
223.08661	0.4
225.06743	2.3
225.10240	1.6
226.07365	1.5
226.11003	1.2
227.08110	0.8
227.11797	26.8
228.10167	0.6
237.10246	2.2
238.08615	2.1
239.08179	3.0
240.08936	12.4
241.09772	9.4
253.09766	0.7
254.10564	0.7
255.11292	100.0
256.11523	1.5
257.12869	2.6
259.06070	0.3
273.12436	0.8
283.10794	16.3
301.11850	18.8
301.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1435
Annotation	Callosumin
Peak:m/z	Relative Intensity
51.01810	0.8
55.05504	1.8
56.85480	0.8
57.07074	1.6
61.65007	0.8
67.05490	1.5
69.07054	1.1
69.18520	4.5
69.18951	3.2
70.06578	3.1
71.08620	1.4
79.05472	0.9
81.07037	1.3
83.08584	0.9
88.07637	4.0
91.05471	1.0
95.08611	0.8
95.79829	0.8
102.09179	1.2
105.07021	1.5
106.08666	2.2
107.04954	4.4
107.08580	1.3
111.91209	0.8
145.06441	1.3
145.10124	1.5
147.11697	1.0
159.08028	1.0
159.11687	1.2
165.06995	2.3
167.08604	1.1
177.06932	0.8
178.07747	0.8
181.06490	1.0
183.08006	2.3
194.07358	0.9
195.08043	7.5
196.08920	3.7
197.09627	2.3
198.06784	1.2
202.37451	0.8
209.09659	2.6
211.07541	6.0
212.08292	6.5
213.09035	2.2
215.10518	1.1
223.07559	3.1
224.08264	3.9
225.09113	4.8
226.09813	3.0
227.07181	1.1
227.10654	20.3
233.04541	1.2
238.09972	1.6
239.07114	5.3
239.10674	5.2
240.07761	1.7
240.11705	1.3
241.08557	2.3
243.10057	8.7
249.21275	0.8
253.08658	3.0
254.09361	5.6
255.10155	46.9
256.10590	1.7
257.11749	0.9
258.12198	2.8
269.11746	6.4
270.12515	88.3
271.09662	9.8
271.12988	2.3
283.28122	1.2
284.29630	1.3
285.11246	2.6
286.11945	31.0
301.07080	2.2
301.14310	100.0
301.21368	4.0
302.14597	1.6
302.30542	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.6
61.02930	1.3
65.03929	2.4
66.93312	1.0
67.05505	35.3
67.59924	1.0
69.03432	18.3
69.07059	7.0
71.21203	1.7
72.08157	1.7
72.55828	1.3
73.02923	1.1
78.67471	1.2
81.03420	4.8
84.04519	2.7
84.08141	2.7
85.02909	40.4
86.09703	3.8
94.06570	2.3
95.04969	53.3
97.02895	38.1
99.04461	2.5
103.03937	3.9
109.02867	9.8
112.07607	33.5
113.05997	3.2
122.06004	2.3
124.07552	1.3
127.03890	9.0
130.05008	4.0
136.07608	3.4
140.07069	100.0
141.07445	1.2
145.04990	3.0
147.07657	3.1
152.07063	1.8
154.08609	7.3
164.49612	1.2
178.08620	3.3
182.08134	61.6
196.91003	1.2
206.08118	15.6
218.08205	1.6
227.85823	1.2
236.09230	3.4
248.09190	10.8
302.12466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
57.03423	6.9
67.05500	8.4
67.19639	3.4
69.03416	12.3
70.04678	14.2
72.08158	99.4
79.05513	7.8
81.03414	5.9
81.07068	7.5
84.08180	5.3
84.92531	3.7
85.02444	5.8
85.02911	84.3
86.09705	30.2
95.04967	7.7
97.02890	46.0
103.03976	5.2
108.08110	15.7
109.02889	11.9
119.33104	3.6
122.06001	7.0
125.05972	6.1
126.05534	8.2
127.03928	20.6
132.10202	12.0
136.07574	22.1
140.07076	48.7
143.11801	45.2
145.05000	10.8
150.09172	4.3
152.07109	20.1
154.08603	7.1
157.13330	9.6
163.06216	3.9
164.07086	17.7
171.11337	25.6
178.08601	17.5
182.08154	100.0
203.13849	6.9
206.08147	40.1
223.37352	4.3
236.09137	4.8
248.09216	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03412	3.5
53.03947	4.9
55.01878	4.4
55.05509	4.8
57.03447	4.6
61.02925	6.8
67.04440	3.9
67.05498	8.0
69.03423	16.1
69.41682	16.0
69.42108	13.3
70.06607	6.9
72.08154	60.8
76.70026	3.7
79.05494	6.3
81.03410	8.6
81.07064	9.9
84.08142	6.2
85.02444	7.1
85.02911	100.0
86.09699	26.6
90.99045	3.5
95.04957	5.3
97.02902	44.3
101.09598	4.3
108.08128	12.7
109.02863	11.5
122.06053	10.8
125.06011	8.3
126.05490	8.2
126.09177	7.4
126.27678	4.0
127.03914	15.8
132.10239	7.9
136.07610	19.9
140.07094	49.8
143.11812	31.9
143.12762	5.6
145.04974	12.3
150.09216	7.0
152.07097	22.6
154.08632	9.3
164.07085	16.6
171.11366	11.7
178.08635	15.4
182.08139	89.6
206.08121	34.4
244.46399	5.0
248.09259	7.6
290.84354	4.9
310.36655	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01872	2.4
55.05529	1.6
55.30504	1.2
57.03432	3.3
61.02924	2.0
65.03927	3.2
67.05504	39.4
69.03434	16.6
69.07069	10.0
70.06599	3.3
71.43488	2.1
72.08161	7.9
79.46858	1.4
81.03410	5.8
84.04493	3.1
84.08143	6.3
85.02907	43.0
86.09710	6.0
94.06591	2.6
95.04971	55.8
97.02891	42.2
99.04472	1.6
103.03928	5.0
109.02892	9.2
112.07607	41.1
112.08423	2.2
112.08726	1.6
113.06000	3.8
122.06013	3.9
124.07626	2.4
127.03908	7.8
129.10228	3.6
136.07611	1.8
140.07065	100.0
145.04973	3.6
147.07646	1.3
154.08598	6.4
178.08614	4.4
182.08134	72.8
189.30646	1.4
206.08144	14.7
218.08153	3.2
236.09155	3.2
248.09160	9.7
250.17014	3.6
282.17899	1.5
284.11252	1.4
302.12494	2.5
303.04968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40483	0.4
51.49086	0.5
67.05502	0.5
69.03427	0.8
69.07069	0.6
70.06596	1.4
70.51793	1.2
72.08154	1.1
75.05563	0.7
77.59584	0.5
81.07056	0.6
82.92065	0.4
84.08139	0.7
85.02904	3.9
86.09705	100.0
87.10047	0.9
91.05461	0.7
95.04974	0.5
97.02898	1.0
105.07032	0.6
121.10170	0.5
127.03886	0.9
129.10197	0.5
132.10193	9.7
137.06027	0.5
143.11795	68.9
144.12137	0.8
145.04956	1.5
153.06956	0.5
171.11282	16.6
189.12526	0.6
245.18562	0.8
250.17050	1.0
302.04022	0.6
302.10818	1.0
303.04877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Leu Gly Leu
Peak:m/z	Relative Intensity
54.31214	0.2
68.70146	0.3
69.07066	1.1
70.06592	1.0
70.98182	0.2
70.98548	0.5
72.07801	0.2
72.08144	1.2
81.86909	0.2
83.59024	0.2
84.08141	0.7
85.02892	0.3
86.09708	100.0
87.10008	0.4
93.03402	0.3
95.04971	0.2
96.79573	0.2
97.02864	0.3
99.40572	0.2
107.04967	0.4
132.10207	12.4
140.07066	0.3
143.10646	0.3
143.10869	0.2
143.11803	10.4
153.01836	0.7
171.11290	12.8
189.12354	12.2
206.19432	0.3
250.17267	0.6
257.18686	0.7
301.43185	0.4
302.04248	1.0
302.11346	0.4
302.20834	1.1
303.05142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
55.05514	6.6
56.05020	0.8
60.04551	0.6
67.05502	0.8
67.21320	0.6
70.06606	3.0
70.53498	1.8
71.73758	0.6
72.08159	100.0
82.58941	0.5
84.08151	2.0
85.02910	2.6
85.06521	0.7
86.09709	29.6
98.06084	0.7
100.07632	1.0
102.78840	0.6
107.04973	1.1
110.07176	1.2
112.19527	0.5
115.36568	0.5
118.08691	0.8
120.08114	0.5
129.10242	0.8
132.10210	6.3
136.07639	0.7
140.07115	1.0
143.11804	62.5
157.13376	9.2
171.11299	26.0
171.12730	1.2
182.08188	2.7
185.12863	4.0
189.12346	1.1
199.11798	0.7
203.13980	1.6
206.08179	0.9
231.17009	3.0
250.17253	1.3
250.67506	0.8
257.04532	1.1
302.03851	1.0
302.12280	0.7
303.05106	1.7
306.28336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.01881	0.4
55.05516	0.4
56.05042	0.6
59.51881	0.3
60.04530	0.9
67.05507	0.8
68.99802	1.3
69.03429	0.4
69.07062	0.6
69.81002	1.6
70.06591	3.6
72.08159	4.0
74.06070	0.7
76.04013	0.4
81.03432	0.7
84.04529	0.7
84.08150	3.6
85.02927	0.5
86.09711	100.0
91.05524	0.4
95.04982	1.1
95.06089	0.3
97.02876	0.6
98.20852	0.4
106.05055	0.5
106.18271	0.3
107.04972	0.8
108.42023	0.3
109.02871	0.6
110.07128	0.3
111.00815	1.0
115.08685	0.7
117.80662	0.3
121.02883	0.7
122.06044	0.7
127.03934	0.9
129.10211	2.0
135.04404	0.3
137.02361	5.0
137.03395	0.4
140.07076	1.1
145.06488	0.4
149.02377	0.4
152.07047	0.4
153.01836	5.6
157.09726	0.4
157.13400	0.9
161.05948	0.6
163.03906	0.9
165.01866	2.0
173.05980	0.7
173.12912	0.4
177.05501	0.4
182.08138	0.8
183.02870	0.7
183.04433	0.4
187.03934	0.6
189.12352	8.4
191.03381	0.4
199.18063	28.5
201.05551	2.1
206.07895	0.4
227.17545	8.9
228.15865	0.6
229.04979	4.9
240.03839	0.3
247.06032	0.7
250.17148	1.5
250.67313	0.7
257.04468	3.1
274.04678	1.3
285.03995	1.3
301.68527	0.3
302.03970	1.0
302.11493	0.6
302.21704	0.4
303.05008	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.82035	0.5
53.63366	0.6
55.05515	3.9
56.05030	1.1
57.07085	9.5
58.06594	1.1
60.04529	38.1
60.63149	0.5
67.05507	6.4
69.07074	4.9
70.06596	11.9
71.04982	1.1
71.08629	3.1
71.33458	1.3
73.72604	0.6
81.07061	6.8
83.08625	3.2
85.10165	1.7
88.07114	0.7
88.07639	12.9
95.08617	7.2
97.10148	2.3
102.09174	3.9
106.08665	7.0
109.10172	4.0
113.50436	0.7
119.66656	0.6
123.11696	1.0
153.90594	0.6
171.36351	0.6
240.26840	1.5
254.28447	8.1
258.27863	0.8
266.28430	4.5
284.29495	41.5
285.30103	0.6
302.30545	100.0
303.30835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43511	0.4
56.53873	0.4
56.96564	1.5
68.08555	0.4
70.98784	0.7
70.99121	0.9
82.99868	0.7
98.97591	14.3
101.00880	3.7
102.96871	0.5
116.98618	5.1
119.01935	5.0
134.99651	1.8
137.02872	0.5
140.98824	1.0
157.42616	0.5
158.99899	3.2
177.00972	10.2
178.01086	0.5
179.00694	0.5
182.99971	1.2
185.35747	0.4
201.00919	4.6
217.04073	2.6
218.04036	0.6
219.02022	19.7
220.02094	0.9
221.01863	1.2
225.00868	2.7
232.52666	0.5
243.02005	12.9
244.02184	0.7
261.03079	100.0
261.97098	0.7
262.03220	6.6
278.97583	0.6
279.00552	3.1
279.98132	1.5
283.00031	0.5
284.04596	1.2
284.99805	2.4
285.04550	0.7
302.97620	0.5
303.01205	2.8
303.04825	2.3
303.08389	0.5
320.97931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03943	0.2
55.01859	0.4
57.15829	0.2
61.41793	0.2
64.04980	0.2
65.03938	0.6
67.01864	0.5
68.99791	2.2
69.03422	0.2
69.59265	0.3
69.59669	0.8
70.06600	0.2
71.01355	0.2
73.65036	0.2
81.03422	0.7
84.60216	0.2
86.09701	0.9
87.10028	0.4
93.03385	0.5
95.04962	0.8
105.03390	0.3
107.04935	0.3
109.02859	1.0
111.00818	1.7
117.07022	0.4
121.02872	2.1
123.04447	0.9
127.03922	1.2
131.04904	0.2
133.15178	0.2
135.04428	0.6
137.02354	9.6
137.03421	0.8
137.05916	0.2
145.06458	0.6
149.02347	0.9
151.03876	0.3
153.01839	9.7
155.04890	0.8
161.06026	0.6
163.03940	1.4
165.01846	3.8
166.02637	0.7
171.02991	0.2
173.06015	1.5
177.01744	0.3
177.05478	0.4
179.03423	0.4
183.02867	1.4
183.04433	0.9
187.03905	1.2
191.03465	0.2
195.02940	0.3
200.04678	0.3
201.05475	3.8
205.04933	0.6
211.03899	0.3
211.71016	0.2
215.03297	0.3
219.02895	0.4
219.06546	0.6
228.04221	0.6
229.04968	9.1
230.05435	0.2
231.03107	0.2
233.04398	0.2
233.47273	0.2
239.03458	0.5
247.06004	1.2
257.04471	4.3
274.04721	1.5
275.05548	0.4
285.03973	2.5
285.12476	0.3
303.04999	100.0
304.05258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01875	0.3
56.80200	0.2
59.09708	0.2
62.14479	0.2
64.56068	0.2
65.03934	0.3
67.01846	0.3
68.02211	0.2
68.99787	2.4
70.61444	0.6
70.61809	0.3
81.03400	0.7
82.17986	0.2
93.03385	0.6
95.04985	0.6
108.75520	0.2
109.02892	1.3
110.77574	0.2
111.00826	1.6
117.07037	0.2
121.02862	1.8
123.04424	0.7
131.04919	0.4
133.06464	0.2
135.04385	0.6
137.02348	6.3
137.03372	0.4
145.06464	0.6
149.02315	0.9
153.01830	9.7
155.04880	1.1
155.06006	0.3
157.06421	0.3
158.98972	0.2
161.05969	0.6
163.03934	1.2
164.24675	0.2
165.01830	3.3
166.02560	0.5
167.03406	0.2
167.04907	0.2
173.05986	1.8
177.01802	0.3
177.05551	0.3
179.03397	0.3
183.02878	1.2
183.04442	1.0
187.03940	0.7
191.03383	0.3
195.02834	0.5
201.05458	3.7
205.05014	0.5
206.79753	0.2
210.30360	0.2
211.03827	0.3
215.91275	0.2
219.06436	0.3
228.04105	0.6
229.04968	8.6
239.03336	0.3
245.88286	0.2
247.06152	1.1
257.04456	5.0
274.04785	1.3
285.03912	2.5
303.04990	100.0
304.05325	1.4
315.96838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03967	0.3
55.01855	0.3
65.03938	1.1
67.01874	0.4
67.05491	0.6
68.99788	2.3
69.03429	0.4
70.03015	0.6
70.03424	0.5
79.05489	0.4
81.03412	0.8
81.07024	0.6
82.56319	0.2
83.89348	0.3
86.09691	0.8
88.99030	0.3
91.05488	0.7
92.04999	0.5
93.03413	0.8
93.07052	0.8
94.06550	0.3
95.04959	1.5
95.08608	0.3
103.05460	0.6
105.03390	0.3
105.07024	0.7
107.04961	3.1
107.08614	0.3
109.02868	1.2
109.06536	0.3
109.10155	0.4
111.00806	2.0
115.05420	0.3
117.07049	0.6
117.13772	0.3
119.08607	0.5
120.04488	0.3
120.08121	4.3
121.02860	2.3
121.10131	0.5
123.04423	0.7
127.03965	0.5
128.06215	0.2
129.06920	0.4
131.04930	0.8
133.10127	0.5
135.04417	0.8
135.11748	0.3
137.02357	8.8
137.03439	0.9
137.05893	0.3
138.05505	3.6
138.09161	1.7
143.08557	0.3
145.06503	0.9
145.10147	0.4
148.03909	0.7
149.02354	0.9
153.01836	11.2
155.04912	1.0
155.06042	0.3
157.06531	0.3
161.05978	0.8
163.03899	1.2
165.01848	3.9
165.07005	0.2
166.02704	0.5
166.05020	5.4
173.05991	2.2
177.05551	0.3
179.03348	0.4
183.02895	1.5
183.04445	0.9
186.12767	0.3
187.03963	1.1
191.03366	0.3
195.02974	0.4
196.09869	0.4
199.14777	0.3
200.04736	0.3
201.05479	4.7
202.12132	0.3
205.04924	0.4
207.02872	0.4
211.12476	0.4
212.10645	0.6
213.05420	0.3
214.12328	0.5
217.15785	0.3
219.02922	0.3
219.06529	0.5
228.04182	0.6
229.04973	10.8
229.13298	0.4
230.11746	0.4
233.04517	0.3
239.03394	0.8
242.11826	0.7
243.11305	0.4
245.04453	0.3
247.06050	1.5
256.08502	0.7
257.04465	5.6
257.12885	2.1
267.11301	0.6
272.11581	1.9
274.04800	1.5
274.09506	0.6
275.13812	1.2
285.03983	2.1
285.12308	3.1
285.22122	0.3
303.05005	100.0
303.13306	13.3
303.23157	1.1
304.05423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	12.7
57.03441	11.3
61.02918	20.1
69.03416	29.6
70.06596	11.0
70.22789	24.8
72.08150	18.1
73.02923	12.8
83.52404	6.7
84.04505	7.5
84.08136	21.2
85.02917	37.9
97.02895	17.9
98.97596	53.8
101.00874	8.2
103.60470	6.9
107.04964	31.2
110.01327	8.0
110.97558	18.4
119.01840	10.5
124.99057	7.0
127.03931	12.4
128.02315	17.7
129.10252	17.6
141.06577	19.6
153.01874	13.5
153.48225	8.3
158.99634	12.1
161.02864	7.6
170.03351	7.9
191.03906	24.4
200.04494	22.2
201.05637	7.7
204.02931	19.4
213.03391	32.9
219.01723	8.5
229.05046	9.3
303.04959	100.0
303.08414	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.9
68.05031	2.1
69.89872	2.2
70.06570	0.6
78.29050	0.5
78.66000	0.4
81.47429	0.4
82.82115	0.4
84.04459	1.2
85.02871	0.8
86.09676	1.0
90.41202	0.4
91.33057	0.4
95.04931	0.5
107.04938	0.8
117.89745	0.5
120.08045	1.2
122.06005	0.5
145.07562	0.8
154.02222	0.6
154.35625	0.5
161.05936	0.5
161.07143	0.5
172.09886	0.6
173.07103	2.0
175.08676	0.6
186.07855	0.7
195.09271	2.0
198.07851	1.2
198.10274	1.4
199.10997	1.9
201.10204	1.8
210.10257	0.6
213.10211	3.4
214.09770	0.7
222.10260	0.5
225.08995	0.6
226.07666	0.8
226.09760	9.2
227.10536	44.5
228.11311	12.4
228.13591	0.6
230.05342	1.0
239.10513	0.7
240.11320	44.0
241.11627	0.4
242.09277	0.7
256.10809	100.0
257.11148	1.3
268.10809	31.3
286.11862	83.5
287.12119	1.3
304.05408	9.2
304.12924	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58938	1.8
51.77837	1.3
52.60717	1.5
54.32167	1.6
55.05513	1.8
57.03436	4.4
60.04524	9.8
61.02950	3.4
69.03431	14.4
69.07072	47.8
69.77171	7.5
70.06598	2.3
71.08633	17.6
81.03425	10.5
81.72516	1.5
84.04528	3.5
84.08131	1.7
85.02911	75.3
86.02454	10.2
95.62695	1.6
96.04565	2.2
96.08135	3.3
97.00464	1.5
97.02897	51.1
97.06539	6.8
97.20308	1.7
99.04457	3.7
103.03951	5.4
105.02921	1.5
107.04987	2.4
109.02888	13.7
114.09164	21.6
127.03925	16.5
138.09149	3.3
142.08647	100.0
145.04985	7.3
153.01863	2.0
156.10207	4.2
180.10158	1.7
184.09705	82.6
208.09720	21.0
220.09663	3.4
223.07568	4.6
238.10687	2.4
250.10643	9.7
286.13010	1.8
304.05365	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
57.03437	4.1
60.04522	8.1
61.02929	4.3
63.27491	2.0
65.66272	2.1
68.80080	2.0
69.03434	16.4
69.07069	47.6
69.87581	11.6
70.06587	2.3
71.08632	21.6
80.99384	2.2
81.03418	7.6
84.04485	2.8
85.02907	65.0
85.88303	2.4
86.02418	4.0
89.74804	2.1
92.20367	2.5
96.08153	2.5
97.02892	42.9
97.06529	7.4
99.04476	3.0
100.23964	2.2
103.03955	5.0
109.02870	12.4
114.09163	17.2
115.03885	2.8
123.16880	2.1
127.03909	18.0
138.09122	3.4
142.08635	100.0
145.04953	7.2
153.01794	4.4
156.10191	3.7
184.09694	77.3
199.47156	2.1
208.09682	19.7
223.07599	9.5
250.10826	11.5
268.09613	5.4
304.05389	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	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23621	0.5
53.03946	1.8
55.05501	1.4
56.05033	1.7
56.96570	5.6
57.03426	2.4
58.06588	0.8
60.04520	0.7
60.05640	0.7
61.02932	3.2
67.05513	1.1
68.05016	0.7
69.03440	8.5
69.07073	5.3
70.02661	1.1
70.06602	9.6
71.04993	1.3
71.06930	0.6
72.08173	3.2
73.02913	1.9
74.06084	3.1
79.05495	5.8
81.03429	3.2
81.05804	3.0
81.07063	4.7
82.06583	1.5
84.04512	3.5
84.08150	2.6
84.96049	1.5
85.02444	1.1
85.02916	15.0
85.06545	0.7
85.08460	0.9
86.06083	1.7
86.09715	72.7
86.29161	0.6
87.04465	1.1
87.10058	1.1
88.03998	1.2
91.03944	1.3
91.05454	1.1
92.62112	0.7
94.06587	1.1
95.04962	1.1
96.04494	1.6
96.08141	8.1
97.02895	7.0
98.06084	1.8
98.97589	17.2
99.04461	1.7
102.05547	1.6
107.04965	30.2
108.05312	0.7
109.02888	3.3
110.06035	3.8
110.07167	3.1
110.97581	4.5
112.07571	0.8
112.08759	0.9
114.05547	2.0
115.17006	0.6
116.07075	2.5
116.13116	0.7
116.98616	4.0
119.01822	0.8
120.06612	3.5
120.08085	1.1
122.06023	1.1
123.04448	3.2
124.07602	100.0
124.99126	0.9
127.03931	4.0
128.02235	0.7
128.98599	3.8
129.02171	0.7
129.10257	2.1
130.05017	1.3
130.06580	0.7
130.08653	2.0
134.04501	1.6
136.07578	0.8
137.50761	0.6
140.07079	2.5
141.02202	1.0
141.10300	0.8
142.08647	22.1
142.09773	1.1
143.00204	1.9
143.11813	26.3
145.04958	1.9
146.02258	0.6
153.04901	1.2
155.00211	0.7
157.06142	1.0
157.13379	15.6
158.06049	0.9
158.99663	5.1
159.03334	1.9
160.03706	0.6
161.01237	1.0
161.04747	1.7
161.54884	1.0
162.05460	2.8
162.55589	0.7
170.99672	0.8
171.11304	7.9
172.94444	0.7
173.09267	2.9
175.11967	1.8
177.00694	2.9
184.09633	0.7
185.09302	4.3
185.12871	7.5
187.14447	2.3
187.33815	0.6
189.00774	0.8
191.10306	1.3
201.00745	1.9
201.12323	1.0
203.05893	1.5
215.13893	1.3
219.01793	6.9
220.02145	1.5
231.05244	1.0
234.07536	1.2
237.02791	4.3
238.03171	1.1
243.05542	0.8
268.11929	1.1
286.13525	2.2
286.17712	1.7
303.07736	1.0
304.08212	0.9
304.16556	3.5
305.09100	4.8
305.12119	1.1
309.08694	1.1
322.09067	0.9
323.10098	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	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
51.52243	0.6
53.03935	0.8
55.05516	15.3
57.05809	1.7
60.67448	0.7
67.05502	0.9
69.03438	1.7
69.07079	2.5
70.06601	7.0
71.09355	1.3
72.08158	100.0
73.08473	0.9
74.06094	0.7
81.03443	1.0
84.04513	0.8
84.08153	4.0
85.02892	3.5
86.09705	2.6
86.60157	0.8
87.90029	0.7
97.02905	2.2
98.06066	2.3
98.97578	1.0
99.09225	1.4
107.04967	6.1
110.01333	0.7
110.07153	1.0
111.07506	0.8
115.05469	1.1
116.07119	2.2
117.07029	1.1
118.06548	6.2
120.08116	3.5
124.07622	1.0
127.08707	4.0
129.10245	1.1
130.06525	6.7
132.08098	13.5
140.07170	0.9
142.06573	2.4
142.08664	2.8
144.08080	14.2
146.06012	28.9
146.07083	1.7
152.07045	1.1
159.09180	21.0
159.10388	1.4
160.07545	1.3
170.06004	7.0
177.10335	0.7
184.09712	1.8
188.07072	64.0
194.33020	0.9
198.07726	1.5
205.09737	47.6
215.94958	0.8
245.29106	0.7
252.21271	0.8
258.04849	1.6
258.16055	1.8
259.14597	1.4
287.13858	10.4
287.16846	1.0
304.05313	3.6
304.11578	1.0
304.13455	1.3
304.16617	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30078	0.5
50.46942	0.6
55.05513	4.1
56.05040	8.3
57.03438	0.9
57.07081	3.0
58.06610	0.8
58.82368	0.6
60.04531	100.0
67.05514	3.7
69.07072	4.8
69.99776	1.4
70.00180	1.3
70.06605	1.0
71.08636	1.2
71.38306	0.5
72.04521	0.8
74.06078	2.9
79.05505	1.9
81.07066	3.6
82.06598	0.9
83.08631	2.5
85.10219	1.6
86.06071	1.3
88.07647	2.0
90.05563	1.3
93.07063	1.8
95.08623	4.4
97.10194	1.4
109.10175	1.0
121.10160	0.8
144.67857	0.5
169.20415	0.5
192.98338	0.6
223.02991	0.5
238.25360	2.1
240.26857	0.9
250.25386	2.0
251.23703	1.0
256.26392	4.6
268.23520	0.8
268.26379	15.6
286.27426	16.8
298.21710	0.5
304.05212	0.7
304.28485	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	305.0631
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
56.96561	1.4
60.05614	1.0
70.06567	1.8
70.36221	2.3
72.00108	1.0
72.08152	1.2
74.06080	1.9
81.03400	1.1
84.08142	3.1
85.02913	1.3
86.09705	1.9
88.88135	0.9
98.97590	2.3
100.07649	0.9
107.04960	7.1
107.99033	0.9
108.05265	1.2
120.08086	1.3
129.10239	1.3
134.99713	0.9
136.07599	4.3
138.96407	0.9
158.06006	1.2
164.07118	1.7
199.10992	1.0
241.13428	1.4
269.12875	2.6
287.13986	2.0
305.06329	100.0
305.15222	2.8
306.06528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02541	0.3
53.04015	0.4
55.01941	0.4
55.05306	0.5
55.05592	1.9
57.07145	0.8
67.05219	0.3
67.05598	2.9
68.58474	0.3
69.03530	1.1
69.07166	3.7
69.32184	0.7
69.32605	1.9
70.04934	0.3
71.05091	1.8
79.05599	2.4
81.03481	0.3
81.06644	0.7
81.07160	8.1
83.04996	1.5
83.08723	1.2
84.08197	0.4
85.03043	0.3
85.06651	0.8
91.05589	2.8
93.07156	4.7
95.05075	1.5
95.08717	5.2
97.06643	1.1
97.10253	0.7
99.04555	0.3
102.58869	0.3
103.98376	0.3
105.07039	3.1
106.83324	0.3
107.05063	1.1
107.08598	4.7
109.06632	1.3
109.10159	3.7
111.08199	0.9
111.11800	0.5
117.07135	0.8
119.08582	2.9
121.06612	0.8
121.10153	4.9
122.06123	0.6
123.08158	0.8
123.11707	4.3
125.09731	1.1
127.11221	1.7
128.06264	0.4
129.07144	1.0
130.07832	0.3
131.08661	1.0
133.10132	2.3
135.08130	0.6
135.11702	2.8
136.07607	1.6
137.06068	0.5
137.09740	1.0
137.13362	1.1
139.11244	0.7
141.07048	0.4
142.07831	0.5
143.08656	0.6
144.05769	0.7
145.06607	0.9
145.10139	1.5
146.07359	0.4
147.04460	0.4
147.08142	0.8
147.11702	2.3
148.04808	0.6
149.09715	0.9
149.13268	2.2
151.07637	0.5
151.11276	0.7
153.07048	0.7
153.12796	0.5
155.10715	0.8
157.06612	0.8
157.10197	0.7
158.07362	0.8
159.08163	1.4
159.11818	1.2
161.05980	4.8
161.09651	0.7
161.13364	1.1
163.07607	0.4
163.11308	0.7
163.14902	0.8
164.07158	0.7
165.12854	0.8
167.10800	0.4
168.05772	0.5
170.07320	0.7
171.08139	0.8
171.11713	0.7
172.08948	1.0
173.06017	0.6
173.09766	0.4
173.13370	0.9
174.06792	1.9
174.77757	0.3
175.07539	3.8
175.11244	0.3
175.14890	0.8
177.16403	0.4
179.14380	0.4
180.07811	0.3
181.06512	0.5
182.07361	0.6
183.08217	0.5
185.06047	1.2
186.06898	0.4
187.07515	1.5
187.14909	0.4
188.08350	3.2
189.09132	3.8
189.10745	0.3
189.16446	0.9
191.10687	0.4
193.16003	0.3
195.07971	0.6
196.05263	0.4
197.06085	1.3
198.06808	2.9
199.07550	2.1
200.08388	2.0
201.09200	0.6
201.16460	1.1
202.06247	7.6
203.07024	2.7
203.10666	4.7
203.18079	0.4
207.17336	0.3
211.07634	0.4
212.08369	2.7
213.05568	1.1
213.09111	10.4
213.16455	0.6
215.07076	0.5
215.10710	0.8
217.08588	6.7
217.19579	0.4
219.17487	0.9
228.07887	2.3
230.05724	4.4
231.10155	1.0
241.08586	3.4
243.10178	6.5
245.08102	100.0
246.08430	1.1
249.18417	0.4
259.09659	2.2
259.17105	0.4
262.09924	0.4
263.08911	0.5
269.22607	1.0
287.09229	1.5
287.13672	0.6
287.23663	1.9
305.10126	10.3
305.14944	0.6
305.21320	0.6
305.24741	7.4
308.45923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1022
Annotation	Wentilactone A
Peak:m/z	Relative Intensity
53.02541	0.3
53.04015	0.4
55.01941	0.4
55.05306	0.5
55.05592	1.9
57.07145	0.8
67.05219	0.3
67.05598	2.9
68.58474	0.3
69.03530	1.1
69.07166	3.7
69.32184	0.7
69.32605	1.9
70.04934	0.3
71.05091	1.8
79.05599	2.4
81.03481	0.3
81.06644	0.7
81.07160	8.1
83.04996	1.5
83.08723	1.2
84.08197	0.4
85.03043	0.3
85.06651	0.8
91.05589	2.8
93.07156	4.7
95.05075	1.5
95.08717	5.2
97.06643	1.1
97.10253	0.7
99.04555	0.3
102.58869	0.3
103.98376	0.3
105.07039	3.1
106.83324	0.3
107.05063	1.1
107.08598	4.7
109.06632	1.3
109.10159	3.7
111.08199	0.9
111.11800	0.5
117.07135	0.8
119.08582	2.9
121.06612	0.8
121.10153	4.9
122.06123	0.6
123.08158	0.8
123.11707	4.3
125.09731	1.1
127.11221	1.7
128.06264	0.4
129.07144	1.0
130.07832	0.3
131.08661	1.0
133.10132	2.3
135.08130	0.6
135.11702	2.8
136.07607	1.6
137.06068	0.5
137.09740	1.0
137.13362	1.1
139.11244	0.7
141.07048	0.4
142.07831	0.5
143.08656	0.6
144.05769	0.7
145.06607	0.9
145.10139	1.5
146.07359	0.4
147.04460	0.4
147.08142	0.8
147.11702	2.3
148.04808	0.6
149.09715	0.9
149.13268	2.2
151.07637	0.5
151.11276	0.7
153.07048	0.7
153.12796	0.5
155.10715	0.8
157.06612	0.8
157.10197	0.7
158.07362	0.8
159.08163	1.4
159.11818	1.2
161.05980	4.8
161.09651	0.7
161.13364	1.1
163.07607	0.4
163.11308	0.7
163.14902	0.8
164.07158	0.7
165.12854	0.8
167.10800	0.4
168.05772	0.5
170.07320	0.7
171.08139	0.8
171.11713	0.7
172.08948	1.0
173.06017	0.6
173.09766	0.4
173.13370	0.9
174.06792	1.9
174.77757	0.3
175.07539	3.8
175.11244	0.3
175.14890	0.8
177.16403	0.4
179.14380	0.4
180.07811	0.3
181.06512	0.5
182.07361	0.6
183.08217	0.5
185.06047	1.2
186.06898	0.4
187.07515	1.5
187.14909	0.4
188.08350	3.2
189.09132	3.8
189.10745	0.3
189.16446	0.9
191.10687	0.4
193.16003	0.3
195.07971	0.6
196.05263	0.4
197.06085	1.3
198.06808	2.9
199.07550	2.1
200.08388	2.0
201.09200	0.6
201.16460	1.1
202.06247	7.6
203.07024	2.7
203.10666	4.7
203.18079	0.4
207.17336	0.3
211.07634	0.4
212.08369	2.7
213.05568	1.1
213.09111	10.4
213.16455	0.6
215.07076	0.5
215.10710	0.8
217.08588	6.7
217.19579	0.4
219.17487	0.9
228.07887	2.3
230.05724	4.4
231.10155	1.0
241.08586	3.4
243.10178	6.5
245.08102	100.0
246.08430	1.1
249.18417	0.4
259.09659	2.2
259.17105	0.4
262.09924	0.4
263.08911	0.5
269.22607	1.0
287.09229	1.5
287.13672	0.6
287.23663	1.9
305.10126	10.3
305.14944	0.6
305.21320	0.6
305.24741	7.4
308.45923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	Wentilactone A
Peak:m/z	Relative Intensity
55.01867	1.7
55.05495	2.3
57.07069	1.0
60.31303	0.8
67.05486	1.8
69.03428	1.9
69.07056	2.2
69.31990	4.2
69.32414	2.6
71.04996	1.3
79.05484	1.7
81.07055	6.7
83.08598	1.0
91.05476	3.7
93.07040	3.7
94.51933	0.8
95.04945	2.2
95.08602	3.7
97.06557	0.8
101.06005	4.4
103.05463	6.4
105.07024	3.8
107.04950	2.2
107.08585	3.9
109.06503	1.4
109.10158	2.0
115.05475	1.5
119.04922	0.9
119.08561	2.8
119.80708	0.7
121.06525	1.5
121.10140	2.6
123.08045	1.0
123.11677	1.9
125.02361	2.8
125.09642	1.1
128.06206	2.8
129.05481	21.0
129.07002	3.5
131.04939	4.1
131.08543	1.3
133.10025	1.1
135.07974	0.8
135.11702	1.5
141.07021	1.6
143.04878	1.3
144.05707	4.7
145.06500	2.5
145.10101	1.7
146.07237	2.1
147.08063	1.1
147.11658	1.5
149.05994	22.7
149.13249	1.2
156.05707	1.8
157.06468	2.8
158.07283	5.7
159.04425	2.0
159.05591	2.6
159.08073	2.3
161.05995	2.7
161.09633	6.3
161.13257	1.4
165.07002	1.0
168.05740	1.8
171.04390	3.2
171.08054	2.4
173.05975	1.5
174.06783	11.2
175.07564	3.7
177.05484	21.8
184.05183	4.1
185.05980	3.9
186.06754	3.2
187.07582	7.9
188.08356	6.3
189.09108	20.8
195.04414	1.9
197.05942	1.4
199.03860	1.0
199.07527	4.2
200.08354	1.7
201.05556	1.0
201.09106	6.8
202.06264	7.9
212.04681	3.4
213.05443	3.7
214.06284	1.9
215.07005	2.3
216.07895	2.4
217.08614	11.3
223.03951	2.5
227.07060	10.1
229.08643	3.0
230.05739	1.1
241.04898	1.2
244.07408	1.2
245.08101	100.0
246.08574	0.9
247.67680	0.8
255.06490	3.0
258.05258	1.0
259.09662	13.7
273.07632	8.0
273.10269	1.3
287.09146	64.4
288.09525	1.5
305.10199	39.6
305.17523	1.7
305.24689	2.5
305.28638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.05506	1.8
57.07088	0.6
67.05519	2.9
69.07086	3.2
70.32030	1.8
71.04990	1.2
77.03915	0.5
79.05499	2.3
80.05029	0.6
81.07059	6.8
91.05495	4.4
93.07049	7.5
94.06589	0.8
95.04958	3.1
95.08607	5.3
96.08142	0.9
97.06505	1.0
98.20780	0.6
105.07027	2.2
107.08603	2.7
108.04427	0.7
108.08105	1.6
109.06501	0.7
109.10142	2.1
119.08571	1.7
121.10111	3.1
122.06026	4.3
123.11716	3.7
124.07594	11.2
126.05499	1.1
128.24458	0.5
131.08525	0.6
133.10159	0.6
135.11674	1.6
135.62047	0.5
136.07584	100.0
137.07932	1.2
138.09160	2.1
140.07057	1.1
145.10117	0.7
147.11684	1.3
149.13239	0.6
150.05528	0.8
152.07072	18.7
159.11665	0.7
164.07076	71.5
166.08556	0.7
170.08133	5.1
175.14877	0.7
182.06638	1.0
182.08136	14.7
200.10693	0.7
245.13028	2.5
287.13925	6.3
287.23618	0.8
305.14883	1.4
305.24631	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
57.22876	0.3
67.05519	1.0
69.07085	0.3
70.22280	1.3
77.03949	0.5
79.05518	0.5
81.07061	1.5
83.20212	0.3
88.07302	0.3
88.43416	0.3
90.86396	0.3
91.05481	3.1
91.57735	0.4
93.05779	0.4
93.07037	3.3
94.06602	0.7
95.04983	1.2
95.08610	1.0
96.08144	0.8
105.04535	0.6
106.06551	0.4
107.04952	0.4
108.04485	0.8
108.08129	1.4
109.10136	0.4
122.06046	3.9
124.07587	9.2
126.05502	0.9
136.07579	100.0
137.07962	0.6
138.09129	0.9
140.07056	0.4
147.64635	0.3
150.05487	0.5
152.07066	16.1
164.07068	67.8
165.07362	0.3
166.08636	0.4
168.06592	0.4
170.08138	3.8
181.86136	0.4
182.08134	12.9
193.87027	0.4
201.16451	0.4
209.04581	0.4
241.94377	0.4
287.13852	3.3
305.14841	0.9
305.24686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.05506	1.8
57.07088	0.6
67.05519	2.9
69.07086	3.2
70.32030	1.8
71.04990	1.2
77.03915	0.5
79.05499	2.3
80.05029	0.6
81.07059	6.8
91.05495	4.4
93.07049	7.5
94.06589	0.8
95.04958	3.1
95.08607	5.3
96.08142	0.9
97.06505	1.0
98.20780	0.6
105.07027	2.2
107.08603	2.7
108.04427	0.7
108.08105	1.6
109.06501	0.7
109.10142	2.1
119.08571	1.7
121.10111	3.1
122.06026	4.3
123.11716	3.7
124.07594	11.2
126.05499	1.1
128.24458	0.5
131.08525	0.6
133.10159	0.6
135.11674	1.6
135.62047	0.5
136.07584	100.0
137.07932	1.2
138.09160	2.1
140.07057	1.1
145.10117	0.7
147.11684	1.3
149.13239	0.6
150.05528	0.8
152.07072	18.7
159.11665	0.7
164.07076	71.5
166.08556	0.7
170.08133	5.1
175.14877	0.7
182.06638	1.0
182.08136	14.7
200.10693	0.7
245.13028	2.5
287.13925	6.3
287.23618	0.8
305.14883	1.4
305.24631	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01870	0.7
55.05510	2.5
57.03407	0.5
57.07063	1.1
59.05000	0.4
65.03935	1.0
67.01863	0.6
67.05505	4.3
68.99792	2.0
69.03423	1.6
69.07083	3.3
70.00143	0.5
70.06579	1.6
71.04982	1.7
71.47535	0.7
75.01022	0.4
79.05489	2.6
81.03410	1.2
81.05804	0.5
81.07061	8.9
83.04995	0.8
83.08622	0.9
84.08112	0.6
85.02877	0.4
85.06553	2.0
86.09703	0.7
91.05499	3.3
93.03428	0.6
93.07053	6.6
94.06547	0.6
95.04984	3.5
95.08611	6.9
96.05261	0.5
96.08118	1.7
97.02882	0.6
97.06534	1.4
97.10127	0.6
99.04398	0.4
101.66632	0.3
103.05502	0.6
105.07040	3.4
107.04956	1.8
107.08601	5.2
108.04324	0.4
108.08159	0.4
109.02888	1.1
109.06507	1.9
109.10162	3.9
111.00803	1.2
111.08087	1.9
113.01228	0.6
117.07045	0.8
119.08599	3.2
120.08077	0.6
121.02865	1.7
121.06522	0.6
121.10150	5.3
122.03194	0.7
122.06031	2.9
123.04438	1.2
123.08061	0.8
123.11715	5.2
124.07589	4.5
125.09605	0.7
127.11208	1.3
131.04926	1.0
131.08585	1.0
132.95953	0.4
133.10127	2.0
135.08058	0.5
135.11656	2.2
136.07585	15.6
137.02350	3.6
137.03342	0.6
137.05954	0.7
137.09660	0.8
137.13245	1.1
138.02675	2.0
138.09138	10.7
139.02826	2.8
139.11160	1.4
140.07094	0.8
142.07744	0.4
143.08543	0.7
145.06514	0.6
145.10104	1.9
147.11673	2.9
149.09650	0.9
149.13289	1.9
150.05556	0.5
151.02927	0.8
151.11223	1.1
153.01859	3.7
154.02173	2.8
155.02272	4.4
155.04941	0.8
156.05289	0.5
157.05453	0.5
157.10149	0.7
159.04379	0.4
159.11720	1.0
161.05922	0.4
161.09647	0.4
161.13252	1.3
163.11176	0.7
163.14786	0.7
164.07088	18.1
165.01813	1.3
165.12807	1.0
166.02211	1.2
167.02388	1.4
169.54875	0.4
171.11703	0.8
173.05991	1.1
173.13281	1.1
174.11618	0.6
175.06496	0.9
175.14748	0.8
177.12787	0.7
182.08131	7.2
183.02950	0.5
183.04419	0.7
184.03159	0.4
185.13261	0.4
187.03995	0.8
187.14763	0.5
189.16415	0.7
199.14871	0.5
200.10719	3.1
201.05493	1.6
201.16399	1.3
202.05847	1.1
202.11005	0.9
203.06050	2.5
213.16373	0.7
214.12267	1.3
215.17955	0.5
217.13350	2.0
219.17470	1.1
228.10245	0.6
229.04932	2.6
230.05170	1.8
231.05548	7.3
231.07961	0.7
241.04152	0.5
242.11752	1.8
245.12888	8.0
249.06569	0.8
257.04333	1.3
257.11118	0.5
259.05026	4.3
259.10913	0.4
259.14355	1.4
260.12656	0.7
270.11246	0.6
276.05295	1.5
287.04715	2.1
287.10562	0.6
287.13925	12.0
287.16705	0.6
287.23602	1.4
288.12399	1.0
305.05536	100.0
305.14783	5.6
305.24719	7.9
306.05768	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05501	0.7
67.05502	1.7
69.07066	0.4
70.58031	1.0
71.04973	0.4
77.03924	0.4
79.05494	1.3
80.05029	0.4
81.03403	0.5
81.07060	2.4
91.05493	3.8
93.07054	4.9
94.06565	0.6
95.04974	2.7
95.08610	1.6
96.08128	1.1
97.06501	0.5
105.07025	0.9
107.08578	1.1
108.04431	0.5
108.08134	1.6
109.10149	1.0
119.08610	0.4
121.10097	0.4
122.06036	4.4
123.04361	0.4
123.11754	0.9
124.07590	9.5
126.05528	1.5
131.08626	0.5
133.10165	0.5
135.11688	0.5
136.07582	100.0
137.13271	0.4
138.68509	0.4
140.07074	0.8
147.11609	0.7
149.13274	0.6
150.05490	0.7
151.11156	0.4
152.07074	17.5
164.07074	71.4
165.07489	0.4
170.08163	4.2
182.08139	13.5
287.13931	4.7
305.14798	0.7
305.24667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	NSC 177499
Peak:m/z	Relative Intensity
52.15058	0.6
53.03938	0.8
55.01870	1.0
60.04532	0.7
64.76787	0.7
67.05495	2.5
69.03424	1.5
70.06599	1.3
71.04995	1.1
73.29676	0.6
79.05492	2.4
81.07076	1.6
84.08143	2.4
85.02904	1.2
85.06571	0.7
86.09702	1.1
91.05471	2.5
93.05817	1.2
93.07073	0.9
94.06567	4.9
95.04969	2.9
96.08125	1.2
96.22210	0.7
98.20781	1.4
103.05486	0.8
107.04970	1.3
107.08620	1.6
108.08118	18.7
109.06509	0.9
110.06043	7.1
113.92348	0.6
116.98570	0.8
117.05765	1.0
118.06540	6.2
119.07320	5.4
120.08099	10.3
122.06063	5.0
123.04473	0.8
123.06823	3.2
124.07595	9.3
125.09629	2.7
125.57230	0.8
131.07315	0.7
132.08131	1.1
136.07579	100.0
138.09148	1.0
140.07141	1.0
142.08640	10.9
143.10693	2.9
145.07574	0.8
146.06021	7.3
146.08446	1.7
147.06783	2.6
147.09230	1.0
148.07582	7.5
152.07065	2.7
154.08640	4.5
160.07713	1.6
161.07089	1.8
164.07069	39.0
167.10672	1.8
173.07143	0.8
173.10756	6.3
174.07878	1.1
175.08710	1.0
181.08902	3.3
182.09615	0.9
183.09148	1.6
184.09964	1.7
185.10675	0.9
195.09195	1.3
196.11188	3.4
197.10741	3.0
198.07790	2.0
198.11563	3.6
199.08636	1.1
199.12170	0.8
200.10605	0.8
201.10291	5.1
202.09010	1.3
202.11073	0.8
211.08636	4.5
211.12260	1.1
212.09460	2.1
213.10266	7.5
213.13882	3.2
214.10912	1.3
215.11775	1.0
223.12314	1.4
224.10754	3.7
225.10194	5.9
226.11020	11.1
227.11685	1.2
229.13458	1.2
239.08194	0.9
239.11861	1.8
240.08931	1.4
240.12589	3.4
241.09686	6.6
241.13347	26.6
251.11945	0.7
254.10477	3.7
259.05939	1.3
259.14432	29.4
269.12851	42.0
277.15613	1.6
277.91556	0.7
287.13907	42.3
305.14954	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.8
67.05505	2.5
70.06599	1.3
70.77171	2.1
71.04977	1.0
73.04502	0.7
75.96495	0.8
79.05495	3.2
81.07063	2.1
84.04482	1.0
84.08144	1.8
85.02937	1.7
85.06544	0.9
91.05487	2.1
91.94335	0.8
93.05766	1.0
93.07072	1.9
94.06577	5.1
95.04971	2.6
96.08137	0.9
106.06553	1.2
106.47598	0.7
107.08594	1.0
108.08125	17.1
109.06551	0.8
110.06031	6.2
118.06539	7.9
119.07330	6.2
120.08113	9.0
122.06029	5.4
123.06823	1.5
124.07595	10.9
125.09653	1.4
132.08098	1.2
133.07594	0.9
134.06021	1.3
136.07585	100.0
136.24890	0.7
138.09138	1.3
140.06998	0.9
142.08653	10.1
143.10619	0.8
144.08096	1.1
145.07576	0.9
146.06018	7.1
147.06767	2.7
147.09160	1.4
148.07591	5.9
152.07079	2.3
154.08632	3.8
159.46193	0.9
160.07568	2.0
161.07167	2.0
164.07076	37.7
166.08635	1.5
170.09648	0.8
173.10736	4.6
174.07886	1.6
174.61108	1.0
181.08900	3.0
183.09154	1.6
184.09967	2.0
185.10750	1.5
195.09126	1.8
196.11163	1.6
197.10753	3.3
198.07735	1.2
198.11505	4.4
199.08830	1.0
201.10289	5.3
202.10947	1.0
211.08681	2.4
211.12355	1.1
212.09367	1.9
212.13232	1.0
213.10271	7.9
213.13838	3.9
215.11870	1.4
223.12329	1.4
224.10725	3.4
225.10260	5.3
226.07280	0.8
226.10991	11.3
227.11789	1.3
238.75481	0.8
239.08093	1.0
239.11803	1.7
240.08905	1.4
240.12634	2.9
241.09779	6.6
241.13370	24.4
241.15733	1.7
251.11688	1.1
253.09708	0.8
254.10519	3.3
259.14423	26.2
269.12863	42.2
277.15320	1.8
287.13913	41.6
305.14954	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1749
Annotation	Rubaferin
Peak:m/z	Relative Intensity
51.02365	0.4
53.03942	0.4
55.01864	0.3
55.05501	1.0
56.96542	0.2
57.03441	0.4
57.07080	0.7
60.04544	1.8
66.67391	0.3
67.05516	2.0
69.07061	1.4
71.04971	0.4
71.08614	0.7
71.47901	0.5
77.03931	0.8
79.05494	0.9
81.07062	2.2
83.04969	0.3
83.08597	0.3
85.02897	0.3
85.06550	0.5
91.05482	1.1
93.07056	1.7
95.04966	1.2
95.08605	2.5
99.08109	0.5
105.03400	1.1
105.07024	0.7
107.04937	0.4
107.08622	1.3
109.06506	0.9
109.10146	1.3
111.04470	0.3
111.08064	0.4
117.07049	0.5
119.08594	0.6
121.06546	0.6
121.10174	1.0
123.04436	100.0
123.11742	0.6
124.04810	0.7
125.09674	0.5
129.07008	0.4
131.08563	0.3
133.10143	0.5
135.08070	0.8
135.11736	0.4
137.02403	0.3
137.06029	0.6
137.13249	0.8
139.03845	0.3
143.08575	0.7
145.06468	0.4
145.10094	0.5
147.11659	0.3
149.06024	0.5
149.13200	0.5
157.10196	0.4
161.06001	0.9
161.09657	0.4
165.12709	0.3
167.14279	0.3
171.08089	0.4
175.07593	0.8
177.09196	0.3
183.13838	3.1
189.09135	1.2
193.12253	3.7
217.08585	0.5
231.13780	0.4
245.08141	0.4
259.16962	1.7
269.15237	0.5
287.16473	2.8
287.19681	0.4
287.27942	0.4
305.05536	0.6
305.11734	1.1
305.17563	9.0
305.21091	0.8
305.24734	0.7
305.28729	0.5
310.31097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.15264	1.2
53.03939	3.7
55.01867	1.7
55.05514	10.0
57.03430	2.2
57.07079	3.0
59.04977	1.2
61.70474	1.0
65.03932	3.2
65.22273	1.2
67.05513	16.9
69.03429	2.5
69.07074	19.5
71.04996	10.4
71.08649	1.2
72.36435	1.2
75.31987	1.1
79.05499	12.1
81.03426	2.5
81.06595	2.5
81.07060	46.8
83.04976	4.6
83.08606	5.3
85.06544	3.3
91.05482	15.5
93.07050	86.1
95.04971	100.0
95.08611	32.7
97.06539	5.0
97.10182	4.3
99.08096	1.9
101.48746	1.3
103.05447	1.3
105.07040	21.7
107.04969	1.5
107.08598	25.2
109.06522	13.3
109.10146	16.6
111.08063	4.6
111.11699	2.0
117.07037	3.0
119.08585	18.8
121.06482	1.5
121.10155	22.1
123.08063	5.0
123.10841	1.4
123.11715	20.5
125.09624	3.4
127.07566	1.1
127.11169	3.7
129.07008	1.5
131.08592	6.7
131.16548	1.2
133.10136	10.2
135.08063	2.7
135.11681	10.7
136.07556	4.1
137.09634	3.9
137.13254	8.3
139.11154	5.0
141.12669	1.6
142.07898	1.2
143.08585	2.7
144.09377	2.1
145.10124	9.9
147.11717	19.9
149.09634	2.6
149.13286	8.6
151.11189	2.4
151.99628	1.1
153.12685	1.9
156.09337	1.7
157.10139	7.1
159.11684	12.4
161.13274	6.8
163.11176	3.2
163.14833	2.5
164.07079	2.2
165.12753	4.8
167.10725	1.8
171.11662	3.9
173.13263	4.8
175.14793	2.8
177.16385	2.1
185.13268	2.2
187.14796	3.2
189.16338	1.8
199.14856	3.5
201.16428	9.8
205.15912	1.8
207.17535	1.5
213.16420	5.2
215.17949	2.2
219.17456	3.0
223.17003	1.5
231.17604	2.2
245.08067	2.9
269.22659	4.0
278.60556	1.2
287.23679	15.0
305.05426	8.8
305.24765	30.7
306.26303	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03937	4.7
55.01865	5.0
55.05281	2.1
55.05516	30.2
57.03435	5.5
57.07078	10.8
59.04993	4.9
60.09905	2.1
62.19496	2.0
65.03937	3.8
67.05507	40.6
68.60264	1.9
69.03440	12.1
69.07072	52.1
70.06581	9.5
70.65948	6.5
71.04993	14.9
71.08628	4.0
79.05501	34.6
81.03410	3.1
81.07064	100.0
83.04987	12.7
83.08624	17.0
85.06564	10.5
88.07607	2.5
91.05486	30.3
92.29890	2.0
93.07046	97.5
95.04971	36.8
95.08611	81.0
95.39025	2.5
97.06522	17.4
97.10175	8.4
99.08100	5.2
103.05466	4.0
105.07037	42.9
107.04961	8.4
107.07874	4.6
107.08595	70.5
109.06515	21.4
109.10156	43.5
111.08094	16.7
111.11715	8.2
112.65791	1.9
117.06994	5.2
119.08594	41.7
121.06492	6.0
121.10149	55.7
122.06032	5.1
123.08061	8.2
123.11708	46.4
124.07528	2.9
125.09644	10.1
127.11213	6.8
128.06200	2.5
129.05504	4.8
129.06999	4.0
131.08545	13.0
132.10236	2.6
133.06444	3.8
133.10149	30.1
135.08058	3.7
135.11693	24.5
136.07581	15.7
137.09631	9.3
137.13234	10.9
138.09157	4.1
139.11179	14.9
141.12772	2.7
142.07695	4.2
143.10699	2.3
145.10133	19.9
146.11769	2.8
147.07909	2.8
147.11684	28.5
149.05934	3.4
149.09605	6.4
149.13260	27.3
151.11186	8.8
151.14853	2.6
153.12733	4.1
155.10654	2.9
157.10118	10.2
159.11729	19.1
161.06009	2.4
161.09630	6.5
161.13232	11.4
163.11162	9.1
163.14832	9.5
164.07072	8.7
165.09190	2.7
165.12799	13.2
167.07104	3.1
167.10657	9.8
167.14325	3.8
171.11697	4.9
173.13261	11.0
174.11552	3.7
175.11215	4.0
175.14830	8.5
177.12871	3.2
177.16383	7.0
185.13257	4.9
187.14751	4.9
189.16389	9.8
191.14461	2.2
191.18002	2.8
193.15921	4.1
195.17700	2.2
199.14818	5.6
200.10736	15.3
200.20099	6.8
201.16365	17.5
202.10931	4.2
203.17976	6.4
204.38208	2.0
205.15926	4.0
207.17418	3.7
213.16406	6.0
214.12199	5.2
215.18025	3.3
217.13338	6.1
217.15762	3.6
219.17514	2.7
227.17772	3.2
229.19478	4.1
231.17406	2.5
241.13243	2.4
242.11888	4.8
244.22719	14.6
245.07935	2.2
245.12892	35.9
259.09564	2.6
259.14334	3.4
259.23917	2.4
269.12897	6.0
269.22610	10.7
274.63208	2.0
287.09274	17.2
287.13910	58.9
287.23709	21.4
305.05502	10.5
305.11969	3.5
305.14984	16.3
305.24747	71.0
306.26447	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	305.2476
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03917	5.5
55.01834	1.8
55.05511	17.8
57.03389	1.7
57.07046	4.8
59.04983	2.0
60.55127	1.4
65.03922	2.2
67.05511	40.3
69.07066	22.0
69.54086	8.8
79.05495	71.7
81.03385	1.8
81.07059	44.0
83.04932	1.9
83.08626	11.1
85.06534	2.6
91.05491	31.4
93.07048	100.0
95.04915	6.2
95.08611	36.7
97.06478	3.4
97.10119	2.8
99.06242	1.4
105.04456	3.9
105.07033	17.5
107.08600	48.7
109.06451	1.6
109.10159	17.4
111.08041	2.7
115.17251	1.4
117.06906	1.6
119.08606	9.8
121.06454	2.0
121.10148	39.4
123.08086	1.6
123.11599	4.1
125.09592	3.6
131.08510	6.6
132.98775	1.5
133.06483	1.4
133.10141	9.5
135.11696	41.0
137.05907	4.7
145.10080	3.9
147.11671	7.1
149.09534	1.7
149.13257	27.8
151.32724	1.5
157.10008	2.1
159.11601	4.6
161.13150	1.7
163.14828	8.2
171.11597	2.7
173.13170	1.8
175.14752	1.6
177.16357	2.3
185.13098	1.9
189.16299	1.4
209.15199	2.0
221.15167	1.7
235.16878	3.0
245.07974	1.4
248.95442	1.6
249.18407	1.5
269.22592	1.9
287.08752	1.7
287.23434	4.6
305.05304	2.1
305.20966	11.4
305.24493	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	306.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01877	0.5
55.05500	0.5
55.93542	0.5
56.96560	0.5
57.03428	1.6
58.99566	0.5
61.02923	1.7
61.41510	0.4
65.03931	2.1
68.05038	2.5
69.03426	5.0
69.64212	2.1
70.06597	1.8
72.08148	1.4
72.93752	0.4
73.02914	2.1
76.82861	0.3
81.03407	1.6
81.07044	0.5
82.06608	0.4
83.08598	0.5
84.04494	0.6
84.08141	1.4
85.01139	2.0
85.02910	15.6
86.09707	0.8
87.04457	1.4
91.03976	0.8
93.00676	0.4
97.02906	3.8
97.32532	0.4
98.00645	2.2
99.02675	4.1
99.04472	1.2
102.05539	0.4
103.03928	0.8
107.04980	3.1
108.05328	0.5
109.02882	1.5
110.07185	0.7
113.02944	2.6
116.07074	0.4
120.07338	0.4
120.08131	1.1
120.19260	0.4
124.07616	0.7
126.03742	27.7
126.09155	1.3
127.03893	2.2
127.04554	2.2
129.10274	0.5
130.05020	0.7
130.06523	1.5
132.08139	0.5
136.07567	0.7
136.59909	0.3
137.05969	0.9
144.04787	100.0
144.10229	1.3
145.04996	2.2
151.23378	0.4
155.39534	0.4
157.07652	0.8
158.06010	1.7
159.07701	1.3
159.09157	0.7
164.07027	0.4
175.08662	0.8
183.19659	0.4
186.05847	2.8
233.30768	0.3
261.08737	0.4
288.09000	0.7
289.11865	0.4
306.06628	6.4
306.10083	11.7
306.15497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.8
56.96560	4.4
57.03445	2.0
60.04528	100.0
61.01147	1.3
65.71376	1.0
67.25414	1.1
68.05017	1.4
69.03423	3.8
70.02937	3.1
70.06604	9.3
70.43905	2.9
71.93005	1.4
72.04493	1.4
72.08157	2.5
72.93784	1.8
74.06090	15.2
76.61305	1.3
79.05484	1.3
81.03407	1.6
84.04506	19.2
84.08132	5.1
85.02900	5.2
86.09708	85.1
87.05576	4.4
91.05411	1.3
97.02888	3.3
98.97584	8.7
99.05649	1.7
101.07144	6.0
102.05548	56.7
104.05314	2.2
107.04951	9.6
109.02851	1.2
110.07200	1.5
110.09658	3.7
110.97562	2.3
116.98634	1.8
120.08096	4.4
121.54185	1.0
126.03700	1.3
127.12343	2.6
128.10660	1.4
129.06609	26.8
130.06543	4.3
132.08092	2.7
132.10205	47.6
132.11194	2.5
137.05981	4.2
144.04749	4.5
144.10191	4.4
147.07646	61.4
148.06151	1.2
155.11739	2.3
157.06102	4.2
157.07538	1.7
158.06009	3.1
158.99648	1.8
159.09195	4.1
168.62538	1.1
172.21945	1.3
173.12860	10.3
175.07162	60.6
183.11307	7.8
201.12314	6.1
203.12132	2.4
219.01747	2.5
219.11261	1.6
219.13397	29.4
226.01273	1.3
229.11836	4.6
237.02734	2.6
258.06583	2.0
258.14407	1.2
261.08807	1.7
270.14413	2.8
282.07587	4.1
288.15479	9.9
289.12015	1.6
306.16379	5.6
307.13129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	0.4
65.09017	0.5
67.05515	0.7
67.41930	0.4
69.07064	0.9
70.73415	1.0
70.73759	0.6
75.37817	0.5
76.98018	0.4
79.05502	1.2
81.07055	1.0
91.05478	0.5
93.07067	0.7
94.04175	1.7
100.08302	0.4
109.10182	0.6
122.03638	7.0
133.10130	1.2
135.11679	1.5
137.05983	100.0
138.06349	0.5
153.12750	0.9
170.15385	2.5
182.15445	2.1
234.71216	0.4
302.31491	0.4
306.20670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.55238	0.2
55.01881	0.8
55.05514	7.9
56.05016	0.3
57.07069	0.8
65.03925	0.5
67.05506	10.2
69.03419	0.4
69.07070	7.8
70.06586	0.4
71.08622	0.2
71.22620	0.3
71.22950	0.2
72.04517	0.4
79.05497	2.5
81.07058	8.0
82.06574	0.3
83.04973	0.3
83.08616	2.5
84.04527	0.2
84.08121	0.2
85.05293	2.7
86.06065	1.1
91.05484	1.2
93.07037	2.0
94.04222	0.3
95.04965	0.2
95.08614	5.4
96.08121	0.4
97.06519	0.3
97.10188	0.9
98.06057	15.3
99.06864	0.2
99.66351	0.2
101.65558	0.1
105.07020	0.9
107.08594	1.0
109.06523	0.4
109.10155	1.6
110.09667	0.7
112.07601	1.5
117.07086	0.2
119.08580	0.6
120.08103	0.2
121.10155	0.6
122.03638	0.6
123.11706	0.5
124.07585	0.3
124.11224	0.3
126.09161	0.5
129.33124	0.2
131.08553	0.2
133.10132	0.3
135.11722	0.2
136.11249	0.2
137.05980	7.9
137.13045	0.2
138.09143	0.4
138.12775	0.2
140.10739	0.8
147.11705	0.2
152.10664	0.4
153.12698	0.2
154.12273	0.6
158.77376	0.1
165.12704	0.2
168.13846	0.6
170.15462	0.2
180.13861	0.2
182.15413	0.6
194.15430	0.4
196.16989	0.7
208.16920	1.2
210.18486	0.2
222.18596	0.5
236.20058	0.5
250.21732	0.2
289.00455	0.2
289.21045	0.2
289.25235	0.2
306.27911	100.0
307.22586	0.6
307.28220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44326	0.8
55.07245	1.0
56.96573	1.4
60.05577	0.9
69.84152	4.9
70.24925	1.0
82.99891	1.0
86.44720	1.0
95.29912	0.9
98.21520	1.2
98.97593	5.3
101.00873	4.6
116.98663	1.7
119.01920	4.5
122.81480	0.9
158.99899	3.4
177.00957	10.7
182.99828	2.4
201.00917	4.9
217.04089	2.1
219.02019	14.3
221.01895	1.0
225.01015	1.5
243.01993	16.5
261.03088	100.0
262.03165	1.7
284.04700	3.1
302.20816	1.1
319.82401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	21.2
57.03426	20.4
61.02915	48.5
69.03430	19.6
69.67699	42.3
69.68131	40.7
73.02925	12.5
82.99832	12.2
85.02889	49.0
100.87395	12.1
101.00888	97.9
113.00869	26.1
115.02457	22.3
119.01910	100.0
127.02457	13.5
131.01912	20.0
133.03471	31.8
143.01906	49.1
145.03453	21.2
155.01843	29.0
157.03551	22.6
161.02962	38.4
168.99847	18.1
173.02956	28.7
177.59544	12.7
187.00876	43.2
189.02412	17.4
202.89064	49.0
202.97882	19.8
205.01941	21.1
215.00377	42.8
221.05099	21.0
229.01994	15.9
247.03052	69.1
289.04111	18.2
307.08078	64.9
307.10037	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	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.2
69.03421	1.9
70.06587	1.4
70.45908	0.7
70.87830	1.0
70.88162	1.4
77.89371	0.7
85.06544	2.3
87.00816	1.7
94.06532	2.0
115.05480	1.1
130.06529	97.6
132.04448	24.8
133.90019	0.8
146.06035	5.5
146.99649	0.7
157.07616	74.6
158.06017	100.0
159.06425	1.4
167.89970	0.8
173.07127	4.4
175.08672	45.5
176.07085	1.2
197.07114	2.1
199.08647	2.2
201.06573	5.8
203.08199	5.5
204.59787	0.8
221.09238	3.8
225.06639	1.3
243.07660	10.8
245.09131	2.2
247.07283	2.8
261.08722	40.9
271.07150	2.4
272.21304	1.0
289.08176	9.2
307.09238	3.7
307.12637	1.4
311.18011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Ruxolitinib
Peak:m/z	Relative Intensity
53.03949	1.2
55.05515	1.4
57.07083	1.1
63.48662	0.5
63.84074	0.4
66.33938	0.4
67.05501	3.6
69.07085	3.6
69.07402	0.6
69.90775	2.3
71.05019	0.7
79.05486	1.5
81.07057	8.9
83.08612	1.3
85.06548	0.7
90.38036	0.4
91.05495	1.9
93.07056	3.1
94.06575	0.5
94.07392	0.5
95.04982	1.2
95.08606	5.5
96.08150	1.4
97.10205	0.5
105.07049	1.4
107.08615	3.1
108.08135	0.7
109.06544	0.6
109.10153	3.8
111.08073	2.7
119.08596	0.8
121.10152	1.7
122.06031	2.8
123.06802	1.7
123.11710	6.8
124.07597	8.5
126.05521	0.6
126.09164	4.7
127.11186	0.7
133.10167	0.9
135.11723	0.8
136.07585	63.7
137.13297	1.0
138.09145	52.7
140.07060	1.0
147.11703	1.4
149.13289	1.1
151.11177	1.0
152.07071	15.7
159.11771	0.4
161.13277	0.5
163.11250	0.5
164.07076	100.0
165.07423	0.7
170.08105	3.9
177.16510	0.6
182.08138	21.7
238.11520	0.6
289.15521	3.6
289.25027	0.5
307.09683	0.7
307.16379	1.4
307.26160	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	307.1653
Annotation	Ruxolitinib
Peak:m/z	Relative Intensity
53.03949	1.2
55.05506	1.1
63.53269	0.4
64.53963	0.4
67.05498	1.7
69.03405	0.6
69.07065	3.4
69.18629	2.4
69.19054	2.4
71.83394	0.5
77.03934	0.6
79.05485	1.5
81.07067	5.2
83.04981	0.8
91.05478	2.0
93.07054	3.7
95.04952	1.1
95.08622	3.2
96.08136	0.8
97.06527	0.8
105.07039	0.7
107.08598	1.4
108.08126	1.1
109.10173	1.3
111.08071	0.8
111.11722	0.7
119.08568	0.5
121.10143	0.9
122.06026	2.5
123.06793	1.4
123.11710	2.3
124.07605	8.1
124.93210	0.5
126.09177	4.6
135.11705	0.7
136.07591	59.9
137.07976	0.7
137.13260	0.6
138.09149	52.5
139.09450	0.5
140.07071	0.9
149.13254	0.6
150.05522	0.5
152.07071	15.6
155.97369	0.5
159.08110	0.5
164.07080	100.0
165.07433	0.9
170.08142	4.6
175.14763	0.6
179.36140	0.5
182.08150	19.2
206.37433	0.5
280.16574	0.5
289.15515	3.5
307.09671	1.1
307.16354	1.0
307.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	5.6
53.08727	1.5
54.54133	1.6
55.01881	8.2
55.05516	42.5
56.05837	1.5
57.03429	7.6
57.07080	2.8
65.03943	2.8
67.05174	2.8
67.05510	29.8
67.80790	1.5
68.05864	1.9
69.03410	4.7
69.07072	14.0
71.08632	5.1
76.71815	1.5
79.05504	21.1
81.03416	5.5
81.07064	33.3
83.04988	100.0
83.08616	6.5
85.06554	2.3
91.05484	23.0
93.07066	21.5
94.07352	2.4
95.04982	14.5
95.08607	23.0
97.06535	5.0
97.10165	3.2
98.06064	3.2
99.04466	8.0
99.08125	3.3
105.07053	15.4
107.01325	1.8
107.04974	12.1
107.08611	13.4
109.02898	2.0
109.06530	18.9
109.10162	9.0
111.04423	3.7
111.08101	1.9
117.07036	8.6
119.08591	13.6
121.02871	10.1
121.06509	6.6
121.10154	10.2
123.04442	6.7
123.08063	6.5
123.11694	2.4
125.06008	7.9
128.06238	1.7
129.07036	4.1
131.08580	13.4
133.06555	2.5
133.10129	7.7
135.04433	4.1
135.08044	6.2
135.11703	6.6
137.06001	11.9
137.09631	4.4
138.06337	7.2
139.07539	2.2
143.08546	3.8
145.06502	2.6
145.10121	8.0
147.08083	5.6
147.11667	4.8
149.05968	5.4
149.09610	5.0
149.13272	3.1
151.07591	5.0
151.11206	2.2
155.08481	3.3
157.10092	3.4
159.08095	4.8
159.11708	7.7
161.09639	5.0
161.13246	2.1
163.07582	8.2
163.11154	7.9
163.14915	1.7
165.09077	3.1
165.12775	40.5
169.10175	4.1
171.11699	5.8
173.09702	2.9
173.13281	4.6
175.07649	2.5
175.11189	2.0
177.09172	3.0
177.12772	11.4
183.11742	1.9
187.11227	4.8
187.14786	1.7
189.12766	3.2
191.10596	1.7
191.14317	2.3
195.13736	1.8
199.11024	1.8
201.12759	1.9
205.12257	9.1
205.15965	4.1
207.13788	2.4
215.10741	2.0
233.11758	11.0
233.15317	9.0
243.17488	3.6
253.15976	2.8
261.18649	9.2
271.16983	17.0
275.20285	2.4
289.18042	57.5
289.21545	6.4
307.05362	1.6
307.09659	4.7
307.19080	23.4
307.22693	22.8
307.28314	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01862	16.1
55.05510	48.0
55.67384	9.3
57.03437	89.9
67.05508	65.0
69.03426	10.5
69.07056	24.9
79.05499	60.2
81.07059	69.9
83.04987	94.4
83.08633	13.5
84.54686	9.3
85.06512	13.2
91.05485	78.1
93.07060	55.7
95.04967	15.2
95.08595	55.0
97.06501	13.5
98.21490	35.1
99.04436	11.9
105.07043	44.9
107.04956	87.6
107.08575	35.7
109.06509	38.3
109.10157	21.5
110.22520	8.6
111.04473	56.2
113.05967	11.3
117.06987	32.6
119.08558	37.1
121.06476	33.6
121.10142	19.0
123.08024	15.9
125.05981	21.5
129.07039	17.5
131.08565	45.4
133.06544	15.8
133.10138	17.3
135.08017	25.9
135.11728	8.9
137.05997	91.7
137.09576	9.0
137.47873	8.7
138.06354	65.6
145.06445	11.9
145.10106	21.3
147.08025	23.8
147.11668	19.6
149.05956	15.3
149.09610	10.8
151.07632	10.0
155.08510	10.4
157.10217	12.1
159.08087	22.0
161.09599	18.9
163.11183	15.4
165.12785	10.2
166.13124	13.0
173.13231	12.2
177.12828	23.8
183.11572	10.1
187.14824	11.0
205.15831	21.6
207.22603	8.5
215.14290	15.1
233.15411	56.8
243.17326	16.5
261.18442	34.4
271.16940	27.8
279.03470	28.5
289.17981	100.0
290.21854	12.7
302.05045	36.8
307.09470	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.9
53.03944	10.2
55.01856	5.9
55.05269	2.2
55.05514	27.1
57.03204	1.6
57.03441	24.4
57.07063	5.7
59.04977	1.7
65.03933	5.1
67.05506	63.0
68.38434	1.3
69.03461	1.6
69.07066	28.4
71.04992	5.9
76.89263	1.7
77.03924	3.6
79.05495	84.1
80.33081	1.4
81.03421	10.0
81.07056	73.2
83.04977	9.7
83.08621	12.3
85.06502	3.2
88.07650	2.7
91.05485	100.0
93.07049	67.6
93.07645	3.0
94.74032	1.4
95.04976	21.9
95.08613	47.1
96.08974	1.4
97.06535	7.6
97.10160	6.6
103.05472	8.8
105.04548	3.0
105.07034	67.4
107.04962	33.4
107.08591	30.3
109.02904	1.8
109.06543	14.8
109.10155	21.0
109.48247	1.4
111.08060	5.6
115.05428	5.1
116.06216	1.7
117.06235	2.9
117.07021	30.3
119.04884	1.8
119.08588	45.8
121.02856	2.7
121.06505	15.5
121.10152	20.5
123.08057	5.5
123.11705	11.5
125.09628	4.4
128.06201	2.9
129.07004	11.9
130.07806	1.6
131.08568	46.3
133.06490	7.3
133.10149	17.3
135.08084	7.6
135.11668	4.9
137.13237	5.9
137.61891	1.7
141.07005	3.3
143.08563	5.7
145.06447	4.1
145.10121	19.6
147.08057	5.4
147.11655	5.0
149.09608	5.9
149.13275	6.8
151.07605	1.5
151.11195	2.5
155.08548	6.7
159.08000	2.5
159.11755	8.0
161.09692	1.9
161.13260	3.4
163.07602	2.1
163.11201	2.7
163.14879	1.9
165.12743	1.6
167.10631	2.1
168.09502	1.7
169.10164	7.0
171.11699	8.4
173.09657	2.2
173.13274	9.8
175.14841	1.7
177.09152	1.7
187.11066	2.8
187.14856	10.2
197.13281	6.4
205.15852	6.4
215.14349	3.2
215.22034	3.7
225.22397	1.5
233.15390	28.7
234.32091	1.6
248.20213	1.5
249.16599	1.8
259.24683	2.4
271.24127	2.5
289.17941	5.0
289.25076	2.3
307.09622	4.8
307.13260	2.3
307.19016	28.1
307.26569	23.7
311.23685	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03939	6.0
55.01873	10.6
55.05500	17.9
57.03423	23.3
57.07060	8.6
59.53660	5.6
61.02923	18.2
62.15399	5.4
67.05497	21.8
69.03429	50.9
69.07049	18.0
69.41821	29.1
69.42227	11.4
70.06577	17.5
71.01353	31.4
71.05000	7.2
72.74991	5.2
73.02913	41.7
79.05480	24.0
81.03415	9.9
81.07056	47.8
83.04967	13.6
84.08138	6.6
85.02911	57.4
85.06532	7.9
86.09691	12.2
87.04441	6.3
89.90314	5.4
91.05494	36.1
93.07034	39.3
95.04948	22.1
95.08611	57.7
97.02878	22.1
97.06522	10.0
103.05489	7.5
105.07043	55.0
107.04953	19.2
107.08604	52.9
109.06525	26.9
109.10141	19.9
111.04443	11.9
111.08123	5.5
112.03919	5.8
115.03922	21.8
115.05463	8.1
117.07027	17.3
119.08578	87.0
120.08119	6.1
121.02834	7.8
121.06523	32.4
121.10149	72.7
123.04411	6.6
123.08071	31.5
123.11692	14.6
128.06192	6.8
129.06979	17.3
130.06544	42.1
131.08569	55.6
133.04936	9.3
133.06525	8.0
133.10144	79.0
135.08049	18.3
135.11690	19.1
136.07545	5.3
137.05960	9.6
137.09583	8.0
139.11195	5.7
143.08556	32.1
145.06467	7.2
145.10141	61.2
147.08080	14.3
147.11659	34.2
149.09674	12.7
149.13319	6.9
151.07483	14.2
154.07794	7.6
155.06993	7.7
155.08536	9.8
156.09331	8.6
157.07634	37.2
157.10138	37.8
158.06035	39.5
158.10835	13.5
159.08047	22.2
159.11670	42.6
161.09613	20.7
161.13231	11.1
163.07507	5.8
167.07045	8.9
169.10141	20.8
170.10954	7.5
171.08038	13.7
171.11696	23.3
172.08868	8.0
173.09619	18.0
173.13261	80.8
175.08665	22.6
175.11215	10.7
175.14851	79.7
177.09077	7.1
177.12772	11.2
178.08647	15.0
179.08478	7.0
183.11685	12.4
185.09610	16.9
185.13217	21.4
186.10431	6.1
187.11214	15.5
187.14835	42.0
189.12823	5.7
189.16354	15.6
191.08224	6.9
191.14307	18.9
192.15067	12.5
193.15868	11.6
195.10114	6.6
196.12540	9.8
197.09584	8.1
199.14819	13.3
201.10306	6.9
201.12708	10.2
203.14294	10.9
205.12242	6.1
209.11697	16.2
210.14113	6.0
211.11197	9.6
211.14862	16.6
215.10635	27.7
215.14281	17.8
217.15887	21.0
218.07327	7.6
225.16336	7.8
227.14366	15.4
229.12514	6.4
229.15887	9.6
235.14633	6.2
241.15848	10.8
244.09859	7.0
247.07771	8.6
247.10831	12.2
247.16942	8.5
253.15910	11.5
259.16971	11.0
261.08676	9.5
265.11792	12.2
271.16837	43.8
277.17950	9.4
279.10413	7.4
289.11765	24.1
289.17975	66.0
292.07275	7.0
307.09583	24.2
307.12921	85.6
307.19040	100.0
315.22562	6.5
316.33951	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	307.227
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03936	5.5
55.01864	7.0
55.05513	43.7
57.03447	8.9
57.07077	8.5
57.87858	1.6
59.04986	5.5
64.48207	1.6
65.03950	4.3
67.05506	46.0
69.03416	6.1
69.07072	43.3
70.06554	2.0
70.76387	3.7
71.04991	20.3
73.06564	3.2
75.01936	1.4
79.05498	52.2
81.03424	9.2
81.07058	65.7
83.04966	9.2
83.08624	23.7
84.08160	1.9
85.06542	6.4
87.04459	4.2
87.08118	2.3
91.05483	55.6
93.07049	57.6
94.04188	1.7
95.04971	21.4
95.08608	55.9
97.06537	17.9
97.10164	12.1
98.98442	2.7
99.08100	4.2
103.05464	4.6
105.04475	1.9
105.07034	68.3
107.04961	18.4
107.08600	43.0
108.05754	2.0
109.06513	27.6
109.10172	28.2
111.04495	1.7
111.07412	1.8
111.08070	12.0
111.11661	3.0
113.06009	2.9
113.09656	2.1
115.05441	3.4
117.07023	21.5
119.08585	46.2
119.09380	3.5
121.02891	10.5
121.06522	23.5
121.10159	32.7
123.04453	2.0
123.08057	17.8
123.11713	12.8
125.09627	9.4
129.06993	5.7
131.04950	1.9
131.08563	22.6
133.06506	4.4
133.10146	36.3
135.08066	16.6
135.11668	10.5
136.08875	1.9
137.05968	4.2
137.09636	16.0
137.13251	4.1
139.11189	3.2
141.07004	3.4
142.07822	1.8
143.08545	6.8
145.06519	2.0
145.10144	20.9
147.06964	1.7
147.08066	5.0
147.11688	30.8
147.87770	1.6
149.05943	3.4
149.09647	13.3
149.13255	11.0
151.07527	4.4
151.11195	19.3
151.14851	1.9
153.12723	2.3
155.08601	2.6
157.06551	2.6
157.10130	5.5
159.06914	2.2
159.08057	12.8
159.11687	19.1
161.09628	3.5
161.13229	8.1
163.07558	8.3
163.11176	11.6
163.14839	4.1
165.09132	6.6
165.12738	11.4
169.10123	3.6
171.11635	7.6
173.09644	3.7
173.13242	8.9
175.11162	2.7
175.14764	2.1
177.12791	6.0
177.16469	2.9
179.14307	6.7
183.11621	4.0
185.09654	2.1
185.13292	1.9
187.11308	2.2
187.14873	4.5
189.12776	3.2
191.14198	1.9
195.11938	1.7
195.13696	2.5
197.13292	7.4
201.12796	2.2
205.15842	3.4
211.11266	1.7
215.14354	2.9
215.17957	3.3
219.08069	3.6
219.13884	4.2
229.19490	4.2
233.15369	10.9
235.13237	3.3
239.18033	9.1
247.07552	2.7
247.16891	2.0
247.20563	5.3
249.18608	4.0
251.16528	2.0
253.15910	2.0
257.19067	9.9
261.09186	1.8
261.18649	4.4
265.18033	2.4
271.16962	4.6
273.05109	1.7
275.20071	61.5
284.09814	2.0
289.18021	22.2
289.21661	4.3
289.24908	3.0
292.07285	3.1
307.09659	11.5
307.13229	3.1
307.19211	13.9
307.22702	100.0
307.26337	10.5
308.23257	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14988	3.0
53.03933	10.2
55.01869	29.2
55.05513	41.7
57.03424	8.7
57.07057	6.9
67.05502	64.8
69.03421	6.0
69.07075	34.7
69.18724	6.6
69.19112	27.8
71.04987	4.8
79.05494	67.6
81.03434	14.9
81.07057	100.0
83.04970	13.2
83.08624	18.2
85.06532	4.8
91.05485	56.8
93.06492	3.9
93.07052	52.2
95.04958	12.8
95.08020	2.3
95.08608	54.6
97.06531	47.9
97.10172	25.2
105.07034	51.4
107.04961	25.8
107.08590	52.6
109.06528	22.0
109.07140	3.8
109.10161	23.0
111.08067	5.7
117.07029	11.5
117.94295	3.0
119.08592	33.6
121.02837	3.8
121.06512	7.1
121.10156	22.9
123.08054	8.2
123.11697	6.2
125.09634	30.7
129.07045	5.1
131.08574	19.5
133.10141	35.0
134.76640	2.9
135.08076	14.2
135.11684	8.8
137.05960	5.4
137.09621	4.2
138.06343	4.6
138.36365	2.9
139.07549	3.4
139.11133	4.3
143.08603	5.3
145.06621	4.2
145.10130	19.6
147.11656	15.1
149.09627	40.4
149.13271	6.8
149.22945	3.4
151.11143	6.8
153.09117	8.5
157.10204	4.5
157.12222	3.7
159.11652	16.2
161.09686	4.2
161.13277	8.5
163.11153	6.4
169.10170	3.9
171.11772	4.6
173.13365	3.6
175.11177	3.5
177.12703	7.4
179.14406	4.2
183.11713	3.8
185.13329	3.5
187.11201	6.2
194.95967	3.1
202.70740	3.0
203.12767	21.8
209.15370	4.6
219.17444	43.6
229.19426	3.5
239.17857	4.9
239.22374	2.8
247.20598	4.6
257.18951	7.5
275.20084	80.2
307.09930	5.8
307.22552	11.4
307.26328	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	307.2632
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03943	3.0
55.01884	3.8
55.05518	15.0
56.36795	2.0
57.07076	7.3
63.98957	2.0
65.10033	2.1
67.05507	32.2
69.03438	3.7
69.07071	26.3
69.24055	21.7
69.24403	3.2
70.06596	3.6
71.05004	14.4
78.98552	1.9
79.05497	11.7
81.07060	85.8
81.07537	4.1
83.08628	7.6
85.06550	7.9
91.05490	9.6
93.07043	28.1
95.04993	3.0
95.08614	100.0
97.06531	11.0
97.10168	4.9
99.08091	3.5
105.07049	13.3
107.08598	33.0
109.06519	4.0
109.09462	3.3
109.10161	29.8
111.08097	19.1
111.11732	3.5
118.95345	2.0
119.08593	15.2
121.10148	18.7
122.06023	5.6
123.11709	53.6
124.07602	3.1
125.09599	4.2
127.11194	6.6
131.08571	2.1
133.10133	12.3
135.11673	10.8
137.09550	3.3
137.13269	37.0
139.11197	4.5
139.46887	2.1
147.11696	14.9
149.13269	27.2
150.05481	2.9
151.11198	8.6
151.14775	3.3
152.07083	2.2
153.12740	6.1
159.11674	3.5
161.13324	4.0
165.12767	7.7
167.14276	2.7
173.13310	2.7
175.14859	4.8
187.14911	3.2
201.16383	3.6
203.17978	7.3
214.68234	2.3
215.17944	3.3
237.18434	5.3
289.22269	2.7
289.25146	10.4
307.09369	4.1
307.23059	3.4
307.26288	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03944	3.1
54.14039	1.6
55.01876	2.1
55.05503	14.4
57.07085	10.2
67.05192	2.3
67.05510	27.3
69.03428	2.4
69.06691	2.6
69.07071	42.0
69.36073	12.7
69.36469	4.7
71.04970	4.5
71.08615	5.6
72.12773	1.9
78.17105	1.7
79.05489	19.2
81.07058	100.0
83.04960	4.1
83.08621	11.9
85.06536	2.7
91.05455	8.1
93.07050	34.9
94.92507	1.8
95.04961	6.7
95.08613	76.6
97.06535	5.8
97.10184	2.7
98.20772	3.5
105.07046	15.4
107.04990	2.0
107.08595	28.0
109.06538	2.4
109.10164	36.9
111.08079	11.5
111.11717	5.1
119.08584	9.9
121.10151	21.0
123.11710	43.7
125.09618	2.8
131.08603	2.9
133.10129	11.8
135.11710	12.5
137.13257	28.2
139.11168	6.3
140.68704	2.3
145.10138	4.9
147.11693	10.3
149.13251	13.4
151.11142	11.5
153.12720	2.8
155.10675	1.8
158.81250	2.2
159.11702	2.7
161.13234	6.8
163.14737	5.0
165.12808	1.8
167.10785	2.0
169.12296	3.0
175.14789	3.8
177.16347	3.5
181.12173	1.8
201.16380	2.1
220.69598	2.1
271.24194	4.6
289.25342	8.4
307.09610	3.4
307.26328	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	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03952	6.3
55.01863	3.7
55.05272	2.9
55.05512	31.0
56.22144	2.3
57.03429	5.0
57.07089	16.1
59.04991	4.3
60.66096	2.4
67.05506	42.7
69.03446	4.9
69.07071	100.0
69.19699	16.5
69.20123	7.0
71.05003	4.9
71.08634	5.4
79.05501	23.3
81.07062	96.3
83.04971	6.8
83.08627	39.4
85.06544	7.1
87.04476	3.5
88.07626	5.0
91.05489	24.4
93.07053	87.8
95.04974	28.5
95.08614	81.7
97.06543	15.1
97.10159	9.7
98.02770	2.7
99.08087	5.6
105.07039	23.8
107.04993	3.0
107.08585	44.6
109.06520	7.3
109.10165	37.0
111.08071	16.3
111.11678	6.9
117.07027	7.9
119.08614	14.5
121.06490	5.5
121.09339	4.8
121.10155	61.6
122.34355	2.6
123.08072	6.5
123.11703	32.9
125.09617	8.6
131.08553	7.5
132.10164	3.4
133.10155	7.0
135.11716	16.3
137.09641	3.4
137.13272	9.4
139.10211	2.6
139.11200	9.6
141.06964	3.1
145.10132	10.6
147.11684	9.6
147.60625	2.9
149.09645	5.9
149.13272	23.5
151.11185	5.0
159.11690	12.4
161.13272	8.4
163.11169	7.6
163.14766	3.9
167.10713	6.0
167.14319	9.3
175.14792	4.5
177.12697	3.8
177.16345	5.2
185.15344	3.6
187.14690	3.4
191.17891	3.0
195.13831	3.9
209.19122	3.6
215.18007	3.4
215.22078	4.5
235.92842	2.4
245.22824	3.2
259.24597	3.0
271.24271	14.2
271.40747	2.6
289.25272	7.8
307.09592	5.2
307.18634	3.1
307.26501	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.20471	1.3
53.03940	2.2
55.01865	3.6
55.05513	15.6
57.07069	6.6
58.07048	1.3
59.77124	1.3
62.45507	1.3
65.03942	1.9
67.05507	34.8
69.03423	2.0
69.07069	32.8
70.66819	1.4
70.93494	2.1
71.04985	10.6
71.08633	2.0
72.08139	2.3
79.05492	13.4
81.07059	89.3
83.04964	2.6
83.08623	8.3
85.06541	5.1
91.05492	9.9
93.06491	2.1
93.07047	27.9
95.04964	4.5
95.08609	100.0
96.08108	1.4
97.06518	8.5
97.10174	5.3
99.08087	2.4
105.07035	13.2
106.06551	1.7
107.08601	27.1
109.06520	4.4
109.10159	30.8
111.08088	14.6
111.11725	2.6
119.08595	10.8
121.06485	1.9
121.10145	20.4
123.11713	41.1
124.07592	17.4
125.09634	2.4
125.14802	1.4
127.11194	5.3
130.06476	2.3
131.08563	2.7
133.10147	9.1
135.11699	9.8
136.07626	2.6
137.07970	2.4
137.13260	38.0
138.09157	1.6
139.11209	5.7
145.10120	4.0
147.11703	13.0
149.13269	16.5
151.11168	8.0
153.12746	3.8
157.07654	2.4
158.05975	3.6
159.11626	3.1
161.13243	3.7
163.14853	2.8
164.07077	1.6
165.12769	6.2
166.08647	1.9
169.12291	2.0
173.13234	2.5
175.08757	2.3
175.14801	2.9
177.16470	1.7
189.16451	1.6
191.17940	3.4
203.17961	6.3
207.17371	2.2
217.19543	2.9
221.19014	1.4
237.18468	2.9
271.24289	2.7
289.15259	2.3
289.25345	7.7
307.09662	5.5
307.16702	1.9
307.26309	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	307.2633
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03936	4.6
53.76870	1.8
55.01873	4.5
55.05275	2.2
55.05513	32.9
57.03422	4.9
57.07068	18.5
59.04996	3.8
67.05506	32.4
69.03421	6.0
69.07071	100.0
69.25529	17.3
69.38181	1.6
71.04977	7.9
71.08624	7.6
79.05493	27.4
81.03431	1.9
81.07059	95.7
83.04974	5.5
83.08154	3.8
83.08621	46.4
85.06531	5.8
87.04459	5.8
91.05480	20.2
93.07047	92.0
95.04984	28.0
95.08610	98.9
97.06521	14.9
97.10195	12.0
99.08122	4.1
105.07037	25.1
105.07719	3.0
107.04959	3.5
107.08595	41.8
109.06517	8.2
109.10162	33.3
111.08087	16.5
111.11729	6.1
117.07026	3.1
117.22927	2.6
119.08610	13.7
121.06503	5.0
121.10146	61.1
123.08065	7.3
123.11711	32.1
125.09657	6.9
125.13263	2.3
128.11296	1.7
131.08569	5.7
133.10121	10.0
135.08037	2.0
135.11714	15.4
137.09676	2.4
137.13263	8.8
139.11211	10.4
145.10133	10.0
147.11688	8.3
149.09602	5.2
149.13269	27.9
151.11168	5.2
151.14743	3.5
155.08459	1.9
159.11707	13.8
161.13277	6.7
163.11195	7.9
163.14844	6.7
165.16364	2.8
167.10672	6.1
167.14302	9.0
173.13287	2.3
175.14816	5.6
177.12820	2.6
177.16364	5.3
185.07043	2.8
185.15326	3.2
187.14748	3.2
189.16327	2.3
191.17929	2.7
195.17366	1.9
197.07143	5.9
209.19052	3.9
215.17998	4.6
215.96851	1.7
245.22633	3.6
263.23755	2.5
271.24136	6.9
289.15286	3.9
289.25278	7.5
307.09869	5.5
307.13147	2.3
307.26285	35.9
329.49582	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	308.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80228	0.9
57.26943	0.9
60.04526	1.5
69.03413	1.8
70.06574	3.5
70.20050	1.9
70.20446	2.0
72.08142	3.3
74.06042	1.2
76.02209	4.4
84.04497	2.1
84.08144	6.5
85.02900	1.5
86.09715	9.5
87.09254	1.1
90.05553	1.3
91.05485	1.8
103.05453	2.7
110.07148	1.3
115.08694	57.0
116.07022	1.0
119.04919	3.0
120.08104	100.0
121.08450	1.0
123.84494	1.1
125.18732	1.2
128.00798	1.4
129.10216	2.4
130.06502	3.3
131.04872	2.6
131.06847	4.0
133.31184	1.2
142.03378	1.0
143.08159	34.0
146.06015	9.3
147.04402	9.4
149.06007	2.1
158.05974	1.6
158.07988	3.1
159.06383	3.3
162.02190	2.0
166.08641	69.3
176.09018	2.7
179.04791	1.9
191.11800	1.6
200.13780	1.5
237.12325	11.8
240.16336	0.9
262.09073	3.0
270.19302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
57.03431	0.5
60.04523	0.6
61.02922	0.9
65.03938	1.0
67.05510	0.5
68.01740	0.3
69.03432	5.1
69.07050	0.6
69.51382	2.4
70.06594	2.7
72.08158	2.4
74.06102	0.4
81.03410	0.9
82.06560	0.4
84.04504	1.1
84.08157	3.4
85.02904	1.8
86.09712	8.9
91.05481	9.7
91.06030	0.7
95.04956	0.3
97.02895	1.8
99.04460	0.6
101.02397	0.4
103.05405	0.3
105.07015	0.4
107.04963	5.0
109.02848	0.8
110.06039	0.4
110.07153	0.6
115.05437	0.4
116.07098	1.0
119.04946	22.7
120.08106	6.1
121.02868	0.3
121.08456	5.0
124.07562	0.8
127.03928	2.7
129.10242	1.8
133.06432	0.4
136.06247	0.4
136.07594	0.7
136.29137	0.4
137.05974	0.7
147.04414	100.0
148.04761	0.8
152.07057	0.4
154.08623	0.4
157.06500	0.6
157.07657	0.4
164.07005	0.4
165.05486	0.9
166.03705	0.3
177.05385	0.5
185.05975	0.6
187.07449	0.5
187.35971	0.3
188.07506	0.3
189.05507	0.9
191.11734	0.8
192.12129	1.1
203.06993	0.5
203.13959	2.5
204.90068	0.3
217.13449	0.4
220.11667	0.9
221.09486	0.4
231.90849	0.3
245.09079	0.4
245.12892	0.9
263.13971	0.8
273.12289	0.7
291.08774	0.9
291.13440	3.3
294.08844	0.5
309.09503	3.0
309.14453	3.5
309.17551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.96560	0.4
57.03438	0.3
61.02923	1.5
65.03934	0.7
68.57959	0.3
69.03439	4.1
69.69022	1.3
69.69451	0.6
70.06586	1.0
72.08160	0.7
72.94330	0.3
77.71146	0.3
81.03419	0.5
84.04502	0.4
84.08157	1.6
85.02917	1.4
86.09717	1.8
91.05487	7.9
95.04976	0.4
97.02894	1.2
98.97581	0.5
98.98427	0.4
99.04510	0.3
107.04970	4.6
108.05280	0.3
109.02914	0.3
110.06034	0.3
119.04951	22.4
120.08119	0.6
127.03938	2.2
129.10251	0.5
147.04419	100.0
148.04768	1.2
165.05435	1.0
166.71976	0.3
168.05446	0.4
175.08693	0.4
177.05949	0.3
179.76398	0.3
249.08649	0.4
261.12241	0.4
291.08597	0.3
291.13480	0.8
309.09543	2.8
309.14380	1.9
309.17685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01847	0.7
55.05501	0.9
57.03432	0.6
57.07101	0.5
61.02914	0.5
65.03932	1.0
67.05496	1.6
69.03429	6.4
69.07060	1.4
71.04984	1.3
71.48833	0.7
77.10516	0.4
79.05491	1.0
81.03416	10.2
81.07067	3.4
83.08610	0.7
85.02910	3.1
91.05488	11.1
93.07040	1.5
95.04957	0.7
95.08600	2.0
97.02875	2.2
97.06538	0.4
97.09625	0.4
97.10193	0.5
99.04450	1.2
105.07012	1.3
107.04945	1.8
107.08606	1.1
108.06670	0.4
109.02883	3.7
109.10146	1.6
111.08112	0.6
119.04943	27.4
119.08553	0.8
121.10117	1.1
123.08064	0.9
123.11702	1.7
125.09644	0.6
127.03933	2.0
133.10146	0.7
135.11670	0.5
137.13177	0.4
145.10017	0.8
147.04414	100.0
148.04802	0.8
159.11711	0.5
165.05502	3.3
178.07724	0.5
189.48878	0.4
203.08247	0.8
219.08125	0.5
234.06706	0.6
249.09241	0.8
263.14706	0.6
277.08673	1.0
281.11743	1.3
291.08612	7.8
291.19647	0.5
291.23120	0.5
294.09128	0.6
309.11075	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	309.1122
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
53.13900	0.9
55.01884	8.0
55.05512	12.8
57.03434	2.6
57.07079	6.9
61.40215	1.0
65.03923	1.1
67.05511	12.5
69.03427	2.9
69.06731	1.8
69.07072	16.4
69.76971	5.7
70.08887	1.0
71.04981	2.5
71.08623	4.0
79.05505	9.0
81.07063	28.3
83.04980	3.1
83.08629	9.3
85.02888	1.7
85.06580	1.8
91.05486	8.9
93.07046	13.3
94.94019	1.2
95.04967	3.0
95.07704	1.2
95.08621	23.9
97.06514	3.1
97.10167	4.5
99.08093	1.5
105.07037	8.0
107.04987	6.1
107.08591	11.1
109.06519	2.9
109.10165	14.1
111.08069	3.5
111.11717	2.9
117.07030	1.2
119.04963	5.1
119.05894	1.0
119.08620	5.9
120.75984	1.0
121.10162	8.8
123.08075	3.1
123.11690	8.6
125.09615	2.1
129.07025	1.7
131.08577	2.6
133.10109	3.5
135.11707	5.6
137.05981	1.5
137.09608	2.7
137.13243	3.4
145.10152	2.8
147.04414	18.1
147.11684	6.0
149.13214	3.2
151.14832	1.5
157.10159	1.3
159.11658	1.2
161.09662	1.2
161.13295	2.1
163.14874	2.2
165.07133	3.8
165.12747	2.0
173.06129	1.6
175.14767	1.7
177.16411	2.1
178.07762	3.3
179.08557	3.4
181.06424	2.2
183.08075	3.5
185.05936	1.3
189.07033	1.8
190.07736	1.4
191.08565	2.9
192.09406	1.8
193.10127	3.5
195.08066	2.7
202.07826	5.1
203.08617	8.6
203.17947	1.1
204.09450	1.1
205.06558	2.6
205.12154	1.2
206.07310	5.5
207.08043	5.9
209.09625	1.4
210.57780	1.2
211.07539	3.4
211.11197	1.3
217.19429	1.4
218.07317	1.3
219.08003	6.0
220.08807	7.8
221.09647	11.9
222.10468	1.4
223.07588	5.0
224.08365	4.4
225.09134	4.2
226.09886	16.1
231.08084	10.0
232.08810	4.4
233.09634	3.0
234.06767	5.3
235.07460	4.2
235.11172	5.4
237.05556	1.1
237.09079	5.5
237.43080	1.3
238.09949	3.7
239.10715	6.0
240.07918	1.3
245.09778	1.9
247.07578	6.2
248.08363	14.3
249.09143	28.6
250.09895	15.7
251.07059	4.0
251.10812	1.1
253.08540	4.2
253.12369	4.9
259.07663	2.4
260.08417	4.4
261.09186	3.5
262.06223	1.9
262.09824	1.2
263.07538	1.6
263.10693	33.8
265.08688	6.3
266.09326	9.4
267.10168	3.2
273.18484	1.5
273.25778	3.0
275.06915	1.0
276.07751	6.6
277.08612	25.3
278.09360	7.9
279.06543	1.8
280.11093	1.6
281.11737	53.7
291.10226	14.4
291.19522	4.0
291.22998	0.9
291.26843	5.9
293.08136	1.4
294.08875	8.0
309.11227	100.0
309.27805	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01873	1.9
55.05272	1.5
55.05514	16.0
57.03416	1.3
57.07080	4.2
67.05506	13.8
69.03416	2.9
69.06727	1.4
69.07069	14.6
69.70471	3.1
69.70896	1.8
71.04987	3.5
71.08617	1.4
79.05495	20.0
81.03421	2.4
81.07059	24.9
83.04985	5.0
83.08617	9.1
85.06544	1.9
91.05495	10.9
93.06489	1.8
93.07042	24.1
94.96385	0.9
95.04974	2.4
95.08611	21.2
97.06528	2.4
97.10175	8.9
98.98501	1.0
99.08089	1.9
105.07018	7.4
107.04961	2.3
107.08591	9.6
109.02898	1.3
109.06503	1.7
109.10170	11.4
111.08086	7.9
111.11711	1.4
113.05994	1.1
117.07015	2.6
119.04945	3.6
119.08561	5.9
121.10143	10.7
123.08067	2.6
123.11697	7.9
125.06030	1.1
125.09658	8.0
127.03831	1.2
129.06985	1.9
131.04907	1.6
131.08524	2.6
133.10144	4.7
135.08060	1.6
135.11687	3.4
137.05922	1.3
137.09622	1.6
137.13278	3.2
139.11227	1.3
143.08539	1.6
145.10152	6.2
147.04414	14.2
147.11679	3.3
149.13266	3.8
151.14799	1.3
153.12799	1.1
157.10181	1.7
159.07986	1.2
159.11743	5.1
161.13229	1.4
163.11133	1.2
163.14853	2.1
165.12787	1.3
167.14417	0.9
177.75970	0.8
189.11255	3.5
193.19539	0.9
205.12204	5.4
207.08031	1.2
234.06856	1.4
245.22427	0.9
249.09125	1.9
273.18634	1.2
273.25711	1.8
277.08560	3.1
281.11673	2.1
291.19595	2.8
291.23627	1.0
291.26770	5.4
309.11676	5.7
309.16736	100.0
309.24405	2.3
309.27948	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	6.3
53.19596	1.7
55.01877	17.6
55.05515	68.2
57.03436	12.4
57.07073	7.0
59.04994	4.4
59.50278	1.7
65.03927	2.7
67.05508	57.5
69.03430	10.7
69.07068	34.9
69.50265	15.5
71.04992	7.2
71.08626	2.8
79.05495	55.6
81.03420	14.4
81.07057	100.0
83.04987	20.7
83.08622	40.5
84.07333	1.9
85.02921	2.9
85.06535	7.9
91.05478	26.4
93.07050	58.3
95.04973	36.6
95.08615	61.0
97.06530	11.6
97.10177	44.3
99.08096	4.2
105.07030	29.0
107.04943	7.2
107.08587	30.5
109.02888	1.9
109.06503	6.4
109.10155	27.8
111.04453	15.1
111.08087	11.0
113.06041	2.8
117.07018	11.6
119.04954	4.8
119.08582	28.0
119.26927	1.7
121.06516	5.6
121.10156	19.8
123.04430	2.5
123.08076	98.4
123.11722	16.5
124.08498	2.1
125.05972	2.3
125.09647	36.1
127.07584	2.2
128.06233	2.1
129.07014	6.1
131.08578	11.8
133.06502	4.1
133.10126	17.7
135.08051	7.7
135.11673	10.5
137.09644	9.5
137.13234	1.8
139.11214	4.3
143.08604	4.6
143.10709	3.6
145.10124	14.0
147.04419	7.3
147.08020	11.8
147.11707	9.1
149.09595	2.8
149.13260	5.4
151.11107	2.2
153.09081	4.8
153.12758	4.2
155.10651	2.4
157.10141	7.8
159.11702	5.4
161.09659	6.5
161.13272	2.7
163.11215	19.1
165.09082	13.1
165.12738	3.0
169.12234	6.6
171.10217	4.2
171.11659	3.0
173.09654	3.0
173.13310	2.6
175.11160	5.5
181.12222	6.9
185.13165	2.4
187.13307	9.3
187.39816	2.0
189.11227	30.6
189.12747	3.0
191.10721	5.8
193.12248	10.8
195.11920	2.5
197.13341	2.3
198.76993	1.8
209.11688	3.2
211.13283	6.8
223.13350	6.3
227.12801	3.2
249.09024	2.0
255.17424	6.7
263.20090	7.2
272.10721	2.2
273.18518	35.5
273.25830	2.9
277.08566	2.4
291.19537	58.5
291.26868	2.8
309.11218	3.5
309.16721	20.0
309.20627	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	6.1
55.01875	12.6
55.05515	56.2
57.03191	1.8
57.03440	13.3
57.07063	1.6
65.03939	1.7
67.05508	48.8
67.73785	1.6
69.03423	13.4
69.07070	25.7
70.01303	8.0
71.04984	7.0
77.14768	1.5
79.05498	50.2
81.03413	19.3
81.07059	100.0
83.04995	19.6
83.08169	1.7
83.08629	27.5
85.02905	4.7
85.06557	2.8
91.05490	30.5
93.06489	2.7
93.07050	42.7
95.04978	22.1
95.08610	35.9
97.06543	15.5
97.10178	39.3
98.21434	1.9
99.04462	2.8
99.08111	8.8
105.04561	1.7
105.07030	28.0
107.04959	11.3
107.08607	26.7
109.02870	1.7
109.06504	11.1
109.10162	21.3
111.04440	15.4
111.08093	12.7
113.06017	3.4
117.07032	9.6
119.04901	2.6
119.08596	22.7
121.06538	8.1
121.10152	16.8
123.04433	2.7
123.08068	36.6
123.11704	2.9
125.05978	1.6
125.09642	30.9
129.06995	7.0
131.08568	13.0
133.06522	3.4
133.10118	15.4
135.08055	10.5
135.11693	8.5
137.09607	10.4
139.11208	2.8
143.08559	6.8
145.06528	2.3
145.10149	13.8
147.04424	5.9
147.08054	9.1
147.11707	6.9
149.09602	7.3
149.13255	3.5
151.11203	5.2
153.09122	5.6
153.12759	5.1
157.10112	7.0
159.11682	4.4
161.09605	3.9
161.13297	2.8
163.11200	19.4
165.09166	11.0
171.10097	5.9
171.11545	3.0
173.13304	2.2
175.11205	6.7
177.12683	3.5
181.12196	8.1
187.11104	1.8
189.11241	21.8
191.10695	7.3
193.12262	12.4
199.14864	3.2
211.13269	2.9
213.16521	2.2
217.15947	4.3
223.13246	4.4
227.12817	2.3
227.17947	2.2
229.19434	1.8
231.84489	1.5
235.16963	2.2
245.18892	3.1
255.17368	4.5
263.20004	3.1
273.18521	25.4
291.19547	72.8
309.11212	2.1
309.15289	1.7
309.20682	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01865	7.4
55.05493	8.6
57.03437	41.5
58.40108	2.9
64.63543	3.2
67.05504	31.3
69.07060	5.5
69.58414	19.9
71.04990	5.1
71.12151	2.8
79.05479	19.0
81.07050	20.7
83.08610	5.6
85.06550	29.0
91.05476	14.4
91.34702	2.9
93.07060	20.7
93.82259	3.2
95.04971	37.8
95.08616	8.1
97.06537	3.2
98.20836	6.6
99.04434	3.6
105.07035	10.8
107.04955	4.4
107.08601	12.7
109.06512	40.9
109.10150	3.3
111.04461	9.8
111.08057	4.1
113.06017	100.0
117.07039	11.6
119.08598	10.7
121.06496	4.3
129.06998	5.5
131.08572	11.9
133.10143	5.3
135.08064	34.5
135.11688	5.2
143.08606	5.8
145.10109	8.5
145.60257	3.0
161.09581	6.5
163.11217	6.3
168.00554	3.3
171.11613	4.0
173.09601	3.4
181.12320	4.2
204.75470	3.6
217.15948	11.9
220.40147	3.6
235.79959	3.5
273.18497	19.5
291.19583	68.6
292.20013	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.55475	2.8
51.83804	2.7
53.03957	6.7
55.01881	15.1
55.05520	29.8
57.03447	4.2
57.07058	3.1
67.05513	64.1
69.03428	4.4
69.07062	27.5
69.98434	13.4
71.04983	9.2
79.05495	45.3
81.03404	3.3
81.06596	6.5
81.07059	100.0
83.04988	20.2
83.08614	13.4
85.06566	5.8
88.07253	2.7
91.05483	47.7
93.07049	43.3
95.04964	9.5
95.08612	22.6
96.68677	2.8
97.06569	6.9
97.10189	10.9
99.04420	3.6
105.07038	44.1
106.70435	3.3
107.04967	10.7
107.08595	41.5
109.06526	8.0
109.10155	60.6
111.04440	8.1
111.08073	8.6
117.07001	8.8
119.08588	18.2
121.06490	7.3
121.10146	6.7
123.08067	9.8
123.11721	8.6
125.09624	10.6
127.07473	3.6
129.07021	4.1
130.38519	2.7
131.08586	13.2
133.06509	7.7
133.10139	84.7
135.08054	12.4
135.11725	7.5
137.06007	3.4
137.09567	4.1
139.07553	4.4
143.08566	6.9
145.10121	11.2
146.55960	3.0
147.08049	10.4
147.11678	3.8
149.09554	5.6
151.11194	44.9
153.26778	2.9
159.11708	7.9
161.09648	7.1
163.11208	5.1
169.12265	13.6
171.11682	5.5
175.11220	5.7
179.10661	3.6
181.12347	3.3
189.11249	3.5
207.13852	4.6
215.12828	3.7
227.65736	2.7
245.19058	11.6
263.20117	12.5
273.18460	30.7
286.83908	3.2
286.96573	3.2
291.19543	54.3
309.20645	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	4.9
55.05516	31.7
57.03427	1.2
57.07064	1.5
65.03944	1.5
67.05509	15.1
68.90888	1.1
69.03423	4.1
69.07069	12.7
70.31976	3.6
79.05499	17.2
80.25389	0.9
81.03420	3.4
81.07054	22.5
83.04982	4.7
83.08620	17.6
83.12009	1.0
91.05475	11.4
93.07044	12.5
95.01346	1.6
95.04972	5.6
95.08605	9.1
97.06528	2.2
97.10168	25.5
105.07035	7.8
107.04972	3.7
107.08574	10.7
109.06526	2.6
109.10171	3.5
111.04464	1.5
111.08053	2.3
117.07007	5.5
119.04947	1.9
119.08608	8.6
121.06512	4.1
121.10136	3.6
123.08066	10.2
125.09631	16.4
129.07013	2.4
131.08612	4.9
133.06476	2.6
133.10127	2.6
135.08057	3.1
135.11702	1.5
137.09621	3.1
143.08549	1.3
145.10149	4.4
147.08054	4.9
147.11693	3.1
149.09636	1.8
153.09193	1.7
157.10103	2.2
159.08086	1.2
161.09598	3.0
163.11177	3.2
163.95558	1.1
165.09230	5.7
171.10187	2.3
171.11624	2.4
175.11108	1.1
181.12241	1.6
185.43869	1.0
189.11250	9.6
189.12802	1.6
199.11224	1.4
221.11668	1.6
223.13379	2.6
224.85809	1.2
227.17880	1.3
245.19070	2.0
249.14815	1.6
255.17490	1.4
263.20148	1.4
273.18536	13.5
291.19537	100.0
292.19885	2.3
309.11252	1.3
309.20581	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	7.6
55.01864	18.1
55.05512	40.4
56.48936	5.0
57.03419	14.9
67.05504	76.8
69.03407	8.6
69.07076	33.2
69.97088	26.1
71.04977	9.4
71.09494	5.3
79.05495	48.9
81.03403	7.2
81.07058	96.2
83.04973	16.6
83.08639	13.0
85.06550	14.9
91.05482	49.5
93.07056	54.7
95.04956	13.9
95.08617	42.5
97.06509	8.3
97.10152	13.4
100.96729	5.5
105.07033	56.6
107.04946	11.6
107.08583	63.6
109.06521	7.8
109.10165	99.6
111.04453	12.5
111.08058	6.7
116.21185	4.9
117.07021	16.1
119.08609	25.6
121.06528	13.0
121.10137	17.1
123.08069	16.0
123.11720	13.2
125.09664	11.8
129.06996	7.2
131.08556	15.2
133.06462	7.9
133.10144	100.0
135.08023	8.5
135.11673	9.8
137.09604	5.8
139.07562	6.0
143.08569	8.5
145.10115	15.8
147.08058	11.1
147.11688	8.0
149.09625	9.0
151.11194	64.3
161.09512	9.0
169.12238	15.8
171.11664	7.4
189.11089	7.0
245.19006	15.9
263.20035	18.6
273.18561	40.0
291.19577	80.3
309.20642	33.5
309.24240	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01875	17.8
55.05508	42.0
55.51691	7.8
57.03436	26.4
67.05511	75.8
69.07069	11.8
70.06637	8.7
70.44217	27.9
79.05508	51.9
81.03419	15.8
81.07059	87.4
83.04972	33.6
83.08630	12.9
85.06535	20.7
91.05476	44.3
93.07042	48.9
95.04980	40.4
95.08598	28.9
97.10184	12.1
105.07037	27.6
107.04937	17.6
107.08614	30.5
107.46006	7.8
109.06512	43.6
109.10120	19.9
111.04464	39.0
111.08077	18.4
112.46854	8.2
113.06020	43.3
117.06999	17.6
118.91066	7.6
119.08582	38.5
121.02713	8.9
121.10144	20.3
123.08104	16.8
125.09538	8.7
125.52415	7.9
129.07047	9.9
131.08554	17.6
133.06441	9.9
133.10184	18.2
135.08061	18.3
135.11732	15.7
143.08585	9.0
145.10135	26.7
147.08064	13.7
157.10059	8.2
158.52736	7.6
159.11676	15.9
165.20042	9.2
181.12296	9.3
197.12204	9.9
205.12358	7.8
273.18497	36.7
291.19574	100.0
309.11292	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	5.1
55.01868	7.2
55.05517	27.7
57.03426	12.7
57.07057	6.7
58.50904	3.4
59.05006	3.7
67.05511	70.3
69.07079	26.1
71.05004	3.8
71.08638	58.1
79.05494	54.2
81.03425	11.5
81.07060	72.4
83.04982	11.8
83.08617	16.0
91.05484	30.9
93.07045	75.6
95.04981	20.2
95.08612	59.0
97.06540	16.2
97.10164	9.9
99.08105	45.9
105.07028	25.6
107.04935	10.9
107.08592	39.3
109.06521	6.5
109.10184	26.1
113.50399	3.5
117.07040	6.6
119.08574	14.1
121.10140	36.8
123.08087	7.7
123.11785	6.1
129.06999	6.8
131.08611	7.6
133.10178	21.4
135.11703	41.0
137.09604	8.1
140.27518	3.5
141.09071	8.8
145.10153	9.7
147.04576	3.7
147.11700	7.8
149.09654	7.7
149.13281	8.9
151.11163	18.9
157.10112	4.9
159.11671	5.3
161.13260	11.8
163.11255	10.2
163.14818	5.5
179.14297	100.0
189.12704	4.7
207.13817	4.2
221.15431	4.6
221.18965	3.6
229.60913	4.6
235.17007	5.6
259.20496	6.2
277.21591	52.9
291.19833	4.8
309.21603	4.8
309.24741	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	309.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01870	1.8
55.05515	9.9
57.03431	1.4
57.06839	0.7
57.07083	9.6
59.04985	1.9
65.03924	1.1
67.05176	1.1
67.05508	13.0
69.03430	6.9
69.07071	35.9
69.18287	2.1
69.18700	4.4
71.04995	1.7
71.08636	7.0
79.05493	8.0
81.03423	8.2
81.07059	45.7
83.04972	0.7
83.08622	11.2
85.02904	2.6
85.06544	11.8
91.05489	13.2
91.85426	0.7
93.07050	16.1
95.04990	0.9
95.08610	33.2
96.56612	0.7
97.02896	1.8
97.06536	3.8
97.10155	4.4
99.08099	6.3
105.07051	4.5
107.04954	0.8
107.08599	16.5
109.02885	2.3
109.10157	20.1
111.08084	10.3
111.11707	2.5
114.86893	0.7
119.04945	25.9
119.08595	3.3
121.10152	9.0
123.11713	25.9
123.12605	1.6
125.09633	1.0
125.13271	1.8
127.03911	1.6
133.10136	1.7
135.11699	9.0
136.07584	2.2
137.13258	10.1
138.09160	1.1
139.09470	0.9
139.11215	1.2
141.12741	1.8
147.04414	100.0
147.11671	3.3
148.04767	1.6
149.13277	8.6
151.14812	1.1
153.12756	5.7
161.13260	2.1
163.14824	3.7
164.07069	1.5
165.05518	2.3
165.07414	1.7
165.12750	1.0
166.07619	1.7
167.14314	1.7
171.97118	0.7
175.14867	1.2
177.16379	3.3
179.17944	0.8
189.07091	0.8
189.16348	0.9
191.17978	1.5
203.17981	1.2
205.19438	0.8
210.47154	0.7
221.09619	1.4
231.08078	0.8
234.07014	0.7
249.09239	0.9
257.31094	0.7
264.50687	0.7
273.25818	1.6
277.08908	1.2
279.26959	0.8
281.11700	1.1
291.08533	5.2
291.19489	0.9
291.26797	5.6
309.11169	3.0
309.27936	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	Icosadienoic acid
Peak:m/z	Relative Intensity
53.03934	5.6
53.80424	1.3
55.01865	3.9
55.05515	31.2
55.83089	1.2
57.03423	5.4
57.07079	22.4
59.04982	3.0
60.20094	1.3
61.02906	1.3
65.03944	2.6
67.05509	42.3
69.03423	6.1
69.07072	58.0
69.29856	12.5
71.04983	5.0
71.08634	15.2
79.05496	24.2
81.03416	5.8
81.07060	100.0
83.04985	8.1
83.08624	31.3
85.02918	2.1
85.06541	3.3
85.10174	10.8
91.05485	27.2
93.06493	2.4
93.07049	35.7
95.04966	6.8
95.08611	86.1
96.08965	1.3
97.02856	1.4
97.06533	7.5
97.10178	17.0
99.04488	1.3
99.08091	4.2
103.05454	2.0
105.04533	1.6
105.07037	27.6
107.04964	26.1
107.08604	25.7
109.02894	1.9
109.06533	10.3
109.10162	55.6
111.04433	2.0
111.08089	6.4
111.11711	10.3
117.07042	3.5
119.04931	12.4
119.08584	22.4
121.06493	3.2
121.10142	22.3
123.08083	6.6
123.11710	28.4
125.09599	3.2
125.13291	3.9
127.03954	1.7
127.07545	4.6
129.07005	2.5
130.75819	1.6
131.04919	1.4
131.08563	4.9
133.06531	1.8
133.10152	17.6
135.08049	1.7
135.11694	11.6
137.05962	2.2
137.09685	6.7
137.13272	13.5
139.11197	1.9
141.09119	4.2
143.08548	1.9
145.06461	2.5
145.10139	7.4
147.04419	44.1
147.08041	2.3
147.11681	20.8
149.09570	1.5
149.13249	11.4
151.11214	5.4
151.14828	3.9
155.10667	3.2
157.06447	1.6
157.10123	2.6
159.11685	4.0
161.05949	1.5
161.09656	1.8
161.13269	11.7
163.14806	5.7
165.06920	2.0
165.12788	7.3
165.16435	2.1
169.10149	1.7
171.11604	1.8
175.11160	1.7
175.14848	5.1
177.16379	4.8
178.07716	1.6
179.14395	2.1
179.17947	3.0
183.08171	1.7
185.05867	1.4
189.16379	3.5
191.17976	1.6
193.15956	1.6
195.08093	1.5
199.14781	2.0
203.17950	5.2
205.12257	4.4
206.07248	3.1
209.09726	2.7
217.16010	2.0
217.19569	6.0
219.08070	2.2
221.09633	5.7
223.07639	1.5
225.12636	1.7
231.13652	2.4
234.06764	2.2
235.07559	3.1
235.16971	2.0
249.09109	7.3
249.25748	5.6
250.09915	1.4
251.07196	2.1
262.06375	1.5
263.27341	2.2
266.09348	2.3
273.18524	2.6
273.25781	15.3
277.08551	9.1
281.11719	5.4
291.08682	2.2
291.19644	3.0
291.26843	15.7
294.05362	1.7
294.08792	4.1
309.11169	23.4
309.14743	5.8
309.18311	3.0
309.22247	7.7
309.27994	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	310.1473
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03934	1.4
55.05516	5.5
56.05031	1.4
58.99579	3.1
67.05476	0.9
69.03429	2.4
69.07064	2.7
70.02950	5.8
70.06596	7.0
70.30128	4.0
72.08147	1.8
79.05486	1.8
81.07084	1.6
83.05002	7.4
84.04504	1.2
84.08150	6.5
85.08502	1.3
86.09710	4.9
88.03996	32.6
91.05473	2.8
93.07034	3.2
95.08596	2.3
97.01112	1.1
97.02915	1.2
98.97556	1.1
103.05463	1.2
105.07038	20.4
107.04966	2.3
107.08596	9.0
107.10901	0.9
108.08099	3.1
109.06567	1.2
110.07167	1.7
111.02674	4.8
117.05054	1.0
117.07042	1.2
119.08593	11.1
120.08129	2.7
121.10147	4.6
122.02687	1.3
122.09660	3.7
123.08073	1.0
124.07520	1.1
125.04238	7.2
129.10254	3.4
131.08612	1.7
133.06465	3.7
133.10144	4.5
136.06187	3.3
136.07582	1.2
137.04213	26.3
139.05774	19.3
139.12254	1.0
140.05295	1.6
145.10115	5.6
147.04411	3.3
147.08101	2.5
147.11697	16.8
148.04762	2.0
149.04184	1.7
150.09175	1.7
151.05814	1.4
155.05165	1.1
159.11708	8.1
161.09613	4.6
161.13280	10.7
163.05826	3.8
165.07387	2.3
166.06888	3.3
167.05260	2.0
170.08148	1.5
173.09581	1.3
174.10425	2.8
179.05354	1.3
179.08862	5.4
180.08481	2.3
181.10458	10.2
187.11209	6.3
188.11984	2.4
189.12737	23.7
191.14281	5.1
193.10519	5.6
205.14642	4.0
206.15463	1.9
208.07953	3.6
209.06364	1.2
212.07397	11.1
221.09982	13.8
223.11519	32.8
226.09000	7.8
251.10999	2.0
252.10625	5.4
254.08348	1.7
264.14227	4.6
275.10739	1.0
292.13879	1.6
293.12155	4.2
310.14737	100.0
311.15140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1472
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.01835	1.2
55.05511	14.3
56.33187	0.8
57.07067	3.4
58.99589	11.1
65.80521	0.9
67.05483	1.3
68.05023	9.8
69.03419	1.9
69.07060	3.1
69.72356	6.3
70.02939	1.7
70.06582	4.2
72.08136	1.8
74.86959	1.1
79.05486	3.0
81.07056	7.1
82.06604	0.9
83.04501	2.0
83.04983	34.2
83.08609	1.6
84.04462	1.0
84.08137	3.9
85.06512	0.9
86.00648	1.2
86.09694	3.5
86.99050	6.6
88.03991	6.5
91.05479	5.9
93.07032	3.7
95.08599	4.1
97.01102	2.0
100.02209	7.1
103.05493	1.8
105.00115	5.8
105.07042	7.2
107.04980	1.9
107.07320	1.3
107.08567	5.5
107.34103	1.0
108.08094	3.3
109.06506	4.7
110.07181	1.4
110.09639	1.1
119.04920	2.5
119.08592	5.7
119.09277	0.9
120.01149	1.0
120.08105	2.7
121.06498	1.7
121.08897	6.7
121.10158	2.1
122.02705	1.3
122.09677	7.0
122.29082	0.9
123.08073	6.2
123.11698	1.3
124.07582	3.7
124.11263	1.5
125.04205	1.4
125.09724	1.4
126.03741	18.3
129.10204	1.3
132.08095	1.4
133.06485	4.6
133.10130	2.8
136.07526	1.8
137.04199	67.9
137.13269	2.7
138.09174	1.5
139.05765	5.2
145.10127	1.8
146.02695	16.1
146.09702	1.0
147.04407	4.4
147.11694	6.8
148.04720	2.0
148.07605	1.1
150.09125	4.0
151.05867	1.0
156.09322	1.2
159.08031	1.1
159.11650	2.6
161.13266	4.2
163.05766	4.6
165.03743	9.0
165.07326	2.1
165.12756	11.7
166.06805	1.3
166.08669	1.7
167.05244	1.9
170.08109	3.7
170.10999	1.0
172.04277	61.1
174.10431	1.3
175.03932	3.8
177.05417	1.3
178.53494	1.0
179.08929	4.9
182.10036	1.1
184.09659	1.1
187.11235	2.6
189.12752	11.1
190.12283	1.9
191.14302	1.3
193.10474	1.6
203.09006	1.3
205.14534	1.4
206.15486	4.7
207.06529	1.3
209.06288	9.5
212.07417	3.8
213.12537	1.5
219.08052	1.6
221.09993	9.0
223.11545	9.3
226.08946	4.1
227.08517	1.2
228.10503	6.5
246.13129	1.3
247.11574	1.5
251.09044	15.2
254.08420	3.6
264.14075	5.3
271.46631	1.1
292.13724	2.5
293.12036	3.7
310.14706	100.0
317.48810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2529
Annotation	Holaromine
Peak:m/z	Relative Intensity
55.01848	1.2
55.05507	2.6
57.03429	1.8
57.07061	1.0
57.16608	0.6
58.14782	0.6
62.52656	0.6
65.03889	0.6
67.05506	4.0
69.07070	3.5
70.04136	2.3
70.06604	7.0
73.39010	0.7
79.05492	7.7
80.05019	1.0
81.07076	5.2
83.04979	0.7
83.07355	1.5
85.06535	1.7
86.06882	1.0
91.05468	6.3
92.05843	0.7
93.07043	5.6
94.06545	0.7
95.04939	1.7
95.08614	2.7
96.05280	1.2
96.08122	3.3
97.06541	0.6
105.07048	6.7
107.04958	1.1
107.07968	0.6
107.08577	3.8
108.08091	1.4
109.06519	1.9
110.06792	0.7
110.09702	0.7
113.06039	4.0
114.06342	0.9
115.05451	0.9
117.07029	2.8
118.06515	0.8
119.08585	6.4
119.79096	0.6
120.08099	2.0
121.10120	1.0
122.09684	5.7
128.06203	1.2
129.07007	6.3
131.08575	6.8
133.09036	0.6
133.10126	2.7
134.09656	1.2
135.08038	1.9
136.06119	0.9
136.08415	0.8
136.11205	1.1
137.05980	1.2
137.11990	1.3
138.06404	1.5
139.06502	1.8
140.06726	2.3
141.06999	1.1
142.07799	1.4
143.08551	5.5
144.09348	1.1
145.10118	5.1
146.09668	2.9
147.11711	1.6
148.11223	1.8
149.13249	0.8
150.12767	1.1
155.08621	0.9
157.08955	0.9
157.10135	6.0
159.11664	1.1
160.11200	1.8
161.13330	1.8
162.12764	1.3
169.10136	1.0
170.09695	1.2
171.11690	2.2
173.13289	5.6
174.12767	3.7
175.14899	1.4
176.14334	0.8
183.10274	0.7
184.11188	0.8
185.13243	1.8
186.12775	7.9
188.14328	1.6
198.12811	1.8
199.14861	1.0
200.14294	1.8
209.11682	2.0
212.14413	3.3
212.16132	0.6
216.80106	0.6
218.16348	0.7
224.14339	1.6
226.15974	3.6
227.17950	1.3
228.17499	2.7
237.11200	1.9
238.15971	2.2
240.17532	5.4
241.18332	2.4
252.17464	3.1
254.19107	3.3
266.18973	1.3
275.20132	1.3
280.20618	4.0
281.21344	0.8
292.19843	2.6
292.22839	1.9
308.23575	1.4
310.25302	100.0
311.25510	1.4
319.47867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01869	1.5
55.05507	1.8
56.05030	3.4
58.99573	1.6
67.05512	1.4
69.03436	2.0
69.07061	2.8
69.82928	4.6
71.04997	0.8
76.02225	2.3
76.03996	1.7
79.05491	3.1
80.74490	0.7
81.03413	2.3
81.07060	3.7
84.08151	0.8
85.01131	15.2
85.02909	1.5
86.99047	1.1
91.05479	1.9
93.07034	2.5
95.08627	2.9
96.55074	1.0
98.20806	0.9
99.04498	1.0
102.03779	37.2
102.05547	19.6
105.04566	1.0
105.07028	3.0
107.04960	100.0
107.08577	0.9
109.06493	0.9
109.10145	1.5
115.05443	1.0
116.01682	5.0
119.04975	1.1
119.08578	1.1
121.06517	1.7
121.10247	1.0
122.03685	1.4
125.09614	1.0
127.03941	1.4
129.07037	1.3
131.08583	1.3
133.06479	2.2
135.08046	1.0
137.05983	18.4
137.13347	1.0
144.01218	1.1
145.06528	0.8
145.10112	1.1
147.04427	2.0
148.04785	1.6
149.05002	1.7
149.06058	1.3
155.04959	1.4
157.06538	0.8
159.08076	1.7
161.05986	2.9
162.02249	1.1
162.05536	6.2
165.07074	1.3
165.66705	0.8
171.04320	1.0
179.08685	1.0
181.06575	0.8
183.08160	1.3
187.07599	5.4
187.08968	0.8
188.03738	5.3
189.07021	1.0
190.07777	5.2
191.08554	9.9
191.10156	1.2
192.19868	0.7
202.07768	0.9
203.08571	1.0
205.06433	67.2
206.06915	0.9
207.08000	1.1
208.06096	1.9
208.08844	1.9
209.09636	1.1
211.11105	0.9
218.07285	3.2
219.08044	13.6
220.08875	1.4
223.07744	1.0
235.07564	1.4
236.08331	3.9
247.05428	1.1
247.07526	5.0
250.06271	1.8
251.10689	16.8
253.08539	2.5
264.07803	2.0
265.08600	1.4
265.15607	0.9
278.05676	1.1
279.07156	1.2
279.10199	14.4
280.10706	1.3
281.08118	3.3
283.10193	0.9
293.11914	0.9
296.10541	1.5
311.09351	4.5
311.12784	18.3
311.16360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09509	1.1
51.58490	1.1
69.07066	1.6
70.06599	1.3
71.47779	2.0
74.44000	1.1
79.05492	3.5
81.07054	5.2
81.39413	1.1
85.34117	1.2
86.17167	1.2
91.05484	4.7
93.07092	1.4
94.04181	4.1
103.05481	1.9
105.07036	5.2
107.04969	5.1
107.08607	1.2
109.06532	4.5
115.05453	1.7
121.06509	1.4
121.10114	1.3
122.03654	10.0
128.06273	3.2
129.07001	3.9
131.04942	1.9
131.08612	1.2
133.06487	6.3
137.05988	100.0
144.05714	3.8
145.06503	2.6
147.04437	1.3
149.05995	6.5
155.04927	8.0
155.06038	1.7
159.08069	6.9
161.05995	13.5
163.07523	1.3
165.07022	4.5
172.05168	2.8
175.07632	3.8
177.07040	1.4
179.08571	1.5
180.09340	1.7
187.07550	31.0
189.07028	8.0
190.07767	24.8
191.08563	51.1
194.07246	1.5
201.06927	2.1
202.07861	3.0
203.08583	1.8
205.06546	5.4
206.07133	1.2
207.08116	5.2
208.08804	8.3
218.07271	15.0
219.08055	63.3
220.08809	6.8
221.06064	3.7
222.06699	1.9
225.09146	2.0
231.08150	1.6
233.09723	3.2
235.07477	7.5
236.08321	13.6
237.09084	6.8
246.06697	2.2
247.07564	26.8
248.08310	3.9
249.05336	1.2
249.09276	2.5
251.10684	86.3
253.08633	10.0
261.09195	2.9
263.06918	1.8
264.07773	11.2
265.08572	10.0
267.10156	2.4
268.10931	2.6
276.07425	2.6
279.10172	70.5
280.10910	11.2
281.08133	15.9
283.09790	1.6
283.13440	1.8
294.08426	3.6
295.09674	4.6
296.10428	15.5
311.12848	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01853	1.0
69.36391	8.9
69.36713	2.4
72.45195	1.1
79.05486	2.9
81.07035	2.0
91.05475	2.8
94.04193	5.8
105.07040	6.2
107.04947	2.3
109.06519	5.2
115.05428	3.1
116.06234	2.1
121.06435	1.6
122.03671	10.6
128.06223	2.8
129.06993	3.8
131.04936	1.5
133.06474	5.5
135.04422	1.1
137.05980	100.0
144.05687	3.2
149.05952	5.0
155.04895	6.3
159.08040	7.4
161.05971	12.9
165.06999	3.9
172.05223	2.1
175.07585	4.2
177.06969	1.2
178.07906	1.1
179.08496	1.5
180.09373	1.6
183.82126	1.1
187.07552	28.5
189.07040	7.1
189.08516	1.5
190.07770	24.9
191.08559	49.5
201.07054	2.6
202.07771	2.5
203.08623	1.4
205.06473	1.4
207.08101	7.7
208.08856	7.2
217.06602	1.5
218.07277	14.9
219.08054	67.5
220.08823	8.5
221.05988	3.3
223.11163	1.2
225.09210	1.5
229.07640	1.6
233.09520	2.8
235.07541	7.8
236.08290	14.6
237.09105	2.1
246.06747	2.0
247.07539	30.2
247.09947	1.9
248.08232	4.3
249.05405	1.8
250.09921	1.6
251.10674	90.9
253.08650	7.8
261.09167	4.1
263.06992	1.7
264.07837	9.2
265.08682	2.7
268.10953	1.8
279.10162	76.6
280.10834	5.7
281.08148	10.7
283.13318	2.0
295.09564	1.9
296.10428	14.6
311.12784	73.3
312.13190	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
52.29947	1.2
53.08830	1.1
65.03963	1.5
66.66014	1.1
66.89940	1.0
67.05488	1.3
69.03441	1.1
70.22057	3.9
72.45437	1.2
79.05469	3.0
79.51165	1.1
81.03417	1.2
81.07048	3.4
91.05463	5.2
93.07035	2.5
94.04187	4.7
100.02344	1.0
101.63913	0.9
103.05464	2.0
105.07050	7.7
105.23792	1.1
107.04948	8.9
109.06522	4.3
109.10147	2.7
115.05451	2.6
116.06227	1.0
118.08502	1.1
121.06504	2.2
122.03664	10.0
123.11698	1.8
128.06279	1.5
129.06989	4.5
130.06532	2.2
131.04913	2.7
131.08612	1.8
133.06490	5.4
137.05983	100.0
144.05724	2.7
145.06487	2.5
149.05998	5.8
151.07533	1.5
155.04941	7.8
156.05649	1.7
157.06468	2.9
159.08061	6.3
161.06013	11.1
165.06996	3.9
171.04482	1.2
172.05225	3.1
175.07542	4.2
179.08615	1.8
187.07549	24.9
188.07112	2.1
189.07008	6.0
189.08640	1.1
190.07780	24.0
191.08554	47.2
193.06610	1.7
197.09605	1.7
202.07848	2.5
203.08582	2.8
205.06505	3.5
207.08051	4.8
208.08801	6.2
213.06946	1.4
217.06554	1.6
218.07306	13.7
219.08057	57.8
220.08818	5.2
221.05954	1.7
221.09581	1.4
225.09236	1.4
227.01198	1.5
229.07664	1.6
231.07979	1.6
233.09741	2.2
235.07545	8.8
236.08340	15.4
237.09076	2.7
246.06693	2.0
247.07547	30.0
248.08180	3.1
249.05510	1.9
251.10681	80.7
252.11241	2.0
253.08617	8.2
261.09137	4.5
263.06952	1.8
264.07846	11.2
265.08624	3.6
267.10117	1.5
270.08939	1.1
272.04895	1.2
279.10168	68.5
280.10855	4.4
281.08051	12.2
281.11151	1.8
283.09811	2.1
295.09781	1.8
296.10437	11.9
311.12799	64.1
312.13049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01873	2.1
55.05510	1.9
65.86867	0.9
67.05519	2.3
69.07073	1.9
69.99256	2.4
69.99678	2.3
79.05492	3.3
81.07059	4.8
83.08569	1.2
86.64651	1.2
91.05489	7.4
93.07033	2.4
94.04176	5.3
95.08608	2.2
97.44186	0.9
103.05461	2.3
105.07021	8.3
107.04952	4.1
107.08619	1.6
109.06522	4.8
109.10134	1.6
115.05463	4.0
117.07035	1.0
119.08590	2.0
121.06496	2.9
122.03650	10.5
127.05323	1.3
128.06219	3.7
129.07014	6.2
131.04927	2.2
131.08556	1.9
133.06522	7.2
137.05988	100.0
144.05725	4.3
145.06572	1.5
145.10052	1.0
149.06012	5.6
149.09572	1.0
150.06694	1.1
153.06929	1.3
155.04926	9.5
156.05733	2.0
159.08064	9.6
161.05991	16.4
161.54509	0.9
165.06966	4.8
167.07011	1.1
172.05180	3.0
175.07571	4.0
175.71169	1.0
178.07803	1.2
179.08656	2.5
183.08217	1.2
187.07541	30.0
189.07018	9.1
189.08899	1.9
190.07796	27.5
191.08566	53.9
192.09236	1.6
194.07254	1.0
197.09564	1.0
201.07004	2.2
202.07796	2.9
203.08585	1.1
205.06525	2.8
207.08080	7.1
208.08868	7.8
209.09663	1.6
217.06461	1.0
218.07291	15.2
219.08066	69.3
220.08832	7.7
221.06000	2.8
223.11250	1.4
225.09074	1.8
231.08116	1.9
233.09674	3.7
235.07565	9.4
236.08347	16.7
237.09024	2.9
246.06718	2.7
247.05049	1.5
247.07562	28.6
248.08221	5.2
251.10683	94.4
253.08659	7.4
261.09100	4.3
263.06857	1.3
264.07825	8.0
265.08597	3.7
268.11008	1.8
275.20111	1.7
277.08582	1.2
279.10181	71.9
280.10855	6.7
281.08118	8.0
283.09769	1.2
283.13300	3.2
293.21121	1.4
295.09839	1.6
296.10422	11.0
311.12787	66.9
312.13135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
52.08891	1.2
55.01888	1.3
55.05508	5.2
56.09497	1.3
57.03443	2.1
57.07081	9.7
58.93451	1.1
67.05503	5.6
69.07063	5.7
70.67386	2.8
79.05492	6.0
81.07054	10.8
83.08614	4.8
91.05489	6.5
93.07052	5.8
94.04198	4.5
95.04921	2.0
95.08604	9.9
97.06543	1.6
97.10141	2.1
103.05447	1.9
105.07042	13.9
107.04940	3.0
107.08588	5.3
109.06503	5.2
109.10149	5.4
111.04425	4.3
115.05477	3.1
119.08584	3.8
121.06501	2.0
121.10151	5.1
122.03664	10.8
123.11675	1.5
125.06024	1.8
128.06195	2.6
129.06998	6.0
131.08569	5.6
133.06500	4.0
135.04430	5.9
135.11670	3.6
137.05981	100.0
144.05719	3.8
145.10139	4.3
147.11674	2.7
149.05986	3.1
149.13225	1.4
153.05463	2.4
155.04889	7.6
157.10106	2.7
159.08040	8.0
159.11671	2.7
161.05989	14.4
161.09608	4.1
161.13271	1.3
165.06938	3.0
170.15364	1.3
171.11691	2.3
172.05197	2.1
173.13417	2.9
174.52512	1.4
175.07608	3.1
175.14815	1.3
179.08598	2.3
181.04961	1.6
185.13222	1.9
187.07547	24.9
187.14803	1.4
189.07039	5.6
189.09142	1.6
190.07764	23.6
191.08562	49.0
199.14960	1.6
201.16397	1.8
202.07758	2.1
205.06477	4.4
207.08070	5.2
208.08757	7.1
209.11694	20.1
211.14882	2.0
213.16328	2.1
218.07300	13.0
219.08052	68.8
220.08795	4.5
221.06035	2.9
223.11089	2.1
225.09027	1.5
227.17923	1.8
229.07629	2.3
233.09698	3.7
235.07542	9.9
236.08357	14.4
237.09108	2.1
237.11200	18.8
238.94298	1.7
246.06906	2.4
247.07567	25.8
247.09966	2.3
248.08223	3.3
251.10677	91.1
253.06319	1.4
253.08536	7.5
255.21094	2.1
261.09149	4.6
263.07010	2.4
264.07761	9.4
265.08615	3.7
267.10245	1.8
268.11084	2.0
269.22314	1.5
277.08633	1.5
279.10172	76.7
280.10944	3.7
281.08124	9.3
283.13202	1.6
296.10394	9.2
311.12799	76.1
311.20197	2.8
311.23782	6.7
311.27277	14.9
312.13101	1.9
324.38477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01870	2.8
55.05502	0.9
65.03924	1.2
69.03420	1.5
69.07042	1.3
70.06568	2.2
79.05482	3.1
81.03412	1.3
81.07043	3.6
85.02896	2.5
85.07659	5.3
91.05469	6.8
94.04184	6.6
95.04959	1.8
98.21513	2.1
103.05466	1.7
105.07021	7.2
107.04959	12.1
107.08570	1.1
109.06513	5.9
109.10145	1.0
115.05433	3.0
116.06232	1.2
118.06519	1.6
119.04933	1.4
119.08614	1.1
121.02853	1.1
121.06482	1.8
122.03661	10.4
123.04324	0.9
127.05445	1.0
128.06213	3.1
129.07002	4.5
130.06540	11.2
131.04959	1.9
131.81885	0.8
133.02849	1.7
133.06470	6.7
137.05977	100.0
144.05727	4.5
144.08096	1.2
145.06438	1.4
146.03659	1.3
146.05992	2.9
149.06012	6.8
151.07539	1.6
155.04916	9.0
155.06049	1.3
156.05708	1.1
159.08031	9.2
161.05981	13.0
165.06992	4.5
167.07045	1.0
171.04439	1.1
172.05202	4.2
175.07579	3.8
177.06967	0.9
178.07758	1.0
179.08519	1.8
187.07529	30.5
188.07013	5.7
189.06993	7.4
189.08687	1.1
190.07776	26.4
191.08551	55.8
193.06483	1.1
193.10165	1.2
195.08005	0.9
201.06956	2.4
202.07745	2.7
203.08604	1.5
205.06563	3.9
205.09792	2.5
207.08081	6.6
208.08784	6.6
216.60291	0.9
217.06454	1.4
218.07251	16.7
219.08049	70.6
220.08884	6.4
221.05989	1.9
222.11238	0.8
223.11086	1.3
223.70287	0.8
225.09120	2.0
229.07593	2.3
231.07909	1.3
233.09642	1.8
234.09131	2.5
235.07541	8.7
236.08351	14.2
237.09053	2.8
246.06770	2.9
247.07562	29.9
248.08281	3.4
250.09833	1.4
251.10675	94.9
252.10881	0.9
253.08560	7.4
261.09088	3.2
263.06964	2.4
264.07819	9.2
265.08545	4.5
266.05713	0.9
267.10184	1.9
268.10965	1.4
279.10172	75.1
280.10687	5.3
281.08047	11.6
283.09644	1.2
283.13531	1.7
294.11240	2.4
295.09610	1.2
296.10416	12.2
311.12756	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	1.0
57.07088	1.3
66.19563	0.6
67.05497	1.4
69.03422	1.0
69.07044	1.9
70.06592	2.0
71.04987	0.6
71.48548	1.2
72.08173	0.7
74.59867	0.7
76.85215	0.7
79.05489	2.7
81.07036	2.2
84.08145	1.1
85.07674	1.8
91.05478	3.1
93.07050	1.4
94.04171	1.0
95.04973	1.6
95.08595	1.6
95.17994	0.6
98.97663	0.6
105.04488	0.9
105.07037	2.4
107.04961	64.2
107.08601	1.0
109.06485	1.4
112.90843	0.7
115.05454	1.9
117.07010	0.8
118.06553	4.7
119.04935	1.3
121.02891	0.9
121.10112	1.1
122.03660	2.8
123.04422	1.5
123.11685	1.1
129.06966	1.6
130.06532	100.0
131.04913	2.4
132.08119	2.3
133.06474	1.7
135.11653	1.0
137.05983	20.8
144.08101	7.0
145.06468	1.0
145.62093	0.7
146.06013	20.7
147.04373	1.2
149.05997	1.3
154.06531	2.9
155.04942	1.5
156.08008	0.9
157.06508	0.7
158.06038	3.6
159.08063	1.6
159.09209	1.1
161.06010	4.3
165.07024	1.6
170.06033	1.7
175.07520	0.8
176.18719	0.7
182.54930	0.8
187.07584	5.6
188.07071	32.5
189.07082	1.5
190.07819	4.6
191.07242	0.9
191.08603	9.8
195.08110	1.0
200.07137	4.5
205.09764	11.4
206.09637	8.7
207.08066	1.8
208.08757	1.6
209.09627	1.5
216.08124	1.3
218.07242	3.4
219.08096	14.2
220.08926	1.4
222.09192	1.8
223.07492	1.2
230.09657	0.8
233.08235	1.3
234.09145	21.6
235.07710	1.2
235.09807	1.7
236.08388	2.5
236.10582	1.1
237.09146	2.4
247.07568	5.5
248.08487	1.1
248.10756	4.7
251.10693	19.4
252.10565	0.8
253.08644	1.4
263.07013	0.9
264.07758	2.2
264.99341	0.7
265.08575	1.9
279.10150	15.6
280.10883	0.9
281.08200	2.2
283.09552	0.8
294.11246	32.2
296.10461	2.9
311.05984	1.0
311.09326	1.7
311.12735	18.1
311.16254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26625	0.9
53.03933	1.5
55.01852	0.8
55.05508	1.0
57.03438	1.3
57.07073	0.8
59.04945	0.9
67.05511	1.7
69.03446	1.2
69.07069	1.1
70.06593	2.0
71.04964	1.1
71.08613	1.1
71.48596	1.1
72.08203	1.2
79.05474	2.7
81.03385	0.9
81.07056	3.2
84.08132	1.1
85.02904	1.2
85.06554	1.0
85.07648	1.3
86.09728	1.3
91.05487	3.0
93.07037	1.8
94.04202	2.1
95.04955	2.0
95.08624	1.5
97.02901	1.4
103.05481	1.9
105.04543	0.9
105.07033	4.6
107.04957	65.5
107.08569	1.5
109.06516	2.2
109.10180	1.2
115.05438	1.0
117.07004	0.9
118.06537	3.5
120.08075	1.0
121.02876	1.2
121.10174	1.3
122.03621	2.0
123.04439	1.1
123.11712	2.6
126.57339	0.7
127.07539	0.9
128.04965	0.8
129.07008	2.0
130.06526	100.0
131.04941	2.3
132.08099	1.8
133.06520	2.0
133.10083	1.1
137.05975	25.1
143.07356	1.4
144.05684	0.8
144.08073	6.9
144.47215	0.9
146.06006	18.6
149.05988	1.4
149.09567	1.5
154.06529	2.8
155.04903	2.0
158.06012	3.8
158.07213	1.0
158.84875	0.9
159.08060	1.9
159.09233	1.7
161.05969	4.3
164.09668	0.8
170.06042	2.0
172.05168	1.0
187.07541	4.9
188.07071	29.6
189.07074	2.3
190.07774	5.8
191.08571	13.3
200.07071	3.6
205.09747	11.9
206.09634	7.8
207.08131	2.2
208.08910	1.7
217.09004	1.2
218.07300	3.1
219.08044	16.6
220.07506	1.7
222.09114	2.3
233.08524	0.8
234.09129	21.3
235.07516	2.5
235.09782	1.6
236.08366	4.2
236.10649	1.6
237.09039	4.1
247.07565	7.2
248.10658	4.0
251.10670	19.6
253.08693	1.6
261.08969	1.6
264.07800	2.2
265.08636	1.7
279.10153	18.7
280.10782	1.5
281.08176	3.0
294.11237	34.3
296.10333	4.1
311.05786	1.5
311.09290	3.1
311.12851	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03938	1.7
55.01859	9.1
55.05516	23.6
57.03430	1.8
57.07077	29.9
64.30015	1.9
64.72528	1.9
65.03954	1.9
67.05506	14.7
69.03409	2.6
69.07059	6.7
69.81403	5.9
69.81815	3.0
71.04972	4.6
79.05499	12.6
81.03435	3.4
81.07044	14.0
83.04980	16.4
83.08617	13.1
85.02908	2.3
85.06544	2.0
87.97933	1.7
91.05458	9.1
93.07058	15.9
95.04970	29.5
95.08601	7.2
97.06504	4.3
97.10192	10.3
99.04422	3.2
105.07059	8.6
107.04946	6.3
107.08602	16.8
109.02872	4.3
109.06503	4.5
109.10145	5.6
111.04452	35.4
111.08084	4.0
117.06997	2.7
119.08603	8.3
120.27599	1.7
121.06468	2.7
121.10148	11.3
123.08045	3.5
125.05968	8.0
125.09653	9.8
127.55000	1.8
131.08557	6.0
133.10117	6.5
135.04390	3.6
135.08109	3.5
135.11679	6.3
137.05927	1.9
139.11163	1.9
145.10118	11.0
147.08051	2.8
147.11667	4.8
149.02386	2.1
149.09644	14.2
152.53246	1.7
153.05452	18.4
153.12703	4.2
159.11639	2.7
163.11198	18.3
171.10141	2.3
171.93570	1.6
177.12585	2.3
181.04924	4.0
181.12260	12.8
189.11235	6.7
191.10677	15.2
193.04990	2.4
205.12218	3.0
209.11734	100.0
223.13300	37.6
237.11217	81.6
255.12288	11.9
257.19101	3.7
275.20056	32.0
293.17529	6.0
293.21085	30.9
311.12619	2.0
311.18646	3.7
311.21887	3.6
311.25021	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03958	1.8
55.01877	4.7
55.05515	21.1
57.03430	2.3
57.07083	9.9
64.94315	1.4
67.05503	15.3
69.03429	2.9
69.07065	7.9
69.67075	8.6
70.07387	2.4
71.04967	2.0
71.08624	9.3
79.05504	14.8
81.07054	18.1
82.07384	3.8
83.04972	5.5
83.08632	7.1
91.05479	6.1
92.05821	2.8
93.07058	9.1
95.04987	5.2
95.07629	1.7
95.08603	9.3
96.08991	2.2
96.27814	1.6
97.06525	1.9
97.10183	10.4
98.21468	3.7
99.08093	5.9
105.07027	6.6
107.04960	5.1
107.08607	10.4
107.30698	1.5
109.06510	2.9
109.10152	7.8
110.10445	2.2
111.04446	8.6
111.10831	2.2
119.08585	4.3
121.06512	6.8
121.10142	3.0
123.08027	2.6
125.05996	1.9
125.09650	6.4
130.52554	1.6
131.08539	2.7
133.10106	6.1
134.10416	2.7
135.04391	1.9
135.08075	2.7
135.10774	2.3
135.11696	2.7
137.05963	3.3
141.84219	2.0
143.08606	1.6
145.10138	4.0
151.11188	2.2
157.10158	3.4
159.11711	2.6
161.09619	2.1
177.12823	2.1
181.12329	1.9
189.11212	3.9
191.10672	2.8
209.11729	24.3
219.08131	2.6
237.11249	18.4
255.12299	3.3
261.70456	1.6
265.20660	1.7
275.19739	8.9
279.10217	2.5
293.21094	100.0
311.05493	2.3
311.13104	2.6
311.21191	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03938	5.5
55.01870	11.3
55.05513	27.2
57.03424	4.9
57.07077	30.7
57.73095	2.8
63.73638	2.8
67.05505	42.5
68.05827	3.8
68.99780	3.3
69.06794	2.6
69.07073	29.1
70.06607	6.3
70.26015	5.9
70.26341	5.6
71.04977	8.8
72.75241	2.6
79.05490	36.1
80.05830	3.0
81.07053	51.5
82.07391	3.5
83.04959	21.9
83.08623	16.1
85.06573	6.3
91.05489	27.2
93.07047	35.4
93.20271	2.8
95.04959	12.2
95.08614	30.3
97.06525	8.2
97.10168	4.9
98.20809	4.2
105.07048	35.8
106.07374	3.1
107.04958	73.0
107.08593	24.6
109.06505	11.2
109.10139	20.4
111.04450	23.9
111.08110	7.3
117.07033	9.9
119.08608	24.9
120.08891	3.8
121.06489	11.3
121.10146	15.3
122.03648	3.9
122.45034	2.8
123.08066	5.0
123.11773	5.3
124.16147	2.9
125.06011	9.2
125.09619	6.9
127.07560	2.8
129.07025	6.8
131.08598	16.5
133.06459	5.8
133.10127	17.9
135.04408	6.4
135.08055	7.6
135.11671	12.0
137.05974	21.1
137.09610	6.8
139.11212	4.8
143.08578	3.5
145.06497	5.1
145.10115	21.0
147.08035	3.8
147.11696	8.2
149.02333	5.3
149.09586	10.4
149.13252	3.2
153.05463	14.7
157.06445	6.0
157.10110	9.3
159.08075	8.3
159.11693	7.1
161.06017	4.1
161.09540	4.7
161.13379	3.9
163.11194	18.8
165.06831	3.2
171.08022	4.9
171.11665	5.8
173.13231	5.4
175.11221	3.7
177.12715	3.0
179.08553	4.3
181.12262	9.1
183.08107	7.1
185.09633	3.4
187.07568	4.9
189.09096	7.1
190.07802	5.7
191.08594	11.5
191.10677	13.9
193.04988	12.1
193.10211	3.8
195.07974	4.8
197.09596	12.3
197.13170	4.1
198.10461	3.5
199.11118	3.8
205.12213	3.8
207.08011	3.9
208.08827	5.0
209.09625	9.3
209.11720	100.0
219.08012	15.9
223.07510	3.9
223.13329	8.3
237.08928	4.1
237.11203	78.7
247.07619	7.2
249.12814	4.3
251.10646	18.3
251.14311	10.7
255.12328	15.6
265.15698	4.8
275.20050	39.8
279.10141	13.6
293.17929	5.2
293.21027	14.0
311.05560	4.7
311.10037	10.4
311.12814	14.2
311.16449	23.6
311.25632	64.1
311.74625	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.10319	4.9
55.01876	27.2
55.05519	26.2
57.07083	24.7
58.22662	4.4
59.51788	4.8
60.97543	4.5
65.03925	6.0
67.05509	59.6
69.07068	38.6
70.04083	9.0
71.04977	8.3
71.21452	11.0
79.05495	28.7
81.03436	6.0
81.07061	100.0
83.04975	17.3
83.08617	15.9
85.06533	6.3
87.44377	5.7
90.37621	4.5
91.05484	36.2
93.07058	33.2
94.99535	5.2
95.04987	23.8
95.08601	44.8
97.06542	41.1
97.10183	6.7
99.08097	7.9
105.07034	36.1
107.04955	15.0
107.08613	32.2
109.06509	15.1
109.10144	17.1
111.04444	18.6
111.08103	7.6
117.07018	6.3
119.08601	25.9
121.10143	18.0
123.08057	14.4
123.11710	14.1
125.05976	6.4
125.09636	17.2
131.08563	17.5
133.10129	17.1
135.08083	9.7
135.11703	9.5
137.05978	16.2
137.09590	9.7
141.09085	5.8
145.10129	19.4
147.11708	19.1
149.09615	17.8
149.13316	6.9
153.05481	9.4
159.11707	14.2
161.13295	6.3
163.11192	16.7
169.10103	5.9
173.13397	6.3
177.12764	6.8
181.12244	8.5
191.08696	5.8
191.10556	9.5
209.11740	68.1
219.08006	5.6
219.13751	6.2
229.19438	5.8
233.89360	4.8
237.11214	53.3
237.14708	5.4
247.20573	6.5
255.12294	14.0
255.87935	5.3
257.19171	10.8
265.18115	7.7
275.20065	56.0
293.21121	42.8
311.05667	7.3
311.12817	7.4
311.25412	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63337	1.7
52.74646	1.8
53.03939	4.4
55.01860	5.3
55.05516	18.3
57.03431	3.8
57.07067	4.5
58.42256	1.7
60.05147	1.5
65.03915	2.5
67.05511	25.5
69.03414	4.0
69.07069	17.6
71.04988	5.0
79.05495	24.8
81.07060	36.3
83.04976	4.4
83.08630	10.9
85.06533	2.6
91.04968	2.6
91.05484	20.0
93.07045	20.2
94.04182	3.9
95.04964	5.0
95.08611	20.9
97.06516	6.4
97.10162	8.4
99.04459	2.6
103.05441	2.6
105.07047	30.0
107.04961	54.6
107.08609	11.6
109.06509	8.9
109.10157	18.0
111.08056	3.5
115.05495	4.4
117.07004	7.0
119.08596	16.0
121.06503	4.7
121.10145	6.8
122.03661	9.6
123.08053	4.5
123.11694	5.0
124.07597	3.6
125.07885	2.9
125.09621	5.7
128.06223	4.2
129.06976	8.1
129.88673	1.9
131.04973	3.2
131.08577	9.2
133.06500	8.2
133.10130	11.7
135.08089	2.4
135.11673	5.7
137.05984	97.7
137.09636	2.4
138.06308	2.1
141.06992	2.5
143.08516	2.9
144.05722	2.8
145.06470	3.7
145.10147	13.7
147.11690	7.7
149.05986	7.0
149.09560	5.0
149.13206	3.8
155.04906	5.3
155.10638	2.4
157.06464	5.7
157.10165	3.0
159.08057	13.1
159.11700	6.1
161.05991	16.4
161.09628	2.8
163.11153	4.4
165.07071	3.6
165.09183	1.9
165.12831	2.0
167.07077	1.8
167.08560	2.8
169.06511	2.1
171.08012	3.7
171.11720	4.5
172.05147	3.4
173.11752	4.3
173.13206	4.2
175.07578	3.3
177.16312	2.3
178.07774	2.3
179.08556	7.3
181.06483	4.4
182.07291	2.1
183.08051	4.7
185.09633	3.2
185.13370	2.1
187.07556	29.5
189.06995	6.7
189.11212	4.4
190.07767	27.8
191.08571	48.8
194.07271	4.7
195.08031	9.2
196.09032	2.8
197.09613	14.9
199.11189	2.7
202.07738	2.3
205.06496	3.2
205.12201	2.3
207.08025	7.3
208.08813	7.3
209.09673	9.3
211.11240	6.9
218.07256	17.1
219.08051	70.9
220.08824	6.6
221.09546	3.0
223.11194	5.8
225.09178	2.5
229.07594	2.3
233.09685	3.3
235.07455	10.2
236.08336	18.8
237.09050	4.0
247.07591	28.0
248.08252	5.0
249.12781	4.0
251.10683	100.0
251.14301	8.0
253.08598	8.8
257.19055	3.2
261.09067	5.7
263.06973	2.7
264.07834	8.3
265.08688	2.5
265.15903	4.9
275.20111	23.2
279.10162	66.6
280.10779	7.1
281.08182	9.0
283.09927	2.2
291.82922	1.9
293.11908	2.1
293.15579	3.7
293.21161	9.2
293.24667	5.2
296.10498	11.3
311.09384	2.7
311.12756	66.0
311.16397	21.0
311.23547	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	313.1547
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03951	0.3
69.03417	0.4
69.73864	1.0
72.07910	0.2
75.58081	0.2
77.03918	0.2
79.05466	0.3
79.09782	0.2
85.87601	0.2
91.05486	0.9
93.07050	2.3
93.30280	0.2
95.04979	0.2
103.05475	6.9
107.04948	0.3
117.03429	0.2
118.06525	0.3
120.08109	100.0
120.39210	0.2
121.06526	0.5
121.08421	0.7
131.04872	0.4
139.91653	0.2
141.13243	0.2
145.02919	0.2
149.06000	0.3
166.08650	4.3
177.05438	0.3
213.05261	0.2
220.05502	0.2
233.23668	0.2
235.07420	0.2
237.52826	0.2
253.08620	0.4
267.06674	0.3
267.14896	0.5
281.08167	0.4
283.06039	0.2
313.03592	0.3
313.07092	2.0
313.10553	0.3
313.11752	0.4
313.15408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.26170	0.9
56.05024	2.3
57.07066	2.1
58.06611	5.1
61.45082	0.9
67.05498	2.3
69.03430	2.0
69.07037	1.1
70.06579	3.9
70.14598	2.9
71.07011	1.1
72.08144	2.8
79.05484	2.3
81.07035	3.0
84.03461	0.9
84.04508	2.6
84.08136	4.5
85.02901	2.3
86.09700	4.2
91.05486	2.6
91.98359	1.0
95.04958	2.1
95.08592	3.3
97.02885	1.6
98.97572	1.0
107.04957	75.4
108.08114	1.5
109.06536	1.7
110.07179	2.5
115.05414	2.6
116.07078	1.9
116.98624	1.2
117.05764	2.2
120.08099	2.3
122.03355	0.8
123.04420	1.5
123.08076	1.9
129.10260	1.7
130.06543	1.1
132.04440	3.7
132.08092	32.1
134.06027	13.2
136.07532	6.4
137.05988	1.3
147.04373	2.3
149.04770	2.4
150.05493	3.3
150.09027	1.6
151.03874	2.5
151.06310	1.4
151.07542	24.9
151.09433	1.7
152.01671	1.3
152.07068	7.6
160.07574	27.2
161.05959	1.5
162.05481	8.8
162.09154	1.3
163.06276	7.9
164.07135	4.7
166.08649	10.5
176.07062	2.2
178.08638	100.0
179.08847	1.3
189.52524	1.0
192.10184	3.0
205.10461	1.9
207.11276	5.5
223.09055	1.7
249.12419	2.5
251.10986	2.0
258.11066	1.0
295.10071	1.2
313.15451	81.5
313.27328	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	313.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44533	4.7
51.59243	4.7
53.03950	10.6
55.01870	15.8
55.05511	41.6
57.03426	14.8
57.07073	11.8
58.92720	5.2
65.03940	5.9
67.05510	78.6
69.03436	10.1
69.07069	52.1
70.24741	4.9
70.40414	4.7
70.96995	7.1
71.04987	20.2
71.08624	9.4
75.74197	5.0
79.05502	52.6
81.03419	14.2
81.07062	100.0
83.04994	13.4
83.08614	23.9
84.08180	6.0
85.02928	6.3
85.06538	14.9
85.35444	5.0
91.05470	50.6
93.07043	67.9
95.04977	14.5
95.08607	91.8
97.06531	17.8
97.10178	15.2
99.08041	4.6
103.05460	9.5
105.07027	37.5
107.04958	25.6
107.08601	54.0
109.02879	18.3
109.06480	11.6
109.10152	42.9
111.04516	6.2
111.08070	12.5
113.06055	4.8
115.05447	6.4
115.07597	7.8
117.06992	13.6
119.08585	36.4
121.06509	7.1
121.10146	32.8
123.08089	12.5
123.11745	9.0
125.09698	8.7
129.06992	9.7
131.04941	6.1
131.08566	31.2
133.06491	9.4
133.10112	25.2
135.11684	21.8
137.05998	13.6
137.09639	8.1
143.08549	11.2
145.06442	8.6
145.10146	19.8
147.11702	21.0
149.09656	6.2
149.13286	15.8
151.03909	17.2
151.11197	7.0
157.06494	15.3
157.10132	14.6
159.08122	9.6
159.11678	10.0
161.06009	6.4
161.09642	6.2
161.13243	10.0
163.14781	10.5
165.07013	11.2
165.12854	8.7
171.08115	12.7
171.11708	10.3
173.05899	6.9
173.11906	5.5
173.13275	26.7
175.11205	6.2
175.14882	6.7
177.05475	7.5
179.08578	7.2
183.07990	8.1
185.09645	14.4
185.13312	10.5
187.14899	6.7
189.09119	5.3
191.14355	8.5
197.13284	5.1
199.14809	5.6
201.09030	7.1
209.15366	14.4
215.07106	7.7
225.09259	11.1
241.19341	8.0
249.22290	6.3
253.08711	14.5
259.20566	12.8
267.13794	8.4
270.08911	6.0
277.21701	38.5
285.15192	6.4
295.09979	7.2
295.13187	8.5
295.16986	5.8
295.22839	6.7
313.07257	7.5
313.11044	36.1
313.14371	23.0
313.17865	26.9
313.21707	28.2
313.25113	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	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
54.27385	2.2
55.01870	2.5
55.05507	17.5
57.03423	4.1
57.07072	13.1
65.03924	2.3
67.05514	27.4
69.07080	13.2
69.54521	10.5
69.54933	4.5
70.06565	2.2
71.08595	5.7
79.05499	21.8
79.20766	1.8
81.07059	59.6
83.08640	10.2
85.06558	16.7
91.05476	23.2
93.06491	3.5
93.07043	47.3
95.04947	4.9
95.08613	50.9
97.06509	4.8
97.10164	3.8
99.08092	2.6
105.07040	44.7
107.08604	44.3
109.06503	2.9
109.10158	28.9
111.08044	8.0
111.11678	2.5
117.06982	9.3
119.08576	40.1
121.10154	27.1
123.08129	3.6
123.11699	12.7
125.09557	2.2
129.06984	5.6
131.08571	24.8
133.10129	24.7
135.07964	3.6
135.11691	14.3
137.13248	2.6
142.07829	2.2
143.08574	17.7
144.09317	3.5
145.10132	31.0
147.11714	17.7
149.09547	2.9
149.13246	13.5
151.11067	3.5
155.08476	3.5
156.09358	3.8
157.10114	18.4
159.11690	42.0
161.13287	17.3
163.11169	3.4
163.14749	5.5
165.12674	3.1
169.10120	6.2
171.11682	16.3
172.12451	2.5
173.13263	24.5
175.14787	7.5
177.12660	2.8
183.11636	6.7
185.13246	13.8
187.14751	10.9
189.12741	4.8
189.16386	6.0
191.14264	2.4
197.13188	7.0
199.14896	18.0
201.16380	17.8
203.14322	3.7
203.17937	4.5
211.14818	5.3
213.16408	16.5
214.17050	2.5
215.17938	16.3
217.15796	3.0
225.16321	8.7
227.17915	4.4
231.17462	2.8
239.17952	10.7
243.17252	2.5
253.19337	4.1
255.20988	7.3
267.20941	3.5
269.22556	7.3
280.08688	2.2
295.24222	48.6
313.22043	4.2
313.25131	100.0
313.32800	9.3
314.34143	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	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05513	17.8
57.03200	1.7
57.03443	20.2
57.07080	62.8
67.05508	27.7
69.06727	2.2
69.07069	24.4
69.11077	1.1
69.29436	9.0
71.05008	1.5
71.08635	39.1
79.05497	10.1
81.06596	2.7
81.07061	49.3
83.04994	2.3
83.08626	21.0
85.06527	2.3
85.10184	18.9
85.75539	1.2
89.06015	2.2
91.05468	9.6
93.06491	1.5
93.07051	21.7
93.98408	1.1
95.04953	1.4
95.08611	54.6
97.06524	5.2
97.10194	10.2
98.21479	1.7
99.08099	3.3
99.11730	1.5
103.07549	2.2
105.07046	25.2
107.08596	28.2
109.06540	2.4
109.10162	35.6
111.08069	2.1
111.11745	1.6
117.07015	4.2
119.08589	30.9
121.10156	22.4
123.08078	4.2
123.11713	31.8
125.09639	3.7
129.06961	2.9
131.08578	11.8
133.10130	26.3
135.08092	2.0
135.11687	12.6
137.09589	2.8
137.13229	3.1
139.11148	4.3
141.06963	1.3
143.08572	9.8
144.09363	1.5
145.10123	20.0
147.11684	19.4
149.09621	3.3
149.13286	11.5
151.11191	4.6
151.14836	2.2
155.08548	4.2
157.10152	12.5
159.11694	21.6
161.09669	1.3
161.13263	39.7
163.14859	5.9
165.12750	7.6
169.10168	6.2
170.10837	1.8
171.11649	11.1
173.13293	12.8
175.11284	1.6
175.14833	16.7
177.12726	3.3
177.16302	2.1
179.14243	2.3
182.71953	1.4
183.11719	6.7
185.13246	10.7
187.11214	1.7
187.14839	17.0
189.12737	4.1
189.16393	24.3
191.14203	3.2
197.13246	6.1
198.14011	1.6
199.14845	8.9
201.16420	13.4
203.14383	7.3
203.17931	2.0
205.15854	1.8
211.14807	6.5
213.16405	7.0
215.17952	7.3
217.15953	3.3
223.14961	1.7
225.16394	13.4
227.17957	45.2
229.15825	2.5
229.19417	2.1
231.17407	3.4
237.16330	1.8
239.17978	7.7
239.23602	3.6
241.19594	2.6
243.17422	3.5
253.19472	4.7
255.21063	5.2
257.19156	5.8
257.24741	7.6
265.19510	3.3
267.20831	1.5
270.19736	1.2
271.20508	2.9
275.26031	1.5
280.21979	1.4
295.20819	1.5
295.24200	39.8
313.25156	100.0
313.27737	55.6
314.25336	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36091	0.7
55.05274	0.8
55.05518	9.4
57.03163	0.8
57.03440	21.0
57.07078	68.1
63.21605	0.6
67.05185	1.0
67.05511	12.8
69.07071	12.1
69.51099	5.6
71.08635	42.2
73.06533	0.8
73.37534	0.8
75.04469	0.7
79.05517	1.3
81.07061	16.1
83.08614	14.0
85.10188	23.0
89.06032	3.5
93.07053	1.1
95.08611	24.8
97.10165	6.9
98.20834	1.7
99.11725	1.1
103.07584	2.8
109.10160	9.5
111.11733	1.1
117.09127	1.4
123.11740	5.3
137.13272	1.6
151.14825	0.8
157.76350	0.7
239.23735	4.7
249.10448	0.8
257.24716	7.6
313.27380	100.0
314.27585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37865	0.7
55.05515	7.9
55.52773	0.8
55.75652	0.7
57.03165	1.1
57.03439	22.4
57.07077	66.0
59.04980	0.8
63.76120	0.7
67.05506	12.4
69.06733	0.9
69.07069	10.7
69.24568	6.1
71.08633	42.1
79.05460	1.2
81.07058	16.6
83.08617	13.9
85.06532	1.0
85.10184	21.0
89.06046	3.2
93.07046	1.3
95.08609	24.6
97.10181	6.8
98.21466	1.5
99.11716	1.5
103.07580	2.3
109.10168	11.8
111.11705	1.1
117.09144	1.0
121.10177	1.0
123.11742	4.7
125.13266	1.0
133.55119	0.7
137.13283	1.7
150.27658	0.7
151.14780	1.3
194.63687	0.7
239.23706	4.8
257.24750	7.9
302.12689	0.8
313.27371	100.0
314.27859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85116	0.7
55.05515	11.3
55.99618	0.8
56.27651	0.8
57.03167	1.1
57.03444	25.0
57.07082	68.7
58.96844	0.8
67.05511	13.0
69.07065	11.3
70.61229	1.9
71.04987	0.9
71.08639	44.1
73.03796	0.8
79.05482	1.4
81.07064	15.3
83.08623	13.5
85.10188	24.2
89.06049	3.9
95.08614	25.9
97.10174	4.7
99.08051	0.8
99.11740	1.4
103.07593	1.9
109.10155	10.4
111.11749	1.2
123.11723	4.0
137.13292	2.6
148.64659	0.8
239.23694	5.6
257.24820	7.9
313.27393	100.0
314.27689	0.9
319.49042	1.0
319.53122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	23.1
56.00227	2.9
57.03439	24.7
57.07082	81.2
67.05515	31.6
69.07071	42.0
71.08642	48.7
71.49031	2.8
77.56419	3.4
79.05507	10.3
81.07060	57.3
83.08618	27.2
85.10196	31.1
91.05488	13.8
93.07050	27.4
95.08614	89.6
97.06527	5.5
97.10202	18.2
105.07044	21.2
107.08601	27.3
109.10174	47.8
111.80894	3.3
119.08593	25.6
121.10136	35.4
123.11706	27.5
131.08580	12.3
133.10181	18.3
135.11696	20.4
137.13257	9.3
145.10106	16.5
146.74846	2.9
147.11716	18.5
149.13275	11.1
151.14793	4.7
157.10144	6.1
159.11734	17.0
161.13307	19.4
163.14824	16.4
168.01308	3.2
169.73991	2.9
173.13318	20.4
175.14857	18.8
177.16429	7.8
185.13193	3.2
187.14897	8.6
189.16417	12.2
199.14763	3.8
201.16362	8.7
203.18039	15.8
215.17949	11.6
217.19595	7.8
229.19539	13.0
231.21103	35.3
239.23882	3.7
243.21178	10.7
245.83836	3.6
257.22638	11.1
257.24890	8.2
280.41724	4.0
313.21982	5.8
313.27930	100.0
313.36481	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	314.1385
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.80231	0.4
53.03944	2.2
55.01886	0.6
56.66000	0.4
59.38531	0.4
63.89977	0.4
77.03937	0.8
89.03908	4.9
91.05489	7.3
93.06487	0.8
93.07052	11.8
95.04973	1.7
103.05471	10.4
105.04520	0.7
106.04193	0.4
117.03390	21.3
119.04930	0.5
121.06511	55.6
134.03658	1.4
135.04405	0.7
135.68808	0.4
135.87378	0.4
136.05171	0.6
145.02853	50.6
149.05998	5.2
150.58873	0.4
177.05475	100.0
178.05916	0.7
186.05493	0.8
194.08089	1.3
198.11285	0.5
314.13892	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	314.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66218	17.8
53.48731	20.1
54.98757	17.3
67.05495	20.1
69.63798	99.2
79.05473	28.8
103.15993	19.5
105.06999	17.9
107.04950	100.0
120.40504	18.5
134.02788	20.6
163.40404	21.5
177.05492	29.2
227.70226	23.6
298.10892	31.3
314.07852	24.2
314.13791	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01860	2.5
55.05495	9.0
56.96544	2.6
59.38589	2.4
60.04515	2.6
61.02907	5.4
69.03413	10.2
70.06592	36.7
71.48371	3.6
72.07765	5.1
72.08157	89.5
73.06187	4.5
73.06557	59.9
79.05510	12.4
81.03395	5.3
81.05798	2.8
81.07047	15.8
84.04497	12.3
84.08147	7.3
85.02895	20.9
86.09711	51.3
88.03929	3.0
89.06033	21.6
91.05474	4.3
94.06551	2.5
95.04978	2.9
96.08131	14.9
97.02885	12.3
98.97594	3.9
100.25046	2.4
102.05476	2.9
106.06536	6.8
107.04950	23.5
108.05260	2.8
108.08125	17.1
109.02860	2.3
109.06506	5.4
110.06084	5.6
110.07143	5.1
116.07096	51.3
117.09155	5.3
124.07581	20.7
127.03897	3.5
132.10196	14.5
134.05998	4.6
135.04439	3.6
135.10172	91.7
136.06128	5.3
136.07578	12.5
150.09071	2.9
152.01686	17.8
152.07063	100.0
152.10709	2.7
155.08167	9.8
160.07649	3.3
163.03963	3.2
171.14934	21.4
178.08617	6.8
179.08905	3.7
183.07678	5.6
187.10760	5.7
199.14410	12.1
206.08173	3.2
215.13838	3.7
296.11185	3.9
298.10666	3.0
314.12289	16.9
314.15799	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	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
56.05029	0.6
56.96555	0.4
69.03411	0.5
70.06588	1.3
70.49047	0.3
70.87891	0.6
71.71976	0.4
72.08159	0.5
76.95837	0.3
81.03397	0.5
84.04477	0.6
84.08144	0.8
84.23218	0.4
85.02872	0.6
86.09689	1.4
93.07011	0.4
96.99020	0.4
97.02883	0.7
98.97607	0.8
107.04967	6.3
110.07164	0.4
116.07058	0.6
129.10269	0.6
136.07587	1.0
138.09163	0.4
153.05249	2.6
185.04230	2.6
203.05280	1.4
234.99004	1.0
290.97766	0.6
315.10504	100.0
316.10849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.50840	0.4
65.03930	1.9
67.05503	0.7
69.07040	0.6
70.07738	1.5
79.05488	2.1
80.05020	0.4
81.03399	0.4
81.07047	0.4
82.06589	0.5
84.76986	0.4
86.04503	0.4
86.09708	1.2
89.03922	0.8
91.05493	1.9
92.04994	1.2
93.05775	0.8
93.07046	3.7
94.06583	2.8
95.04942	0.5
95.07344	2.8
96.08124	4.1
98.21369	0.4
103.05486	0.7
106.06547	1.8
107.04957	1.8
108.08125	10.3
110.09677	9.2
116.04980	0.8
118.06542	0.5
120.03640	0.8
120.04470	13.4
120.08104	7.7
121.10079	0.4
123.06845	0.7
124.07628	0.5
125.02337	0.9
126.09149	1.2
133.81288	0.4
134.06000	4.1
136.06520	0.8
136.07578	20.0
137.05986	1.2
138.05464	2.2
138.09154	9.4
144.04440	1.3
148.07570	5.6
154.08633	21.3
161.05952	0.5
162.05510	100.0
163.05899	0.4
165.07010	0.5
166.08652	21.6
167.07285	0.4
169.07632	0.5
182.09702	0.4
184.09982	1.0
187.47685	0.4
195.02902	0.5
198.11560	0.8
199.12294	0.6
212.09491	0.9
227.11801	3.2
245.13026	0.5
251.11783	0.5
255.11320	2.6
265.08588	1.2
269.12854	3.6
273.12329	2.6
283.09595	0.8
287.13959	0.8
295.73718	0.4
297.12332	8.0
315.09940	0.7
315.13446	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	315.1591
Annotation	Anisocoumarin F
Peak:m/z	Relative Intensity
53.03936	0.5
55.05516	7.3
57.07079	8.4
59.05005	16.9
59.12404	0.5
67.05484	1.2
69.07060	2.0
70.72858	1.2
79.05479	1.2
81.07042	1.6
83.01331	1.3
83.04977	0.8
85.06551	9.1
91.04987	0.7
91.05492	9.8
93.07053	1.1
94.77811	0.5
95.04967	1.0
95.08609	0.6
97.06540	0.8
103.05465	1.9
105.07010	2.3
107.08620	0.8
109.10172	0.6
115.05458	0.7
117.07041	0.6
119.04943	4.7
119.08585	1.5
121.06483	1.4
128.06161	0.8
131.04922	3.6
131.08545	0.8
133.06487	1.8
145.06467	0.7
145.10156	1.2
147.03241	1.1
147.04411	18.7
147.11679	0.5
148.05197	0.7
159.04396	3.9
161.06004	2.7
163.03860	0.9
173.05966	2.1
173.13318	0.6
175.03915	100.0
175.11168	0.9
176.04349	0.9
177.05481	20.7
187.03928	12.3
187.07584	1.6
189.05486	17.1
199.03938	1.2
199.07568	0.6
201.05467	5.2
201.09108	1.9
203.03421	4.2
203.07024	2.3
203.10712	3.0
213.05463	0.7
215.07111	1.9
215.10564	0.6
217.05008	1.1
217.08629	1.0
229.08603	3.7
231.10172	25.3
235.40361	0.5
241.08607	1.7
243.10207	0.8
247.09589	0.9
259.09665	6.6
315.12198	1.1
315.15942	19.7
315.19293	1.3
315.23203	1.0
316.32144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43799	0.6
53.44279	0.7
55.01858	0.9
56.96560	1.4
60.04529	1.2
69.03413	0.8
70.06578	1.9
70.77837	1.8
72.08137	1.3
84.08122	1.4
85.02918	0.8
86.09702	3.7
107.04940	0.6
122.23862	0.6
123.04433	100.0
138.09172	2.0
141.01868	0.7
154.08589	4.0
158.99716	0.6
163.39972	0.7
173.12729	0.7
177.03979	1.9
201.05470	0.7
201.12332	0.6
231.90211	0.6
316.10568	4.5
317.06479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73694	0.6
55.05501	2.2
55.85616	0.6
55.93521	1.1
56.16951	0.6
70.06576	2.8
70.30556	2.3
70.93533	0.5
72.08154	1.5
79.05479	0.7
81.03387	0.7
81.07044	2.3
84.08138	1.6
85.02892	0.9
86.09711	3.1
89.47384	0.6
97.05293	0.7
98.06033	0.7
98.20840	0.7
109.06522	1.9
110.06014	1.0
111.06851	1.6
120.08114	1.6
124.07616	0.9
125.09612	0.7
126.09092	0.8
129.10219	1.1
139.06303	1.6
142.38655	0.6
153.01897	0.7
154.08635	100.0
155.08945	1.1
163.58566	0.6
163.62711	0.6
183.18015	0.6
225.09030	0.6
229.04919	0.8
245.76582	0.7
253.08575	1.3
270.11185	0.7
302.04056	1.0
316.11819	1.4
317.06708	3.2
317.09860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01866	0.9
57.03439	1.7
60.04514	3.2
61.02924	1.6
64.67432	0.5
67.05497	0.8
69.03434	5.2
69.07074	4.5
70.06596	13.3
71.05025	0.6
71.21888	0.8
72.08157	8.9
73.02925	1.0
79.05497	1.2
81.03420	1.7
81.07050	2.8
82.06577	1.9
84.08155	1.2
84.12942	0.6
85.02909	8.6
86.09708	100.0
87.04458	1.1
87.05581	2.7
91.05489	3.9
93.05794	1.4
93.07055	1.1
95.04995	0.8
96.08124	2.7
97.02906	3.3
99.04489	0.6
107.04963	1.1
108.08124	20.0
109.02892	0.8
109.06514	1.2
110.06066	1.6
110.07189	0.6
110.09704	0.7
116.07093	31.9
118.06509	1.0
122.05997	1.2
123.06821	1.9
124.07593	17.4
127.03914	2.0
128.10727	2.1
129.10257	1.3
130.06540	0.6
136.07584	12.8
137.05991	1.0
137.08339	1.6
138.09187	1.2
145.04962	1.2
150.09184	0.7
154.08635	97.0
166.08636	1.5
170.06352	4.4
171.14938	3.0
173.12869	14.9
185.22585	0.6
196.09729	1.0
199.14371	1.5
199.18071	26.0
201.12308	3.2
202.21843	0.5
203.13922	7.7
217.15428	0.8
227.17508	9.4
302.04239	0.7
316.13846	1.8
317.06558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37870	0.4
54.47421	0.5
55.05515	0.6
56.05025	0.5
57.03424	0.8
57.07071	0.8
60.04531	8.0
68.18362	0.5
69.03432	2.9
69.07069	5.5
70.06598	30.4
70.20187	1.2
72.08156	11.4
81.03417	1.5
81.07076	1.1
83.90826	0.4
84.04520	1.4
84.08136	2.4
85.02905	3.1
85.06556	1.6
86.09711	100.0
87.04457	0.8
87.05581	4.8
87.10054	0.6
91.05475	1.1
93.03403	0.5
95.04954	0.5
97.02901	1.5
99.04440	0.9
107.04979	0.8
108.08120	4.9
109.02883	0.5
113.69093	0.5
116.07101	56.5
120.08125	0.6
124.07610	3.9
127.03929	2.1
128.10728	3.3
129.10266	1.1
136.03923	0.5
136.07600	4.4
137.05949	0.9
137.08411	1.0
153.01884	0.6
154.08643	23.5
155.09068	0.5
166.08783	0.5
170.06380	1.5
171.14920	2.8
173.12874	26.5
185.36465	0.5
187.06119	1.3
188.12738	0.5
199.14455	1.9
199.16180	0.8
199.18065	17.4
201.12379	5.3
203.13951	6.3
216.12361	1.9
227.17554	7.4
302.04285	0.9
306.01685	0.5
307.90881	0.5
316.14618	0.6
316.21353	1.7
317.06583	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	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
58.38821	0.5
65.46706	0.5
69.07068	6.2
69.71968	2.3
70.06612	0.6
81.75687	0.5
82.48357	0.5
84.08150	0.9
84.44138	0.5
86.09708	100.0
88.20812	0.5
93.03421	0.7
98.21561	0.7
107.04996	0.5
107.89628	0.5
132.10217	5.2
140.59320	0.6
153.01814	2.8
157.13370	56.3
158.13686	0.9
185.12860	21.5
203.13972	4.2
228.04298	0.7
229.04942	1.4
245.04544	1.3
245.18666	0.7
246.05278	0.6
257.04483	0.8
274.04849	1.4
285.04019	1.0
302.04208	4.4
317.06558	16.6
317.10156	0.9
317.17508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.64969	0.3
55.05501	0.9
56.05008	0.5
57.03447	0.4
57.05834	0.4
57.07069	0.6
60.04533	4.6
61.02919	1.0
69.03442	3.1
69.07068	5.0
70.06596	15.9
70.65935	1.1
72.04513	0.3
72.08159	11.0
79.05492	0.4
81.03402	0.7
81.07059	1.1
82.06577	0.6
84.04523	1.0
84.08144	1.5
85.02915	4.0
85.06532	0.9
86.09709	100.0
87.05588	2.8
87.10062	0.6
90.05537	0.4
91.05482	1.5
93.05794	0.8
93.07067	0.4
94.06553	0.3
96.08129	0.9
97.02889	1.4
99.04450	0.8
107.04990	0.4
108.08119	6.4
109.02893	0.4
109.06535	0.6
109.10153	0.6
110.06066	0.5
110.07172	0.5
115.03883	0.4
116.07098	32.3
118.06570	0.4
120.08138	0.4
122.06024	0.4
124.07594	6.4
127.03909	1.2
128.10727	1.8
129.10257	0.5
136.07581	5.2
137.06012	1.0
137.08403	0.5
145.04980	0.9
153.01845	0.6
154.08638	33.9
166.08723	0.3
170.06352	1.5
171.14934	4.3
173.12869	16.0
187.06053	0.5
188.12804	0.8
199.14485	1.8
199.18071	22.0
201.12341	3.3
203.13908	7.1
203.15662	0.6
215.67940	0.3
216.12500	0.6
217.15453	0.5
226.15736	0.3
227.17542	8.9
227.19817	0.6
228.04144	0.4
229.04980	0.5
248.86314	0.4
274.04733	0.4
299.11163	0.5
302.04294	1.1
316.11414	0.5
316.14639	0.7
316.21536	0.7
317.06573	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	317.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01872	5.9
55.05518	11.0
56.96566	20.3
57.03436	10.6
61.02926	9.0
69.03429	30.2
70.06592	6.0
70.56570	4.5
71.04988	3.0
72.08152	17.0
72.12686	1.8
73.02925	8.9
73.06564	8.9
74.21640	1.4
80.26469	1.5
81.03430	7.9
83.06109	2.9
84.04513	9.6
84.08144	38.4
84.96033	4.0
85.02911	45.9
86.09709	33.4
87.04467	4.4
87.05611	2.1
97.02898	28.2
98.03197	1.5
98.97584	79.0
99.04438	5.5
101.00889	3.5
101.02368	1.6
101.07178	1.6
107.04961	15.2
109.02882	3.1
110.01218	2.8
110.97571	13.4
112.99163	2.0
113.00893	2.5
115.03889	2.1
116.98618	11.3
117.02114	1.8
117.03914	1.9
118.08639	1.8
119.01875	10.6
124.99132	2.9
127.03941	16.4
128.02275	2.6
128.98618	7.3
129.02180	2.6
129.10245	26.2
130.05008	5.1
130.08611	2.5
131.00215	2.6
131.01874	2.5
133.06090	9.0
136.07518	2.1
136.93127	2.0
137.06007	2.4
140.02327	1.8
140.98643	2.5
143.00142	4.0
143.01935	3.5
143.11774	5.1
145.04948	7.2
146.04109	11.0
147.03308	6.0
147.07640	4.5
147.11218	1.9
152.02261	1.7
153.01814	1.8
154.94283	2.2
155.04660	82.2
155.54819	4.5
157.13393	11.3
158.99663	41.5
159.03046	1.8
161.01289	1.6
161.02911	5.1
161.99937	1.6
164.05196	15.1
164.55302	1.9
165.04312	4.0
166.55466	2.2
170.99730	4.1
171.03308	4.0
171.11353	2.0
173.01093	1.6
173.02942	4.0
177.00742	13.0
182.03401	2.2
185.02876	1.8
185.12854	2.3
186.12292	2.4
188.05208	3.6
189.00772	2.2
189.04362	4.4
191.03947	3.7
191.05696	5.4
200.04378	2.9
201.00716	4.7
204.13312	1.8
205.05705	1.6
209.05762	2.2
214.95532	1.9
215.07578	2.4
218.06291	8.7
219.01767	17.7
227.06775	100.0
227.56895	10.6
232.96429	2.0
236.07300	51.3
236.57498	4.3
237.02788	10.8
243.05170	7.5
243.55344	1.9
245.04939	2.5
281.98087	1.8
287.05478	5.4
291.07510	16.9
293.10757	2.8
302.04282	2.9
309.08569	38.0
317.06458	33.8
317.12030	3.6
317.14337	2.8
317.21893	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.19772	0.3
58.70429	0.3
65.03934	1.0
65.25792	0.2
68.87318	0.3
69.29212	2.2
69.29612	0.5
72.20234	0.3
92.02631	3.1
93.03410	3.0
98.20713	0.5
99.77225	0.3
105.72133	0.3
121.02859	2.1
122.03671	0.4
123.41198	0.3
126.03117	0.9
137.02287	0.4
139.03954	1.4
144.57364	0.3
145.06435	0.3
149.02376	0.4
151.03928	1.2
153.01837	16.1
165.01860	1.2
177.05504	0.7
178.47644	0.3
183.02997	0.3
200.04675	0.6
201.05475	1.0
203.03354	1.5
217.05008	2.9
218.05836	1.4
219.02954	0.8
227.03291	0.3
228.04190	3.4
229.04962	6.6
231.02902	1.0
245.04460	3.9
246.05284	3.2
257.04425	4.8
260.03180	0.4
261.07632	0.5
271.06137	0.4
273.03961	3.4
274.04749	7.5
284.03140	1.1
285.03949	8.1
287.01999	0.4
301.03256	0.4
302.04230	23.1
317.06577	100.0
318.06821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22635	0.2
65.03939	1.0
68.99776	0.7
69.03411	0.2
71.48466	0.2
77.58370	0.2
81.07034	0.2
91.05470	0.3
92.02076	0.3
92.02622	3.6
93.02911	0.2
93.03406	2.8
93.29198	0.2
95.04968	0.2
97.06511	0.3
101.03922	0.2
104.19289	0.2
104.48310	0.1
107.04917	0.3
109.02866	0.4
111.00751	0.2
111.72768	0.2
117.07030	0.2
120.02063	0.4
121.02859	2.1
122.03631	0.5
123.04369	0.2
126.03151	1.1
137.02325	0.7
137.05991	0.3
139.03900	1.4
145.06558	0.3
150.03094	0.2
151.03894	1.1
152.01038	0.5
153.01831	18.2
155.04916	0.4
163.03902	0.4
165.01817	1.3
166.02634	0.3
173.05971	0.4
176.04704	0.2
177.05432	0.5
179.03406	0.3
183.02890	0.3
183.04453	0.3
187.03864	0.3
189.05666	0.2
190.06319	0.2
191.03372	0.3
192.04153	0.3
200.04691	0.8
201.05507	1.8
203.03380	1.5
204.04147	0.3
211.03978	0.2
213.05560	0.2
214.11763	0.2
217.04987	2.9
218.05811	1.5
219.02895	0.7
228.04170	3.9
229.04951	7.7
231.02921	1.1
231.99875	0.2
233.04427	0.2
243.06456	0.4
245.04446	4.2
245.06795	0.3
246.05257	3.6
246.07799	0.2
256.03647	0.5
257.04431	4.6
259.05640	0.2
260.03116	0.6
261.05023	0.1
261.07629	0.8
271.06027	0.2
273.03925	3.3
274.04739	6.8
284.03156	0.9
285.03931	7.8
286.04834	0.3
287.01804	0.4
288.06314	0.3
299.05270	0.2
301.03275	0.4
302.04211	23.1
303.04459	0.3
317.06555	100.0
318.06918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03944	0.8
65.71379	0.3
68.99784	0.3
79.05478	0.3
81.03407	0.3
81.07030	0.4
83.66971	0.2
85.02870	0.2
86.69125	0.3
91.05463	0.4
92.02626	2.7
93.03413	2.7
93.06986	0.3
95.08609	0.5
98.20591	0.5
103.05500	0.6
105.03394	0.3
105.07037	0.3
107.04957	0.7
109.02891	0.6
115.07986	0.3
120.02060	0.4
121.02870	2.7
122.03591	0.4
126.03141	1.1
131.04921	0.6
133.10069	0.4
134.70306	0.3
137.02328	0.5
139.03876	1.2
140.24005	0.3
143.66393	0.3
145.06482	0.4
151.03909	1.3
153.01837	17.6
155.04910	0.4
159.11618	0.3
163.03918	0.3
165.01857	1.4
172.32925	0.3
173.05988	0.5
179.03519	0.3
183.04442	0.4
187.03940	0.4
200.04736	0.6
201.05498	2.1
203.03331	1.4
204.04126	0.4
208.08926	0.3
217.04948	2.9
218.05750	1.1
219.02901	0.8
228.04199	3.7
229.04958	6.8
229.07056	0.5
229.59555	0.4
231.02859	1.3
245.04491	3.3
246.05234	3.5
256.03717	0.4
257.04462	4.4
258.04898	0.3
260.03159	0.4
261.07541	0.4
271.06265	0.3
273.03937	3.2
274.04742	7.3
284.03253	0.6
285.03934	8.3
286.04712	0.3
301.03546	0.5
302.04227	20.5
317.06570	100.0
318.06873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03933	1.1
67.01848	0.3
68.99793	0.5
69.03413	0.3
69.48135	0.6
69.48559	0.9
70.06604	0.3
70.52533	0.2
84.08079	0.3
92.02622	3.0
92.05000	0.4
93.03411	3.0
94.04157	0.3
94.53585	0.2
98.20732	0.4
107.04964	0.3
108.08090	0.3
109.02870	0.4
109.40672	0.2
111.00819	0.5
120.04475	0.8
120.08120	0.2
121.02855	2.2
122.03651	0.5
124.07601	0.2
126.03111	1.1
127.03941	0.6
135.04401	0.5
136.07596	0.6
137.02341	1.5
139.03918	1.7
151.03914	2.9
151.05022	0.3
153.01833	17.9
155.04956	0.4
163.03917	0.8
165.01883	1.2
173.05972	0.3
176.04756	0.3
177.05434	0.5
187.03877	0.3
190.02589	0.2
190.06273	0.3
192.04120	0.3
200.04716	0.8
201.05496	1.7
203.03386	1.5
204.04396	0.3
211.03813	0.3
217.04962	3.1
218.05791	1.4
219.02881	0.4
228.04184	4.0
229.04965	7.1
231.02867	1.2
243.06470	0.3
245.04451	3.7
246.05264	3.1
256.03781	0.4
257.04468	4.3
260.03177	0.8
261.03845	0.3
261.07642	0.5
271.06046	0.6
273.03976	3.4
274.04730	7.4
284.03262	0.7
285.03949	7.2
288.06290	0.4
289.15454	0.2
299.10431	0.4
299.13809	0.3
301.03659	0.3
302.04227	22.0
303.04614	0.4
317.06570	100.0
318.06955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
53.03927	0.5
55.01872	0.4
55.05483	0.3
57.03419	0.4
58.36134	0.4
65.03925	1.0
67.05499	0.6
68.63009	0.3
68.99803	0.7
69.03422	1.2
69.07058	1.0
69.21759	3.1
70.06578	0.6
72.19243	0.3
77.22753	0.3
79.05481	0.9
81.03413	0.9
84.08179	0.5
85.02894	1.1
86.09703	8.5
87.10017	2.5
91.05479	0.5
92.02621	3.1
93.03404	2.8
93.07038	0.4
95.04972	0.6
95.08618	0.6
97.02894	1.1
97.06535	3.2
99.04461	0.4
99.08069	0.4
105.07032	1.0
107.08580	1.8
109.02880	0.6
109.06505	0.6
109.10141	0.7
111.00763	0.5
117.75152	0.3
119.08587	1.6
120.08067	0.4
121.02863	2.5
121.10135	0.8
126.03127	0.9
127.03873	0.6
130.06540	0.8
131.08562	1.2
132.10225	0.4
133.10127	1.0
135.08012	0.4
135.11743	0.4
137.02278	0.3
139.03908	1.5
143.08536	0.8
145.10129	0.9
147.11687	1.1
151.03917	1.1
153.01825	18.1
155.04785	0.4
157.07582	1.1
157.10141	0.7
157.13373	3.6
158.10913	0.7
158.13702	2.5
158.15315	0.4
159.11690	0.4
161.05995	0.3
161.13289	0.4
163.03871	0.3
165.01855	1.0
166.02615	0.4
171.11624	0.6
173.06038	0.4
173.13254	2.9
175.11092	0.6
175.14848	1.3
179.03429	0.4
183.11702	0.4
185.12964	1.5
186.13220	0.8
187.03946	0.3
189.12637	0.5
191.14305	0.6
195.24683	0.3
200.04654	0.8
201.05469	1.7
203.03380	1.8
203.08176	3.4
204.14220	0.4
215.10744	0.3
217.04953	3.6
218.05762	1.4
227.14452	0.5
228.04155	4.1
229.04958	7.6
231.02917	1.4
239.14211	0.3
243.06659	0.4
245.04424	3.1
246.05287	2.6
256.03741	0.7
257.04440	4.2
260.03256	0.6
261.07571	0.7
271.05975	0.5
271.16885	0.5
273.03909	3.5
274.04752	7.8
284.03119	0.5
285.03903	8.4
287.16336	1.2
289.17911	0.6
299.13861	1.0
299.16693	0.7
302.04208	21.6
317.06558	100.0
317.17578	4.0
318.06799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Byakangelicol
Peak:m/z	Relative Intensity
50.90735	0.7
52.22884	0.8
55.01869	0.9
55.05514	1.3
57.07076	5.4
59.31472	0.7
65.03944	5.5
67.05501	23.2
70.06592	5.7
70.46947	0.8
70.47324	2.6
71.08632	1.3
79.05460	1.1
81.03432	1.2
81.07050	2.4
85.06546	14.3
88.03987	7.3
88.07620	7.5
91.05492	4.8
93.07066	1.3
95.08632	1.4
98.20860	1.3
102.09196	5.1
103.05453	2.7
105.07052	1.5
107.04961	3.8
107.08602	0.9
109.02840	0.9
109.10170	1.3
119.04949	2.5
119.08577	1.5
121.02770	0.9
123.08073	0.9
127.03916	1.0
127.56351	0.9
131.04915	5.4
133.10094	1.0
134.03636	1.4
145.02866	3.2
147.04440	1.6
151.11256	1.0
153.01776	4.2
159.04460	1.5
160.01570	2.8
161.02359	1.5
161.05978	7.3
162.03128	2.9
165.09021	1.0
173.02303	1.0
173.05850	1.0
175.03912	27.4
187.07394	1.3
188.01050	7.5
189.01881	1.3
189.09145	1.0
190.02608	1.5
199.07324	0.9
201.09073	1.2
202.02615	1.6
203.03386	15.3
211.07549	1.9
215.03377	6.1
217.01340	5.6
218.02103	47.5
225.09097	1.3
226.09930	1.8
229.04945	1.4
230.02094	6.4
230.24872	4.2
231.02879	63.4
232.03598	2.3
233.04448	100.0
240.07834	1.0
241.08620	1.6
245.04468	3.7
246.05298	1.0
249.04053	1.0
253.08632	1.0
255.10164	1.3
256.26340	25.0
257.04510	2.8
257.11890	1.7
271.09558	1.6
273.07623	3.5
274.04657	1.4
285.03973	1.8
285.11227	3.1
299.09213	1.1
302.04236	3.9
317.06546	23.2
317.10208	7.7
317.13699	2.8
317.17603	2.0
317.21295	2.1
317.24341	1.1
317.27997	22.4
318.29980	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	317.1233
Annotation	Glochidionolactone E
Peak:m/z	Relative Intensity
53.03942	2.9
55.01877	2.8
55.05496	2.6
57.03426	4.8
57.07079	57.4
65.37595	1.5
67.05490	2.0
68.99831	1.6
69.03431	88.4
69.07067	4.3
70.06599	4.2
70.63433	3.8
71.01354	2.7
71.04986	5.3
71.28345	1.5
79.05495	3.0
81.02938	2.0
81.03415	25.2
81.07044	9.6
83.01340	7.6
84.08142	2.6
85.02908	60.7
85.06545	100.0
93.03441	1.8
93.07022	3.1
95.04961	2.2
95.08572	1.8
97.02894	13.0
99.04453	13.2
105.07037	2.3
107.04935	3.1
107.08620	1.9
107.69386	1.5
109.02895	8.8
109.06525	8.5
109.10155	3.3
113.02362	4.3
113.06010	1.6
120.08128	1.5
127.03918	89.4
127.07573	7.5
134.03542	1.6
137.05957	7.8
141.01212	1.7
145.04970	17.0
145.08627	18.5
147.11655	1.8
153.01848	6.4
155.06094	1.5
155.07065	14.3
159.09105	1.7
177.42122	1.6
183.58284	1.6
184.52283	1.7
187.06021	68.5
187.07710	3.4
203.03459	2.1
229.04924	3.0
239.18260	1.9
254.17491	3.2
255.17818	14.5
271.11792	22.8
299.11258	35.6
299.20401	5.3
302.04214	7.7
317.06604	33.0
317.12213	12.3
317.21222	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	317.1387
Annotation	7-Hydroxy-2,3,4,6-tetramethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
60.04522	1.6
63.96201	1.4
64.79010	1.3
67.05498	3.7
69.03411	1.5
69.07059	1.6
70.06579	2.1
71.48024	2.1
79.05481	2.2
81.07055	4.3
84.08133	1.8
87.04446	1.9
87.61726	1.3
91.05482	4.3
93.07056	3.1
93.97408	1.5
95.08602	3.6
96.91951	1.3
97.06516	1.9
105.07058	4.0
117.06957	1.7
119.08612	2.0
123.08073	1.7
131.04904	1.7
131.08536	1.9
133.10129	3.1
133.11275	1.3
141.00417	1.5
141.06912	1.5
147.11772	2.0
153.01811	8.6
157.10062	2.2
161.05940	2.5
165.07030	5.2
166.07770	1.8
167.08557	3.5
171.08047	1.6
181.06500	3.4
182.07268	5.7
183.08115	4.3
185.06006	1.9
185.09669	1.5
194.07324	2.3
195.08046	4.9
196.08873	3.6
197.09727	4.6
199.07562	11.4
200.04672	1.7
209.06024	2.7
210.06773	9.5
211.07556	22.8
212.08304	2.7
213.09085	2.1
214.06310	1.6
214.09914	5.5
217.05034	2.5
223.07607	2.0
224.08348	2.9
225.09097	23.5
226.06404	1.6
226.09917	30.4
227.07082	22.6
227.10706	4.8
229.05089	4.3
229.12325	1.9
238.06378	6.7
239.07065	7.4
239.14224	1.5
241.08685	7.7
242.09404	23.8
243.10233	6.2
245.04482	2.0
246.05232	1.8
253.08583	11.2
254.09410	19.5
255.06570	6.8
255.10139	3.6
256.10992	1.7
257.04419	9.8
257.11746	59.5
259.09619	7.7
268.10992	3.9
269.08011	2.6
270.08902	28.0
271.09686	6.9
274.04736	2.4
274.11685	3.2
285.04138	3.9
285.11234	69.2
286.12033	13.4
287.09274	5.8
302.04214	10.5
302.11377	15.9
317.06616	45.5
317.13879	100.0
317.21240	6.2
317.24707	3.3
317.28723	3.3
317.32187	1.8
318.07159	2.0
318.30078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1748
Annotation	1-Dehydro-15alpha-hydroxytestololactone
Peak:m/z	Relative Intensity
53.03944	5.1
55.01863	9.0
55.05499	7.3
57.03431	5.8
59.04998	2.2
59.75500	1.8
67.05516	9.7
69.03429	18.0
69.07064	9.6
69.49873	14.9
70.06570	3.8
71.04985	3.7
73.02909	2.2
79.05493	8.5
81.03433	13.0
81.07045	6.8
83.04984	11.4
83.08635	2.3
84.08135	7.9
85.02906	24.7
86.09695	10.5
87.10033	3.4
91.05489	12.8
93.07050	13.1
95.01294	2.1
95.04971	9.6
95.08595	6.6
97.02905	29.5
97.06564	2.6
99.04478	5.8
101.02399	2.4
101.25146	2.2
103.03936	2.2
103.05471	2.6
105.07027	19.2
106.07813	3.1
107.04919	2.9
107.08595	36.2
107.93115	2.2
109.02901	5.6
109.06510	6.4
109.10168	8.7
111.04433	3.9
111.08109	2.9
113.02401	2.0
117.07007	5.3
119.08587	31.4
121.06518	6.9
121.10141	19.9
123.04476	2.5
123.08073	6.1
124.07587	3.8
125.02353	6.7
127.03902	9.2
128.06241	3.5
129.07016	7.0
129.10226	3.0
131.08569	24.2
133.06517	5.6
133.10143	25.9
135.08066	11.3
135.11678	9.8
136.32860	2.0
137.05901	1.9
141.07004	3.3
142.07773	5.7
143.08582	17.0
144.09370	4.3
145.06540	3.3
145.10138	25.6
147.08054	6.8
147.11679	23.4
149.09621	5.1
149.13266	8.6
153.01848	2.9
154.07709	2.1
155.07254	1.9
155.08588	5.0
156.09402	6.9
157.10155	12.8
158.10893	13.1
158.15250	2.7
159.08090	7.4
159.11691	22.5
160.08852	2.5
161.06020	4.0
161.09628	5.9
161.13242	9.8
163.07503	3.3
163.11168	3.1
169.10156	8.0
170.10963	6.1
171.11700	16.3
172.12488	2.7
173.09633	6.6
173.13271	75.4
174.14104	2.1
175.11234	9.7
175.14832	19.9
177.09088	3.8
177.12753	2.7
179.08527	2.5
181.10178	4.4
183.08109	2.3
183.11731	6.2
184.12488	2.9
185.09686	4.5
185.13222	10.5
187.11142	11.1
187.14841	6.7
187.72232	2.0
189.12724	12.6
190.13467	4.5
191.14317	16.6
193.10205	2.2
195.11699	3.5
196.12486	3.9
197.09647	5.0
197.13272	6.7
198.10442	2.4
199.11218	3.0
199.14861	3.7
201.09085	3.4
201.12682	4.8
202.06265	2.0
203.10689	3.2
203.14345	3.1
207.13728	2.8
209.13284	4.2
210.14003	3.1
211.11087	3.8
211.14915	3.4
213.12778	6.2
215.10664	3.4
215.14301	6.6
219.13914	2.7
225.12810	2.7
225.16466	5.2
227.14351	5.9
229.12297	2.9
229.16057	2.6
231.13789	4.4
233.15335	2.6
239.14278	6.5
241.15933	3.9
243.17488	5.5
253.15962	5.1
257.15439	8.7
259.16898	2.5
261.04041	2.7
261.11285	2.7
263.81808	2.2
269.15320	2.5
271.17017	8.9
281.15359	7.3
287.16367	21.4
289.17990	9.0
299.16345	19.4
302.04230	5.8
317.03107	3.0
317.06656	15.6
317.11444	3.9
317.17520	100.0
337.89017	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	317.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01863	9.0
55.05499	7.3
57.03431	5.8
59.04998	2.2
59.75500	1.8
67.05516	9.7
69.03429	18.0
69.07064	9.6
69.49873	14.9
70.06570	3.8
71.04985	3.7
73.02909	2.2
79.05493	8.5
81.03433	13.0
81.07045	6.8
83.04984	11.4
83.08635	2.3
84.08135	7.9
85.02906	24.7
86.09695	10.5
87.10033	3.4
91.05489	12.8
93.07050	13.1
95.01294	2.1
95.04971	9.6
95.08595	6.6
97.02905	29.5
97.06564	2.6
99.04478	5.8
101.02399	2.4
101.25146	2.2
103.03936	2.2
103.05471	2.6
105.07027	19.2
106.07813	3.1
107.04919	2.9
107.08595	36.2
107.93115	2.2
109.02901	5.6
109.06510	6.4
109.10168	8.7
111.04433	3.9
111.08109	2.9
113.02401	2.0
117.07007	5.3
119.08587	31.4
121.06518	6.9
121.10141	19.9
123.04476	2.5
123.08073	6.1
124.07587	3.8
125.02353	6.7
127.03902	9.2
128.06241	3.5
129.07016	7.0
129.10226	3.0
131.08569	24.2
133.06517	5.6
133.10143	25.9
135.08066	11.3
135.11678	9.8
136.32860	2.0
137.05901	1.9
141.07004	3.3
142.07773	5.7
143.08582	17.0
144.09370	4.3
145.06540	3.3
145.10138	25.6
147.08054	6.8
147.11679	23.4
149.09621	5.1
149.13266	8.6
153.01848	2.9
154.07709	2.1
155.07254	1.9
155.08588	5.0
156.09402	6.9
157.10155	12.8
158.10893	13.1
158.15250	2.7
159.08090	7.4
159.11691	22.5
160.08852	2.5
161.06020	4.0
161.09628	5.9
161.13242	9.8
163.07503	3.3
163.11168	3.1
169.10156	8.0
170.10963	6.1
171.11700	16.3
172.12488	2.7
173.09633	6.6
173.13271	75.4
174.14104	2.1
175.11234	9.7
175.14832	19.9
177.09088	3.8
177.12753	2.7
179.08527	2.5
181.10178	4.4
183.08109	2.3
183.11731	6.2
184.12488	2.9
185.09686	4.5
185.13222	10.5
187.11142	11.1
187.14841	6.7
187.72232	2.0
189.12724	12.6
190.13467	4.5
191.14317	16.6
193.10205	2.2
195.11699	3.5
196.12486	3.9
197.09647	5.0
197.13272	6.7
198.10442	2.4
199.11218	3.0
199.14861	3.7
201.09085	3.4
201.12682	4.8
202.06265	2.0
203.10689	3.2
203.14345	3.1
207.13728	2.8
209.13284	4.2
210.14003	3.1
211.11087	3.8
211.14915	3.4
213.12778	6.2
215.10664	3.4
215.14301	6.6
219.13914	2.7
225.12810	2.7
225.16466	5.2
227.14351	5.9
229.12297	2.9
229.16057	2.6
231.13789	4.4
233.15335	2.6
239.14278	6.5
241.15933	3.9
243.17488	5.5
253.15962	5.1
257.15439	8.7
259.16898	2.5
261.04041	2.7
261.11285	2.7
263.81808	2.2
269.15320	2.5
271.17017	8.9
281.15359	7.3
287.16367	21.4
289.17990	9.0
299.16345	19.4
302.04230	5.8
317.03107	3.0
317.06656	15.6
317.11444	3.9
317.17520	100.0
337.89017	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	317.2474
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03931	0.7
55.01857	0.9
55.05511	11.2
56.44430	0.7
57.07063	2.8
60.04522	0.8
65.03934	0.8
67.05505	14.9
69.07068	10.2
69.89442	0.8
69.98035	2.3
79.05499	14.4
81.06600	1.2
81.07059	18.4
83.05005	1.0
83.08627	4.8
89.52659	0.7
91.04905	1.7
91.05485	31.7
93.07047	16.8
95.04971	1.8
95.08616	14.9
97.06530	1.4
97.10162	2.5
98.21436	1.0
103.05447	1.0
105.07034	48.1
105.97042	0.7
107.08593	8.9
109.06527	1.1
109.10148	6.1
115.05462	0.8
117.07016	8.7
119.08582	38.6
121.06502	1.0
121.10150	6.7
123.11724	2.1
129.07031	2.0
131.08566	12.8
133.09137	1.5
133.10138	29.4
135.08069	1.1
135.11702	3.2
143.08553	2.4
145.10135	9.1
147.10529	1.1
147.11693	19.9
149.13309	1.2
153.01849	1.6
155.08478	0.8
157.10097	0.9
159.11688	6.5
161.13266	15.3
163.11234	1.2
163.14847	1.1
171.11754	1.6
173.13260	5.2
175.14851	7.9
183.11676	1.3
185.13200	0.8
187.14874	2.5
189.12810	0.6
189.16437	2.7
199.14859	1.0
201.12724	0.9
201.16402	1.9
203.17892	0.7
229.05037	1.0
235.16747	0.8
247.16896	1.1
255.24324	1.4
256.22696	1.1
257.04492	0.8
257.19043	0.9
275.20004	0.9
275.23886	1.4
289.25067	0.8
299.23682	6.4
302.04123	1.7
317.06525	7.7
317.24762	100.0
318.25110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.7
57.03433	7.4
57.07077	100.0
60.57994	1.6
67.05508	27.3
67.05854	3.3
69.07073	23.6
70.93641	3.0
70.93967	2.5
71.08241	4.0
71.08632	67.9
73.97011	1.7
75.04480	2.1
79.05483	2.7
81.07054	41.7
83.08619	17.7
85.06528	1.5
85.10189	39.0
88.07619	3.6
91.05493	4.2
93.07036	4.8
95.08610	51.0
97.10175	8.4
97.29987	1.6
98.98477	2.7
99.11721	3.4
103.07560	1.9
105.07040	3.4
106.08669	2.5
109.10162	30.2
111.11723	5.7
113.28876	1.7
116.95639	1.6
117.40430	1.6
119.08595	4.3
121.10160	2.5
122.90884	1.8
123.11694	12.6
125.13282	5.6
133.10127	3.4
137.13240	4.3
153.01863	7.0
207.20981	2.0
225.22147	19.4
243.23180	5.5
246.05322	2.4
273.03894	2.1
274.54678	2.1
299.25830	58.4
302.04175	6.5
317.06592	29.1
317.17795	2.5
317.20981	9.8
317.24661	4.0
317.28665	3.3
317.32358	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	317.2689
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
52.02478	1.9
52.70460	1.9
53.00303	2.7
55.05516	9.8
56.91660	2.0
57.03420	7.9
57.07081	100.0
67.05506	26.3
69.07076	21.4
69.12346	6.4
69.12757	15.4
71.08241	4.2
71.08636	76.6
71.61210	2.0
75.04453	3.7
79.27438	1.8
81.07064	36.5
83.08629	20.0
85.10188	37.9
88.60525	2.2
95.08614	52.3
97.10165	5.7
103.07608	2.8
109.10166	31.1
111.11720	5.5
123.11711	11.7
125.13270	6.2
137.13251	6.0
153.01883	2.8
161.65804	2.4
201.30696	2.4
225.22160	27.0
243.23207	8.0
299.25845	55.4
317.06625	11.6
317.21100	2.5
317.32376	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.05490	0.6
57.03420	1.2
61.02915	1.0
64.71588	0.4
69.03431	3.8
69.07056	0.7
69.71893	0.4
69.80608	0.4
69.94377	1.6
70.60429	0.4
71.04991	0.5
72.08144	0.4
73.02943	0.6
76.91223	0.4
81.03415	1.5
82.06560	0.9
82.14388	0.4
83.19999	0.4
85.02905	7.1
86.09717	0.6
87.04448	0.7
91.03951	0.6
93.07034	1.3
94.10272	0.5
95.07349	0.4
95.08596	0.9
95.47002	0.4
96.04484	2.9
96.08121	2.9
97.02886	2.7
97.05264	1.9
97.06511	1.2
100.07603	1.3
101.63412	0.4
109.02876	0.5
109.06506	0.5
110.06049	5.9
110.09676	3.3
111.08102	0.9
120.08054	0.8
121.06551	1.0
125.08360	1.2
126.09167	8.2
127.03922	1.5
128.10730	0.5
137.78586	0.5
138.09148	18.9
139.07542	1.2
145.04956	0.8
152.10715	0.5
156.10205	100.0
157.10637	0.7
168.10201	1.3
173.12927	0.5
180.10271	0.5
181.06619	0.4
198.11240	1.2
318.15457	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	318.1814
Annotation	Ile Trp
Peak:m/z	Relative Intensity
56.05037	0.8
69.07072	14.0
70.06595	1.4
71.47906	0.4
84.08172	0.9
86.09708	100.0
87.10054	1.3
91.05482	0.6
107.04973	3.4
113.10793	0.9
118.06550	3.7
120.08125	0.7
130.06537	1.4
132.08060	1.9
141.10222	2.3
142.06540	0.8
142.28754	0.3
144.08101	4.6
146.06013	18.9
153.01859	1.8
153.23723	0.3
154.02205	1.1
156.06595	0.7
156.08453	1.2
156.10226	0.5
157.13509	0.5
159.09193	3.6
170.06010	1.8
173.06787	0.4
188.07072	43.3
188.55745	0.4
189.07448	0.6
189.12494	0.5
205.09729	35.9
213.07457	0.4
216.10588	1.4
229.04710	0.7
230.05209	0.7
247.05643	0.5
258.04868	0.8
259.11163	1.2
272.17679	0.5
275.05060	1.2
286.04385	1.0
303.04538	3.3
315.23468	0.4
318.06921	15.0
318.18097	7.8
319.04346	0.6
319.13156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1814
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
54.11612	0.8
69.07063	3.4
70.06599	5.8
71.48283	1.1
72.08143	0.8
74.02446	1.0
78.18530	0.8
81.03411	1.1
81.36031	0.8
84.08147	2.0
86.09709	100.0
87.09995	0.8
91.05484	1.4
93.07056	1.3
95.05006	1.1
105.07037	1.2
107.04962	22.3
109.02824	1.3
112.07680	0.9
113.10745	1.2
115.05466	1.6
116.07095	1.3
117.05769	2.0
117.07072	1.2
118.06546	4.5
120.08109	3.8
130.06534	10.9
130.08682	0.9
132.08101	17.8
138.05482	1.6
141.10233	5.1
142.06506	3.2
143.07321	1.3
144.07030	1.2
144.08098	16.9
146.06021	31.1
153.01874	1.0
157.13315	1.2
158.08369	1.1
159.09184	32.0
160.07600	1.8
170.06015	9.0
170.10031	0.9
173.12866	1.6
188.07079	64.0
205.09723	48.0
206.09981	1.0
225.09276	0.9
258.04825	0.9
260.11499	0.9
272.17459	1.7
273.16071	2.0
300.17218	1.0
301.15494	13.2
303.04507	1.1
318.06830	4.9
318.18137	12.6
318.21619	0.6
319.13187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2026
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05516	9.5
56.05032	0.9
57.07065	1.1
60.04530	26.5
67.36806	0.8
68.66898	0.8
69.03422	1.8
69.07065	1.5
69.69130	4.3
70.06596	4.1
72.08160	100.0
74.06081	0.8
81.07082	0.7
83.04938	0.9
84.08149	1.8
85.02882	2.0
85.06533	1.0
86.09711	38.5
87.05598	10.9
94.06563	0.9
96.08127	1.6
97.02901	0.9
98.20824	1.0
107.04961	4.3
111.09231	0.8
114.09169	12.3
118.08659	1.0
120.08102	3.0
128.10728	2.1
129.10260	1.1
129.14496	0.9
132.10211	15.0
137.22237	0.9
138.05490	1.0
140.06892	0.8
141.10272	1.1
156.10202	2.8
159.11301	74.2
173.12860	20.8
187.10789	32.5
201.12366	7.2
219.13419	22.6
231.16953	1.7
300.19205	1.6
318.06979	4.2
318.13342	2.2
319.12930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2063
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
53.03938	1.9
54.03465	0.6
55.01874	4.8
55.05515	3.1
56.05026	1.1
60.04515	0.9
62.12309	0.6
65.03935	1.0
67.05508	13.5
68.05017	2.1
69.07057	2.4
70.06587	3.3
71.29396	0.8
79.05497	18.9
80.04999	2.1
81.03423	1.2
81.07059	7.8
82.06561	1.7
83.08591	1.1
84.08160	0.7
85.06563	0.8
85.53506	0.5
88.59039	0.6
91.05488	9.5
92.05003	0.8
93.05769	0.7
93.07053	10.8
94.06577	9.4
95.04950	2.7
95.08607	4.3
96.08137	11.7
101.06644	0.6
105.04505	0.8
105.07044	6.0
106.06532	2.6
107.04962	7.4
107.08605	5.6
108.08124	2.3
109.05266	1.7
109.10121	1.4
110.06054	1.1
112.07604	4.8
117.07001	1.4
117.85307	0.6
118.06518	1.7
119.08572	3.1
120.08110	10.2
121.06513	1.3
121.10151	2.4
121.59597	0.6
122.06019	4.9
122.09641	1.0
123.08106	0.8
124.07570	1.4
126.05503	0.7
129.07021	0.8
129.09126	1.0
131.04909	0.6
131.08589	1.8
132.08119	0.9
133.06485	1.2
133.08868	2.5
133.10063	1.5
134.06070	0.8
134.09653	1.0
135.11678	1.9
136.07578	29.1
138.09160	1.1
143.08594	0.6
145.10097	1.5
146.09666	3.5
147.11685	0.9
148.07570	14.1
148.11195	0.7
149.08351	4.7
150.09132	2.5
160.07587	1.7
160.11188	2.1
162.09137	1.9
163.11156	6.2
170.09663	1.2
171.11716	0.9
174.09122	2.3
175.09904	0.8
176.10686	1.1
188.10680	0.8
230.05656	0.7
259.01776	0.6
272.20160	4.3
274.21655	1.6
282.18567	3.3
282.27765	0.8
288.19495	1.1
290.21173	3.1
300.19583	45.7
301.20035	0.8
318.06900	1.6
318.20645	100.0
318.30011	1.7
319.09897	1.0
319.20993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Flustramine C
Peak:m/z	Relative Intensity
52.67891	18.6
56.96571	21.8
61.04764	15.8
69.65064	28.1
69.65472	86.3
70.02744	14.8
72.30558	15.9
78.57945	15.9
90.08211	14.7
96.51212	17.4
98.21514	21.0
98.97603	27.8
119.01840	25.2
126.52234	17.9
150.16115	17.3
160.19673	16.7
179.13409	16.1
253.57034	17.2
302.48154	16.6
319.07751	100.0
319.10458	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	319.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48551	10.6
52.94664	11.6
54.98533	9.9
56.96574	77.3
69.03395	15.6
69.57487	70.3
70.16937	11.3
71.95277	11.0
72.08166	12.8
72.97842	10.3
76.91605	9.6
80.38699	11.0
84.08170	20.6
85.02905	30.9
86.09699	20.1
97.02903	22.9
98.97590	100.0
101.00897	15.4
101.63720	10.4
110.07185	19.0
110.97606	30.5
112.99127	30.8
116.98617	22.2
119.01908	22.1
127.06469	12.8
128.98566	17.2
129.10255	15.6
131.00226	16.2
133.03456	17.6
139.00705	31.1
143.01926	19.4
155.01859	16.7
157.01729	75.0
158.99666	13.9
161.03001	20.4
171.51254	11.4
175.02797	29.6
199.02855	67.2
201.00786	21.2
206.07008	19.3
217.02042	18.0
217.03893	47.6
219.01790	30.0
224.07961	13.7
237.58290	25.2
245.05032	25.0
247.06468	14.0
259.06824	24.1
291.19818	12.3
318.60892	18.9
319.07648	68.8
319.10269	69.3
319.15573	43.5
336.88058	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96349	0.4
53.03960	0.8
55.05504	1.5
57.07061	0.5
65.03954	0.4
67.05502	2.3
69.07070	3.0
69.78559	2.0
70.80296	0.4
70.88946	0.4
70.97176	0.4
79.05505	2.1
79.29873	0.4
81.07056	9.0
83.08621	1.2
85.06535	1.0
85.86684	0.4
91.05482	2.8
93.07046	3.4
95.04976	1.0
95.08609	8.9
97.06557	0.6
97.10193	0.8
105.07046	2.0
107.04961	58.4
107.08605	4.6
107.57202	0.4
109.06554	0.8
109.10170	3.8
119.04894	2.2
119.08573	1.0
121.10175	3.0
123.11712	3.3
127.07543	0.6
129.03151	3.5
133.10092	1.2
135.11719	2.9
137.05980	0.7
137.13271	3.3
145.10118	0.8
147.11681	1.2
149.13277	2.7
151.11140	0.6
163.11238	0.6
163.14832	0.9
167.06877	1.0
167.10667	0.7
177.12831	0.6
177.16432	0.6
179.08539	0.9
195.06285	1.6
197.09598	0.9
205.19398	0.9
213.07346	100.0
213.09009	4.6
214.07736	0.7
215.10814	0.5
221.47934	0.5
225.09076	2.7
242.39517	0.5
263.19968	0.7
288.74945	0.5
289.74225	0.4
309.65021	0.5
319.11191	2.2
319.22794	0.7
319.26300	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	319.1178
Annotation	Zeylanan
Peak:m/z	Relative Intensity
55.01866	0.9
55.05514	0.7
56.23563	0.4
67.05494	1.1
69.03434	0.6
69.07067	0.6
71.48312	0.7
72.40202	0.5
75.53462	0.4
79.05479	1.3
81.07066	2.3
85.06524	0.6
91.05486	2.9
93.07055	1.9
95.04949	0.6
95.08595	1.8
103.05503	0.6
105.07019	1.4
107.04955	5.5
107.08581	1.0
109.06553	0.4
109.10173	0.5
119.04935	1.8
119.08586	1.2
121.06523	0.5
121.10114	1.3
123.11728	0.5
128.06212	0.4
129.06956	0.5
131.04930	0.8
131.08559	0.7
133.10149	0.8
135.08029	0.7
135.11673	0.5
137.05969	1.5
141.07028	0.7
143.08560	0.5
145.06503	0.7
145.10129	1.1
147.07993	0.5
147.11690	1.2
147.90306	0.4
149.09579	0.6
151.03935	0.5
151.11194	0.4
153.06982	1.1
157.06456	0.5
157.10112	0.6
158.07271	0.8
159.08080	1.8
159.11665	0.7
161.05988	5.2
161.09598	0.9
161.13275	0.5
167.08659	0.5
169.06432	0.8
170.07233	0.7
171.08083	0.6
171.11653	0.6
172.08817	0.5
173.13185	0.5
174.06798	1.5
175.07570	3.5
175.14783	0.4
179.08638	0.4
181.06441	0.7
182.07240	0.8
183.08032	1.1
185.05988	1.4
185.09595	0.9
185.13254	0.4
186.06801	0.7
187.03827	0.4
187.07541	1.7
187.11118	0.4
188.08250	1.2
189.09119	4.0
195.08098	0.5
196.05313	0.5
197.05989	1.4
198.06755	1.7
199.07535	8.1
200.08319	4.5
201.09164	0.8
202.06250	8.1
203.07118	2.0
203.08762	0.4
203.10646	1.4
207.08006	0.5
211.07562	0.8
212.08334	3.6
213.05539	1.2
213.09134	8.8
214.09583	0.4
215.06985	0.5
215.10680	5.5
216.07791	1.0
217.08589	7.2
225.09103	2.2
227.07060	1.3
228.07834	2.5
229.04886	0.9
230.05717	4.7
241.08623	5.2
243.10175	12.9
244.07257	3.0
245.08101	100.0
246.08508	1.4
259.09644	13.4
273.11249	4.1
277.10706	0.8
287.08981	2.6
288.11310	0.6
301.10825	0.6
304.10950	0.8
319.11774	11.4
319.18903	0.5
319.30258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.87958	1.0
55.01857	1.9
55.05499	1.9
56.05040	6.5
58.99588	9.2
60.66496	1.0
61.01146	2.1
61.36464	1.0
66.40666	0.9
67.05494	3.6
68.05049	1.7
69.07079	2.2
69.49306	5.9
74.00658	2.5
76.02223	4.5
79.05497	4.3
80.05003	2.2
81.03417	2.2
81.07075	8.8
84.04473	1.6
84.08143	1.1
85.01146	5.0
85.02901	1.3
85.06509	0.9
86.00655	30.5
86.09718	2.6
87.02690	3.5
87.10032	2.0
88.02232	2.6
93.07043	1.5
94.06580	1.5
95.04968	1.7
95.08598	8.5
97.01133	1.6
98.09691	12.1
100.02209	2.1
101.04250	4.3
102.03751	1.8
102.05575	4.8
105.07031	1.7
107.04968	44.5
110.09694	4.1
112.03972	2.6
113.04242	21.3
115.05791	1.3
116.01700	5.9
122.09710	6.2
123.08076	6.9
125.05978	1.4
125.71272	1.2
126.66109	0.9
127.05798	1.4
129.07353	18.8
130.04970	2.2
130.06880	3.0
130.08607	1.3
139.05768	1.8
143.02773	3.4
144.01158	2.8
145.06122	3.1
146.02783	2.6
153.01787	1.4
156.08438	86.7
156.10204	14.1
157.08821	1.2
162.02199	3.2
167.08717	1.1
188.07098	1.2
189.03384	7.2
198.09514	16.3
213.07581	4.5
213.10426	1.8
216.07010	4.5
216.10551	100.0
225.09044	1.2
226.09003	2.6
255.11424	1.5
259.11136	89.4
260.11612	1.1
283.10956	1.3
301.12048	2.9
301.15250	1.2
319.13245	91.7
320.13641	1.1
323.15369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.13961	0.3
55.01863	1.2
62.18621	0.4
65.03942	1.5
70.23304	1.0
72.08516	0.4
77.03922	0.9
79.05488	3.1
83.60534	0.4
91.05479	27.2
95.04967	1.7
103.05463	0.6
105.04519	0.9
106.06583	0.5
107.04955	100.0
108.05289	1.1
119.04943	30.2
121.02851	4.0
129.06995	0.5
131.04907	1.1
137.05977	13.0
141.07005	1.5
144.05672	0.6
151.12575	0.4
152.06169	0.6
152.10513	0.4
153.06985	0.8
154.07733	2.1
155.08505	0.8
157.06476	0.6
165.07004	1.3
167.08560	1.8
169.06499	0.9
169.10117	1.0
177.06926	0.4
178.07779	3.0
179.08557	7.7
181.06444	2.7
182.07259	5.5
183.08090	0.7
185.09598	0.5
195.08075	2.1
197.05986	0.8
197.09618	5.7
207.07954	2.8
210.06744	2.1
211.07455	0.5
213.09109	63.4
214.09384	0.9
219.17908	0.4
225.09108	29.2
226.09445	0.7
243.10178	0.8
301.12192	0.8
319.09540	0.6
319.13211	8.2
341.58209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03948	1.8
55.01875	1.4
55.05517	0.7
65.03941	2.1
65.19964	0.5
67.05496	1.5
69.03439	0.8
69.07070	0.6
70.14196	1.9
77.03916	0.6
79.05503	3.7
81.03413	0.8
81.07055	1.6
83.04977	0.7
91.05483	27.2
93.07037	0.9
95.04972	2.0
95.08597	1.5
97.06520	0.5
105.04498	0.7
105.07030	1.3
107.04957	100.0
107.08576	1.1
108.05301	1.2
109.06505	0.6
109.10143	1.1
117.57671	0.4
119.04941	29.4
119.08605	1.3
121.02886	2.1
121.06564	0.6
121.10116	1.3
125.09689	0.6
131.04927	1.5
133.10120	0.7
137.05975	13.3
141.06966	1.8
141.47974	0.4
145.10127	0.8
147.11682	0.5
152.06194	0.9
153.06981	0.6
154.07742	1.4
155.02335	0.6
157.06480	0.7
157.10103	0.6
159.11813	0.5
165.07008	1.2
167.08580	1.3
168.05740	0.6
169.06429	0.7
169.10133	1.5
178.07829	2.3
179.08554	5.2
181.06470	2.0
182.07274	3.6
183.08136	0.6
187.14862	0.7
195.08136	1.7
197.05965	0.8
197.09641	4.5
197.13281	0.6
207.08102	2.0
210.06732	2.1
213.09108	63.4
225.09106	31.6
226.07259	0.5
226.09320	0.7
243.10182	0.9
255.11369	0.6
272.07925	1.3
276.02707	0.5
283.10687	1.2
301.11835	3.8
301.21503	0.7
304.04651	0.6
319.07208	3.3
319.13223	6.4
319.19144	0.8
319.22751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01881	1.0
65.03943	1.7
67.05514	1.1
69.07075	0.7
70.51788	1.9
79.05508	4.6
81.07063	3.5
91.05489	25.3
93.07044	2.2
95.04968	1.7
95.08623	2.1
105.04537	1.0
105.07032	1.4
107.04961	100.0
107.08618	0.8
108.05259	0.7
109.10166	1.2
119.04951	27.2
119.08603	0.9
121.02876	1.3
121.10146	0.6
123.08111	0.7
131.04892	0.8
137.05984	11.7
141.06989	1.2
149.13281	0.9
154.07828	1.4
157.06467	0.8
159.11719	0.8
165.07053	1.3
167.08476	1.1
169.10162	1.5
178.07828	1.9
179.08572	5.2
181.06509	1.5
182.07292	2.5
183.08144	0.8
195.08139	1.6
197.06076	0.9
197.09619	2.9
207.08125	2.2
210.06804	1.8
213.09116	62.3
214.09479	0.9
215.10657	0.8
225.09117	28.3
319.09961	1.2
319.13220	6.3
319.16382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01871	1.6
65.03944	1.4
67.05502	1.7
69.03448	0.5
69.07069	1.4
77.90563	0.5
79.05496	4.3
81.07057	3.5
83.08617	0.8
91.04913	1.3
91.05485	26.8
93.07068	2.1
95.04969	2.1
95.08620	3.1
105.04488	0.7
105.07037	1.5
107.04960	100.0
107.08594	1.7
108.05249	1.0
109.10166	1.9
119.04947	29.6
119.08608	1.4
121.02862	4.6
121.06557	0.9
121.10172	1.1
123.11749	0.7
128.06195	0.6
129.06976	0.6
131.04932	1.7
133.10101	0.8
135.11714	1.4
137.05988	14.2
137.09654	0.8
137.13271	1.2
141.06967	1.5
145.10155	0.7
147.11690	1.1
149.13287	0.9
151.07506	0.6
153.07051	1.3
154.07773	2.0
157.06477	1.3
165.07057	1.0
167.08565	2.0
169.06543	1.3
169.10136	2.6
173.13319	0.7
178.07869	2.5
179.08553	9.3
181.06537	1.9
182.07269	5.6
183.08058	1.0
195.08104	2.0
197.05948	1.3
197.09621	7.5
207.07974	2.8
210.06761	1.9
211.07574	0.7
213.09113	67.4
214.09430	0.7
215.10785	1.1
225.09113	32.8
301.12036	1.7
319.07034	1.6
319.13260	9.9
319.22717	0.7
319.26331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01874	1.7
55.05514	0.8
56.37323	0.5
60.78430	0.5
63.52795	0.6
65.03938	1.3
67.05498	2.0
69.03423	1.0
69.07066	1.6
69.40471	3.6
79.05491	3.8
81.07058	2.9
83.04993	0.8
91.05486	29.3
93.07059	2.0
95.04971	1.7
95.08591	3.2
105.04559	0.6
105.07032	1.9
107.04959	100.0
107.08573	2.7
108.05312	0.9
109.06567	0.9
109.10185	1.4
115.05476	0.6
119.04945	31.5
119.08635	1.3
121.02872	4.1
121.06535	1.2
121.10148	1.4
123.11736	1.2
125.09573	0.5
127.33862	0.6
131.04941	1.3
131.08607	0.6
133.10143	1.2
135.11691	1.2
137.05978	12.7
137.06963	1.1
141.06990	1.2
144.05789	0.8
145.10135	1.0
147.11684	0.8
149.09650	0.7
149.13196	0.7
153.07033	1.2
154.07782	1.6
155.08597	0.9
157.06488	0.9
159.11737	0.9
161.13353	0.6
165.07008	0.6
165.09143	0.8
167.08569	2.4
168.05710	0.7
169.06487	1.5
169.10158	1.3
178.07828	2.5
179.08557	8.0
181.06551	2.9
182.07263	6.1
187.11194	0.9
195.08102	2.0
197.05994	1.3
197.09625	6.1
207.08118	1.9
210.06795	2.1
211.14752	0.5
213.09114	64.7
214.09581	1.9
215.10698	1.3
225.09117	34.7
243.10199	0.8
301.11984	1.4
301.21548	1.0
317.95560	0.6
319.09888	0.7
319.13251	9.8
319.22787	0.7
319.26367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05037	2.6
57.03425	0.5
57.07075	5.5
66.88704	0.4
67.05501	1.5
69.03436	1.3
69.07076	1.1
70.06599	4.2
71.06914	0.4
71.47768	0.7
72.08167	1.1
74.02422	0.7
75.42849	0.4
75.79198	0.4
81.03425	0.9
81.07062	2.0
82.06569	0.7
83.04984	0.9
84.04507	3.7
84.08144	100.0
85.02904	2.4
85.06541	11.6
86.09710	2.9
91.05487	1.7
93.07042	2.7
95.05006	0.4
97.02901	0.9
99.33224	0.5
100.07657	0.7
102.09200	0.6
107.04961	10.4
107.08595	0.5
109.02896	0.5
109.06542	1.7
109.11031	0.5
110.06042	0.6
110.07165	1.1
111.08082	1.8
111.09214	1.8
112.07622	3.6
116.07091	1.2
118.06540	0.8
120.08070	1.9
121.06509	0.6
121.08452	0.4
121.10159	0.5
123.04455	0.4
124.07597	0.4
127.04066	0.5
127.07552	0.8
127.08747	0.5
129.10263	2.3
130.05023	3.1
130.06560	1.4
130.08646	23.3
136.07597	1.4
137.06026	1.1
138.09161	0.6
139.11208	0.7
145.08621	1.7
146.06039	1.2
147.04419	0.4
147.11288	11.5
149.02272	0.6
149.05972	0.4
151.04007	0.5
152.07137	0.5
153.01823	0.9
154.08731	0.4
156.10210	2.2
157.09659	11.2
157.12358	0.6
158.06071	0.5
162.05525	0.4
170.05980	0.5
172.09721	0.6
175.08727	0.8
177.05432	0.5
180.87479	0.4
188.07115	1.3
190.10768	0.7
192.13902	1.0
194.15475	2.7
196.13316	7.7
196.14905	0.6
202.10732	0.6
203.08186	1.0
210.14948	1.3
237.16045	1.0
238.14366	3.2
242.10507	0.5
242.47058	0.4
245.09253	1.4
255.11325	0.9
255.17050	4.0
256.15451	7.3
257.18668	0.6
273.03992	1.0
273.12268	0.6
273.18082	5.7
301.12036	2.1
301.17737	3.7
310.53561	0.5
319.04306	1.0
319.13297	2.7
319.18732	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
51.43723	3.7
53.03948	7.9
55.01853	4.8
55.05510	19.6
57.07067	12.0
58.30542	2.9
59.04993	7.1
65.03934	3.8
67.05509	46.2
69.03427	30.4
69.07070	26.5
69.19412	30.3
69.19750	5.6
69.19890	2.7
71.04992	26.3
76.58479	3.3
79.05491	35.5
81.03419	6.2
81.06602	4.2
81.07062	73.2
83.04990	18.1
83.08627	5.0
85.06557	9.0
87.04456	3.1
91.05487	33.9
92.05824	3.5
93.07046	100.0
95.04980	29.6
95.07995	4.2
95.08609	75.7
97.06538	16.1
97.10155	6.4
103.05497	5.8
105.03384	4.4
105.07038	54.8
107.04961	38.5
107.08608	59.1
109.06533	24.2
109.10165	49.1
111.04450	4.6
111.08095	7.8
115.05428	3.6
117.07014	9.0
119.04955	5.0
119.08595	53.1
121.06499	17.1
121.10148	59.8
123.08071	14.8
123.11704	14.6
125.05992	5.3
125.09666	15.2
128.06189	3.9
129.06998	7.5
130.07878	3.5
131.08557	27.8
132.20576	3.3
133.10144	41.3
135.08022	17.8
135.11690	36.9
136.07574	3.6
137.05954	5.7
137.09621	90.0
139.07611	3.8
139.11154	21.4
142.07799	4.4
143.08546	13.4
145.10143	34.6
147.08058	9.9
147.11661	19.1
149.02353	3.3
149.09651	15.9
149.13232	3.3
151.11246	19.2
153.01804	8.2
153.09084	3.6
153.12738	12.2
155.08597	4.1
155.10638	5.4
157.10129	18.7
159.08127	5.4
159.11674	19.6
161.02333	3.8
161.09645	21.3
161.13266	5.6
163.11169	14.2
165.07043	3.7
165.09023	3.6
165.12764	4.6
167.10722	7.3
169.10156	5.8
171.11667	16.5
173.09633	5.0
173.13228	11.1
175.11168	7.7
175.14850	7.8
177.12813	4.5
179.10693	9.9
179.14322	4.1
180.11470	4.3
181.12169	10.0
183.11668	4.4
185.13197	7.9
187.11234	6.9
187.14821	14.6
188.86168	3.7
189.12695	6.1
189.16519	3.6
191.14400	5.0
193.12289	6.1
197.13284	11.0
199.14818	8.1
202.63666	3.5
203.14317	6.1
205.15800	4.8
211.14761	3.2
213.09009	3.3
213.12657	3.9
213.16434	9.2
215.10535	3.5
215.14275	17.4
223.14932	3.4
225.16449	3.6
227.14275	4.3
231.17455	9.3
233.15303	16.5
249.18459	4.3
255.21002	4.6
259.09824	5.8
265.19434	4.2
273.22192	3.4
283.20584	15.1
301.11893	3.4
301.21603	43.0
319.06863	5.8
319.12939	4.6
319.22678	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	3.2
55.05521	1.8
55.93550	1.7
56.05033	5.7
56.96568	3.4
57.03437	3.4
60.04530	28.8
61.01156	1.5
61.02927	2.7
67.05499	9.2
68.05028	1.5
69.03436	12.6
69.07072	100.0
69.44641	6.0
69.45047	2.0
70.02954	3.0
70.03825	1.1
70.06596	16.0
71.04987	1.2
72.04513	1.9
72.08154	9.1
72.93786	1.2
73.02887	1.4
74.06076	17.8
79.05475	1.7
81.03419	4.8
81.07062	1.0
83.04951	1.2
84.04493	4.2
84.08154	9.1
85.02911	40.2
86.06091	1.2
86.09709	70.1
87.04428	1.5
87.05591	10.9
87.10039	1.2
88.04039	1.3
91.05479	1.3
95.04991	8.4
95.06068	1.6
96.04494	1.2
97.02897	22.3
97.06548	1.6
97.07713	1.0
98.06071	6.0
98.20757	1.6
98.97613	5.7
99.04465	2.0
102.05566	2.8
103.03970	2.5
104.05334	4.2
107.04968	18.7
108.05279	2.3
108.08118	1.3
109.02883	6.9
110.06066	1.6
110.07175	3.3
110.09708	2.3
110.97571	1.2
112.07617	19.8
113.06021	5.5
114.05546	1.6
115.08687	1.2
115.53620	1.1
116.07094	21.2
116.98619	1.8
120.06588	6.4
120.08127	4.6
122.06085	1.6
123.04411	2.0
126.05553	2.6
127.03940	7.3
128.10716	5.4
128.98682	1.7
129.10251	4.4
130.04985	2.8
131.06908	1.1
131.95222	1.0
132.08113	2.6
132.10205	3.7
133.08485	1.9
136.07603	4.4
138.05576	1.4
140.07077	46.8
141.05447	2.0
143.08170	7.2
143.11790	1.4
144.06551	1.3
145.05042	2.5
147.04504	1.1
155.00269	1.0
155.11816	4.1
158.08138	73.0
158.99629	1.3
159.06432	1.1
159.09207	2.6
160.09549	2.5
161.09216	10.8
164.07127	2.5
165.45255	1.0
171.06367	2.6
173.12872	66.7
182.08145	18.3
189.08717	9.3
200.09192	16.7
201.12329	16.4
201.14017	1.6
203.12212	4.3
206.08119	1.3
215.13977	3.8
217.08147	1.6
219.01797	3.0
219.13335	1.7
223.02835	1.5
224.09283	3.7
231.11685	2.1
232.04143	1.3
233.15027	3.0
234.99014	1.8
237.02788	3.6
266.10254	2.7
285.12347	1.6
288.47452	1.3
302.17108	9.5
320.08118	1.5
320.14047	39.5
320.17545	1.7
321.14508	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	321.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91572	11.3
52.10394	14.0
54.71909	12.3
56.05034	22.5
56.96556	18.6
60.04511	23.4
60.38864	11.9
69.03417	18.9
69.93209	32.1
69.93604	23.9
70.06572	28.1
71.07943	13.3
74.06066	30.6
84.08153	25.1
86.09701	40.1
87.10033	14.4
87.69049	12.4
98.97588	17.7
107.04953	100.0
116.07116	20.7
129.10236	14.3
148.58081	14.7
161.09221	27.5
190.09146	16.4
220.13847	18.4
297.02884	16.7
303.13458	18.7
321.03662	65.2
321.14258	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	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43418	0.8
52.72788	0.7
56.96305	1.4
56.96567	22.1
57.03430	1.3
60.04519	1.5
60.05625	0.8
61.02934	1.1
69.03423	2.9
69.07063	1.7
70.06584	3.6
71.04987	0.7
71.20929	1.9
71.95261	1.9
72.93786	0.9
81.03423	1.5
84.04492	0.8
84.08147	2.9
84.96038	9.3
85.02901	4.6
86.09697	3.0
87.10034	1.2
96.36750	0.8
97.02898	1.9
97.96793	1.8
98.97586	100.0
102.16114	0.8
107.04977	3.4
110.97572	27.1
112.99138	3.4
116.98625	26.1
120.08137	1.5
123.04415	6.0
124.99115	5.9
126.97092	1.9
127.03923	1.6
128.98610	17.8
131.00185	2.1
132.95825	1.6
134.99652	3.2
140.00189	1.1
140.98607	6.2
143.00171	9.7
144.95827	1.4
144.98128	4.4
146.99673	3.7
152.98593	10.3
155.00182	0.9
157.98834	0.9
158.97429	2.8
158.99641	18.1
159.03249	1.2
161.01221	4.7
162.99181	1.6
170.99644	9.4
177.00734	10.8
177.02153	1.4
189.00737	4.4
196.61363	0.8
201.00697	6.2
201.04399	2.0
216.97926	1.1
219.01764	28.5
219.05096	1.4
234.98975	6.6
235.02736	0.8
237.02809	23.9
251.62697	1.0
255.04117	0.8
261.06427	14.5
261.08868	1.2
279.07516	88.3
297.08566	10.2
302.09048	1.4
303.13461	0.9
321.08658	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46296	1.2
53.03939	2.3
55.05502	4.8
59.42408	1.2
61.61937	1.0
67.05515	18.2
69.03421	2.0
69.07059	3.2
70.06591	1.6
70.57005	2.1
71.04985	3.3
72.08147	5.2
77.13988	1.0
78.41076	1.0
79.05486	4.2
81.03410	2.1
81.07059	13.9
83.04969	2.5
83.08595	1.2
84.08120	3.2
85.06544	1.8
86.09698	2.1
91.05499	5.7
93.07050	10.7
94.06581	12.3
95.04980	8.1
95.08616	8.3
97.06513	3.2
98.09279	1.0
99.04457	1.4
103.67752	1.1
105.07058	5.5
107.04976	10.1
107.08617	6.8
108.05283	4.9
109.05595	1.7
109.06522	4.8
109.10181	7.0
111.08108	2.6
114.05531	1.3
119.08594	5.5
121.10152	5.2
122.06036	45.0
123.04439	1.2
123.11693	4.8
125.09640	1.6
127.11202	1.7
129.06853	1.1
131.08603	1.7
133.10129	5.0
135.08040	1.7
135.11662	2.6
136.07585	60.0
137.09557	3.5
137.13190	1.3
139.11179	2.7
142.07777	1.2
143.08475	1.6
145.10103	2.9
147.11597	3.2
149.09662	1.8
149.13210	1.5
150.05452	1.8
151.11153	1.6
155.10657	1.6
157.10051	1.5
159.04417	1.3
159.11670	2.0
161.09602	1.9
163.11214	2.6
164.07076	100.0
165.12810	1.1
173.13190	1.5
175.11232	1.7
177.16301	1.4
182.08138	67.4
199.14757	1.9
217.15845	1.2
220.59709	1.2
240.10240	1.2
258.11435	1.5
261.09210	2.0
286.10864	1.3
303.13260	3.3
303.23123	3.5
304.11682	4.8
321.10938	2.1
321.14270	2.2
321.24316	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	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99426	0.8
51.11176	0.7
67.91380	0.8
69.07079	1.3
71.05354	2.1
78.74156	0.8
79.05494	1.3
79.66899	0.8
81.07051	2.4
86.09709	90.1
87.10055	1.3
91.05470	1.5
93.07037	2.1
93.17888	0.8
95.04971	1.2
95.08587	1.2
97.06513	1.2
101.29035	0.8
103.05479	5.4
105.07005	1.4
107.04948	2.6
107.08593	1.5
109.10137	1.3
114.24685	0.9
120.08111	100.0
121.10138	1.5
128.10722	47.7
131.04951	1.9
135.11697	0.9
149.05942	1.3
152.16364	0.8
156.09157	1.1
156.10228	10.6
166.08649	50.9
175.14948	1.0
303.23187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.70275	3.5
53.03931	4.5
55.05523	27.6
57.03443	5.2
57.07077	8.8
59.04987	10.2
61.79665	3.7
66.07533	3.1
67.05510	44.4
67.98594	3.5
69.01184	3.5
69.03435	58.0
69.07069	45.4
70.03506	12.9
71.05002	28.1
79.05492	34.9
81.03417	9.7
81.06594	6.2
81.07061	100.0
83.04975	16.3
83.08621	13.2
84.08149	8.7
85.06535	12.3
91.05492	26.9
93.07052	74.7
95.04974	18.9
95.08612	79.6
97.02888	4.4
97.06536	25.5
97.10168	10.5
99.08073	6.3
105.07037	45.0
107.04956	21.2
107.08606	70.9
109.06526	13.9
109.10173	50.8
111.08089	21.3
117.07001	10.3
119.08606	37.9
121.06506	5.5
121.10140	55.7
122.06009	4.7
123.08067	27.4
123.11710	39.1
125.05974	3.6
125.09635	71.9
127.11184	9.4
129.07042	4.0
131.04947	20.4
131.08577	8.1
133.10136	26.2
135.08064	14.3
135.11690	30.1
137.09651	22.8
137.13246	12.0
139.11183	14.0
141.09097	4.4
143.08562	7.9
145.10114	22.9
147.11687	16.7
149.09613	11.1
149.13292	11.3
151.07567	8.5
151.11174	14.8
153.09081	27.6
153.12743	12.0
155.10666	5.0
155.92279	3.8
157.10109	12.6
159.04430	42.0
159.07956	3.5
159.11667	20.5
159.56767	3.5
159.97372	3.6
161.09669	3.6
161.13319	10.6
163.11234	20.5
163.14806	4.6
165.09186	4.7
165.12776	10.2
167.10663	6.3
171.11705	5.7
171.57112	3.7
173.13255	9.2
175.11227	4.8
175.14830	8.4
177.05495	8.9
177.12752	9.3
182.08191	4.4
187.14853	11.4
189.16376	10.7
191.14345	5.0
194.25209	3.9
199.14938	7.4
201.16417	10.4
205.15929	4.2
206.71851	3.8
213.16403	7.7
217.15913	9.1
219.17488	15.6
235.07512	3.8
235.17015	13.9
237.18690	4.3
261.09222	4.7
275.23715	3.9
285.12451	5.2
285.22162	13.3
303.13437	6.8
303.23117	30.5
321.11185	7.3
321.14774	6.7
321.24261	85.3
321.96561	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03941	4.9
54.20361	3.1
55.01862	3.6
55.05525	19.7
56.42299	2.8
57.03434	5.1
57.07084	7.0
59.04992	4.4
67.05510	40.3
68.22708	3.4
69.03419	6.1
69.06734	4.5
69.07076	53.8
71.03056	6.8
71.04992	33.1
79.05494	27.6
81.06592	6.2
81.07061	97.2
83.04978	9.4
83.08630	6.0
85.06565	5.4
91.05489	24.6
93.07048	81.9
95.04987	23.5
95.08611	100.0
97.06534	13.3
97.10162	7.3
99.08118	7.1
105.07034	39.1
107.04936	4.0
107.08588	42.5
109.06535	13.6
109.10163	40.7
111.08092	4.3
111.11711	6.6
117.07021	5.7
119.08605	24.9
121.06506	8.2
121.10151	61.7
122.06035	7.2
123.08070	14.5
123.11707	51.2
123.65763	3.3
125.09650	8.3
127.11193	8.4
131.08585	12.4
133.10165	24.2
135.08109	3.3
135.11725	29.1
136.07599	11.3
137.09642	24.2
137.13220	15.4
139.11195	14.3
141.12743	3.7
143.08578	6.9
145.10141	25.1
147.11699	15.3
149.09662	9.7
149.13254	9.8
151.11197	8.1
153.12733	13.5
157.10165	10.0
159.11690	16.0
161.13268	7.7
163.11226	13.5
163.14810	5.5
164.07004	4.1
165.12743	6.8
167.10686	26.3
171.11800	5.1
173.13275	12.3
175.14827	6.0
181.12300	8.0
187.14841	5.8
189.16440	8.5
199.14772	17.1
205.15909	4.2
212.96587	3.4
213.16289	3.8
215.17992	5.8
217.15982	5.6
235.16959	7.3
267.21161	3.7
285.22137	13.2
303.23151	26.4
321.11273	7.3
321.24274	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	321.2424
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03939	4.4
55.01868	3.7
55.05507	16.6
57.03428	3.5
57.07067	4.2
59.04989	5.6
65.03933	3.9
67.05502	32.5
69.03428	11.0
69.07075	42.8
71.04989	23.8
71.48660	5.5
79.05499	23.6
81.03431	4.6
81.07054	56.4
81.07524	3.4
83.04980	5.5
85.06555	6.5
91.05480	25.8
93.07046	100.0
95.04967	60.1
95.08601	55.6
95.26740	2.9
97.06532	18.1
97.10145	3.8
105.04531	3.4
105.06998	30.2
107.04963	34.7
107.08604	36.5
108.05283	7.4
109.02917	4.0
109.06526	10.8
109.10148	19.2
111.08089	7.7
111.11720	6.7
117.07048	6.8
119.08575	27.9
121.06516	11.9
121.10146	72.4
123.08051	13.3
123.11720	15.4
125.09633	9.0
127.03876	4.8
127.11205	4.3
129.06996	3.4
131.08563	13.4
133.06503	4.5
133.10103	15.0
133.31747	3.2
135.08061	3.8
135.11667	31.7
137.09651	8.1
139.11195	28.6
143.08545	8.0
145.10129	27.6
147.11699	13.9
149.09625	8.2
149.13229	7.6
151.11136	5.2
153.12703	19.2
155.08578	3.7
157.10124	17.1
159.11723	18.0
161.06041	4.4
161.13263	6.9
163.11172	15.4
165.12643	3.2
167.10706	13.3
169.10159	3.5
171.08057	3.9
171.11742	6.2
173.09625	6.8
173.13289	9.3
175.14793	4.6
177.96495	3.0
181.12244	8.7
185.09636	4.4
189.16412	4.4
191.14365	3.8
196.71591	3.0
197.13167	5.4
199.14816	21.6
202.66896	2.9
211.07532	6.1
213.07306	7.8
213.09122	4.9
213.16451	3.5
214.07764	7.8
215.07858	16.2
215.17979	5.2
217.15858	5.8
233.09833	3.4
235.16884	20.6
253.37555	3.3
261.09006	6.4
261.12582	4.3
267.21259	4.3
275.14276	5.5
285.22165	12.7
303.13654	5.8
303.23111	16.4
321.11417	4.3
321.14594	17.2
321.24109	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	321.2425
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.82299	0.5
53.03933	1.0
55.01854	0.9
55.05268	0.7
55.05512	7.6
55.67925	0.4
57.03430	0.6
57.07069	2.6
59.05005	0.6
65.03934	0.5
67.05507	6.2
69.03419	0.7
69.06734	0.6
69.07068	7.3
70.18753	0.9
70.19106	1.7
71.04984	1.9
71.08627	1.6
79.05498	5.1
81.07058	11.4
83.04969	1.9
83.08624	3.4
85.06529	1.8
91.05466	3.7
93.07052	6.3
95.04968	0.7
95.08608	12.3
97.06516	1.2
97.10181	2.9
99.08083	1.3
105.07065	3.1
107.04929	0.9
107.08596	4.6
109.06524	15.4
109.10172	4.0
111.08087	2.0
111.11671	0.6
119.08573	5.1
121.06439	0.7
121.10146	4.7
122.07278	1.4
123.08070	59.2
123.11674	1.4
129.07037	0.7
131.08553	1.5
133.10103	2.3
135.08044	6.2
135.11681	2.0
136.08846	0.7
137.09651	2.9
137.13191	1.2
139.11148	1.4
145.10133	1.7
147.11702	1.7
149.09599	1.9
149.13260	0.9
157.10115	0.7
159.11699	1.7
161.13255	1.4
163.07448	0.6
163.11115	0.6
163.14839	0.6
165.12749	0.8
167.14395	0.6
170.70084	0.6
173.13297	0.8
175.14752	0.8
177.16301	0.7
179.14314	48.7
183.11720	0.7
187.14775	0.8
193.15874	1.3
203.12761	0.7
205.15889	1.4
224.08496	0.6
224.73444	0.5
229.15929	0.7
247.16942	1.4
261.22153	0.6
265.17990	15.7
275.23694	0.6
279.19376	0.6
279.23322	0.6
293.87482	0.6
303.23264	4.9
321.24243	100.0
322.24561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1762
Annotation	Phe Val Gly
Peak:m/z	Relative Intensity
50.19732	0.4
55.05517	7.0
56.05031	1.1
57.05796	0.4
59.21644	0.4
60.04547	0.6
60.05656	0.6
65.75552	0.5
67.13772	0.4
69.07072	0.5
70.06593	4.6
71.43813	0.8
72.08158	61.2
74.02449	0.8
81.35306	0.5
84.04498	0.8
84.08146	1.7
86.09711	4.0
90.40166	0.5
93.07034	0.6
103.05466	2.2
107.04955	0.9
110.07168	1.0
116.07113	0.6
120.08109	100.0
121.08445	0.8
122.06055	0.6
129.10220	0.7
136.07544	0.5
142.06503	1.3
149.09625	0.5
160.07611	1.8
166.05380	1.0
175.12000	0.5
205.67345	0.4
219.14932	28.6
220.15285	0.6
223.10785	18.4
247.14409	7.3
269.91190	0.6
322.09299	0.7
322.13715	1.5
322.18073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	1.0
55.05516	11.2
56.05031	1.3
57.05810	1.3
60.56947	0.6
70.06596	2.5
70.93644	1.0
70.93975	0.9
72.08157	100.0
73.08498	0.6
84.08150	1.3
86.06779	0.6
86.09712	1.5
90.59404	0.6
91.05463	0.7
103.05499	1.1
113.07143	0.6
120.08108	47.0
121.08322	0.8
129.10226	4.7
131.04965	1.2
135.97923	0.6
141.57149	0.7
149.06020	1.1
157.09729	10.8
160.07545	0.7
166.07214	1.4
166.08643	30.5
177.10234	6.8
205.09840	0.6
213.96294	0.6
223.10765	19.7
249.44902	0.6
277.15540	0.8
292.57382	0.8
322.18454	1.8
323.13266	0.8
339.59753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.1
57.03067	0.9
60.04544	1.6
62.06093	100.0
67.05175	1.8
67.05506	17.5
69.07075	3.5
69.47002	7.8
79.05503	10.2
81.07063	16.7
83.08634	2.4
90.56879	1.0
91.05479	5.6
93.07044	13.3
95.08622	12.6
105.07033	3.1
107.08613	7.0
109.10168	5.2
119.08594	4.6
121.10171	5.8
123.11749	2.8
126.13672	1.0
131.08597	2.9
133.10190	1.2
135.11717	4.0
145.10182	2.5
147.11687	1.0
149.13295	2.8
150.37848	0.9
150.57121	0.9
159.11674	1.3
161.13326	2.3
173.13342	1.2
177.22183	1.0
198.14896	1.9
214.17981	1.0
243.21239	1.1
244.76385	1.0
261.22162	3.8
268.32645	1.0
288.99161	1.0
304.26535	2.9
305.24716	2.4
322.27448	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25805	0.5
53.03952	1.2
55.05519	3.4
57.07080	1.6
60.04527	1.8
62.06091	100.0
67.05505	15.6
67.05842	1.2
69.01397	0.6
69.07074	2.8
70.06557	0.8
71.00784	1.3
73.45551	0.6
79.05496	12.2
81.07059	18.4
83.08614	1.8
85.10210	0.9
91.05481	5.5
92.94492	0.6
93.07044	13.5
95.08609	14.1
97.06539	1.3
97.10193	0.8
99.04463	0.7
105.07008	3.8
107.08595	7.9
109.10158	6.5
109.45531	0.6
117.07019	1.6
119.08601	3.2
121.10149	7.3
123.11713	2.5
130.08612	0.8
131.08586	3.1
133.10143	2.0
135.11710	4.6
137.06024	0.8
137.13330	1.8
140.03770	3.4
145.10182	2.0
147.11748	2.1
148.71300	0.6
149.09712	0.6
149.13234	3.1
151.14821	1.0
158.11807	0.8
159.11742	2.0
161.13271	0.7
163.14891	2.6
165.16544	0.8
172.13318	0.9
173.13358	1.8
177.16402	3.4
186.15051	1.0
187.14879	1.5
200.16463	0.9
208.18716	0.6
212.16498	0.7
243.21016	4.7
261.22177	5.4
271.56818	1.0
277.00357	1.4
279.07932	1.1
291.10394	1.0
295.01385	1.9
304.26465	2.1
305.24850	1.7
314.92279	0.6
322.11926	0.8
322.18936	0.7
322.27423	15.6
322.30948	1.0
323.13062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	3.2
56.96569	47.6
56.96850	3.3
57.03433	4.7
60.05640	1.5
61.02919	3.0
63.75923	1.5
69.03435	9.9
69.66974	8.2
70.06599	11.2
70.98116	15.1
71.04987	2.3
71.95266	2.5
72.08149	6.0
72.96053	2.1
73.02904	4.3
74.97607	2.2
81.03400	3.5
84.08138	5.3
84.96028	3.7
84.99599	3.1
85.02908	17.5
86.09705	6.4
86.97594	3.8
87.04481	3.2
88.99120	2.9
91.68562	1.5
97.02889	10.4
97.96839	1.9
98.20738	1.6
98.97589	100.0
99.01173	3.9
99.04459	3.5
100.99162	2.3
101.00867	5.1
102.00979	2.2
103.00637	26.8
107.04944	5.1
109.02869	3.8
110.97587	15.5
112.99124	8.9
114.97043	8.4
115.00628	10.2
115.02410	3.0
116.98626	29.6
117.02216	9.5
119.01910	4.8
119.03786	2.3
120.01973	1.7
120.08118	5.9
121.01663	23.1
121.02443	1.8
124.95462	5.2
124.99118	3.3
126.97127	1.9
127.00620	1.6
127.03914	6.7
128.98595	15.7
129.02161	2.5
129.10162	1.8
131.00154	4.6
131.01917	1.8
131.03790	1.8
132.98090	13.2
133.01680	16.3
134.99634	7.2
135.03204	12.6
136.06224	2.5
139.00645	1.9
139.02669	3.3
140.98668	3.0
142.96553	3.4
143.00169	5.7
143.01912	4.6
144.98094	4.2
145.01648	7.8
145.03423	1.7
145.04955	2.9
146.99635	8.2
147.03189	6.6
148.03859	3.4
149.01201	4.3
149.04720	2.2
150.99168	7.9
151.02672	2.0
152.05031	2.0
152.94942	2.8
152.98616	2.7
155.01871	3.8
156.98094	3.0
157.01604	9.5
157.03563	2.7
158.03636	1.5
158.99669	13.4
159.03221	4.6
161.01176	4.4
161.02985	2.9
161.04723	5.7
161.05725	3.2
162.99063	2.2
163.02733	9.3
163.08452	1.7
169.04425	2.5
170.96045	10.1
170.99585	11.4
171.05014	2.5
173.01231	4.1
173.03152	1.9
173.04726	9.4
174.99181	12.6
175.02637	10.0
175.06294	2.2
175.11934	1.8
177.00726	9.3
177.04173	2.1
179.02235	2.3
180.07678	2.2
183.05069	1.7
184.97574	4.9
185.01343	2.5
188.97102	12.5
189.00661	16.3
191.02182	7.3
191.05907	5.0
193.00204	20.8
193.03862	4.5
198.99083	3.4
199.45949	1.6
201.00719	4.1
202.98677	9.0
203.02176	3.9
203.04060	3.4
203.05856	3.3
204.02676	1.9
205.00284	1.8
205.03815	7.0
206.98120	2.6
207.01765	3.8
212.97069	4.6
215.05933	1.9
217.00172	16.0
219.01768	18.8
220.05974	2.6
220.99693	16.7
221.03255	3.7
221.06938	3.3
223.04837	12.1
230.98161	17.1
231.01614	8.5
233.03180	2.5
233.07098	3.8
235.01126	3.9
235.04857	8.4
237.02774	11.0
239.00764	4.5
242.07217	3.5
244.99710	10.3
245.07198	2.0
247.05046	2.0
248.99213	5.1
249.02850	21.9
262.08377	1.6
263.00766	21.4
263.04340	9.4
263.07898	14.6
277.05966	1.6
281.01837	15.6
281.05420	18.8
281.09137	21.5
291.03842	2.8
295.07043	2.4
299.02682	3.9
303.09207	3.0
305.01660	1.8
305.11053	3.1
322.18991	2.2
323.06354	11.9
323.10156	26.3
323.15024	1.9
323.18942	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01086	11.8
77.74219	6.0
80.97303	7.7
82.13749	6.7
90.48454	8.8
90.97671	7.1
94.92982	8.8
105.44167	6.5
114.56863	6.2
123.07622	8.5
141.94276	6.9
165.99135	8.5
260.83762	7.0
318.35388	7.4
323.07385	100.0
324.86124	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	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05502	2.1
67.05495	3.8
69.03415	1.2
69.07059	3.1
69.61311	7.7
71.04976	2.5
79.05504	6.4
81.07050	8.6
85.06579	1.8
91.05470	3.7
93.07020	5.0
94.04178	2.7
95.04984	1.7
95.08612	5.1
96.08134	6.9
98.20837	1.6
103.05497	1.9
105.07029	11.4
107.04957	2.6
107.08569	2.9
109.06492	3.2
109.10160	3.6
111.06271	1.2
111.08084	3.8
115.05437	3.8
121.10131	2.8
122.03635	5.4
123.11723	9.1
124.07591	23.5
127.11146	1.9
131.04926	2.0
133.06505	7.5
133.10156	1.9
135.11699	2.3
136.07574	38.5
137.05978	47.5
138.09201	2.2
146.03625	9.4
147.11697	1.4
153.12772	1.7
161.05983	91.5
161.49640	1.3
164.07068	58.6
165.07137	1.3
167.04985	1.3
167.10829	1.4
175.07489	1.7
176.27637	1.5
182.08124	40.1
184.05219	1.8
191.08545	2.8
192.09384	2.4
195.09390	1.2
199.07523	15.8
199.74565	1.5
202.07777	21.5
203.08548	34.3
205.06479	3.1
219.08008	12.8
220.08794	10.8
229.06639	1.8
230.07222	3.8
231.08058	56.7
232.08791	8.5
233.06023	1.9
234.06790	1.8
235.11200	3.2
247.07664	8.0
248.08333	26.5
249.09126	3.2
258.06799	3.8
259.07544	39.2
260.08301	22.2
261.09103	2.1
262.09885	1.8
263.10703	25.5
265.08652	3.8
269.22757	1.3
273.09088	1.7
275.06976	4.4
276.07825	19.3
277.08655	6.3
280.10834	1.7
291.10147	86.7
292.10864	7.0
293.08041	7.5
295.10175	2.1
295.13394	5.8
308.10431	8.4
323.12778	100.0
323.25879	2.3
324.12939	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.82093	0.7
55.01855	1.5
55.05507	1.5
67.05500	1.9
69.07053	2.5
69.34134	3.1
69.34549	2.7
79.05499	4.6
81.07056	5.5
85.02889	0.7
91.05454	3.4
93.07034	3.0
94.04161	1.4
95.04954	1.6
95.08616	3.6
97.79325	0.7
99.08084	2.0
103.05441	2.8
105.07034	12.9
107.04957	1.8
107.08591	1.9
109.06499	3.3
109.10149	2.1
115.05457	3.8
118.04169	1.5
119.08544	1.1
121.10124	2.5
122.03616	2.8
123.04420	0.8
123.11694	0.9
125.09608	1.0
128.06201	1.3
129.06976	1.5
131.04900	1.5
131.08511	0.9
133.06483	6.4
133.10123	1.3
137.05977	29.3
139.05452	1.4
141.07062	0.7
143.06007	1.4
143.08513	1.1
146.03638	5.9
149.05937	1.6
150.80063	0.8
151.07452	0.8
153.07002	1.1
156.05687	1.0
157.10083	1.0
159.08087	1.0
159.11681	1.2
161.05988	74.9
162.06714	0.8
165.06992	1.4
167.04962	1.6
171.08047	1.9
175.07545	1.9
177.05391	0.7
184.05154	1.6
187.07390	0.9
189.07014	2.0
190.07825	1.3
191.08560	4.6
192.09421	3.9
199.05775	1.7
199.07527	15.5
201.06987	0.8
202.07787	23.2
203.08562	33.3
204.09277	2.7
205.06476	3.8
206.07224	1.3
207.07884	0.9
209.09622	1.6
213.07094	1.4
215.08528	3.0
217.06535	0.8
218.07289	1.6
219.08054	11.1
220.08841	10.8
221.09491	1.1
222.07008	0.9
229.06500	1.0
230.07245	4.1
231.08055	52.5
232.08778	7.9
233.05981	2.2
234.06660	1.0
235.11218	2.5
237.09035	1.2
242.07343	1.1
243.08054	1.2
245.09622	2.7
247.07530	9.2
248.08342	25.9
249.09059	3.3
250.06317	1.2
258.06772	4.9
259.07571	41.6
260.08325	26.6
261.08997	2.9
262.09869	1.8
263.10684	22.6
265.08578	3.0
273.09113	1.6
274.09973	1.0
275.07059	5.1
276.07816	19.7
277.08505	6.0
280.10965	1.4
290.09283	1.7
291.10156	100.0
292.10867	7.6
293.08102	5.2
295.13348	3.6
305.11655	0.9
308.10419	5.4
323.12784	72.4
324.13132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06867	0.9
61.32174	1.0
61.52139	0.8
61.62156	0.8
67.05469	0.9
69.07082	1.3
69.40808	5.9
79.05495	4.7
81.05798	3.3
81.07062	5.3
82.72363	0.9
83.08588	0.8
89.46780	1.0
91.05463	1.3
93.07044	1.6
95.08615	1.8
96.08134	10.8
98.21532	1.0
100.97084	0.8
105.07033	1.5
106.06548	2.3
107.04990	1.3
108.08105	1.9
109.10155	1.2
111.08064	2.0
115.59960	1.0
121.10107	1.3
122.06020	1.6
123.11652	2.1
124.07595	37.4
136.07585	61.1
137.05956	1.0
138.09134	2.5
140.07076	1.0
161.05969	2.4
164.07074	100.0
182.08139	71.7
192.10292	1.0
203.08501	1.1
231.07947	2.0
259.07422	1.0
288.12186	1.4
291.10086	2.4
306.13275	2.0
323.12814	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	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55439	1.9
62.10199	2.3
67.05509	3.4
69.03413	2.5
69.36932	4.9
69.37341	12.8
70.06602	17.6
72.08132	7.4
79.05502	2.2
81.13503	2.0
83.79180	2.0
84.04492	4.9
84.08141	14.0
85.02904	2.5
86.09720	14.4
91.05505	4.7
94.06564	6.8
94.56476	2.2
103.05464	2.4
107.04951	3.3
108.08115	17.4
110.06054	4.4
110.07176	2.8
111.73664	2.4
115.08670	2.1
116.07117	4.2
118.06480	3.0
119.04896	3.4
119.07333	4.7
120.08129	15.9
122.06071	3.6
124.07579	14.5
129.10240	9.5
131.08205	2.7
136.07590	100.0
140.40448	2.2
142.08649	9.6
146.06076	5.5
148.07602	5.7
148.11118	2.2
152.07074	3.4
154.08652	5.4
160.07617	3.5
161.05936	4.5
161.07095	3.2
162.05527	25.5
164.07072	41.6
173.10895	2.7
193.05246	2.3
198.07797	2.3
201.10223	5.1
213.10249	5.6
213.13875	3.5
215.11600	2.1
220.15231	2.4
224.10719	3.4
225.10172	3.7
226.11084	9.6
241.09590	5.6
241.13393	23.1
254.10469	3.1
259.07449	3.1
259.14444	27.6
269.12866	37.2
277.15433	5.0
287.13910	41.3
291.10178	4.5
305.14957	64.6
323.12741	6.1
323.16141	4.4
324.10538	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34151	3.7
53.03930	8.7
55.01879	7.3
55.05518	17.4
57.03434	10.8
57.07083	4.6
59.05003	4.7
65.03951	5.2
67.05504	50.4
69.03416	3.1
69.07076	37.5
70.06608	4.3
70.43595	7.8
70.43927	4.2
70.89220	3.5
71.05009	17.4
73.06553	4.5
78.17129	3.4
79.05496	51.0
81.03429	5.6
81.07059	70.9
83.04983	12.6
83.08620	9.0
84.69620	3.5
85.02921	3.8
85.06544	14.9
87.04442	3.5
91.05490	30.4
93.07041	54.0
95.04990	19.4
95.08607	40.2
97.06541	11.6
97.10184	4.4
99.04480	4.8
99.08098	69.5
103.05457	4.5
105.07028	45.2
107.04955	13.9
107.08594	31.6
109.06517	35.8
109.10174	15.7
111.04391	3.7
111.08094	8.0
113.06003	3.7
115.05460	6.6
117.06995	11.8
119.08570	31.2
121.06502	10.0
121.10133	28.4
123.04453	5.4
123.08073	7.4
123.11718	19.9
124.03960	3.8
125.09666	7.6
127.07554	3.7
129.07021	11.1
131.04919	5.2
131.08560	16.5
133.06509	10.9
133.10121	18.3
135.08066	12.4
135.11702	18.2
137.05986	56.8
137.09636	8.8
137.13252	7.2
141.07010	4.5
142.07773	3.3
143.06033	3.1
143.08604	9.4
145.06494	3.7
145.10109	16.9
146.03650	7.7
147.08075	10.0
147.11684	9.9
149.06064	4.3
149.09648	6.7
151.11278	3.8
153.12704	6.3
155.08563	5.3
157.10068	7.3
159.11699	9.0
161.06003	62.6
161.09659	8.0
161.13214	5.4
163.11182	11.9
165.07037	3.6
167.10707	4.2
169.10132	5.6
173.09679	6.2
173.13336	4.4
175.11179	5.1
181.12286	12.5
189.08684	4.2
191.08562	6.4
195.11928	3.2
195.13861	7.2
197.13248	3.7
199.07539	19.4
202.07780	23.5
203.08578	42.1
205.06506	6.9
213.14870	29.2
217.15898	5.4
219.08113	12.4
220.08882	12.0
223.07507	4.6
227.17995	4.0
231.08087	54.1
232.08833	9.8
247.07628	6.9
248.08295	31.1
249.09120	4.9
249.18465	4.1
253.08603	3.4
259.07611	39.3
260.08267	17.7
263.10709	28.3
263.19946	3.9
267.10104	3.8
273.18518	24.6
275.07095	7.1
276.07654	18.0
277.08463	9.7
291.10181	100.0
291.19330	15.9
292.10910	12.4
293.08127	9.2
295.13379	8.9
305.21170	12.6
308.10373	5.8
323.09140	10.8
323.12781	88.0
323.16263	5.6
323.23340	8.0
323.27100	4.3
324.12939	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01859	6.4
55.05513	24.4
57.03442	6.4
57.07071	12.9
59.05000	5.5
67.05506	30.5
69.03423	9.6
69.07069	59.8
71.00082	6.9
71.04996	17.7
71.08635	5.8
79.05494	33.5
81.05769	2.6
81.07059	100.0
83.04958	12.5
83.08629	15.4
85.06551	6.2
91.05486	21.6
92.99911	2.4
93.07050	78.9
94.04196	3.8
95.04967	12.5
95.08614	69.5
96.08150	6.9
97.06538	13.4
97.10168	9.4
103.05413	2.9
105.07035	30.9
107.04953	2.9
107.08610	39.3
109.06526	16.5
109.10149	40.0
111.08080	11.0
111.11713	9.1
114.87247	2.3
115.05437	3.9
117.07029	5.6
119.08582	20.5
121.06495	3.5
121.10152	67.5
122.03646	5.1
123.08066	5.5
123.11706	48.6
124.07588	20.6
125.05981	4.3
125.09606	4.0
128.06192	2.3
131.04964	3.1
131.08562	5.9
133.06490	6.7
133.10139	12.5
135.11705	19.7
136.07576	38.5
137.05997	53.9
137.09596	8.5
137.13228	10.3
139.07507	3.1
139.11180	12.8
145.10110	13.3
146.03621	5.8
147.11659	9.2
149.05914	2.8
149.09613	8.9
149.13268	8.7
151.11165	5.8
153.12798	3.9
155.10643	2.7
159.08119	2.5
159.11752	6.0
161.05983	57.3
161.09624	3.4
163.11191	9.1
163.14784	3.0
164.07080	68.5
167.10687	8.9
171.08086	3.0
175.14796	3.4
181.12239	7.3
182.08128	46.8
184.05121	2.8
191.08554	3.5
199.07570	23.1
201.16335	3.5
202.07721	12.5
203.08586	19.6
203.18129	3.2
207.17424	4.3
213.16458	2.6
219.08054	7.9
220.08809	9.3
229.28156	2.3
231.08067	33.0
231.21373	4.4
232.08820	6.9
235.11275	3.3
247.07529	7.1
248.06157	2.5
248.08371	17.2
259.07544	29.0
260.08295	14.8
260.12677	2.9
261.08987	2.7
263.10690	18.7
269.22867	2.8
276.07831	10.2
277.08563	5.4
287.23700	5.8
291.10153	45.9
292.10895	9.3
293.08206	3.8
295.13315	4.7
305.24673	11.7
308.10492	5.1
323.12762	54.2
323.25928	31.1
324.13028	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75196	3.0
53.03928	4.8
55.01863	5.7
55.05504	14.6
57.03441	2.8
57.07069	6.4
61.71661	3.2
67.05511	33.9
69.03424	8.2
69.07069	47.8
69.34567	26.3
71.04997	23.6
79.05492	32.9
81.06598	5.9
81.07058	100.0
83.04974	4.2
83.08616	7.9
85.06534	9.5
88.82919	3.2
91.05467	15.5
92.34422	2.8
93.07046	52.6
94.07411	3.0
95.04968	10.0
95.08607	75.5
97.06534	16.6
97.10170	7.2
99.08078	4.4
105.07035	37.2
107.04962	4.7
107.08588	47.7
108.19365	2.8
109.06541	14.7
109.10167	34.7
111.08089	44.7
111.11705	7.0
119.08571	22.0
121.10142	41.5
122.03645	4.8
123.08059	4.6
123.11697	31.0
125.09614	9.3
127.11188	13.1
131.04903	3.5
131.08617	3.6
133.10156	16.6
133.86732	2.8
135.11699	22.8
137.06000	20.9
137.09630	11.3
137.13292	4.2
139.11180	14.3
145.10153	13.9
147.11691	14.5
149.09720	5.6
149.13249	15.7
151.11174	19.0
153.12735	8.8
155.10677	7.0
157.10136	5.4
159.11694	9.2
161.06000	23.5
161.13277	9.3
165.12788	6.6
167.10785	4.5
169.12216	7.0
171.11746	3.7
173.13274	4.9
175.14775	7.5
187.14861	4.3
189.16464	9.1
199.07574	12.1
201.16386	9.6
202.07751	6.8
203.08543	17.3
207.17503	3.5
213.16420	4.6
219.08093	6.8
219.17412	9.1
220.08859	8.1
231.08073	13.3
248.08380	8.8
259.07541	17.2
260.08319	7.5
263.10590	6.2
269.22586	3.6
276.07822	6.9
277.08359	3.5
287.23709	8.5
291.10117	28.5
292.10800	6.3
305.24786	7.8
323.09238	5.2
323.12701	31.1
323.15994	5.2
323.25897	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.80692	1.2
54.89018	1.3
55.05309	1.2
55.05514	12.5
55.74163	1.2
57.07082	6.4
58.95767	1.1
59.04987	1.8
65.03931	1.6
67.05510	23.5
69.03403	2.2
69.07070	26.2
69.64348	7.6
71.04993	10.1
71.08626	1.8
76.07194	1.4
77.03890	1.6
77.08859	1.4
79.05495	24.8
81.07059	100.0
81.82764	1.2
83.04984	1.6
83.08619	5.8
84.92564	1.1
85.06543	5.9
91.05486	9.3
93.06487	2.4
93.07044	33.4
95.04981	10.1
95.08610	48.2
97.06540	10.3
97.10158	7.3
99.07004	1.3
99.08091	3.0
100.54220	1.2
101.05927	1.2
105.07035	17.7
107.08594	25.9
109.06504	4.7
109.09481	2.1
109.10165	28.6
111.08088	14.0
111.11742	3.3
115.05461	2.7
119.08582	9.9
121.10144	26.1
122.03717	2.4
123.08117	2.6
123.10825	2.8
123.11713	37.3
125.09653	2.3
127.11184	11.0
131.08575	2.3
133.06519	2.7
133.10114	8.5
135.11707	11.2
137.05972	29.0
137.09618	3.0
137.13248	15.1
139.11198	5.9
141.12755	3.3
143.10725	1.3
145.10150	3.3
146.03650	4.1
147.11700	9.0
149.13277	18.5
151.11185	3.2
153.12770	3.3
155.10611	7.2
157.10085	1.5
157.86180	1.4
159.11650	6.1
161.05986	40.0
161.13252	3.8
163.11276	1.7
163.14763	2.4
165.12825	6.0
167.10680	1.7
167.14261	2.1
169.12268	1.8
171.08057	1.9
173.13307	1.9
175.07516	1.3
175.14859	3.2
177.12769	1.7
177.16345	2.5
189.16367	2.5
191.08633	2.5
191.14313	1.6
191.17987	2.0
199.07561	10.7
201.16394	4.1
202.07782	8.8
203.08560	19.0
206.84412	1.4
207.17564	1.6
213.16357	1.6
219.08180	6.0
219.17363	2.6
220.08784	6.1
231.08061	24.1
232.08842	4.1
235.11139	1.9
245.09634	1.5
247.07620	4.5
248.08307	10.7
249.09019	1.2
258.06799	3.7
259.07489	14.2
259.24280	2.6
260.08282	10.3
261.09021	1.5
263.10669	13.3
265.08640	1.5
276.07813	8.3
277.08557	3.0
287.23730	4.2
291.10162	39.2
292.10818	4.7
293.08151	2.9
293.24667	1.9
305.24695	11.3
308.10394	4.6
323.12805	40.9
323.25729	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.1
55.05513	16.6
57.07063	9.3
59.04991	4.3
62.63714	2.8
64.47902	3.2
65.03957	3.1
65.93959	2.7
67.05508	22.1
69.07075	28.0
70.51157	9.8
71.05003	26.0
79.05499	22.5
81.07063	91.3
83.08623	7.0
85.06559	6.4
91.05501	17.1
93.07056	35.6
93.72972	2.9
95.04962	15.2
95.08614	68.4
96.08124	6.7
97.06525	11.8
97.87682	3.0
98.60505	3.3
99.08101	5.0
100.84348	3.0
105.07037	30.0
107.04913	4.6
107.08624	28.0
109.06519	16.3
109.10170	35.3
111.08093	45.1
115.05486	7.1
117.07002	5.4
119.08568	15.1
121.10133	22.6
122.03599	10.3
122.06037	13.2
123.04400	3.4
123.08131	3.3
123.11716	45.6
124.07605	26.5
124.15897	3.3
125.09638	4.6
127.11214	17.3
128.06229	6.3
131.08528	4.0
133.06516	6.4
133.10097	7.3
135.11708	18.7
136.07591	49.2
137.05998	100.0
137.09604	3.9
137.13275	20.8
138.09138	5.1
139.11217	10.3
141.06863	3.5
145.10156	9.7
146.03642	9.8
147.11667	15.6
149.13220	9.3
150.05504	10.8
151.11177	8.7
153.12738	12.2
155.10663	6.7
157.10165	4.0
159.11693	12.1
161.05991	67.4
161.13237	7.2
163.14972	3.6
164.07083	88.6
165.12762	8.5
173.13268	4.6
175.14854	4.1
181.49388	3.2
182.08153	59.5
184.05280	3.9
187.14859	4.6
189.06895	3.9
191.08521	4.1
192.09383	5.1
199.07568	36.6
201.16362	11.4
202.07794	19.5
203.08562	35.7
203.18163	3.0
215.08665	3.5
219.08034	9.3
219.17490	3.9
220.08821	10.4
229.60266	3.9
230.07295	4.8
231.08058	40.9
232.08638	8.8
247.07568	8.0
248.08398	21.8
249.09180	4.6
259.07565	32.0
260.08356	19.6
263.10666	26.5
276.07886	13.5
277.08594	9.6
287.23779	7.2
288.12094	4.7
291.10178	67.5
292.10913	11.8
293.08066	6.0
295.13461	6.0
305.24719	21.7
308.10349	4.9
323.09998	2.5
323.12759	67.2
323.16293	5.2
323.25723	9.8
324.12964	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	324.1078
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.03944	0.2
56.96544	0.3
57.03424	0.3
60.04515	1.0
61.02910	0.6
69.03437	1.1
69.29819	0.5
69.30234	1.1
70.02933	0.3
70.06599	1.3
71.96674	0.2
72.08152	0.5
74.06074	0.6
79.05498	0.4
81.03416	0.4
84.04495	0.3
84.08125	0.5
85.02922	2.1
86.06048	0.3
86.09712	1.0
87.05590	0.4
97.02898	0.8
103.05503	0.2
106.06564	0.7
107.04969	0.6
109.02893	0.3
110.07162	0.8
116.04977	1.7
116.07104	0.4
120.08109	4.1
121.08414	0.3
124.07571	0.2
127.03925	0.3
127.07490	0.2
129.10271	0.4
130.04974	0.2
131.08174	1.6
134.05983	0.3
136.07576	0.9
137.05914	0.2
137.07925	0.9
142.08611	0.2
144.04411	0.2
145.05013	0.4
159.07675	1.2
162.05508	100.0
162.46005	0.2
163.03926	0.6
163.05824	0.9
164.07097	0.4
165.07437	0.5
166.08661	1.5
181.11037	0.2
207.11256	0.5
235.10905	0.2
242.13754	0.4
260.14737	0.6
270.13144	0.8
287.05527	0.4
288.14301	0.9
306.15442	1.1
324.10532	4.9
324.13986	0.2
325.13617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53243	0.7
54.47012	0.7
56.96567	43.2
56.96849	2.1
60.53268	0.7
68.96549	0.9
69.03431	2.1
69.68906	0.8
70.06593	1.2
71.01906	2.0
71.95258	2.8
84.96041	14.8
85.02934	1.9
90.27603	0.8
97.02887	1.9
98.97591	100.0
102.87419	0.8
107.04966	9.4
110.97577	70.3
112.99129	7.7
116.98626	21.0
118.06573	1.1
124.99109	4.0
126.97046	1.8
128.26132	0.8
128.98611	36.2
131.00189	4.3
134.99701	2.3
140.00185	1.0
140.98602	6.3
143.00179	10.5
144.98090	2.3
145.07611	18.5
146.99670	8.5
152.98622	11.4
155.00153	1.3
158.99681	10.4
161.01250	5.6
162.99356	1.1
163.00636	4.8
163.08685	11.0
170.98225	0.9
170.99667	13.9
177.00677	6.2
181.01672	5.1
182.99637	1.6
189.00713	5.1
191.00195	1.1
199.02858	1.6
201.00705	13.6
205.01747	1.5
209.01236	1.2
217.01782	1.0
218.06262	1.0
219.01775	88.0
223.02753	1.8
235.02760	2.7
237.02827	84.0
242.03325	1.2
255.03920	2.8
259.02658	0.9
265.03751	1.4
269.82928	0.9
277.03769	1.8
287.05649	1.3
287.35101	1.0
307.04849	11.5
310.05338	1.3
325.05939	32.1
325.13959	13.4
343.07016	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	325.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	24.1
70.14221	100.0
70.14555	22.9
75.06019	23.4
81.03450	23.3
85.02912	39.9
124.13139	20.2
145.07616	61.9
163.08740	47.1
195.02193	25.3
248.13661	24.5
325.13931	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01870	1.7
57.03437	3.0
59.05017	0.7
61.02923	1.4
69.03432	15.9
69.14231	5.7
69.14558	0.7
70.06596	0.6
71.01350	1.8
71.04993	5.2
74.62663	0.5
81.03423	16.4
84.08172	0.6
85.02891	0.6
89.86573	0.5
91.05499	1.1
94.22746	0.5
99.04458	6.1
113.51750	0.4
115.05242	0.5
117.05547	2.5
118.06561	6.9
137.05959	0.9
145.07616	7.0
147.09174	7.9
161.09618	0.7
162.07867	1.5
163.03864	0.9
163.08694	1.4
173.07120	12.2
175.08694	5.5
175.11215	1.6
191.08165	100.0
193.12247	1.1
203.08304	0.6
205.09770	0.9
233.09190	1.4
289.11795	1.3
307.12885	34.5
325.10196	1.0
325.13919	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	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03952	0.6
55.01868	1.0
56.05026	0.5
56.96306	0.8
56.96569	11.3
57.03444	2.1
58.31851	0.4
59.41436	0.4
61.02929	3.1
69.03438	8.0
69.52035	0.4
70.06579	1.2
70.92472	0.4
71.05001	0.7
71.47898	0.5
71.95284	0.5
72.08160	0.5
73.02927	2.7
74.06092	0.5
77.65188	0.4
79.05500	0.5
81.03426	3.0
84.04504	0.8
84.08163	2.5
84.96034	4.4
85.02912	15.5
86.09720	0.6
87.04462	1.3
89.26631	0.4
91.03941	0.8
91.05467	1.6
96.02433	0.7
97.02902	8.7
98.97591	23.7
99.04450	1.3
101.00903	2.0
101.98685	0.4
102.96983	0.4
107.04966	11.7
108.05329	0.9
109.02901	2.2
109.53278	0.5
110.07186	1.0
110.96843	0.9
110.97582	13.4
110.98352	0.8
112.99160	1.8
113.00909	1.1
116.98621	5.6
117.02926	0.6
117.05692	0.7
118.06560	4.1
119.01925	0.9
121.02863	1.3
123.04481	0.5
124.99109	1.5
127.00656	0.5
127.03942	4.0
128.98618	8.5
129.10233	0.8
131.00174	0.7
131.01938	0.6
133.07597	4.4
134.99658	1.3
136.06149	1.2
137.05989	1.1
140.98607	0.5
142.01100	0.5
143.00172	2.3
143.01923	2.4
144.98076	1.4
145.05051	2.6
145.07617	100.0
146.08401	2.2
146.99664	2.3
147.04414	0.7
147.09175	0.5
149.05975	1.4
152.98615	2.0
155.01886	1.4
155.04669	0.7
157.03426	0.6
158.99707	3.2
160.02213	0.5
161.01263	1.4
161.02988	1.1
162.05484	3.5
162.99202	1.0
163.00659	0.9
163.05931	4.6
163.08679	61.5
164.09105	0.6
166.01103	0.7
168.85272	0.5
170.99640	2.8
173.02962	1.5
175.01508	0.8
177.00723	2.3
181.01707	0.5
182.99625	0.6
184.04657	0.5
185.02983	0.8
185.05583	0.7
187.07594	0.7
189.00700	2.1
193.00148	0.8
199.02756	0.7
201.00713	3.0
203.04030	0.6
207.05052	0.6
219.01781	15.4
219.04984	0.7
223.01251	1.3
227.06900	0.5
235.02808	0.9
235.06400	5.7
235.56476	0.8
237.02837	16.1
243.05299	0.9
243.55368	0.6
244.03146	1.6
244.07111	2.0
245.05136	0.8
249.06206	2.2
253.03696	7.6
253.06479	0.6
253.53809	1.0
257.04581	0.5
262.04260	1.2
267.07150	2.1
279.07111	0.8
287.02258	0.9
287.05493	15.1
288.05859	1.1
307.04953	1.6
309.08295	0.8
325.00214	1.1
325.06033	6.0
325.13965	70.3
326.14145	0.8
343.01233	3.8
343.07129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Glabridin
Peak:m/z	Relative Intensity
52.85368	0.9
55.01859	2.4
57.03429	1.7
69.03418	1.4
69.90644	2.0
69.91058	3.3
70.06593	2.8
71.01289	0.9
73.02912	1.1
77.61500	0.9
79.05492	2.0
81.03381	1.5
81.07037	2.0
84.08170	1.2
85.02897	3.6
86.09696	2.0
90.04903	1.0
91.05487	9.8
93.07014	1.7
94.04200	2.6
95.04916	1.1
95.08603	1.1
97.02895	1.0
103.03919	1.0
103.05478	7.9
105.07017	3.4
107.04955	5.4
107.08602	2.4
109.06506	2.7
109.10168	1.7
115.05455	10.1
117.07030	9.9
119.08592	7.7
121.06474	2.4
121.10165	1.2
122.03664	6.9
128.06216	3.0
129.07008	10.6
131.04939	12.3
132.05724	5.9
133.04973	1.3
133.10101	2.0
135.04375	1.5
137.05981	92.9
141.06990	16.6
145.06502	3.9
146.03601	1.6
147.08041	28.6
149.09660	1.2
151.07553	2.2
157.06508	2.9
158.07289	1.3
158.97916	0.9
159.08038	1.9
160.05212	4.6
161.05998	6.7
163.03929	2.4
163.07552	13.5
169.06487	24.7
173.13214	1.9
175.07549	100.0
175.14867	4.7
185.13290	1.0
186.06808	2.7
187.07535	2.7
189.09100	12.9
190.07817	2.4
191.08492	1.3
201.09125	12.4
205.10106	3.0
215.08569	2.2
218.07315	2.5
233.09570	5.8
234.45370	1.0
261.09003	3.5
265.08679	1.7
265.12180	3.0
278.09381	1.3
279.10223	1.5
293.11618	5.6
307.09680	1.4
307.19193	2.1
325.11234	2.4
325.14331	65.7
325.20224	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03951	27.1
55.01869	17.9
55.05512	55.8
57.03447	19.9
57.07066	4.0
59.04989	3.9
65.03937	5.1
67.05505	91.5
69.03427	6.3
69.07072	24.7
71.04997	40.5
73.02895	6.5
79.05489	59.8
81.03423	58.6
81.07055	89.1
83.04981	100.0
83.08602	13.1
85.02921	4.7
85.06545	7.6
91.05486	63.9
93.07048	77.4
95.04965	27.7
95.08603	58.9
97.06528	31.4
97.10183	4.0
99.04447	10.2
101.06020	4.7
105.07028	52.9
107.04952	57.8
107.08599	41.4
109.02890	4.1
109.06513	23.0
109.10175	20.1
111.04443	7.7
111.08125	8.7
113.05993	4.4
115.05490	5.0
117.07034	20.5
119.04958	9.9
119.08585	30.9
121.06501	20.3
121.10121	19.7
123.04421	16.2
123.08064	22.1
123.11677	10.2
125.05990	14.1
128.06247	7.2
129.06976	9.3
131.04868	4.0
131.08583	25.6
131.13162	3.9
133.06519	10.6
133.10143	22.0
135.04434	4.4
135.08049	14.6
135.11700	15.2
137.05983	16.2
137.09679	4.5
141.06995	10.5
143.08540	11.0
145.06487	14.0
145.10107	23.1
146.34070	5.1
147.08049	15.1
147.11676	11.6
149.09666	8.1
149.13251	5.3
151.07518	7.6
151.11153	4.8
153.06967	4.1
155.08540	9.9
157.10150	10.0
159.08067	13.3
159.11682	22.1
161.09615	8.4
161.13261	8.3
163.07545	15.6
163.11171	18.2
165.53902	3.6
169.10115	14.1
171.11633	11.3
171.62538	4.2
173.09602	11.2
173.13284	7.2
177.09116	8.8
177.12732	11.6
183.11693	7.3
185.09610	6.4
187.11203	14.2
189.09038	3.9
189.12811	9.0
191.14340	9.0
193.10112	3.8
197.13121	4.9
205.12170	5.2
205.15955	5.0
207.11809	3.9
207.13753	12.9
217.12189	4.9
219.13861	6.1
219.79236	3.9
233.15359	21.8
237.14915	14.4
239.07094	8.1
243.17360	9.3
249.45035	4.2
261.18564	24.6
271.16925	20.5
279.67618	3.8
281.11728	10.3
289.17963	92.7
293.11499	3.8
307.13165	6.0
307.18872	26.9
325.10730	8.4
325.14233	17.2
325.21167	15.5
325.25055	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03958	19.7
55.01865	8.6
55.05514	41.7
55.24686	2.0
56.45597	2.1
57.03432	12.2
59.04985	4.2
65.03947	5.3
67.05508	61.9
69.03432	6.1
69.07075	18.3
70.60110	2.3
71.05000	37.8
71.21494	4.3
73.02878	2.9
79.05497	64.6
81.03422	41.7
81.07062	100.0
83.04984	33.4
83.08622	10.2
85.06527	5.1
91.05491	42.0
93.07053	53.3
93.80480	2.2
95.04978	24.2
95.08614	54.3
95.66531	2.2
97.06538	17.0
97.10130	3.7
99.08096	3.2
103.05454	5.2
105.07040	34.8
107.04962	55.6
107.08591	22.8
109.06525	46.5
109.10143	13.4
111.04429	4.7
111.08067	7.7
115.05465	2.8
117.07021	15.8
119.04916	5.3
119.08592	23.9
121.06512	17.1
121.07243	2.7
121.10154	23.5
123.04432	24.0
123.08076	20.0
123.11660	2.7
125.05962	2.9
128.06224	3.2
129.06990	9.7
131.04883	3.4
131.08601	20.3
133.06470	8.8
133.10115	17.8
135.04521	3.7
135.08058	7.2
135.11658	11.0
137.05991	9.6
137.09604	6.7
139.11176	2.7
141.07008	6.4
143.08566	8.0
145.06480	12.2
145.10136	12.6
147.08018	8.3
147.11700	9.3
149.09631	7.4
149.13225	4.7
151.07559	5.7
153.09004	2.4
155.08580	4.5
157.10124	7.0
159.08035	10.8
159.11732	13.8
161.09662	10.8
161.13260	7.1
163.07515	5.6
163.11179	4.0
169.10097	9.5
171.08049	3.1
171.11679	8.4
173.09627	9.2
173.13284	5.6
175.11223	2.8
177.12741	6.8
177.20193	2.2
179.14255	2.7
181.06477	4.1
183.10115	6.5
183.11691	5.5
185.09619	2.6
187.11201	9.4
189.12830	3.5
191.14308	4.7
195.13791	2.9
197.09581	2.5
201.12756	4.1
202.07669	2.4
203.14232	3.3
205.12212	4.0
207.13817	17.0
209.06009	2.9
215.14372	2.5
215.17807	3.3
219.13876	6.1
223.13280	2.6
233.11801	3.5
233.15373	3.7
235.13245	3.3
237.14877	9.9
239.07016	7.0
243.17467	5.0
249.14810	4.0
253.15942	3.9
261.18521	15.5
265.08527	3.2
271.16873	19.4
281.11636	7.4
283.13327	4.4
289.17981	59.2
293.11548	3.5
307.19037	8.9
325.10965	4.0
325.14380	15.7
325.20035	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.3
55.01876	38.2
55.05514	39.7
57.03436	36.4
59.93028	4.7
62.99215	4.0
67.05506	81.3
69.07051	21.9
70.09818	19.0
79.05492	74.4
79.05921	8.9
81.03425	22.5
81.07051	97.2
82.67197	4.9
83.04980	36.2
83.08605	8.1
85.06545	5.5
91.05479	81.5
92.80191	5.1
93.07049	61.7
95.04971	73.9
95.08602	48.0
97.02897	7.7
97.06531	8.0
97.10154	18.1
98.07312	6.8
103.05451	6.3
105.07025	61.3
107.04958	100.0
107.08556	26.9
107.64317	4.5
108.05716	7.6
109.06511	45.0
109.10145	25.8
110.07246	5.7
111.04433	7.6
112.05240	7.4
115.05479	7.0
117.06306	5.6
117.07030	39.2
119.04944	8.3
119.08583	40.4
120.05746	4.5
121.06498	25.7
121.10133	20.7
122.07288	30.6
123.04408	10.6
123.08035	13.5
124.68739	5.7
128.06201	16.8
129.06981	17.6
131.04964	6.1
131.08586	38.2
133.06502	27.3
133.10135	23.2
135.08055	19.9
135.11667	9.3
137.05962	9.8
137.09604	32.5
141.06985	6.8
143.08540	12.5
145.06474	21.7
145.10117	25.6
147.08078	44.7
147.11681	6.8
149.09697	6.5
151.07549	6.8
159.11673	16.8
161.09601	27.1
161.13234	7.1
162.75153	4.6
163.11156	13.4
165.09175	9.0
169.10036	5.9
171.11653	10.9
173.13324	9.0
175.11192	7.6
177.12762	6.4
187.14825	10.2
189.12785	8.7
197.13255	9.3
205.15883	15.0
215.14326	13.4
217.16061	7.2
233.15366	73.9
251.16420	15.5
263.10999	5.4
268.89117	5.9
271.80209	4.9
273.18469	10.0
290.18689	11.0
325.14261	16.4
337.39566	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03948	4.5
55.01859	3.4
55.05275	2.0
55.05518	31.7
57.03440	7.8
57.07083	15.8
59.04995	5.4
67.05509	29.8
69.03419	6.4
69.07072	82.0
70.93034	2.0
70.93367	2.6
71.05006	8.5
71.08617	4.1
76.03270	1.2
79.05500	20.5
81.03391	2.6
81.07059	76.1
83.04984	3.9
83.08154	2.6
83.08627	36.7
85.02897	3.0
85.06548	7.6
85.10187	1.7
87.04466	1.8
87.08156	1.4
91.05490	18.1
93.07050	100.0
95.04977	11.0
95.08614	73.5
97.06536	15.9
97.10188	13.9
99.08096	4.7
105.07028	15.1
107.04956	4.5
107.08605	31.2
109.02841	1.4
109.06516	13.7
109.10164	51.5
111.08087	58.1
111.11721	4.9
115.05482	1.4
115.07590	1.4
117.06989	2.5
119.08587	13.2
121.06526	6.4
121.10152	52.4
123.08068	6.8
123.11707	29.2
125.09642	15.0
125.13291	2.4
127.07629	2.2
127.11217	1.7
129.09096	1.9
131.08606	6.5
133.10115	6.8
135.11687	12.5
137.05936	3.2
137.09625	3.0
137.13242	6.0
137.42191	1.1
139.11197	16.9
143.08412	1.4
145.10146	6.1
147.11678	5.1
149.09605	5.5
149.13263	16.4
151.03967	1.4
151.11140	2.2
151.14799	3.2
153.95403	1.6
159.11668	8.8
161.13266	6.5
163.07552	1.8
163.11208	4.1
163.14821	5.3
165.12750	3.1
165.16354	2.5
167.10681	6.0
167.14326	5.6
173.13243	3.2
175.14760	4.0
177.12781	3.4
177.16393	3.6
179.17838	2.5
181.12257	2.0
189.16475	2.6
195.13815	3.9
197.19023	4.4
203.17957	1.6
205.12268	1.4
209.19040	13.4
215.17998	2.7
217.19545	4.1
219.21024	1.8
235.20552	5.6
265.08603	1.6
271.24240	6.2
276.40433	1.4
277.25183	3.4
289.25217	6.8
295.26379	9.4
307.26300	13.7
325.10626	4.2
325.14307	2.2
325.21652	2.3
325.27448	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03946	6.1
55.01867	4.6
55.05513	29.8
57.03430	5.5
57.07081	17.1
59.04990	6.7
67.05508	30.0
69.03429	8.0
69.07069	77.0
70.66915	1.6
70.86915	4.0
71.05000	10.9
71.05334	2.0
71.08622	6.0
79.05490	18.5
81.07055	84.6
83.05000	3.9
83.08622	33.9
85.06528	7.3
85.10195	3.1
87.04440	2.6
91.05476	18.6
93.07045	100.0
95.04963	14.1
95.08604	78.4
96.94865	1.9
97.06538	13.4
97.10181	15.7
99.08092	4.4
105.04560	2.8
105.07027	17.0
107.04969	4.3
107.08611	29.1
108.86829	1.9
109.06513	13.3
109.10159	41.1
111.08083	60.0
111.11717	5.2
113.05982	2.2
117.69804	1.8
119.08578	12.4
121.10147	48.3
123.08059	7.1
123.11702	26.3
125.09605	12.4
131.08549	4.3
133.10138	8.1
135.11725	10.0
137.05995	2.3
137.09703	4.5
137.13234	5.8
139.11192	16.0
145.10120	5.4
147.11667	6.5
149.09631	7.0
149.13278	16.8
151.11119	2.4
151.14812	3.8
159.11690	6.0
161.13284	5.9
161.66267	2.1
163.11229	4.6
163.14755	3.7
165.12784	3.3
165.16301	3.0
167.10712	6.9
167.14313	6.0
173.13246	2.0
175.14822	3.7
177.12718	4.1
177.16383	3.8
179.14365	2.0
179.17958	5.5
191.17941	2.4
195.13838	3.5
195.17426	2.5
197.19109	2.2
209.19005	15.1
217.19463	4.1
235.20589	4.6
271.24298	4.5
279.10269	3.0
289.25244	3.5
295.26318	7.8
307.26273	13.6
325.27426	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03930	2.2
53.05722	2.4
54.02724	2.1
55.01862	8.2
55.05511	18.2
57.07067	9.9
59.04979	2.9
67.05502	33.4
69.03426	7.5
69.07065	34.0
69.26921	20.8
69.27214	2.4
70.25191	2.0
71.04996	15.4
71.08627	2.3
71.46685	2.2
79.05484	13.0
79.80939	2.2
81.07053	100.0
83.08596	11.5
85.02909	16.1
85.06568	14.4
87.04391	2.1
91.05479	8.8
93.07047	31.9
95.08605	96.5
97.06514	6.6
97.10146	2.9
99.04400	2.4
99.08086	7.1
105.07042	12.4
107.04974	4.7
107.08602	24.1
107.14687	2.4
109.10155	38.8
110.07159	4.7
111.07391	4.1
111.08086	58.9
113.09649	2.4
118.09058	2.3
119.08585	8.3
121.10146	19.1
123.08004	2.5
123.11709	55.5
125.09636	4.2
127.03935	2.7
127.05223	2.4
127.07506	2.5
127.11186	10.5
131.04865	2.6
131.08604	4.1
133.10133	6.8
135.11693	15.0
137.05983	8.5
137.13258	33.8
139.11186	6.8
145.04982	3.1
145.10112	3.0
147.11681	8.2
149.13277	21.7
151.11118	4.0
153.12772	6.6
157.07951	2.6
159.11716	4.6
161.13312	2.8
163.07582	5.1
163.14772	4.2
165.12764	6.1
167.14389	2.5
175.07495	3.1
177.16438	3.7
191.18008	2.7
201.16365	3.2
203.17982	5.4
271.24246	3.6
277.25262	2.6
289.25162	9.0
307.26300	18.3
325.10712	4.1
325.14368	6.1
325.19232	3.4
325.27469	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	326.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90527	2.0
53.03944	2.6
55.01866	3.7
57.03425	6.4
59.23201	2.0
61.02923	5.6
69.03436	37.6
69.71007	11.0
70.00546	2.1
70.06595	32.4
73.02903	4.3
81.03422	17.8
84.08130	2.4
85.02911	98.6
86.09691	6.8
87.00836	51.8
88.78368	1.9
97.02889	28.7
98.21539	3.4
98.98473	100.0
99.04464	11.7
105.01876	80.8
105.02583	2.9
108.04473	2.7
109.02897	26.5
110.07156	4.1
115.03896	2.1
116.07087	3.2
117.01842	2.4
120.08123	2.7
126.05526	2.3
127.03928	65.3
129.09071	2.0
145.04962	29.2
147.02913	2.6
157.91638	2.4
159.02946	9.9
163.03902	4.0
164.04253	3.8
164.07089	5.0
174.99254	14.4
183.14926	4.4
189.03905	3.1
211.14413	4.4
213.12390	15.2
213.52516	2.0
227.74188	2.2
231.05051	19.2
249.06059	8.1
288.06021	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	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05493	2.0
64.62183	1.5
67.05505	15.1
69.07056	5.3
70.37189	2.5
70.37539	3.7
79.05489	5.2
80.11928	1.4
81.07060	14.1
83.04987	2.5
91.05469	9.0
93.07037	6.5
95.04935	1.7
95.08619	3.4
98.21394	2.1
98.98470	100.0
99.04467	1.9
105.07035	10.8
107.08595	11.7
109.06478	1.5
109.10155	18.7
119.08582	2.4
123.11696	2.2
131.08556	2.1
133.10129	20.7
145.10004	1.8
149.09660	1.8
151.11206	15.0
169.12212	4.8
170.84633	1.4
174.99260	10.6
193.04944	2.5
291.19635	2.5
325.76346	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93842	0.6
53.03951	0.8
55.01863	0.6
70.06588	0.8
72.08166	0.7
77.03922	0.9
79.05493	1.9
81.03426	1.0
86.09691	2.4
91.05479	0.7
95.04957	1.4
98.21554	1.5
98.98470	63.5
103.05427	3.1
105.07041	1.5
107.04959	100.0
115.05493	0.7
116.99483	1.0
117.07023	0.7
121.06426	0.8
122.03674	1.2
123.04456	1.5
130.06531	30.5
131.04924	3.5
131.44647	0.6
132.04469	10.3
133.06512	5.6
134.06061	1.4
135.08049	1.6
137.05991	14.6
145.06548	0.9
146.05995	1.3
148.07564	2.6
151.07564	2.0
157.07616	18.6
157.08914	1.3
158.06023	25.4
159.09245	0.7
163.07545	7.3
174.99258	7.0
175.08685	38.9
185.07077	1.1
186.05515	1.8
187.08702	1.1
188.07036	1.2
200.14064	0.7
203.08154	35.1
204.06602	2.8
221.09218	36.5
251.00018	1.1
281.12750	1.6
295.09686	0.8
295.13284	1.8
309.12125	1.3
310.10568	1.1
327.13251	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	327.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
51.98098	0.6
53.03946	1.5
53.24539	0.5
70.06579	2.5
71.03674	1.5
72.08168	1.3
77.03931	0.8
79.05497	1.2
84.08160	1.1
86.09717	1.7
89.06030	2.2
91.05495	0.7
93.07144	0.5
94.06557	1.7
95.04965	1.0
97.37715	0.5
98.98473	77.0
103.05486	0.7
105.04574	0.5
107.04961	100.0
110.06018	0.7
110.76690	0.5
116.07096	0.8
116.99512	1.4
120.08131	1.4
121.06454	0.6
121.10116	0.6
128.00880	0.6
129.10274	0.9
130.06534	33.6
132.04469	13.0
133.06519	0.9
133.08617	1.1
137.06001	2.5
148.07597	2.2
149.09239	0.6
157.07623	32.3
158.06026	32.3
159.09190	2.1
163.07567	1.1
174.99240	9.5
175.08682	48.2
181.22194	0.7
182.05060	1.1
185.07123	1.2
186.05603	1.5
203.08168	55.9
204.06635	2.8
204.08485	1.1
208.02919	1.3
221.09227	35.0
233.96721	0.7
251.00095	0.9
309.12195	1.1
327.08386	0.7
327.13306	1.1
349.71085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03948	0.6
55.01873	1.5
55.05505	0.9
61.72127	0.3
65.03937	0.4
66.04751	0.5
66.37260	0.3
67.05506	1.0
67.48645	0.3
69.03442	0.4
69.07068	1.0
77.01637	0.4
77.03946	0.8
79.05489	3.7
80.97386	0.3
81.03407	0.3
81.07061	2.8
83.08650	0.4
91.05486	5.4
93.07055	1.3
94.04181	2.7
95.04967	1.2
95.08609	1.1
97.10185	0.7
98.98470	74.3
103.05470	22.9
105.07038	11.8
107.04958	4.1
107.08611	0.7
108.05797	0.3
109.06534	2.9
109.10158	0.9
111.08092	0.3
115.05453	1.9
115.64008	0.3
116.99527	0.7
117.07037	2.1
119.04937	1.4
119.08543	0.7
120.05746	0.5
121.06511	6.4
121.10170	0.3
122.03658	7.9
123.04441	0.9
123.08076	1.3
125.09667	0.7
128.06230	1.3
129.07011	1.2
131.04936	24.0
131.08533	0.5
132.05769	0.5
133.06500	36.4
135.08063	12.1
136.05180	1.0
137.05983	100.0
138.06316	1.0
143.04942	1.6
143.08615	0.7
144.05750	0.7
145.05415	0.5
145.06493	7.1
147.04466	0.4
147.08099	2.5
149.06020	1.9
149.13202	0.3
151.07556	13.2
153.06952	0.3
155.06067	0.6
157.06488	3.4
159.08061	0.5
160.05215	0.6
161.06001	0.9
162.06760	1.2
163.07550	56.4
164.07910	0.5
165.09145	0.7
169.38370	0.3
171.08026	1.9
174.06790	0.6
174.99236	6.6
175.07545	3.4
177.09074	1.6
179.08601	0.4
185.09431	0.3
187.07501	1.6
188.08456	0.5
189.09111	2.0
189.11113	0.7
189.12724	0.3
191.08578	0.3
191.10716	0.4
195.07994	0.5
197.95178	0.3
200.14276	0.7
201.14716	1.0
202.07765	0.7
202.19170	0.3
203.10699	2.2
207.08087	0.8
207.11789	0.6
217.10060	0.4
220.08878	0.9
221.09683	0.5
235.07620	0.5
235.11237	2.5
245.09639	1.8
247.24680	0.8
248.08376	0.6
249.08931	0.4
250.99995	1.1
263.10690	4.2
267.13678	0.4
291.19531	0.6
295.13293	9.7
309.20288	0.3
312.13501	0.5
325.14285	0.5
327.12503	0.4
327.15921	8.3
327.19601	0.5
327.24866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.66732	0.4
53.03939	0.6
54.84909	0.4
55.01868	0.7
55.05505	4.2
59.04980	0.6
67.05505	4.1
69.03424	1.0
69.07074	2.6
71.15118	0.4
79.05497	2.1
81.03415	0.5
81.07045	4.2
83.04984	1.3
83.08621	3.3
85.06540	0.6
91.05488	1.9
93.07030	3.7
95.04958	2.6
95.08615	4.6
97.06543	0.6
97.10168	4.8
98.98470	100.0
103.05434	0.7
105.07045	2.3
107.04958	1.1
107.08624	3.3
109.06538	1.0
109.10175	1.1
111.08085	0.5
111.37881	0.5
116.10770	0.6
116.99487	1.0
117.07001	0.7
119.08607	1.5
121.06549	0.7
121.10159	1.3
123.08069	7.2
123.11708	1.6
125.09657	3.6
129.07045	0.5
131.04926	0.9
131.08592	0.7
133.06476	1.4
133.10146	1.2
135.08075	0.8
137.06001	3.6
137.09621	0.9
139.11276	0.5
140.01086	0.5
143.08643	0.5
145.10123	1.0
147.08083	0.7
147.11694	0.8
151.03848	0.5
151.07587	1.2
157.10168	0.6
163.07578	1.3
163.50386	0.4
165.09099	1.2
169.12271	0.9
171.10214	0.7
174.99232	12.1
175.00687	0.7
187.13316	1.1
189.11267	2.3
200.14430	1.9
201.14615	2.3
211.13275	0.5
227.75574	0.5
251.00101	1.5
255.17577	0.6
273.18588	1.8
291.19574	3.2
309.20657	1.3
327.12579	0.7
327.25296	1.4
328.25092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.9
57.07075	5.1
65.03947	1.1
65.09292	1.0
67.05505	12.8
68.63545	1.0
69.03419	1.1
69.07069	23.2
69.36856	7.3
71.04978	1.8
71.08613	3.4
73.06523	1.1
79.05492	12.6
81.07059	57.9
81.26962	0.9
82.07449	0.9
83.04978	1.0
83.08611	6.8
84.08134	2.4
85.06541	7.2
86.41665	1.0
91.05468	4.5
93.07042	18.8
95.04984	1.1
95.08607	37.2
95.54821	0.9
97.06521	2.8
97.10159	4.2
98.98468	100.0
99.08061	5.2
103.05438	2.7
105.07019	5.2
107.04961	2.1
107.08601	17.8
109.06487	1.5
109.10164	23.4
111.08075	6.8
111.11707	3.5
115.05512	1.0
119.04979	1.1
119.08551	3.9
121.06524	1.2
121.10156	10.4
121.38695	1.0
122.03641	1.8
123.11708	26.5
125.09652	1.3
131.04958	3.0
133.06491	6.0
133.10085	2.7
135.08113	1.6
135.11679	10.4
137.05983	16.2
137.13252	10.7
139.11226	1.5
143.08603	1.0
145.06497	1.6
147.11664	2.3
149.13283	10.6
151.03900	3.2
151.07562	2.1
151.14828	1.5
153.12747	5.0
161.13258	2.1
163.07558	6.0
163.14880	5.0
165.20056	0.9
167.14301	2.3
173.29013	0.9
174.99237	11.0
175.07596	1.7
177.16357	3.6
179.17995	1.2
191.17957	1.5
195.08089	1.1
249.09117	1.6
250.99945	1.4
265.08481	1.2
273.25574	1.6
277.08591	2.8
291.26746	2.9
295.09653	2.4
295.13162	2.3
299.12784	2.1
327.08582	1.9
327.12189	6.0
327.16010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69672	0.3
53.03946	0.8
55.01879	1.0
57.03431	2.0
57.28348	0.3
61.02929	4.5
65.39166	0.4
68.31782	0.3
68.98072	0.3
69.03430	9.7
69.82070	0.4
70.06600	1.2
70.62981	0.8
70.63316	0.4
71.04997	1.2
72.08146	0.5
73.02930	1.4
81.03428	3.4
83.01356	0.7
85.02908	26.0
86.09726	1.6
87.04473	1.4
90.75096	0.4
91.03980	1.5
97.02897	8.8
98.98470	9.3
99.04468	1.6
104.05009	0.9
109.02870	2.2
121.01180	0.4
127.03906	3.8
128.72406	0.4
145.04987	4.7
148.02161	84.9
149.02502	0.4
166.03227	100.0
167.03506	1.0
174.99194	0.6
328.08646	2.0
328.12143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01869	0.8
55.05509	1.4
55.84275	0.5
55.85499	0.5
57.03437	1.8
61.02919	2.1
62.05140	0.5
67.05502	0.6
69.03431	7.5
69.07076	0.8
69.49657	3.4
70.06596	5.5
71.05016	0.9
72.08160	8.9
73.02912	1.1
77.01609	0.8
77.03912	0.7
79.05487	2.5
80.05013	1.2
81.03411	2.0
84.08132	1.6
85.02908	13.6
85.90158	0.5
86.09712	3.3
87.04454	1.4
91.05492	3.7
92.06161	0.5
92.92767	0.6
93.07051	7.1
94.06557	0.8
95.04949	1.5
97.02907	5.5
97.96127	0.6
98.98474	56.0
99.04462	0.8
103.05486	4.1
105.04517	0.7
105.05777	0.9
105.07026	1.1
106.06537	1.1
107.03706	0.8
107.04960	1.8
107.07328	1.5
108.08031	0.6
109.02865	1.4
110.06030	0.6
110.07195	1.2
110.09649	0.9
116.07102	0.9
118.06574	0.9
119.07321	0.5
120.08122	13.3
121.08882	4.3
122.06073	0.6
122.09666	4.4
124.07622	1.4
127.03925	2.2
129.10281	1.4
130.06548	2.4
132.08086	0.7
133.05289	0.7
133.62283	0.6
136.07532	1.9
138.05533	0.9
138.09142	4.1
140.10716	1.4
145.04980	2.1
148.07584	44.4
150.09158	6.3
151.06355	1.2
162.09131	1.2
166.08655	100.0
167.08946	0.9
168.10210	1.5
174.99237	4.1
176.98929	1.4
178.05023	1.0
180.10249	1.2
190.08675	1.0
208.09682	0.8
210.86546	0.5
300.14487	0.7
310.12833	0.9
328.10205	0.7
328.13895	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	328.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01868	2.1
56.96558	2.2
57.03424	4.4
61.02923	3.0
69.03429	7.7
70.06576	5.0
71.04995	10.5
71.07426	1.2
71.21349	2.6
72.08131	4.8
73.02898	2.7
78.48844	1.2
79.05493	2.2
81.03397	2.7
83.06081	1.4
84.08140	2.7
85.02908	16.9
85.06538	1.5
86.09711	2.6
87.05540	1.1
89.06035	57.0
93.07020	1.4
97.02890	3.7
98.98471	100.0
99.04454	8.6
107.04954	11.9
108.05323	2.0
109.02888	2.5
110.07173	9.9
110.42947	1.1
117.05451	1.8
120.08097	4.5
127.03899	3.1
129.10196	2.1
131.07037	7.1
139.47330	1.2
145.04887	2.2
148.07605	8.2
149.08112	30.8
156.07710	4.4
158.89682	1.3
162.05389	1.7
166.08649	69.9
174.99251	7.1
175.99573	1.9
176.98955	2.8
221.09084	1.3
222.07764	2.1
224.28795	1.5
233.56828	1.2
328.10474	1.8
328.13901	11.5
328.17343	2.1
329.11884	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	328.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91410	0.1
51.85758	0.1
55.05502	0.1
56.05033	2.5
57.05822	0.2
62.93678	0.1
65.81488	0.1
67.05489	0.2
69.03455	0.2
69.07071	5.9
70.06583	0.2
71.48568	0.2
74.06084	5.2
79.16333	0.1
81.07059	0.3
86.09708	100.0
87.10033	0.4
93.06480	0.1
95.04981	0.2
95.08625	0.2
97.35812	0.1
98.06036	1.0
98.98472	9.2
107.04971	0.4
109.02874	0.3
114.09156	0.3
116.07100	0.9
126.05521	7.8
131.04961	0.1
137.06000	0.4
138.06358	0.2
142.08513	0.1
144.06573	0.6
145.98476	0.1
157.13376	0.3
166.08757	0.2
170.15410	0.3
174.99216	0.8
177.05457	0.2
184.09695	0.2
185.12883	0.2
195.11290	0.2
197.09274	0.5
198.14917	0.5
202.10786	0.2
211.14394	1.1
217.82112	0.1
229.15472	0.2
239.13910	21.2
257.14969	2.9
328.12622	0.4
328.25525	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.1
56.05016	2.8
57.03412	2.1
58.39927	1.4
59.04998	14.9
59.21581	1.6
68.01904	1.4
69.03426	4.1
69.07060	6.9
69.38444	12.7
70.06599	27.4
71.05008	1.8
71.09320	1.6
72.08157	32.7
73.06557	70.9
74.06076	2.6
83.89362	1.6
84.08143	4.6
85.02882	7.6
86.09708	76.8
91.05497	2.5
97.02899	2.3
98.98472	100.0
99.05581	10.5
103.05511	3.1
105.46700	1.7
107.04971	3.2
109.06539	1.6
110.07171	3.0
116.07091	54.6
117.09144	4.1
120.08115	13.2
126.05486	2.8
129.10251	2.1
131.10692	7.0
138.09123	4.6
145.04997	1.9
148.07588	18.0
149.10663	2.7
149.11751	27.5
150.09154	1.8
166.03094	1.6
166.08665	12.6
174.99193	7.6
176.98869	2.9
185.16508	24.7
190.07185	1.7
190.08598	8.7
195.11284	20.6
198.53116	1.7
201.12335	2.0
211.14415	2.1
213.15965	10.6
229.15570	1.8
229.30125	1.7
239.13959	4.7
284.16071	4.8
328.15518	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
57.03446	1.5
58.05625	1.1
65.38166	1.0
67.05505	8.0
69.07066	4.0
69.19884	9.0
69.20297	1.8
76.48361	1.0
79.05499	7.6
81.03439	1.6
81.07068	7.7
81.35750	1.5
83.05000	1.1
83.08609	3.1
85.06554	1.3
91.05483	5.4
93.07058	9.7
95.04980	1.4
95.08613	5.0
97.10168	2.4
98.09704	1.4
98.98473	100.0
105.07037	5.0
107.08618	4.5
109.10149	3.3
109.48458	1.1
111.08060	1.4
119.08607	5.1
121.10152	3.7
123.11740	1.0
125.09660	2.3
133.10141	3.0
135.11681	1.8
137.09584	1.2
141.32605	1.1
145.10149	2.1
147.11757	2.0
161.13268	1.4
163.11273	1.2
173.11780	2.1
174.99226	6.4
176.98965	1.9
189.11238	1.9
275.20135	5.0
348.72223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
55.05270	4.5
55.05511	49.8
65.48597	2.3
67.05499	12.3
69.03429	7.4
69.07059	9.1
69.41147	2.2
69.54639	2.3
71.22607	6.1
79.05506	23.0
81.07064	16.2
83.05000	3.9
83.08620	33.3
91.05489	13.0
93.07024	7.7
95.08598	7.6
97.10171	67.2
98.98470	100.0
105.07023	11.8
107.05044	3.1
107.08595	64.3
109.10223	2.8
111.08132	5.3
116.03942	2.8
116.10721	3.8
118.02280	2.5
119.08582	6.3
125.09627	60.0
131.08591	2.8
133.10094	9.1
135.08025	2.8
135.11700	2.9
143.10664	5.5
145.10106	4.4
147.11665	5.1
153.09055	3.2
159.11723	3.3
171.10193	16.3
174.99229	8.8
181.12138	2.9
189.09631	5.1
189.11217	71.7
191.14127	3.2
257.19046	4.4
275.20081	56.5
305.68311	3.0
328.25104	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
67.05506	3.5
69.07072	2.3
70.06570	1.3
71.09291	1.9
71.09618	1.6
79.05488	5.2
81.07058	8.8
83.08613	1.5
87.97545	1.2
91.05500	1.5
93.07054	3.9
95.08617	2.2
97.06539	1.5
98.98471	100.0
105.07043	2.8
107.08573	1.8
109.06529	3.5
109.10181	1.4
119.08556	2.9
121.10121	1.8
131.08583	2.4
133.10139	2.3
145.10117	2.8
147.11749	2.6
156.09421	1.3
163.11302	1.4
174.99263	8.0
175.99666	1.5
176.98936	2.3
192.03723	1.4
275.20007	9.3
293.21121	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	329.1494
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
57.56418	0.3
58.35783	0.2
65.03948	0.4
68.30786	0.3
69.03435	0.4
69.22323	2.1
70.06587	1.1
72.08159	0.8
79.05508	0.3
84.04517	0.4
84.08150	1.0
85.02919	0.8
86.09719	1.1
91.05483	27.2
93.07024	0.4
94.06508	0.3
94.88196	0.3
97.02879	0.3
98.98469	51.8
100.98888	0.6
103.05479	0.7
107.04946	3.5
108.08098	0.3
109.06527	0.9
116.99506	0.7
118.06554	0.8
119.04944	16.7
120.08101	11.1
121.02869	1.5
121.06506	1.6
129.10237	0.4
132.08096	0.4
136.07581	100.0
137.07942	1.0
144.95805	0.5
146.06058	1.4
147.04449	0.3
149.05995	0.3
150.09058	0.3
161.83008	0.3
166.08643	4.9
167.06987	0.3
168.10217	0.7
174.99205	4.0
176.98886	1.5
182.08217	0.4
184.04417	0.4
192.06581	0.4
206.08127	1.5
210.02510	0.3
241.09705	0.9
252.99850	0.3
283.06122	0.8
283.14471	0.7
284.12595	0.5
286.04691	0.5
299.05447	0.5
300.06482	0.6
311.09894	0.4
312.12210	0.7
329.06619	7.1
329.10913	0.7
329.15140	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	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.05512	28.1
57.03426	5.6
57.07075	17.5
57.95256	2.1
60.43047	1.8
67.05508	28.4
69.07079	36.9
70.32277	6.5
70.32623	1.9
71.08614	8.0
79.05077	2.2
79.05504	21.7
81.07066	40.6
83.04974	2.9
83.08626	22.8
85.10182	4.9
91.05482	2.2
93.07049	26.2
93.63354	1.7
95.08614	29.3
95.20721	2.3
97.06529	13.0
97.10175	19.4
98.98476	100.0
103.03934	5.4
106.17847	2.0
107.08582	16.2
109.10159	11.4
110.93195	2.2
111.08068	5.7
111.11731	4.9
112.57986	2.2
121.10149	41.2
123.11699	11.5
125.09621	4.3
135.11699	26.5
137.13249	7.1
139.11182	2.1
149.13246	14.3
163.14812	7.1
173.93431	2.1
174.99194	5.1
176.98891	2.9
219.21095	37.1
237.22131	28.7
255.23276	3.5
311.25836	16.1
329.27164	2.2
334.45755	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	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24592	3.5
53.03928	3.6
55.01857	3.4
55.05515	63.2
56.33356	3.3
57.03421	15.1
57.07079	28.5
63.10267	3.1
64.26865	3.6
67.05502	59.8
69.06731	5.6
69.07068	61.5
70.19057	8.1
70.19441	7.9
71.04980	6.1
71.08634	16.9
79.05495	40.9
81.07054	77.3
83.08621	51.8
85.10155	9.3
91.05477	6.3
93.07046	51.2
95.08058	5.4
95.08609	52.8
97.06548	24.7
97.10169	32.8
98.21467	5.3
98.98471	100.0
98.99125	5.0
99.08080	4.4
103.03922	6.2
107.08596	38.5
109.10151	28.7
111.08085	9.1
111.11703	10.0
115.07500	3.1
121.10148	82.5
123.11731	21.3
129.05458	4.3
135.11700	59.1
137.13255	15.3
139.11125	6.6
149.13223	22.0
163.14789	14.0
167.14362	4.4
174.99290	9.1
176.98967	3.8
219.21074	78.0
237.22122	54.2
237.30182	3.1
255.23090	5.5
259.10150	3.4
264.52060	4.3
291.02930	3.7
302.68143	3.6
310.28564	3.3
311.25793	28.4
329.26950	6.3
330.33606	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	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24592	3.5
53.03928	3.6
55.01857	3.4
55.05515	63.2
56.33356	3.3
57.03421	15.1
57.07079	28.5
63.10267	3.1
64.26865	3.6
67.05502	59.8
69.06731	5.6
69.07068	61.5
70.19057	8.1
70.19441	7.9
71.04980	6.1
71.08634	16.9
79.05495	40.9
81.07054	77.3
83.08621	51.8
85.10155	9.3
91.05477	6.3
93.07046	51.2
95.08058	5.4
95.08609	52.8
97.06548	24.7
97.10169	32.8
98.21467	5.3
98.98471	100.0
98.99125	5.0
99.08080	4.4
103.03922	6.2
107.08596	38.5
109.10151	28.7
111.08085	9.1
111.11703	10.0
115.07500	3.1
121.10148	82.5
123.11731	21.3
129.05458	4.3
135.11700	59.1
137.13255	15.3
139.11125	6.6
149.13223	22.0
163.14789	14.0
167.14362	4.4
174.99290	9.1
176.98967	3.8
219.21074	78.0
237.22122	54.2
237.30182	3.1
255.23090	5.5
259.10150	3.4
264.52060	4.3
291.02930	3.7
302.68143	3.6
310.28564	3.3
311.25793	28.4
329.26950	6.3
330.33606	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	330.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.0
56.32366	0.7
58.81422	0.6
60.04529	0.6
65.47549	0.6
67.05492	0.7
69.03432	1.1
69.07050	0.8
70.06599	13.5
70.67150	0.6
70.87515	0.9
70.87860	1.0
72.08145	1.8
74.06078	1.8
74.48564	0.6
74.99662	0.7
79.05534	0.6
82.01462	0.6
82.06548	0.6
84.04507	1.8
84.08157	3.4
85.02907	1.1
86.09711	5.7
94.04185	1.2
97.02885	0.8
98.98472	38.3
99.98942	0.9
100.52509	0.6
105.07081	0.6
107.04900	0.8
110.07149	1.6
116.07075	3.7
116.99544	0.9
120.08046	1.1
122.03632	3.3
129.10249	1.5
130.06592	0.7
132.08105	1.0
137.05984	100.0
150.09132	3.4
168.06650	1.1
168.10217	2.1
174.99258	1.4
176.98863	1.7
182.09598	0.6
187.14464	1.7
193.12277	0.7
197.07121	2.2
199.10777	1.4
201.12552	0.7
222.61270	0.6
240.11343	1.0
269.09274	0.8
330.07047	0.9
330.11752	4.1
330.15387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05500	3.7
56.05039	1.4
57.03431	0.9
61.02920	1.7
61.93210	0.9
67.05508	1.3
69.03420	2.6
69.07066	2.5
69.31995	0.8
70.06596	16.2
70.72134	2.3
71.04967	0.9
72.07764	1.4
72.08159	26.3
74.06098	0.9
81.03399	1.3
81.07028	1.1
84.04500	4.1
84.08117	5.5
85.02899	4.4
86.09709	35.5
90.32799	0.9
91.05481	3.0
92.05783	1.2
94.06532	0.8
97.02877	1.3
98.98470	29.7
99.04425	1.1
103.05412	1.0
105.07023	5.5
106.06557	2.8
107.04955	2.1
107.06626	1.3
107.07336	22.5
110.07172	1.5
111.95478	0.9
115.05462	1.2
116.07082	1.6
117.05765	33.1
119.04886	1.1
120.08099	3.6
121.08441	2.5
122.06026	2.2
122.09695	1.7
127.03971	1.2
129.10257	2.0
130.06482	1.1
132.08098	85.6
136.07565	7.3
137.06017	1.2
137.07935	3.3
140.10742	1.7
142.03209	0.8
150.09149	100.0
164.07079	3.5
168.10208	6.1
174.99191	1.5
177.05479	1.1
179.04921	0.9
182.08154	2.1
185.16508	15.5
198.11259	1.3
213.15991	6.6
216.12328	1.5
224.11325	1.9
229.15466	1.5
231.16977	2.6
257.42102	0.9
295.10434	1.1
312.10721	2.1
315.08585	1.4
330.06903	2.0
330.10742	1.2
330.15680	2.1
334.86508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2026
Annotation	Pro Leu Thr
Peak:m/z	Relative Intensity
50.70333	0.3
56.05034	0.9
60.04522	0.6
65.48035	0.3
69.03437	0.4
69.07072	1.9
70.06596	100.0
70.28297	0.7
70.28653	0.7
71.06942	0.6
72.08163	1.1
72.22105	0.3
74.06059	0.5
81.31897	0.3
82.09510	0.3
83.06124	0.4
84.04505	1.6
84.08138	0.9
85.02914	0.6
86.09711	17.4
97.02940	0.6
98.97573	0.7
98.97741	0.5
98.98473	15.3
99.66573	0.3
102.05584	0.4
107.04956	1.4
109.02905	0.4
110.90827	0.3
114.05540	0.3
114.09177	0.7
115.11498	0.3
116.07097	0.9
120.06580	0.9
129.10226	0.7
130.05019	0.6
132.18327	0.3
136.06209	0.7
136.07623	0.5
140.07103	1.2
150.09178	0.6
152.10709	0.4
168.06561	2.3
168.10199	0.3
174.99257	0.5
176.98973	0.7
183.14938	36.2
211.14424	17.8
211.16484	0.6
215.14044	0.9
225.12434	0.4
227.10506	0.8
233.14923	2.7
237.97769	0.3
312.10831	0.6
312.19263	2.1
313.18811	0.4
330.12149	0.9
330.20251	4.2
331.13956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2387
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
52.39007	0.4
54.49666	0.4
55.05270	0.7
55.05515	7.9
56.05016	0.4
57.05817	0.9
69.07063	2.0
70.06593	0.8
70.97413	0.8
72.08158	100.0
72.72610	0.4
84.08152	0.8
86.06081	2.1
86.09711	5.8
95.80453	0.4
98.98447	2.7
100.07660	0.5
101.02431	0.5
106.97678	0.4
109.06551	1.1
111.08115	0.5
116.10754	1.1
132.10161	1.9
137.06027	1.8
143.04958	0.8
170.11792	0.7
171.14929	35.4
177.07953	1.0
185.16570	1.5
192.10185	3.5
198.11270	6.0
199.14421	17.9
216.12296	6.6
231.17046	4.1
299.12674	0.4
312.18307	1.0
326.08060	0.4
330.17236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.3
56.05034	1.7
56.30030	1.3
57.07064	4.0
67.05493	4.9
69.07073	2.5
70.06590	2.4
71.08617	2.9
71.48846	1.5
74.06095	6.3
79.05475	4.2
81.07042	7.2
84.04493	3.8
87.04455	7.1
88.07629	1.8
91.05475	2.5
93.07048	4.2
93.94324	1.4
94.86768	1.4
95.04948	1.6
95.08605	3.2
97.10199	1.3
98.98473	100.0
100.11237	2.2
100.98869	2.0
101.06049	1.8
102.05551	1.5
105.07044	3.1
107.08592	2.3
109.10152	1.6
111.08023	1.4
119.08617	2.5
120.06592	8.0
121.10181	1.3
125.09724	2.0
125.38905	1.2
130.05000	2.2
131.08580	1.5
133.10130	2.0
133.37669	1.2
139.11229	1.8
145.10202	1.6
148.06036	1.9
174.99213	4.6
176.98950	4.4
182.16618	1.2
189.11201	3.3
268.45865	1.4
268.49115	1.5
277.21591	3.3
330.29959	9.1
330.33701	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
55.05245	3.4
55.05514	53.8
58.17559	2.3
59.27147	1.9
62.21913	2.3
67.05508	22.6
69.03427	6.3
69.07072	11.8
69.83926	3.8
69.84327	6.4
70.06631	2.1
70.12991	1.8
71.08641	10.7
79.05492	16.2
81.03400	3.2
81.07058	19.1
83.04997	5.1
83.08618	35.3
85.06535	2.6
86.92165	2.4
87.04474	4.0
89.56274	2.1
91.05483	6.5
93.07053	10.9
95.08633	2.9
97.09557	4.3
97.10173	65.7
98.98471	90.1
99.08096	7.9
101.97324	2.2
105.07059	4.0
107.08588	17.9
107.95399	2.1
109.10118	5.7
111.08105	3.4
111.94746	2.9
117.07064	2.4
125.09637	55.9
133.10162	2.7
135.08099	2.9
135.11707	4.6
143.10707	4.1
151.11168	6.2
153.09125	4.3
158.27809	2.2
161.13234	5.3
163.07480	2.3
163.11224	3.8
171.10194	17.0
173.13213	2.5
175.14801	2.8
176.98926	2.2
179.14334	2.3
189.11226	100.0
193.41884	2.3
211.85126	2.1
259.20615	6.4
277.21646	50.9
278.21988	2.7
284.80289	2.4
295.22534	8.4
330.30084	4.3
330.33563	5.4
351.93118	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	330.3002
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
53.51414	2.2
55.05278	2.4
55.05514	30.6
56.05014	3.5
57.07076	15.8
60.04526	40.6
60.78079	2.0
67.05504	78.0
69.07065	36.3
70.06594	11.9
71.04955	2.2
71.08614	7.1
72.04498	3.2
77.29629	2.2
79.05482	8.8
81.07056	88.0
83.08616	31.2
84.08121	2.4
85.10155	3.0
86.06032	2.1
88.04003	3.2
88.07613	2.0
89.64983	1.8
93.07030	4.4
95.08607	78.6
96.08929	2.3
97.10176	20.0
98.06030	5.4
98.21533	5.6
98.98462	65.1
106.08672	2.2
107.08586	2.2
109.10159	32.9
111.11693	5.9
123.10748	1.9
123.11691	9.7
129.01811	4.9
137.13255	4.8
174.99182	2.4
176.98947	4.2
220.80630	2.1
249.25847	4.4
254.28458	2.8
266.28397	10.2
284.26569	4.1
284.29453	43.4
294.27933	35.3
302.30347	4.0
312.28970	100.0
312.32327	4.3
314.77133	2.4
330.30005	3.7
330.33643	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	8.3
57.03428	9.0
61.02919	9.3
69.03429	28.7
69.13627	37.6
69.14046	13.9
70.06577	15.1
72.08144	10.5
81.03410	8.1
83.06113	6.3
84.04504	14.6
84.08133	10.1
85.02915	63.7
86.09708	51.4
87.64284	3.9
90.05576	6.2
97.02896	28.2
98.97565	8.2
98.98482	7.5
99.04469	8.0
101.00874	12.5
102.02406	4.7
103.38583	4.1
105.21114	4.0
108.07561	4.6
108.08131	54.8
109.02901	5.1
112.28138	4.7
116.07034	5.2
119.01898	14.7
124.07590	17.8
127.03910	22.5
129.00276	5.4
129.10204	12.4
130.04980	13.5
131.01906	6.0
134.05980	5.4
136.07622	10.2
143.01895	21.0
145.03499	5.0
145.04898	11.4
147.07631	22.4
147.11227	6.4
152.07086	50.7
155.01930	9.0
157.03488	16.9
160.04832	10.6
161.02968	10.3
169.05385	10.5
170.08118	5.5
173.02930	12.5
185.02962	13.4
203.04001	16.8
218.11401	7.7
219.01761	7.8
221.05048	9.7
241.06776	9.7
245.05101	15.0
250.07047	5.1
259.06592	8.7
271.03000	12.5
299.02444	13.0
314.12241	23.8
319.08649	17.6
331.07950	100.0
331.20428	5.0
332.13269	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	331.1288
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01874	3.5
61.51014	0.4
67.05521	0.6
69.07063	0.7
70.06589	0.5
71.04978	0.8
71.47961	0.6
79.05486	1.6
80.49513	0.4
81.07053	0.8
82.06587	0.7
82.84609	0.4
91.05502	1.0
92.71917	0.4
93.07049	0.5
94.06572	1.7
95.04985	0.6
95.08626	0.6
95.91246	0.4
97.06531	2.2
98.98471	20.5
100.98861	0.5
105.07001	0.9
106.06569	3.4
107.04959	2.7
108.04473	4.2
108.08160	0.6
109.06483	0.5
110.06029	1.5
116.99467	0.4
118.06569	0.5
119.08656	0.5
120.08136	1.2
122.06024	3.2
124.07575	0.7
129.06989	0.7
132.08122	0.6
133.07619	0.9
134.06024	1.7
136.03979	2.1
137.05998	1.3
138.05505	0.4
140.07094	0.6
141.07051	0.6
144.08049	0.7
146.05951	0.5
148.03990	0.4
148.07599	0.9
150.05482	0.5
152.07100	1.0
153.06972	0.6
155.08511	0.5
156.08105	1.0
157.08803	0.4
158.09703	1.1
159.09203	1.0
161.05923	0.5
161.07161	1.9
162.05508	8.2
163.06322	0.6
163.16153	0.4
164.07072	2.4
165.07028	0.6
167.07083	0.6
168.06541	1.4
168.07883	0.4
169.06412	0.4
169.07645	0.7
170.08235	1.7
170.09689	1.9
171.04431	0.6
172.06310	0.7
172.07608	0.7
172.09941	0.5
172.11241	0.7
173.10782	1.4
174.09177	0.7
174.99252	0.7
175.08675	1.0
176.07076	1.6
176.98943	1.4
181.06398	0.5
183.09227	1.2
184.07596	1.3
184.09892	0.9
185.07208	0.6
185.10779	0.8
186.07820	2.7
187.08672	4.7
187.12271	0.8
189.06602	8.0
194.08154	1.0
197.10783	1.0
198.09178	1.3
199.08734	1.1
200.09305	2.0
201.06532	0.8
201.10248	8.2
201.13918	0.5
203.08150	5.1
203.11813	0.5
211.08717	1.1
211.12271	0.8
212.07010	0.9
212.10805	1.2
213.06804	0.5
213.10298	3.1
214.07428	1.5
214.10777	0.9
215.08180	17.2
215.11664	5.4
218.48174	0.6
225.10260	1.9
226.08693	1.1
226.11005	0.7
227.08235	1.1
227.11797	0.4
228.08821	1.9
229.06165	1.1
229.09734	15.5
229.13182	2.3
230.10332	0.4
231.11299	1.0
238.32358	0.4
239.08116	0.9
239.11871	2.5
240.10178	0.9
241.09763	2.7
242.10558	1.4
242.49117	0.4
243.07788	2.5
243.11319	7.2
247.14558	0.9
251.08261	0.5
252.08963	0.8
253.09764	1.3
254.10567	0.9
255.11252	1.1
257.09225	9.8
257.12881	7.9
259.10687	0.7
267.11301	4.4
268.09674	0.7
269.09140	0.7
271.10797	7.2
275.13889	5.4
279.07608	0.4
285.09149	0.9
285.12344	13.7
295.10840	4.6
299.09225	1.1
303.13397	5.2
313.08487	0.8
313.11813	23.6
314.12106	0.7
331.12875	100.0
332.13156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.94499	0.9
55.05515	4.7
55.05729	0.7
57.07070	4.8
61.08216	0.8
65.03938	2.5
67.05502	13.3
69.07054	2.0
69.86884	4.2
79.05480	0.9
85.06535	9.5
91.05482	7.5
94.06712	0.8
97.06531	0.7
98.98471	24.1
103.05475	0.9
107.04956	0.8
119.04938	2.9
122.05412	0.7
129.06941	0.9
131.04890	4.7
142.00334	0.9
145.10097	1.3
147.04408	15.0
159.04395	5.6
160.13947	0.8
161.06018	1.9
163.03900	2.8
171.04485	1.3
173.06046	1.7
175.03909	100.0
176.04501	1.2
176.98944	1.4
177.05502	9.1
187.03902	16.4
187.07515	2.0
189.05461	7.8
199.03914	4.3
201.05479	2.7
203.03366	3.5
203.07053	2.8
213.05440	2.2
213.09186	1.0
215.07063	3.0
217.04950	1.0
217.08562	1.5
226.06221	3.2
229.08612	16.6
231.10167	12.6
241.08612	11.8
243.10184	12.6
245.08075	3.1
247.09662	31.1
253.08473	0.9
259.09644	10.8
295.13336	1.9
313.14294	8.1
331.15381	48.2
332.15747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
51.14923	1.4
54.38525	1.6
55.05503	6.8
57.07065	5.5
65.03925	2.8
67.05505	20.5
69.07067	2.3
69.46702	1.7
70.00739	2.8
70.01132	4.2
79.05482	1.7
79.21626	1.4
79.91399	1.5
85.06538	16.0
91.05477	7.0
98.20853	1.7
98.84440	1.7
98.98471	57.5
103.05470	2.7
105.07008	1.6
119.04913	2.9
129.06952	1.7
131.04924	6.2
131.08537	2.1
147.04402	17.5
159.04427	7.6
159.11652	1.8
163.03860	3.5
168.57718	2.1
173.05949	1.8
174.99185	2.7
175.03905	100.0
176.98885	5.0
177.05437	11.3
187.03908	21.8
187.07559	2.6
189.05507	10.8
198.06599	2.2
199.03896	8.5
201.05464	7.4
203.03355	3.7
203.07080	2.1
213.05408	3.8
215.07097	3.5
217.04800	2.1
219.06546	1.7
226.06245	5.6
227.07010	3.6
229.08607	29.5
231.10162	15.6
241.08614	19.9
243.10168	17.6
245.08206	3.0
247.09657	49.9
259.09634	14.3
313.14362	13.6
331.12006	2.2
331.15283	7.5
331.18793	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	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01861	2.6
55.05515	35.5
56.05840	1.3
56.58657	1.2
57.03435	3.7
58.99580	1.4
59.05001	2.3
61.02932	7.5
67.05505	6.6
69.03431	28.0
69.07072	11.9
70.06592	13.6
70.28782	1.0
70.60791	2.9
70.61137	1.4
71.04995	23.2
71.06935	1.0
72.08158	59.0
73.02913	3.3
73.06565	1.1
73.07849	2.4
73.08492	17.0
76.02232	1.7
79.05486	3.5
81.03419	11.7
81.07071	11.7
83.04983	5.1
83.08620	28.6
84.04504	4.7
84.08154	7.9
85.02908	36.3
85.06541	3.0
86.06107	1.1
86.09712	17.8
87.04474	2.3
87.10030	1.5
91.03959	3.0
91.05486	3.9
93.05794	1.0
93.07040	6.2
94.06580	4.8
95.04962	8.2
95.07375	1.8
95.08605	6.7
96.08136	2.5
97.02897	15.1
97.06529	1.5
98.98470	100.0
99.04459	39.6
99.05116	1.5
99.08094	1.9
101.09675	4.1
105.07053	3.1
107.04960	3.6
107.08582	7.0
108.08117	6.6
109.02866	6.5
109.06506	2.8
109.10159	40.1
110.07178	2.6
110.09668	2.8
111.04416	1.5
111.08086	1.3
113.05993	2.1
114.05585	1.3
116.07079	3.1
116.99502	1.3
120.08088	7.6
122.06034	11.6
123.11686	9.0
124.07610	4.8
127.03922	14.0
127.07541	2.9
129.09131	5.8
129.10245	3.2
130.05095	1.4
132.10179	2.0
133.06561	1.3
133.10155	4.6
136.07564	9.9
137.06007	4.0
138.09155	3.7
143.03412	3.2
145.04987	8.3
148.07634	2.3
149.06007	1.6
150.05501	4.8
151.07516	1.2
151.11194	10.4
152.07184	1.6
153.12735	3.4
154.08644	13.2
160.03975	1.3
166.08693	7.7
167.08621	1.5
169.12250	28.1
171.14941	13.0
172.15312	12.5
174.99234	3.7
176.98959	6.5
177.05455	1.9
178.05006	15.2
189.03931	2.2
198.11295	1.6
199.11662	1.7
199.14452	4.2
200.14783	6.9
203.05515	1.3
210.15681	1.1
213.03886	7.1
216.12302	1.3
217.12698	2.4
223.07500	7.4
231.04968	3.6
232.17433	2.3
252.09052	1.3
252.99765	1.5
269.08084	2.3
280.08231	1.5
285.12210	3.1
285.95377	1.0
295.10693	1.6
302.05133	1.0
313.08197	2.4
313.11945	9.0
331.09195	7.2
331.12927	6.8
331.17252	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	331.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01866	2.0
55.05510	18.3
57.03444	5.2
67.05502	2.5
67.29189	1.0
69.03416	2.9
69.07076	13.2
69.72256	5.4
70.06576	2.7
71.04996	1.4
72.08138	2.1
79.05492	8.0
80.47993	0.9
81.03415	2.1
81.07059	100.0
83.04978	3.1
84.04470	1.2
84.08138	3.6
85.02912	6.1
86.09711	2.8
91.05496	1.9
93.07030	3.1
93.12335	1.1
95.04961	2.3
95.08614	3.3
96.68139	1.0
97.02888	3.3
97.06557	3.1
98.98473	58.2
99.04476	2.8
99.08099	71.7
100.98895	1.9
105.07065	1.5
107.04950	2.4
107.08584	2.8
109.06512	2.2
109.10155	4.5
111.08075	1.9
113.09637	6.3
123.08101	1.4
127.03906	1.1
129.02094	1.0
129.10231	2.7
135.08072	1.2
141.09100	3.7
145.04956	1.4
151.07564	1.7
151.11110	5.1
153.12750	15.1
169.10669	2.3
169.12270	4.5
174.99229	3.4
176.98915	4.6
193.12186	1.7
221.11728	1.9
313.16602	1.1
331.13153	1.3
331.17551	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	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
67.05508	2.6
69.04060	0.5
69.07075	0.7
69.17110	5.6
70.06573	0.7
78.84781	0.5
79.05489	0.9
81.07053	2.7
84.08117	0.6
85.06581	0.6
86.52234	0.5
87.59550	0.5
91.05466	1.7
93.07053	1.3
95.04974	0.8
95.08598	1.3
97.10188	0.8
98.20821	1.3
98.98470	100.0
100.98882	2.3
105.07023	1.7
107.08577	1.1
109.10126	1.0
116.99516	2.0
117.07044	0.8
119.08568	1.6
121.10160	1.1
122.74822	0.6
129.07031	0.6
131.08611	1.1
133.10158	1.1
135.31241	0.6
137.06059	0.5
142.53241	0.5
145.10120	1.2
149.13326	0.7
159.11694	1.1
174.99249	3.7
175.03891	0.6
176.98943	7.9
189.11166	0.7
212.08455	0.6
235.89389	0.5
252.99725	1.1
254.69167	0.6
285.11078	1.0
300.13495	1.1
313.21552	1.0
331.18805	63.4
331.22247	2.3
331.30078	1.4
331.33884	1.1
332.18994	1.2
332.22678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96574	5.3
57.07074	0.9
58.36287	0.7
67.05497	0.9
69.03428	0.9
70.31071	0.7
70.31413	2.7
71.95258	1.3
79.05497	1.3
81.07046	2.7
84.96062	1.0
91.05495	1.6
93.07056	1.9
95.08627	1.9
98.20866	0.9
98.98469	100.0
100.98914	2.4
105.07035	2.0
107.08589	1.9
109.10149	1.3
110.97582	2.1
116.99522	2.0
119.08569	2.3
121.10150	1.0
127.00661	0.8
128.98604	2.0
131.08530	0.7
133.10088	0.9
145.10081	0.8
147.11636	0.9
159.11636	1.1
174.99239	3.3
175.04082	1.0
176.98923	7.5
185.04890	1.7
199.06424	2.9
203.05896	1.2
217.07568	2.1
219.03242	1.0
223.02808	1.3
225.04510	0.8
226.05066	1.3
237.04395	2.0
245.50969	0.7
252.99763	0.8
261.08008	0.9
267.09097	1.5
280.10031	1.1
331.15628	7.9
331.18857	48.5
331.30133	1.1
331.34048	1.2
332.18890	0.9
332.22372	1.3
349.16849	31.2
350.17447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.11823	2.0
55.05502	17.4
57.03430	10.8
57.07074	100.0
67.05249	2.0
67.05505	25.9
69.07072	17.7
69.73957	6.8
69.74390	8.6
71.08244	4.2
71.08628	76.1
75.04478	4.7
78.41472	2.1
81.07054	42.5
83.08622	28.3
85.10181	41.7
90.91977	2.1
95.08608	60.2
97.10176	13.3
98.98468	63.6
99.11761	2.5
109.10158	23.4
111.11719	3.7
123.11725	13.2
123.12485	2.3
125.13206	2.8
137.13242	5.6
151.14755	3.2
152.27586	2.5
176.98895	3.9
206.38295	2.3
209.42010	2.7
239.23701	22.2
257.24747	10.4
313.27328	63.2
331.34140	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.7
57.03450	5.7
57.07081	100.0
67.05510	31.1
69.07079	19.7
70.06585	4.2
71.08640	70.7
73.02381	3.4
79.05502	7.2
81.07066	36.0
83.08614	29.0
85.10197	37.7
88.07627	6.8
95.08617	63.5
97.10176	14.3
98.20822	10.8
98.98463	18.0
99.11741	5.2
99.62134	3.8
109.10161	33.0
123.11678	8.1
156.73901	3.4
168.92027	3.6
184.62451	3.7
239.23709	19.8
313.27374	51.9
323.54001	4.6
331.33981	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05509	11.7
57.03432	7.1
57.07078	100.0
67.05514	21.9
69.07079	15.5
70.06591	5.5
71.08635	65.1
75.04483	2.7
79.05517	2.4
81.07058	33.1
83.08632	22.5
85.10194	33.0
88.07648	6.3
93.07079	3.0
95.08613	52.1
97.09591	2.3
97.10145	12.4
98.98472	53.0
102.09127	1.7
103.07577	1.8
106.08668	2.5
109.10162	25.6
111.11739	5.4
116.21507	1.7
123.08144	1.8
123.11699	11.9
125.13327	3.8
131.90808	1.7
137.13251	5.5
151.14856	2.2
165.16379	2.2
176.98927	3.0
221.22757	2.0
239.23784	21.7
257.24768	4.9
277.81879	1.9
313.27408	61.1
313.32922	3.8
331.26141	3.0
331.34024	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03929	0.8
56.96565	1.5
57.03446	2.6
61.02923	2.3
61.15506	0.6
63.93845	0.5
64.93523	0.5
65.03947	1.3
67.05510	2.9
69.03436	7.6
69.54425	0.5
70.90203	1.1
71.04979	0.8
72.08155	0.5
73.02911	1.8
79.05495	1.1
81.03416	1.9
81.07056	0.8
85.02434	1.1
85.02905	9.1
86.09706	0.8
87.04461	2.0
93.05817	0.9
96.08117	0.7
97.02897	4.8
98.97601	1.7
99.04440	1.1
99.36450	0.5
106.06556	5.4
108.08124	100.0
109.02893	1.4
123.06822	4.3
124.07598	15.8
127.03918	2.3
129.10294	0.9
130.10544	0.6
134.06035	10.8
136.07588	14.2
144.02092	0.6
152.07076	70.7
154.08643	1.9
161.58983	0.6
170.05182	1.1
170.08124	8.8
213.03535	0.7
220.18500	0.6
242.07193	1.4
251.07851	1.6
274.32208	0.7
314.12360	37.0
321.09985	0.7
332.13416	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01880	0.9
56.96554	1.2
57.03440	4.5
59.04987	1.0
61.02930	3.5
65.03939	1.1
67.05508	3.3
69.03432	11.2
70.06593	0.9
71.04982	0.9
72.08150	2.4
73.02930	3.2
79.05488	1.3
81.03429	3.7
81.07047	0.8
83.04985	0.7
83.77087	0.6
84.04503	1.9
85.02911	16.2
86.09709	11.5
87.04468	2.4
91.03955	1.6
93.05778	1.4
96.08133	1.3
96.91811	0.7
97.02899	7.0
98.97595	3.1
99.04472	1.9
101.00858	1.6
101.02366	0.6
102.05558	1.0
106.06549	5.3
107.04965	1.7
108.08124	100.0
109.02891	2.3
109.08442	1.0
113.00864	0.8
123.04433	4.4
123.06815	5.3
124.07598	19.2
127.03932	4.8
128.24625	0.7
130.05008	0.9
133.03450	1.2
134.06013	11.1
136.07582	14.0
143.01939	1.1
145.03545	0.7
145.05000	2.6
148.06114	0.9
149.24756	0.7
152.07071	78.8
154.08676	2.0
155.01903	1.0
157.03534	0.6
157.13361	1.4
161.05629	6.5
161.55667	0.7
170.06187	1.5
170.08142	11.0
170.56131	1.0
171.04184	1.0
185.12955	0.9
201.08664	0.8
215.13927	1.4
219.07228	2.1
219.09789	1.1
229.16132	0.7
231.07384	0.7
242.08057	2.3
243.13441	0.9
245.05037	1.0
251.08458	0.9
263.06174	0.7
314.12347	39.2
315.12622	0.8
315.41724	0.6
321.10352	5.4
322.10602	1.2
332.13470	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	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.7
56.05041	11.0
57.03416	1.1
58.06598	6.1
60.04534	1.2
62.06086	0.9
67.05488	1.5
69.07067	7.3
69.94798	1.4
69.95186	2.5
70.06595	5.4
72.08157	43.9
72.37778	0.7
73.04024	1.8
74.05668	1.4
74.06079	25.8
79.19122	0.9
81.07035	2.0
84.04502	8.4
84.08149	4.3
85.02903	2.2
85.06508	1.1
86.06077	1.2
86.09711	22.0
87.05575	1.3
93.07031	1.9
95.08616	4.2
96.08115	1.7
97.06551	1.4
98.06034	0.9
98.21487	1.0
98.98481	8.3
101.07140	23.3
105.00124	1.0
107.04973	8.3
108.08151	4.0
109.10120	1.2
110.07211	1.2
110.09699	5.7
112.07612	1.7
112.11231	1.8
116.07088	1.1
116.10751	4.3
120.08080	2.0
124.07591	1.8
126.09158	1.2
128.07118	1.1
128.10727	17.0
129.10245	6.7
129.44788	0.9
132.10199	2.7
135.11665	1.0
136.07608	1.2
142.08632	2.1
142.12257	3.0
143.11806	1.0
151.11139	2.3
152.07069	2.9
152.10722	1.7
155.11775	1.6
170.11769	3.8
173.12868	100.0
175.08630	0.9
187.14423	12.0
193.12199	1.1
200.12810	17.8
201.12341	29.7
212.16418	4.2
215.13872	4.6
218.13899	1.2
219.13400	1.2
223.07455	1.5
231.17114	2.2
240.10229	1.2
287.10556	1.3
314.19565	3.5
315.09558	1.3
332.14581	0.9
332.20383	2.3
333.10855	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	332.2181
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
55.05500	0.5
56.05032	0.7
69.03426	0.7
69.07070	4.7
70.06596	1.5
70.86564	0.5
70.86880	0.7
72.08157	6.5
82.06609	0.3
84.04508	1.9
84.08138	1.6
85.02916	0.7
85.26714	0.3
86.09708	100.0
87.10056	0.7
88.04004	0.5
94.06580	0.3
96.08159	0.4
97.02874	0.4
98.97578	0.4
98.97828	0.4
98.98474	4.1
102.05543	2.5
106.05006	0.5
107.04961	3.6
108.08121	3.9
110.07127	0.3
118.08664	0.7
118.43393	0.3
124.07592	1.1
125.06060	0.3
127.08717	0.5
129.10225	0.7
131.04903	0.3
132.10201	1.0
136.07602	1.0
137.06001	1.2
138.06358	0.4
139.06448	0.5
142.08621	0.5
152.07063	3.0
169.09760	0.5
170.08160	0.9
173.09225	2.3
176.99004	0.4
187.10780	2.3
199.18066	26.7
201.08710	1.5
201.12326	2.4
202.68773	0.4
211.71863	0.4
215.10349	1.1
219.13403	4.5
227.17537	9.1
233.11418	0.9
236.49944	0.3
286.11923	0.4
297.72339	0.3
314.12451	2.0
314.20761	1.1
332.13446	2.3
333.15146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	12.9
61.72874	0.4
69.07074	11.4
69.59569	1.3
69.59996	1.7
70.06581	0.8
72.08157	1.2
81.07070	0.5
84.08157	0.8
86.09716	100.0
87.05614	1.6
87.10029	0.6
98.98492	2.2
105.06607	0.7
107.04953	1.0
108.08105	1.0
109.61087	0.4
120.08099	0.6
128.10767	2.7
129.10370	0.5
132.10220	12.5
133.38216	0.6
133.92944	0.4
137.82446	0.5
152.07127	0.8
155.11852	0.9
173.12883	27.2
183.11372	0.6
201.12370	18.8
201.14256	1.0
219.13422	21.1
293.18130	0.5
314.20700	0.9
332.14017	0.7
332.21677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
51.85859	0.9
60.04529	22.6
69.07055	0.7
69.15321	4.1
69.15748	3.5
70.02962	0.9
72.04490	1.2
72.08155	1.0
76.22115	0.7
86.09710	96.1
87.05600	13.8
98.98450	2.8
107.04954	1.5
116.61343	0.7
124.07555	2.8
128.10728	10.0
132.10225	6.2
147.66318	0.7
152.07014	4.6
173.12868	100.0
201.10568	1.5
201.12358	26.2
201.14226	1.4
219.13448	3.9
245.18608	2.3
273.13770	1.5
332.14584	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	333.1157
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
56.96553	0.7
57.03425	0.6
60.04521	0.7
69.03419	0.8
69.54446	2.2
69.54866	0.9
70.06583	1.2
71.42698	0.4
72.08147	1.5
72.47786	0.4
73.41770	0.4
74.06084	0.4
81.03445	0.6
82.48795	0.4
84.04498	1.1
84.08117	1.8
85.02893	1.6
86.09707	3.8
86.88915	0.4
87.10019	1.3
97.02892	0.6
98.20834	0.7
98.97565	1.2
98.98469	4.8
102.05515	1.0
107.04957	1.1
108.08125	1.0
109.08442	0.5
126.83939	0.4
127.03941	0.8
129.10236	0.6
132.08093	0.4
132.10205	0.9
152.07031	0.7
153.07364	0.5
159.09131	0.5
171.06340	1.2
184.04987	0.6
186.16809	0.5
207.75114	0.5
229.99420	0.4
234.98885	1.2
254.99896	0.6
273.09552	0.7
315.12747	0.9
333.11530	100.0
334.12018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05509	0.6
56.05023	0.5
57.03405	0.6
57.65255	0.4
62.60670	0.4
67.05499	0.5
69.03415	0.8
69.07085	0.6
70.06602	3.6
71.02851	0.7
71.03170	0.5
71.04974	0.6
72.08154	1.4
73.02909	0.4
74.06077	1.0
84.04545	1.0
84.08159	2.2
85.02897	0.8
86.09705	3.0
87.10027	0.9
91.05500	0.7
97.02888	0.7
98.97588	0.6
98.97816	0.5
98.98478	5.4
101.07129	0.5
107.04951	1.0
110.07151	0.8
110.09686	0.4
116.07177	0.4
116.77663	0.4
120.08096	1.8
122.91286	0.4
129.10236	1.6
130.06534	1.0
132.08037	0.6
137.05980	0.6
146.06021	0.8
159.09210	0.7
169.07600	1.1
171.09926	1.8
181.07591	0.5
185.07135	0.8
187.08607	0.6
187.14548	0.5
188.14799	1.1
191.05766	0.9
197.07106	2.9
223.08615	0.8
234.99100	0.5
242.62865	0.4
243.07610	1.2
252.59102	0.9
253.09740	0.6
269.09137	0.9
273.08716	0.9
297.08798	0.6
315.09879	2.8
315.13196	0.8
333.15186	100.0
333.61734	0.6
334.15436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1696
Annotation	Gibberellin A45
Peak:m/z	Relative Intensity
53.03936	1.9
55.01865	3.2
55.05508	21.8
57.03424	2.2
57.07065	2.2
59.18029	1.8
66.94260	1.7
67.05505	13.7
69.03426	3.4
69.07080	8.7
69.49709	14.4
71.04996	2.0
79.05493	12.1
81.03411	7.1
81.07053	16.8
83.04975	4.1
83.08601	6.8
85.02934	2.2
85.06535	1.9
91.05486	13.7
93.07050	9.2
95.04952	5.7
95.08611	15.9
97.06526	5.1
97.10161	5.2
97.30810	1.7
98.98462	20.6
103.05463	6.0
105.07018	12.6
107.04973	11.1
107.08584	6.8
109.02898	5.5
109.10132	5.1
111.08067	2.7
115.05468	10.0
117.07032	8.7
119.08598	5.3
121.06506	7.4
121.10167	3.4
123.04425	16.8
125.09647	2.9
127.03957	2.9
128.06224	2.6
129.06976	8.7
131.04930	14.0
131.08580	7.2
133.10124	5.0
135.08008	2.6
135.11714	2.5
137.05974	7.0
141.06966	5.8
143.04919	5.2
143.08592	3.4
145.06505	13.6
145.10162	3.4
147.04428	5.2
147.08051	2.1
147.11705	3.9
149.06015	15.2
149.09630	2.5
151.07556	4.2
153.05460	2.0
153.07004	6.0
155.04901	2.3
155.06119	1.8
155.08612	3.7
157.06493	6.5
157.10136	2.8
159.08049	8.3
159.11679	3.2
160.05162	3.4
161.05986	34.6
161.09651	2.3
163.03870	2.3
163.07556	7.6
165.07027	3.4
167.07083	6.6
167.08586	5.3
167.50378	1.8
169.06461	3.3
171.08060	6.5
173.05981	100.0
173.09659	3.8
174.06609	2.0
175.07512	13.6
176.98889	3.6
177.05519	3.5
181.06407	9.7
183.08054	5.0
185.06010	5.3
185.09615	3.1
187.07535	46.8
187.11125	2.7
188.07944	2.2
189.05443	8.3
189.09163	4.5
191.06955	2.2
193.12251	2.8
195.08128	4.7
197.05876	3.5
197.09665	2.6
199.07533	45.3
201.09096	7.7
203.07016	15.9
207.11763	2.6
209.09578	3.3
211.07590	5.7
213.09106	22.8
216.04179	2.4
225.09108	2.4
227.10724	5.6
243.13725	2.5
249.13055	2.6
251.14433	3.1
253.12204	3.5
259.06012	9.8
267.13669	4.2
269.15372	37.9
271.13177	2.1
273.07635	3.7
274.41266	1.9
279.14047	4.6
285.14807	6.8
287.16492	14.6
287.19385	2.9
289.14432	2.1
297.14853	9.8
315.15912	92.2
326.12076	1.9
333.11111	4.7
333.17319	17.2
333.53342	2.0
344.66351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.24391	2.0
53.03951	5.0
55.01887	2.2
55.05507	3.5
57.03440	9.0
57.07082	19.1
59.05011	15.2
61.02915	8.7
67.05510	10.4
69.03432	30.7
69.07067	12.4
70.99582	3.1
70.99912	4.1
71.05000	5.5
72.93687	1.9
73.02904	4.9
81.03417	12.1
81.07052	2.9
83.08644	5.8
85.02907	85.4
85.06538	16.6
86.09689	13.5
87.04430	2.7
87.10053	4.5
91.03957	6.4
91.05482	2.2
93.07055	6.6
95.04952	6.4
95.05524	2.2
95.08612	62.4
97.02892	29.0
97.06552	11.2
97.18594	1.9
98.98475	5.0
99.04418	3.0
99.08098	15.5
107.08597	11.6
109.02876	7.7
109.06548	12.5
109.10165	22.6
111.08092	10.2
113.09654	58.7
113.67808	2.0
119.08633	2.3
120.08221	1.8
127.03916	16.8
127.11198	49.2
135.11681	23.7
137.13242	2.1
145.04942	20.1
153.12747	100.0
155.14334	3.7
171.13818	54.2
171.15297	3.3
173.12878	2.7
174.13127	6.3
177.12854	2.7
185.73843	2.0
213.14880	4.1
231.11691	2.4
274.85242	2.3
301.11932	4.8
333.14178	2.8
333.18729	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75291	3.0
79.05446	0.8
81.07018	1.0
93.07005	0.7
97.06525	1.0
98.98466	2.5
105.06994	1.1
119.08566	0.7
133.10147	0.5
161.81090	0.6
199.04170	0.5
263.12601	0.5
273.41498	0.5
315.15817	0.6
333.20358	100.0
334.20789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.03423	2.1
58.36630	1.1
60.05755	0.9
66.67187	1.0
67.05494	3.3
69.07066	3.0
69.69838	7.1
79.05486	3.2
81.03418	1.5
81.07055	3.8
83.08623	2.1
91.05473	4.8
93.07043	2.2
95.08603	2.4
97.06528	3.8
98.21475	2.3
98.98471	4.5
105.07029	10.2
107.08630	1.3
109.06560	1.5
113.99039	1.0
116.81113	1.2
117.07032	1.9
117.09834	1.0
119.08615	4.2
121.10217	1.3
123.04448	2.4
129.06941	1.3
131.08545	2.9
133.10152	8.1
145.10136	1.5
147.11699	4.7
149.05939	1.7
157.10202	1.3
159.11688	2.7
173.13232	2.4
175.07579	1.8
193.04945	1.2
242.05853	1.5
247.13026	4.3
315.15955	2.8
315.19391	7.7
333.20395	100.0
333.24042	5.9
334.20679	2.7
352.96506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01869	0.9
55.05516	5.5
56.05019	1.3
57.03427	2.5
61.02922	3.1
61.11395	0.9
69.03435	5.6
69.84122	3.5
70.06581	1.7
71.04987	2.7
73.02902	1.1
74.06075	2.8
76.57819	0.8
79.05498	2.4
81.03412	2.8
81.07059	16.8
83.08631	6.5
84.08141	2.5
85.02364	1.3
85.02909	16.2
85.06537	3.4
86.09696	4.0
87.10054	1.2
91.03959	1.6
91.05455	1.2
93.07030	1.6
97.02885	6.4
98.06081	2.2
98.09681	3.3
99.08089	1.8
105.40099	0.9
107.04951	1.6
108.08108	3.8
109.02881	1.2
109.06524	16.8
110.06046	0.9
111.08050	1.0
112.07565	0.9
120.08121	3.0
126.09160	45.1
127.03910	3.1
127.07553	20.3
129.10234	0.9
130.08635	5.1
136.07559	1.4
137.05960	2.7
145.04970	2.4
154.08638	58.8
155.07037	36.5
172.09689	100.0
173.10100	1.0
175.10791	2.0
185.59108	1.0
198.27460	1.0
203.10260	1.2
238.33774	1.0
272.15860	1.1
296.07004	0.9
334.09164	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	334.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05517	0.7
56.05040	18.8
58.06598	1.3
58.99590	1.1
60.04522	0.5
61.01152	13.7
61.01461	0.9
65.73392	0.4
68.05045	0.8
69.03429	0.6
69.07085	0.6
69.82255	1.7
70.06593	7.2
71.05016	0.6
72.08157	2.5
73.33186	0.5
73.83092	0.4
74.06069	1.7
75.02737	0.5
76.02228	3.4
79.05508	0.9
82.06584	22.3
82.61248	0.5
84.04507	0.7
84.08156	1.9
86.09711	12.6
86.99081	0.6
87.10036	0.6
95.04972	0.8
104.05338	23.0
105.00089	1.8
107.04961	100.0
108.05275	0.8
110.06116	0.5
110.07127	0.8
116.07109	7.3
120.08105	6.8
122.02737	33.5
127.08687	87.9
129.10205	1.6
130.06905	2.7
132.10199	4.2
136.07555	1.1
138.05530	0.6
155.08150	1.0
157.03352	0.5
157.13353	0.5
167.05438	0.5
169.13440	0.6
170.11754	0.8
171.12172	0.7
175.09013	48.0
186.05852	1.4
191.11819	2.2
198.11292	0.5
203.08504	14.3
215.13840	1.0
219.11420	0.5
228.06888	6.0
263.14224	4.8
348.14050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05498	3.8
56.05037	17.5
57.03446	1.5
58.06592	9.2
61.02908	2.7
68.05040	2.9
69.03423	5.6
69.07052	1.7
69.69472	6.6
70.06597	13.6
71.04974	1.7
71.92999	1.5
72.04519	2.7
72.08172	1.2
72.93778	1.4
73.02929	1.5
73.05291	2.6
74.06081	87.5
79.05501	2.6
81.03418	3.2
81.07057	13.8
82.06550	1.3
83.08618	3.7
84.04508	13.7
84.08140	6.2
85.02908	10.4
85.06513	2.0
85.38298	1.1
86.06069	4.1
86.09709	31.6
90.94812	1.8
91.05425	1.3
93.07085	1.1
95.05003	1.5
97.02890	4.7
98.06056	3.5
98.20775	1.3
98.97590	2.5
98.98471	1.4
99.08107	1.2
101.07121	2.3
102.05505	1.3
107.04929	2.3
108.08116	1.9
109.02906	1.5
109.06527	9.5
112.03928	1.5
112.07613	33.9
112.11253	2.9
113.07114	4.6
115.08714	2.6
116.07108	1.8
120.08112	3.7
124.07581	2.3
124.11263	1.5
126.09158	22.2
127.03932	1.6
127.07579	9.5
129.10225	2.5
130.05031	1.6
130.08650	100.0
132.10213	13.8
133.24149	1.4
136.07530	1.4
137.05930	1.9
139.08687	1.8
140.07053	3.7
141.06589	4.0
141.13843	1.7
154.08641	33.6
155.07050	21.2
157.09731	19.9
158.11816	2.3
159.07661	7.9
169.13351	3.3
172.09697	55.4
175.10791	62.0
185.09258	7.4
187.14392	5.5
197.12898	1.9
203.10268	60.0
208.99699	1.2
215.13945	4.6
220.89839	1.3
232.03873	1.1
233.14977	20.7
233.87401	1.2
234.99043	8.2
237.02904	1.3
243.13506	1.5
260.03433	3.1
272.16064	26.2
285.48734	1.2
285.90057	1.5
316.18646	4.9
334.15222	1.4
334.19403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.52391	4.7
69.85671	24.8
69.85965	8.3
85.02869	4.9
98.21496	8.2
103.73888	4.6
113.69333	5.0
142.28079	4.7
215.10991	4.9
220.77846	4.7
221.50523	4.5
310.80914	4.5
334.52307	5.7
335.07437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67281	3.6
65.52474	3.9
67.05483	9.2
69.03433	5.5
69.07066	4.6
70.73666	4.0
71.47890	7.6
75.10204	3.5
79.05495	8.0
81.03419	5.9
81.07057	11.5
84.08119	6.8
85.02898	4.6
85.06566	6.4
86.09708	6.1
91.05460	7.1
93.07034	8.5
95.08619	10.8
97.02863	3.9
103.05476	37.3
105.07038	6.9
107.04964	10.7
107.08585	8.3
119.08556	8.7
120.08086	4.0
127.03954	7.0
131.03946	5.6
131.04932	100.0
132.05283	3.8
145.10123	5.1
157.10159	5.6
173.13332	4.9
217.08968	3.7
335.08969	7.8
335.12668	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	335.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05509	0.5
56.05041	0.7
57.07075	0.8
58.06600	1.0
60.04517	0.6
67.05501	1.0
69.03431	2.6
69.07053	0.8
69.27856	2.8
71.04995	0.5
71.08635	0.3
72.08155	0.7
74.06085	0.5
77.03914	0.4
79.05504	0.6
81.03423	2.7
81.07067	1.2
84.08141	1.0
85.02901	1.4
85.03467	0.3
86.06045	0.5
88.07639	5.8
89.07955	0.8
91.05475	0.6
93.07047	0.6
95.04975	0.6
95.08608	0.8
95.13193	0.3
96.29324	0.4
97.02894	2.9
99.04456	0.6
103.05471	34.5
104.05801	0.4
104.07108	0.7
105.07024	0.7
107.04971	0.8
107.08631	0.6
109.02360	0.3
109.02913	3.1
109.06506	0.3
117.07069	0.4
119.08557	0.5
121.10142	0.5
127.03925	1.9
131.04935	100.0
132.05263	0.6
132.10222	1.3
133.10193	0.5
135.11620	0.3
145.06480	0.3
145.10167	0.3
147.11679	0.3
149.05983	0.5
159.11765	0.5
187.05911	0.4
237.48172	0.4
242.24817	2.7
243.20903	0.4
243.25165	3.8
267.53867	0.3
268.23419	0.3
275.09070	1.2
278.91113	0.3
286.27423	0.7
287.27682	1.5
293.07922	0.4
334.29507	7.1
335.12823	1.9
335.26215	0.7
335.29828	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	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03935	1.4
54.53761	0.3
55.05504	0.4
56.77089	0.3
57.03433	0.7
57.07066	1.3
63.55884	0.3
67.05475	0.8
67.21765	0.4
69.03432	3.6
69.07054	0.7
70.34591	0.3
71.04980	0.9
71.48775	0.6
77.03900	0.7
80.19096	0.4
81.03414	3.6
81.07046	1.6
83.04964	0.5
83.08627	0.4
83.44678	0.4
84.04482	0.6
85.02906	3.4
85.06545	2.5
91.05489	0.7
93.07053	1.3
95.04957	1.1
95.08609	1.0
95.82309	0.3
97.02886	2.3
99.04462	1.1
103.05467	36.1
105.07032	1.0
107.04948	1.0
107.08605	0.8
109.02882	3.1
109.10161	0.6
119.08606	0.5
121.10168	0.4
123.08064	0.4
127.03927	3.9
127.07504	0.4
129.06976	0.4
129.59483	0.4
131.04930	100.0
132.05234	1.9
133.10098	0.5
143.08534	0.5
145.05009	0.4
145.08620	0.8
147.07930	0.4
149.06000	0.8
155.08614	0.5
157.10199	0.5
159.11676	0.5
187.06081	0.4
240.24049	0.4
245.09726	0.4
255.10236	0.4
259.04514	0.4
275.09152	0.6
282.89407	0.4
289.15912	0.4
299.15894	0.4
335.09106	0.5
335.12704	0.8
335.16327	0.8
344.20624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
57.55086	0.3
67.01835	0.3
69.03439	1.7
70.53513	0.5
71.04984	0.4
77.03912	0.8
81.03424	3.0
85.02898	1.3
91.79320	0.3
95.04959	0.8
97.02900	2.8
99.04438	0.9
102.04657	0.3
103.05473	37.0
104.05816	0.3
109.02879	2.9
117.80807	0.3
127.03934	1.9
131.04935	100.0
132.05260	1.3
181.66116	0.3
182.27875	0.3
209.82428	0.3
241.33148	0.3
275.09174	1.2
310.31726	0.3
335.11917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.99562	1.0
56.05013	1.1
56.96565	11.4
57.03431	1.1
61.02927	1.5
61.54086	0.9
69.03429	4.3
70.09930	1.0
70.10264	3.2
70.98119	5.6
70.99873	1.6
73.02926	1.4
81.03429	1.6
81.15794	1.0
82.99832	6.4
84.08133	3.5
85.02917	6.4
85.21188	0.8
86.09711	1.4
88.99126	2.0
91.05458	1.3
94.99856	1.5
95.38720	0.9
97.02891	4.3
97.24281	1.1
98.97589	17.6
100.99102	1.1
101.00885	29.8
103.02471	1.2
107.04962	14.9
108.05295	3.1
108.08048	1.4
109.02843	1.4
110.97585	6.8
113.00149	1.1
113.00883	12.4
115.02432	5.3
116.98625	4.4
119.01927	17.7
120.08127	3.1
121.40115	1.0
127.02422	2.6
127.03941	1.8
128.98630	6.7
129.04079	1.5
129.10225	2.2
131.01923	14.8
131.05550	9.9
133.03410	2.0
137.00864	3.4
137.02866	1.2
138.01620	1.2
143.01909	100.0
144.02032	1.1
145.03476	5.1
146.99654	3.8
147.01450	1.4
147.05115	1.8
149.02914	1.1
149.06654	5.3
151.25928	1.1
154.96507	3.3
155.01903	28.7
155.05559	4.8
156.02705	2.5
157.03487	3.3
158.53073	1.1
158.99657	4.5
159.05083	4.0
161.02971	58.3
165.00708	1.0
167.05618	1.6
169.07199	1.6
170.99693	1.8
171.05002	2.0
172.97549	6.7
173.01408	1.4
173.02974	15.1
173.06618	27.4
177.00648	2.1
177.06049	2.8
179.01981	1.0
182.85155	1.0
184.04555	1.3
185.02928	3.0
185.06610	27.1
185.08215	1.9
187.08165	3.9
189.00763	1.0
190.98615	6.6
191.07651	3.8
197.06622	2.9
199.08121	2.2
201.00661	2.0
201.06129	1.1
203.04036	13.5
203.07657	10.9
205.00197	2.2
208.99736	1.0
209.06689	1.9
214.98726	1.9
215.05768	1.2
215.07687	13.3
217.09291	1.2
218.98183	1.6
219.01736	6.2
221.05083	16.0
223.01216	1.9
227.07634	2.0
232.99727	6.0
233.08669	2.1
237.02708	4.6
244.55962	1.7
245.05011	3.7
251.00711	2.1
253.06618	0.9
257.08765	6.0
261.02789	1.2
263.06296	1.3
275.00723	3.0
275.09781	32.6
293.01971	2.2
293.10831	75.5
316.12811	1.1
317.01633	1.0
323.52203	1.3
335.11835	42.7
336.11948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87995	1.7
53.03934	2.6
55.01855	2.3
55.05521	12.3
57.03422	6.3
57.07081	44.5
61.02929	8.1
67.05498	1.6
69.03430	46.7
70.06588	3.5
70.68974	1.6
71.01349	5.6
71.05003	2.4
71.48619	2.0
73.02926	1.6
78.21896	1.6
79.05465	1.8
81.03424	8.7
81.07056	3.1
82.06583	11.1
83.08643	7.3
85.02908	100.0
85.06547	99.4
86.09690	2.5
91.05460	1.5
93.07043	2.4
95.08594	1.8
97.02312	2.1
97.02895	32.8
99.04457	4.0
100.11263	65.7
101.02364	2.1
107.04954	26.3
107.08594	2.3
109.02870	3.6
109.06518	3.5
110.06046	6.3
117.13892	2.4
120.08096	2.3
123.08036	1.7
127.03927	33.7
127.07577	12.8
127.08566	2.5
137.05968	1.8
139.08691	5.1
145.05019	7.0
145.08606	65.0
155.07008	1.5
173.13191	1.4
209.16525	19.0
210.14952	1.8
224.74724	1.4
226.19125	20.6
237.00725	2.0
269.14340	1.5
270.21140	1.4
271.11285	1.9
317.11487	2.5
335.12625	5.8
335.18378	2.3
335.24313	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	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
57.03424	8.2
57.07079	41.1
61.02908	7.2
69.03090	3.3
69.03434	43.9
71.01353	5.7
71.18426	5.0
78.52729	2.1
81.03411	9.6
81.07052	5.1
84.08127	3.3
85.02387	4.2
85.02905	99.1
85.06546	100.0
88.78773	2.0
91.05454	5.8
97.02895	56.4
99.04467	5.6
101.02396	2.6
107.04957	6.3
109.02868	8.0
109.06511	3.9
116.52813	2.4
116.69437	2.1
121.96850	2.2
127.02992	3.0
127.03926	49.0
127.07531	17.0
127.19116	2.3
129.07013	2.3
131.08485	2.3
136.07578	4.2
137.05980	3.9
143.08583	3.3
145.04944	8.6
145.08607	72.0
155.07117	3.7
164.07045	5.0
214.08633	4.1
267.83521	2.2
317.11572	3.3
317.84241	2.4
335.12500	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	335.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21491	1.0
51.25283	1.1
52.18792	1.3
53.03942	3.1
55.01867	3.5
55.05510	1.5
57.03428	4.9
57.07078	34.2
57.51734	1.0
61.02945	2.1
67.05501	2.4
69.03433	30.8
69.33150	1.1
69.93161	1.7
70.06580	1.9
71.01349	4.6
71.04985	2.7
71.47881	1.1
71.48357	1.3
73.02908	2.5
79.05485	1.3
81.03430	15.9
81.07053	4.9
85.02911	39.5
85.06549	71.3
86.09720	2.8
87.04450	2.5
91.05483	1.8
93.07065	2.5
95.04970	1.9
97.02898	100.0
99.04465	9.1
105.07043	1.2
107.04961	5.6
109.02886	25.1
109.06512	3.4
115.03942	2.8
115.50237	1.1
117.05489	1.1
119.08586	1.5
120.08110	4.3
127.03928	36.4
127.07619	5.7
131.08607	2.1
133.06474	1.2
135.08089	1.4
137.05983	1.8
145.04976	12.3
145.08614	31.7
149.09634	1.2
155.07024	2.3
162.05528	1.3
187.06030	2.5
215.08209	1.8
258.78503	1.1
271.11554	3.2
299.10486	3.7
317.11420	2.5
335.09091	1.3
335.12546	2.7
335.18668	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	4.5
55.05513	15.2
57.03439	25.4
57.07058	3.5
57.72017	1.4
65.03912	1.8
67.05509	79.6
69.07069	15.8
70.31448	3.0
70.31838	2.9
71.05003	1.8
74.61010	1.4
79.05495	44.9
81.07057	76.5
83.04968	1.8
83.08618	9.7
87.50396	1.5
91.05489	22.5
93.06494	2.5
93.07050	49.0
95.04968	2.5
95.08609	68.8
97.06541	2.5
97.10137	2.9
105.07030	13.9
107.08594	26.0
109.10161	24.3
111.08106	1.9
117.06988	5.2
119.08591	13.2
121.10162	22.4
123.08086	2.1
123.11707	10.0
129.05499	3.4
131.08589	9.8
133.10126	10.6
135.11690	16.4
137.09596	1.7
137.13258	3.8
145.10112	8.4
147.11670	6.0
149.13248	10.0
159.11702	6.0
161.13248	7.0
163.14815	5.4
165.12622	1.6
173.13206	7.5
177.16422	2.6
187.14873	4.2
190.82368	1.5
199.04756	1.5
201.16434	1.9
243.21141	12.6
261.22180	15.4
291.23093	1.4
317.24643	4.1
335.25793	100.0
336.26434	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.49831	1.3
52.19241	1.2
52.67229	1.3
53.03944	3.0
55.01855	2.2
55.05511	19.3
57.03203	2.0
57.03440	23.1
57.07055	2.4
59.78311	1.3
64.71455	1.3
65.03926	4.4
67.05508	81.9
67.14050	1.4
69.07071	19.4
70.18602	2.5
70.19009	3.4
75.99689	1.4
77.03959	1.5
79.05025	2.0
79.05494	43.5
81.07056	68.9
81.07536	3.3
83.08613	8.8
85.06543	2.0
91.05489	19.7
93.07049	49.3
95.04971	3.4
95.08610	58.0
97.06509	3.1
97.10155	3.3
98.21394	1.8
98.98448	2.8
105.07043	12.5
107.08597	23.8
109.10161	25.8
113.61069	1.4
117.07009	6.0
119.08590	10.3
121.10140	16.6
123.11704	9.7
131.08606	7.0
133.10129	8.0
135.11682	13.0
137.09546	1.4
137.13184	2.5
145.10100	6.6
145.59947	1.8
147.11676	6.5
149.13274	8.4
159.11702	4.9
161.13295	4.1
163.14827	4.0
173.13283	3.4
175.14735	1.9
175.36253	1.4
177.16379	1.7
187.14836	2.4
211.90105	1.5
243.21021	5.9
261.22107	9.2
272.58441	1.3
317.24591	1.6
335.25793	100.0
336.26215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01855	5.5
55.05515	14.2
57.03440	16.0
57.07069	6.3
67.05506	54.4
69.03423	6.0
69.07073	13.5
71.47952	4.2
79.05502	34.5
81.03418	8.4
81.07056	59.5
83.08603	6.5
84.08134	5.9
85.02885	3.9
85.06527	4.6
86.19685	2.1
91.05481	21.8
93.07043	47.3
95.04972	5.9
95.08611	48.8
97.02898	3.7
97.06504	3.1
99.04404	2.5
103.03929	3.2
103.05465	35.0
105.07046	16.4
107.04979	6.7
107.08593	24.7
109.02860	4.7
109.06522	3.6
109.10149	19.6
113.19236	2.7
117.07027	7.4
119.08554	13.6
121.10155	24.2
123.08067	4.1
123.11688	5.2
127.03960	3.9
129.05498	10.8
129.06912	2.7
131.04933	100.0
131.08568	12.4
133.10133	11.5
135.11705	15.2
137.05960	2.5
137.09604	2.7
137.13271	3.3
143.08493	2.2
145.10110	14.3
147.11708	6.7
147.65102	2.4
149.09590	4.4
149.13271	4.6
155.07016	3.0
159.11746	5.3
161.13229	5.1
163.11179	3.5
163.14854	4.6
173.13243	6.0
177.16351	3.8
217.19672	4.6
243.21082	15.5
261.22113	13.7
275.20374	2.3
317.24872	2.7
335.08932	4.1
335.12646	5.5
335.25854	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
56.05016	1.7
56.63775	1.0
60.04518	4.1
67.05514	2.4
69.03425	2.5
70.03770	1.4
70.06595	13.7
70.96444	2.2
71.04980	1.9
72.08159	84.9
79.05488	2.2
81.07068	1.8
82.97821	1.0
84.08156	7.0
86.09711	39.6
91.05488	1.6
93.07051	2.0
95.04964	1.3
95.08624	1.8
97.02909	2.2
97.06533	2.2
97.92746	1.2
100.07638	1.2
103.05461	3.4
105.07053	1.5
106.40868	1.2
107.04950	4.7
107.08620	2.5
109.10129	1.2
113.40900	1.0
119.08640	2.7
120.08113	100.0
121.10164	2.4
129.10240	2.1
130.06535	1.4
130.08598	1.3
132.08116	3.5
133.10167	2.0
143.11804	58.3
144.08054	1.6
149.09630	1.3
159.09171	4.7
166.08647	11.7
170.06041	3.6
171.11296	22.8
174.13635	2.1
176.33267	1.3
180.06548	1.4
188.07111	1.2
191.11833	2.6
223.10791	8.8
233.16496	21.2
261.15933	4.4
265.15320	2.0
319.11121	3.6
336.19025	7.1
337.62030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
53.97122	0.4
57.07065	1.2
60.04520	2.3
63.71067	0.5
67.05508	1.2
69.03428	0.7
69.07043	0.5
70.06207	0.5
70.06595	8.3
71.48280	0.6
72.08152	0.7
75.05595	0.4
84.08144	1.8
85.02924	0.6
85.06539	2.1
86.03256	0.5
86.06823	0.8
86.09709	17.5
86.20353	0.5
91.05482	1.1
93.07040	1.1
95.04988	0.6
95.08566	0.5
97.02892	1.5
103.05436	2.1
107.04967	1.6
112.07626	0.9
120.08108	100.0
121.08462	1.1
127.03941	0.7
127.07563	0.5
127.08494	0.4
129.10268	0.6
132.10229	5.1
143.11801	2.8
145.08578	0.9
146.09001	0.6
171.11348	0.5
173.12939	1.0
177.10236	40.4
185.15669	0.4
189.12570	0.6
205.09714	9.0
205.11496	0.8
242.18806	0.5
279.17136	1.2
292.13904	0.6
320.63010	0.5
336.16098	1.0
337.11102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
52.43102	1.2
71.33834	2.3
71.34166	1.9
74.27348	1.3
100.21601	1.6
101.00854	2.3
113.00906	1.5
115.36794	1.4
116.08630	1.7
127.02393	2.4
145.03441	1.9
157.03459	2.9
217.01851	3.4
337.08838	100.0
338.09113	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	337.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01865	2.9
55.05500	1.8
63.05687	1.3
67.05493	4.6
69.03420	4.4
69.07067	2.1
71.04984	4.7
71.09155	1.5
71.09492	2.2
79.05499	9.2
80.91728	1.1
81.07043	3.8
83.04995	1.5
87.00809	1.4
90.99776	1.3
91.05490	14.3
93.07080	7.9
95.04966	5.3
95.08579	3.0
99.04465	6.5
103.05463	3.7
105.07040	78.4
107.04950	4.0
107.08583	4.9
109.06503	2.7
113.06025	1.1
115.05423	3.3
117.07034	15.6
119.04927	2.8
119.08591	11.1
121.06487	7.5
121.10101	1.6
125.03597	1.1
128.06207	4.1
129.07050	9.0
130.07808	9.3
131.04907	1.8
131.08580	18.8
133.06511	14.1
133.10143	19.2
141.06993	3.5
143.08556	7.5
144.05707	1.6
144.09349	7.8
145.06448	4.4
145.10135	100.0
147.04521	1.2
147.08070	2.2
147.11656	3.5
148.19011	1.1
149.05954	3.7
151.03978	1.2
151.07578	1.7
154.07797	2.9
157.10115	4.8
158.07280	3.5
159.08052	3.9
159.11708	44.9
161.09628	1.7
161.13219	1.7
163.07564	1.8
163.11148	1.5
169.10124	8.3
171.11691	1.6
172.08800	3.9
173.09604	14.6
175.07549	1.3
179.08571	1.6
182.07335	1.3
187.07607	1.5
187.11194	38.4
189.12738	4.5
191.10703	3.1
197.09634	3.6
205.12254	30.0
215.10687	38.9
233.11736	13.7
308.86038	1.1
337.10843	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	337.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01870	2.2
55.05491	2.3
57.03424	1.9
67.05505	10.7
69.03420	3.8
69.07041	2.8
71.04990	3.3
71.48449	1.8
79.05505	10.4
81.07059	7.4
83.08620	2.4
91.05475	14.5
93.07047	7.7
95.04963	7.3
95.08598	4.8
99.04440	8.1
103.05466	4.0
105.07033	75.6
107.04951	6.5
107.08583	4.6
109.10138	2.1
115.05443	3.7
116.06214	1.7
117.07014	16.6
119.08566	10.4
121.06529	4.3
121.10096	1.7
123.08070	1.6
128.06224	4.2
129.07010	8.9
130.07826	8.7
131.04901	1.6
131.08565	21.1
133.06506	17.5
133.10141	17.7
135.11696	3.5
137.05881	2.1
139.07466	1.4
141.06960	4.1
142.07782	2.3
143.08554	11.0
144.08327	1.4
144.09328	8.0
144.59473	1.3
145.06500	4.6
145.10126	100.0
146.10527	1.5
147.11694	4.3
149.05983	4.3
154.07813	2.6
155.08585	1.8
157.06419	1.9
157.10138	5.1
158.07275	5.1
159.08083	4.1
159.11699	42.9
160.12016	1.9
161.09628	3.7
161.13351	1.6
163.07498	3.0
163.11215	3.0
169.10110	9.5
171.11592	3.0
172.08881	2.9
173.09628	13.6
179.08588	2.0
187.11191	43.0
189.12741	5.9
191.10631	2.7
197.09615	5.7
198.06557	1.5
205.12233	31.6
215.10678	43.8
229.08528	3.0
233.11717	14.7
257.08075	4.4
290.09232	3.1
291.13916	1.7
295.09683	1.6
308.10413	2.5
309.14896	3.1
319.13275	6.6
337.10690	2.3
337.14319	14.0
337.19916	2.7
337.25311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03934	7.3
55.01876	4.4
55.05514	20.3
57.03444	4.0
57.07058	9.2
57.55241	2.8
59.04993	7.6
67.05507	43.9
69.03429	22.1
69.07066	33.9
70.06581	16.0
71.04993	27.4
71.47923	3.9
73.06542	2.5
79.05495	37.7
81.03418	2.6
81.06596	4.1
81.07056	79.5
83.04978	15.5
83.08601	2.7
84.04489	9.2
85.02908	3.3
85.06518	7.2
85.21626	2.7
87.04446	2.6
91.05475	35.3
93.07043	100.0
95.04972	22.6
95.08607	71.9
97.06529	18.9
97.10158	6.5
99.04457	2.8
99.08111	5.1
105.07029	60.6
106.81002	2.4
107.04936	16.1
107.08602	56.5
109.06519	26.2
109.10149	51.7
111.08084	15.3
116.43052	2.2
117.07012	15.3
119.08586	51.2
119.23325	2.4
119.24361	2.2
121.06512	18.2
121.10148	64.4
123.08089	17.4
123.11702	25.0
124.07604	2.5
125.06026	4.1
125.09633	15.6
125.72923	2.6
127.07594	2.9
127.11228	3.0
128.06236	2.5
129.07011	7.5
130.05000	5.1
130.07788	4.2
131.08565	24.3
133.06482	6.0
133.10138	23.3
135.08020	12.3
135.11690	42.0
137.06029	4.8
137.09619	64.9
137.13255	4.9
139.07655	5.2
139.11192	17.7
142.03223	2.8
142.07767	5.2
143.08553	11.8
145.06491	6.0
145.09042	4.5
145.10120	40.6
147.08023	8.4
147.11687	11.1
147.24319	2.5
149.09601	9.7
149.13184	4.0
150.05536	3.9
151.11174	12.8
153.09120	2.8
153.12740	14.6
155.08577	5.1
155.10614	6.8
157.09012	2.7
157.10107	14.9
159.08028	4.3
159.11684	24.8
161.09674	13.4
161.13260	5.8
163.11211	12.1
165.09143	2.5
165.12766	4.8
167.10654	5.4
169.10147	6.5
171.11665	9.3
173.09589	12.0
173.13231	10.3
175.11209	5.0
175.14847	5.6
177.12691	3.8
179.08449	3.4
179.10710	8.0
179.14383	4.4
181.12267	18.1
183.11745	4.1
185.13257	8.0
187.11183	13.2
187.14755	10.2
189.12831	5.6
189.16354	3.4
193.12234	5.7
197.13301	6.0
199.14850	7.8
203.14391	5.4
205.12265	4.7
205.15852	5.5
209.13187	2.8
211.14958	4.1
213.16379	6.1
215.10660	11.3
215.14386	12.5
217.15936	3.3
220.12004	3.2
231.17422	5.5
233.11714	4.0
233.15353	23.1
235.16853	3.5
249.18396	3.1
265.19708	3.3
283.07239	2.8
283.20471	10.8
291.23196	2.6
301.21585	21.1
319.12720	2.9
319.22684	39.6
337.10629	16.8
337.14359	4.8
337.23721	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
53.04177	0.9
55.01880	1.9
55.05513	41.7
55.40516	0.9
57.03162	1.6
57.03440	26.1
57.07081	6.1
65.03934	3.3
67.05508	85.8
69.07070	50.4
69.68159	4.4
71.04984	2.2
71.08630	2.8
71.76691	0.9
78.24703	0.8
79.05493	22.5
81.03415	1.3
81.07058	82.6
83.04969	2.6
83.08160	1.6
83.08622	23.7
85.06542	1.8
85.10220	1.1
87.58768	0.8
90.00581	0.8
91.05489	14.9
93.06483	1.8
93.07046	23.1
94.45427	0.9
95.04935	1.6
95.08611	60.9
96.08923	1.4
97.06516	4.6
97.10177	11.5
99.08087	1.4
105.07030	12.2
105.59607	0.9
106.74342	1.0
107.08605	10.3
109.06462	0.9
109.10154	23.7
109.16600	1.1
109.66326	0.9
111.08083	2.0
111.11717	3.1
113.09647	1.6
118.81090	0.9
119.08590	8.1
121.10152	6.3
123.08070	1.2
123.11703	11.5
125.09621	2.2
131.08640	1.1
133.10147	7.9
135.11700	5.6
137.09625	1.4
137.13249	3.3
139.11195	1.0
147.11710	6.6
149.13252	3.6
151.11084	1.1
151.14813	1.6
153.12830	1.4
161.13281	3.7
163.14833	2.3
165.12738	1.3
175.14850	2.3
177.16315	1.0
189.16464	1.3
207.92926	0.8
209.58009	1.0
230.06445	1.0
232.46243	0.9
245.22765	1.7
263.23718	4.6
337.27374	100.0
338.27667	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	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	3.5
55.01857	1.5
55.05515	46.1
56.73093	1.2
57.03162	1.3
57.03439	26.5
57.07079	5.8
63.00261	1.3
65.03923	2.4
67.05509	90.6
68.05822	1.4
69.07070	56.9
70.60632	2.8
70.60959	1.3
71.04977	1.3
71.08630	2.6
74.49970	1.2
79.05502	24.1
80.93575	1.3
81.07059	87.3
83.04964	3.3
83.08627	23.1
85.06578	2.7
85.10134	1.6
91.05485	15.4
93.07043	26.1
95.04974	1.5
95.08614	60.3
97.06517	6.6
97.10179	12.1
99.08075	2.2
105.07039	9.7
107.08590	12.0
109.06554	1.5
109.10164	23.9
111.08107	1.7
111.11716	3.6
119.08601	9.6
121.10131	10.9
123.08091	1.3
123.11693	10.4
133.10118	9.3
135.11700	5.6
137.09651	1.9
137.13258	3.5
147.11723	5.7
149.13275	3.3
151.14845	1.4
152.92972	1.2
160.85268	1.1
161.13280	5.2
163.14845	3.5
175.14879	2.8
245.22739	2.6
263.23834	2.7
337.27393	100.0
338.27823	1.8
344.16458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	2.8
55.05515	37.0
57.03443	21.2
57.07066	5.5
65.03929	4.0
67.05508	75.4
69.07072	40.5
70.83353	2.5
71.04983	2.2
71.08614	3.0
79.05497	23.4
81.07060	78.3
83.04983	2.1
83.08624	23.6
85.06543	2.5
91.05492	12.6
93.07050	22.7
94.13558	1.0
95.04948	1.5
95.08611	64.3
97.06533	4.9
97.10184	12.4
99.08070	1.6
105.07048	8.2
107.08601	10.0
109.06520	1.3
109.10164	27.0
111.08080	2.5
111.11711	2.4
113.09693	1.4
119.08582	8.0
121.10148	10.3
123.11722	11.1
125.09634	2.0
133.10132	7.9
135.11725	4.9
137.09596	2.1
137.13257	4.9
139.11177	1.5
147.11731	4.9
149.13245	4.0
151.14799	3.2
161.13210	4.7
163.14767	3.7
175.14780	3.7
189.16309	1.0
203.17879	1.0
219.21080	1.3
245.22711	5.5
259.77057	0.9
263.23715	8.4
337.27380	100.0
338.27701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.0
53.36596	1.5
55.01863	4.7
55.05509	22.6
56.53737	1.6
57.07080	12.0
67.05508	35.9
69.03407	4.9
69.07072	46.0
71.04998	8.5
71.08648	8.2
71.47807	2.8
74.23226	1.7
79.05496	19.7
81.03421	1.9
81.07059	100.0
83.04981	5.2
83.08620	18.6
85.06545	11.7
85.10151	2.0
88.17603	1.7
91.05470	16.0
92.75785	1.8
93.07052	47.9
95.04971	8.4
95.08610	79.1
97.06538	11.0
97.07059	1.9
97.10155	7.1
99.04468	11.9
101.06026	3.7
103.05434	3.4
105.07034	55.9
107.04948	8.9
107.07880	3.2
107.08596	51.1
109.06525	15.6
109.10164	53.8
111.08080	5.9
111.11707	4.2
113.05960	2.2
114.20555	1.7
115.05422	2.4
117.07014	9.1
119.04965	1.9
119.08587	19.9
120.08068	2.9
121.06527	6.9
121.10149	29.0
123.08056	9.2
123.11693	36.3
127.07531	8.7
128.06201	2.6
129.07002	5.7
130.07799	3.7
131.04968	2.2
131.08548	15.1
133.06505	6.6
133.10139	29.4
135.08012	5.5
135.11710	30.9
137.05978	4.3
137.09607	6.5
137.13249	24.8
139.07518	3.0
143.08572	7.5
144.09320	7.9
145.06456	5.9
145.10126	45.4
147.08026	3.2
147.11707	18.9
149.05948	1.8
149.09721	3.7
149.13255	23.2
151.11185	32.2
151.14793	3.3
153.09084	3.8
153.12735	3.3
154.07771	3.0
157.10109	6.1
158.07285	4.6
159.08051	3.7
159.11717	26.3
161.09622	4.1
161.13237	6.8
163.11208	5.9
163.14836	5.7
165.12766	4.7
167.10690	2.3
167.14359	3.4
169.10020	3.8
171.11668	3.6
172.08905	2.6
173.09665	11.4
173.13200	2.8
175.11201	5.1
175.14842	3.5
177.12726	6.0
177.16394	4.7
179.08540	2.3
179.10733	6.5
179.17873	3.3
181.12242	7.4
187.11209	24.5
187.14842	1.8
189.12791	6.4
191.10658	1.9
191.17923	5.2
193.12241	6.9
195.13835	7.0
197.09673	4.6
199.14880	2.2
203.18047	4.1
205.12277	14.3
205.19536	7.1
207.13860	5.5
209.15277	2.8
213.16542	2.0
215.10687	21.8
215.12549	3.4
223.16736	1.9
227.18054	2.2
231.17334	3.1
233.11728	9.9
249.18472	4.3
259.24442	2.1
263.20132	4.4
277.08719	2.4
283.24139	4.3
291.26688	2.3
301.25290	7.5
305.08017	2.5
319.26340	45.5
337.10638	7.1
337.14206	2.2
337.27441	26.3
339.55243	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	338.269
Annotation	Melophlin I
Peak:m/z	Relative Intensity
51.12435	1.2
52.14891	1.3
53.03941	2.8
53.81101	1.4
55.01863	4.9
55.05511	11.2
57.03420	3.4
57.07062	2.9
62.06092	100.0
67.05510	19.1
69.07071	11.9
70.18468	4.3
71.04993	1.3
71.08634	13.9
79.05490	14.7
81.03381	1.5
81.07062	22.6
82.07407	2.0
83.04993	4.3
83.08618	6.8
85.06497	1.6
91.05486	10.7
91.32564	1.4
93.07061	17.2
95.04951	2.1
95.08605	14.5
97.06531	7.4
97.10200	1.3
98.06062	4.1
99.08085	7.1
105.07041	10.4
106.16741	1.6
107.04948	2.6
107.08591	7.0
109.06498	1.9
109.10149	6.0
111.08118	2.6
117.07028	3.0
119.08569	10.2
119.53127	1.3
121.10158	6.6
123.11658	1.5
125.75873	1.3
131.08585	3.3
133.10115	6.5
135.08069	2.4
135.11694	5.7
137.09642	1.6
139.11253	2.1
145.10175	3.3
147.11693	5.7
151.11140	3.0
161.13246	5.0
165.12747	2.0
175.14755	2.6
179.14325	5.9
197.09612	1.7
222.18605	9.0
224.20146	1.8
231.20879	1.7
235.73302	1.4
236.16484	3.3
240.19566	14.0
241.19724	2.0
254.17531	2.5
259.20602	3.6
277.21658	5.9
292.51236	1.4
320.25876	91.9
321.24332	4.4
338.23975	2.1
338.26993	18.8
338.33676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1554
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
53.03930	1.9
55.01873	1.6
55.27991	1.2
56.96555	2.3
60.04504	3.9
61.02916	1.4
64.40704	1.2
69.03423	3.9
70.06596	10.7
71.47940	1.6
72.08151	8.8
79.05500	1.5
81.03413	2.4
84.04481	4.0
84.08150	7.6
85.02895	9.3
86.09710	8.1
87.00819	1.5
87.10024	1.3
90.04827	1.4
91.05479	2.6
95.04987	1.3
97.02877	4.4
98.97573	6.9
99.04463	1.6
105.01818	1.5
107.04961	7.3
108.08123	3.1
110.06036	1.2
110.07148	3.0
112.08701	2.0
115.19283	1.2
116.07018	1.5
116.98634	2.8
120.08101	6.5
122.06057	3.2
123.04423	3.0
124.07528	1.4
125.93275	1.2
127.03914	3.1
128.98567	2.0
129.10236	2.4
129.54692	1.3
136.07581	15.9
137.05966	2.4
138.05473	1.4
143.11755	1.9
145.02733	1.5
152.07031	2.6
158.99649	1.6
159.09138	5.1
160.07533	1.3
161.05891	2.2
164.07080	7.2
177.00650	1.7
177.05338	2.9
177.06622	5.3
177.10248	4.3
185.10684	1.3
187.12277	2.3
188.13025	1.5
189.10196	1.7
191.47705	1.6
201.10287	2.6
202.10986	2.9
207.11314	14.0
213.10222	2.6
214.11014	2.4
215.11801	2.7
219.01779	2.6
219.11317	4.9
220.12086	2.0
221.12747	2.0
229.13396	6.4
233.09227	3.0
233.12831	2.8
237.02667	1.6
239.11891	3.5
241.09485	2.7
247.10693	2.2
247.14484	7.3
257.12866	14.4
267.11316	3.0
275.13919	10.8
277.15546	1.5
283.06131	1.4
285.12341	14.0
293.14993	4.6
298.44760	1.5
303.10065	2.6
303.13345	20.4
321.14453	41.4
339.11719	4.1
339.15494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2068
Annotation	Epicainide
Peak:m/z	Relative Intensity
53.03942	0.9
53.92421	0.4
60.03899	0.4
68.17989	0.5
68.53477	0.4
70.06628	0.6
70.82539	1.3
79.05504	0.7
82.06585	1.1
84.08147	69.6
85.08498	0.6
86.09717	1.5
95.04993	0.6
96.08136	3.2
98.09701	15.4
99.12360	0.5
101.47691	0.5
107.04962	100.0
108.05328	0.7
108.97962	0.5
112.11243	1.2
121.10150	0.5
125.10758	4.8
126.41119	0.4
136.07590	3.9
150.09099	0.7
162.09177	0.4
176.10783	1.4
190.12276	2.7
192.13846	0.5
197.79860	0.4
231.15027	2.3
232.15752	2.9
233.16487	11.2
242.11691	3.5
259.54803	0.4
333.54980	0.5
339.20682	22.1
340.20969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01867	3.4
55.05510	10.5
57.03445	2.2
57.07064	3.6
59.05002	3.7
64.70065	1.5
67.05504	23.7
68.46269	1.5
69.03416	9.1
69.06721	2.6
69.07067	21.1
70.77158	4.7
71.04993	29.4
73.94314	1.6
79.05500	30.3
81.03404	5.0
81.07057	50.3
83.04975	7.1
83.08607	8.8
85.06557	3.4
91.05487	23.1
93.07046	63.8
95.04972	8.4
95.08604	31.9
97.06540	9.8
97.10156	2.7
99.04460	3.0
99.08112	2.3
103.05460	2.3
105.07025	25.6
106.62215	1.7
107.04956	100.0
107.08593	34.1
109.06514	7.1
109.10162	31.1
111.08072	6.9
111.11738	4.0
114.17056	1.6
115.05457	1.8
117.07025	9.2
119.04952	3.3
119.06025	2.2
119.08583	16.4
121.02866	1.6
121.06518	12.3
121.10143	46.4
123.08067	2.8
123.11710	17.0
125.06001	3.4
125.09621	3.8
127.03873	2.1
127.11243	1.7
128.06242	2.5
128.13249	1.7
129.06975	3.6
130.07751	2.8
131.04926	3.4
131.08554	22.0
133.06468	7.4
133.10144	10.0
135.08047	5.3
135.11682	15.9
137.05981	7.0
137.09607	6.8
137.13283	2.9
139.07510	2.1
139.11148	5.5
143.08551	4.9
143.60362	1.7
145.02913	2.3
145.06477	3.9
145.10118	25.7
147.08052	2.5
147.11653	6.7
148.29158	1.7
149.09590	5.3
149.13223	4.0
153.12733	5.9
157.06552	2.9
157.10114	5.4
159.08107	10.1
159.11688	4.0
160.20270	1.9
161.05913	2.7
161.09689	1.9
163.11150	8.7
165.07040	2.3
171.08073	5.6
171.11758	2.5
173.06067	1.9
173.09662	14.6
173.13231	5.0
175.11166	2.9
175.19601	1.8
177.05495	6.0
177.12794	2.4
179.08571	2.3
181.06506	3.0
181.12178	4.5
182.07333	2.9
183.08061	6.5
185.09604	8.0
187.11174	7.2
187.14732	2.1
190.07773	3.3
191.08620	3.8
191.10652	10.4
195.08055	6.1
197.09587	5.6
199.11125	2.7
199.14861	2.6
207.08086	3.7
208.09035	1.9
209.09572	5.4
210.06767	1.9
211.07561	2.4
211.11194	2.0
213.09096	4.5
215.10620	5.6
215.17868	2.6
218.07333	2.2
219.08073	5.6
221.09587	3.4
223.11150	2.4
225.09096	10.8
231.08162	2.3
233.09703	2.8
233.11748	7.3
234.06760	2.4
235.07553	3.2
235.10999	2.5
236.08128	2.9
237.09186	3.0
239.10591	2.0
241.08563	2.3
246.06537	2.2
247.07523	6.7
248.08252	2.2
249.09201	2.8
249.12778	2.0
251.10617	7.1
251.14236	2.7
261.09079	3.7
261.12766	4.6
263.07001	2.2
264.07843	4.7
264.11325	2.3
265.08765	3.1
265.15985	2.1
275.07004	4.6
275.14258	4.2
277.08643	2.0
277.12344	3.0
279.10101	10.0
279.13794	10.6
293.11996	2.8
293.15323	16.0
303.13702	4.3
303.23181	6.4
307.09689	10.9
311.12827	6.1
311.16144	2.2
321.11285	2.5
321.14688	16.1
321.24188	7.4
321.27609	2.0
324.09946	2.8
339.08759	2.5
339.12204	16.6
339.16006	18.2
339.25851	2.4
345.02094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
53.31876	0.8
54.02002	0.7
55.01865	3.3
55.05513	7.2
57.07080	2.3
59.05000	1.6
65.03951	1.6
67.05506	14.2
69.03440	4.7
69.07068	9.9
70.92936	1.1
71.01344	0.9
71.04999	14.4
79.05502	17.8
81.03413	3.9
81.07062	24.0
83.04987	3.9
83.08627	3.5
83.12386	0.9
84.18448	0.8
85.02890	1.8
85.06535	2.8
85.49004	0.8
91.05493	14.9
93.07050	29.6
95.04967	7.0
95.08609	17.6
97.06503	4.4
97.10183	2.1
99.04454	1.5
99.08080	1.2
102.86085	0.8
103.05506	2.6
105.04534	0.9
105.07040	16.5
105.07699	1.4
107.04962	100.0
107.08597	15.3
109.02875	1.5
109.06550	5.0
109.10162	13.7
111.04429	1.5
111.08081	2.3
111.11709	1.1
113.06033	1.8
115.05458	2.2
116.06175	1.1
117.03398	2.1
117.07044	4.7
119.04945	2.7
119.08600	10.7
121.02870	2.2
121.06503	12.9
121.10144	20.8
123.04413	1.2
123.08091	1.9
123.11716	8.3
125.05995	1.9
125.09651	1.9
127.03968	1.4
127.11210	1.7
128.06236	1.5
129.07027	4.6
130.07809	3.0
131.04947	6.2
131.08572	16.0
133.06537	6.0
133.10129	6.9
135.08060	4.6
135.11694	8.7
137.06000	6.4
137.09633	2.7
137.13278	1.7
139.11188	2.3
141.06949	1.3
142.07806	2.7
143.08615	4.2
144.05722	2.0
145.02861	4.4
145.06520	5.1
145.10132	22.0
147.04465	1.1
147.08060	2.2
147.11696	3.8
149.05969	2.1
149.09532	1.9
149.13234	1.2
151.11218	1.9
153.07063	1.1
153.12694	1.8
155.08566	2.7
157.06474	3.3
157.10126	3.4
158.07275	1.2
159.04474	1.6
159.08069	13.0
159.11711	2.8
161.06006	2.6
161.09636	3.2
161.13307	1.3
163.07597	2.4
163.11206	3.5
165.07004	1.9
165.12836	1.0
166.07831	1.2
169.06401	1.1
169.10168	3.3
171.08087	6.9
171.11655	1.1
173.09630	15.8
173.13268	1.8
175.11169	1.3
177.05466	9.4
177.06747	1.1
177.12665	1.2
178.07779	1.2
179.08594	2.3
181.06512	2.4
181.08681	1.0
181.12177	2.0
182.07291	1.9
183.08070	5.6
183.11688	1.5
185.09598	7.2
187.07558	2.5
187.11159	7.9
189.16479	1.1
191.08821	1.4
191.10707	8.9
194.07358	1.6
195.08026	7.8
197.09685	6.0
198.06721	0.9
199.07550	2.7
199.11116	2.0
199.14946	1.7
205.12236	1.3
207.08031	2.1
208.08955	1.1
209.09634	6.9
210.06712	1.0
211.07614	2.9
211.11182	2.2
213.09175	4.3
215.10660	6.0
218.07433	1.8
219.08018	3.9
220.08786	1.6
221.09596	5.0
223.11296	2.4
224.08372	1.1
225.09084	7.7
227.10728	2.5
231.08148	1.8
233.09628	3.2
233.11766	6.4
235.07570	3.3
235.11189	3.3
236.08221	1.4
237.09140	3.7
239.10670	2.1
245.09492	1.1
246.06892	1.5
246.10425	2.9
247.07628	3.1
249.09039	1.3
249.12856	1.5
250.09808	1.3
251.10692	3.0
251.14412	2.1
259.11356	1.1
260.11899	1.0
261.09021	1.9
261.12888	4.5
265.08551	1.7
265.12494	1.0
265.15854	2.3
275.07050	1.2
275.14307	3.9
277.12143	1.9
279.10257	4.5
279.13840	14.9
279.16660	1.2
285.22293	1.0
293.12039	1.8
293.15326	14.7
294.97183	1.0
303.13770	3.7
303.23267	2.4
306.08875	0.9
307.09634	4.4
321.11420	1.5
321.14822	18.6
321.24274	2.5
321.27692	1.0
339.12234	8.5
339.15967	16.5
339.26154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.38749	2.8
55.05511	15.2
56.25819	3.0
57.03420	5.1
57.07064	4.3
67.05512	97.3
69.07072	17.5
69.27916	8.2
69.28321	19.5
71.04984	2.9
79.05504	55.3
81.06600	5.0
81.07065	98.3
81.84805	3.0
83.08613	8.1
91.05482	25.2
93.07053	58.5
95.04997	3.1
95.08614	89.9
97.10134	3.5
105.07045	21.4
107.08616	49.1
109.10162	50.8
117.07013	9.7
119.08581	20.2
121.10144	45.1
123.11734	20.6
131.08575	19.4
133.10159	17.9
134.73541	3.0
135.11699	26.1
137.09612	3.7
137.13177	6.3
145.10132	22.8
146.09286	3.3
147.11708	17.2
149.13303	24.8
159.11693	27.3
161.13199	10.0
163.14821	5.4
173.13272	17.5
187.14876	7.1
229.19534	22.2
247.20586	100.0
283.17056	5.6
321.24210	8.3
330.12091	3.3
339.25177	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	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
55.01854	2.2
55.05508	20.8
56.96546	2.7
57.03421	6.3
57.07088	11.0
62.06093	10.4
65.03937	4.7
66.79902	1.8
66.82742	2.3
67.05506	91.5
69.07082	16.5
69.25929	13.1
69.26347	5.2
71.04985	8.5
71.08617	5.2
79.05492	52.4
81.03419	2.2
81.07058	100.0
83.04997	3.4
83.08599	8.3
85.06528	5.6
91.05481	34.1
93.07043	69.5
95.04983	5.6
95.08612	86.4
97.02888	2.7
97.06518	7.4
97.10188	4.2
98.21551	3.6
98.97570	2.7
99.08073	4.4
105.07034	33.6
107.08597	55.9
109.06562	2.9
109.09471	3.7
109.10158	47.7
111.08045	3.6
117.07021	13.4
119.08587	29.8
121.10149	51.1
123.08064	2.6
123.11703	18.5
125.09646	2.9
129.06952	2.4
130.07831	2.6
131.00247	3.0
131.08575	22.2
133.10152	23.3
135.11697	36.7
137.09647	3.1
137.13240	6.7
139.11148	2.9
143.08572	5.7
145.10129	39.4
147.11699	24.9
149.01219	4.3
149.13278	22.2
151.11157	2.6
156.03648	5.9
156.09337	2.0
157.10129	4.3
158.27972	2.0
159.11699	30.4
161.13277	10.7
163.14799	8.2
165.12811	2.6
173.13261	19.2
175.14777	3.0
177.12839	2.3
185.13286	3.6
187.14795	8.3
189.16451	4.5
199.14812	4.5
201.16414	7.3
202.16930	2.1
211.14780	2.7
213.16414	2.4
215.17926	2.4
219.21057	5.1
228.05713	2.8
229.19525	27.4
239.56459	2.2
247.20567	92.1
255.21066	5.1
259.13815	5.7
265.21591	3.5
281.22626	4.0
286.50928	2.2
311.48788	2.1
321.24011	4.8
322.27374	8.6
339.15814	3.1
339.25351	23.8
340.16431	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03942	4.9
55.05510	18.9
57.03436	8.0
57.07064	8.8
62.06082	3.6
65.03929	4.1
67.05508	91.8
69.07061	13.8
69.39751	20.1
71.04987	5.0
76.86640	2.8
79.05083	3.3
79.05499	50.5
81.03429	3.3
81.06600	5.6
81.07061	100.0
83.04942	3.9
83.08604	7.3
85.06552	5.4
91.05484	36.7
93.07050	68.8
95.08612	80.6
97.06518	6.2
97.10177	4.8
105.07033	26.7
107.04933	8.7
107.08605	55.4
109.10164	45.3
117.06995	12.0
119.08582	24.9
121.06496	3.7
121.10156	45.3
123.08065	3.6
123.11701	17.6
129.06836	3.3
131.08562	21.5
133.10149	21.9
135.11708	37.5
137.05928	3.2
137.09587	3.1
137.13272	5.0
145.10150	20.2
147.11697	19.0
149.09627	3.6
149.13261	24.3
151.14847	3.0
159.11688	23.6
161.13260	7.7
163.11180	3.5
163.14807	10.0
163.16104	2.8
173.13231	15.3
175.11166	4.1
177.05443	4.6
187.14827	7.6
188.89418	2.6
195.94620	2.7
219.21053	6.8
229.19536	26.2
234.96826	5.1
246.96803	3.1
247.20575	93.7
265.21680	4.2
283.16977	21.1
292.97464	4.8
295.54861	2.6
305.57712	2.7
315.99017	8.6
321.23965	5.8
327.91138	2.9
329.36252	2.8
339.12189	5.2
339.25464	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	3.4
55.05514	14.9
57.03445	7.1
57.07061	3.5
57.17999	1.3
65.03943	3.3
67.05508	98.8
69.07073	12.2
71.04989	2.9
77.03967	1.2
79.05498	45.2
81.07059	100.0
83.04970	1.3
83.08623	7.4
85.06551	3.2
91.04927	1.2
91.05487	26.8
93.07049	59.6
93.22408	1.0
95.04964	1.9
95.08611	85.0
97.06509	2.6
97.10160	5.0
98.20794	2.4
99.08082	2.1
103.05457	1.5
105.07036	22.7
107.04966	10.2
107.08599	42.0
109.06500	1.8
109.10161	50.2
111.08087	1.8
113.09646	1.3
117.07037	9.1
119.06036	1.1
119.08585	18.7
121.06445	1.3
121.10151	37.1
122.84944	1.0
123.08060	2.0
123.11720	17.1
130.07799	1.5
131.08569	21.2
133.10132	15.4
135.08051	2.1
135.11708	31.4
137.05928	1.2
137.09604	2.5
137.13243	6.2
145.10130	22.7
145.36107	1.2
147.11702	13.5
149.13258	17.8
151.11176	2.3
159.11690	20.7
159.12909	1.9
161.13293	4.5
163.14824	6.2
165.12814	1.1
173.09660	1.5
173.13246	13.3
187.14893	5.8
195.13818	1.3
201.16370	1.9
203.17940	1.2
206.00713	1.1
219.21104	6.0
229.19540	23.7
234.00616	1.2
247.20584	86.8
248.21071	1.5
265.21674	6.3
279.14063	1.4
293.15466	2.1
321.14984	2.4
321.24240	10.1
339.16022	1.9
339.25293	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03940	2.5
55.01860	0.9
55.05511	40.6
57.03441	18.2
57.07076	18.0
59.04981	0.8
60.08140	0.7
62.00209	0.7
62.57467	0.6
65.03943	1.5
67.05506	29.3
69.03428	1.0
69.07069	52.7
69.32590	6.6
70.07375	1.0
71.04985	2.1
71.08636	7.5
79.05493	12.7
81.03400	1.2
81.07055	34.5
81.07536	1.7
82.07379	1.0
83.04988	1.8
83.08621	34.9
85.06542	2.0
85.10168	3.4
89.88525	0.8
91.05479	3.7
93.07048	18.6
95.08611	32.1
96.08913	1.0
97.06519	5.6
97.10170	20.8
98.20741	1.7
99.08099	1.3
105.07018	3.7
107.08597	12.1
109.10153	14.4
111.08060	3.5
111.11739	5.2
119.08556	3.3
121.10155	17.5
122.47472	0.7
123.11711	5.8
125.05032	0.7
125.09603	2.1
131.08571	1.2
133.10132	2.4
135.11696	12.4
137.13248	1.4
139.11151	2.3
145.10115	1.0
147.11662	2.0
149.12296	0.8
149.13292	6.7
151.14786	1.8
153.12874	0.9
159.11696	3.0
161.13274	1.8
163.14784	2.9
165.16435	0.8
171.11642	1.2
173.13292	1.3
175.14827	0.9
183.11864	0.7
185.13235	1.1
187.14816	0.9
189.16374	1.3
191.18060	1.0
201.16310	1.0
215.18048	1.4
247.24200	2.5
265.25241	3.8
294.63419	0.8
339.28925	100.0
340.29147	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	339.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.05511	60.6
56.41253	3.5
57.03440	8.4
57.06798	5.1
57.07077	87.2
67.05511	38.0
69.07072	100.0
70.08680	16.8
71.04980	6.3
71.08630	61.4
79.05508	20.6
81.07059	61.6
83.04957	5.9
83.08629	65.3
85.10176	32.7
91.05482	6.0
93.07047	34.3
95.08614	59.3
96.30613	3.7
97.06549	21.1
97.10172	54.0
98.21483	3.9
102.99023	3.7
107.08586	35.4
109.10158	26.5
111.08076	15.0
111.11728	13.1
115.07522	6.0
121.10152	34.6
123.11710	18.6
125.09630	13.1
125.13265	4.1
129.09045	4.5
131.08604	4.5
132.11812	3.4
133.10101	6.3
135.08174	4.4
135.11723	33.1
137.13190	3.8
139.11224	17.4
145.10121	4.7
147.12903	3.6
149.13217	20.2
151.14896	3.5
153.12788	9.2
163.14812	16.4
167.05704	3.8
167.14381	6.2
177.16385	10.1
181.15884	9.5
181.96434	4.1
191.17944	4.9
195.17534	7.1
205.19504	4.8
219.20961	3.9
232.28395	3.8
233.22603	5.2
244.98137	4.1
251.23697	4.8
265.25125	3.9
283.16873	5.3
303.30432	20.4
321.31549	12.6
339.23227	4.8
339.28958	14.1
339.34378	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	340.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.1
64.73568	0.4
69.03438	2.9
71.32810	0.5
81.03403	1.1
85.02911	5.1
91.04003	0.5
94.06599	0.4
97.02893	1.8
98.77242	0.4
104.04990	1.0
106.11097	0.5
120.80262	0.4
122.06042	0.9
127.03914	1.0
132.04482	5.4
145.04913	0.6
178.05005	100.0
179.05316	1.1
334.13254	0.5
340.10315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.59699	0.3
53.03951	0.4
57.03425	0.5
59.07222	0.4
61.02914	1.2
63.32574	0.4
64.97248	0.3
69.03432	2.2
70.63284	0.6
70.63625	0.8
81.03419	1.1
85.02906	5.0
97.02897	1.9
104.04968	0.9
109.02882	0.5
120.60442	0.4
127.03927	1.0
132.04440	5.4
135.30824	0.3
145.04964	1.3
160.03944	0.5
178.04997	100.0
179.05344	0.7
226.40549	0.4
292.20914	0.4
340.10199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05499	0.3
56.96564	0.4
57.03421	0.8
57.03686	0.3
61.02917	0.9
69.03423	2.5
69.23353	0.4
70.06595	1.7
71.04586	0.3
71.04940	0.7
72.08152	0.4
73.02898	0.3
80.65266	0.3
81.03397	1.1
84.04478	0.4
84.08130	1.1
85.02914	4.8
86.09727	0.6
87.04474	0.6
97.02885	1.8
98.97565	1.1
99.04469	0.4
104.04984	0.9
107.04942	0.4
109.02905	0.6
110.07195	1.5
116.07084	0.9
116.98604	0.5
122.06014	0.8
125.25706	0.3
127.03910	1.3
129.10242	0.5
132.04456	5.9
132.68282	0.3
136.07568	0.3
145.04959	0.7
150.05573	0.4
156.07671	0.5
178.04997	100.0
179.05385	0.5
180.94820	0.3
317.06549	0.4
340.10245	0.7
340.13916	0.8
340.18832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.30124	0.6
55.05490	0.7
56.05033	1.0
63.63736	0.7
66.20671	0.6
66.31743	0.6
67.05466	0.8
69.03425	1.3
69.07076	0.7
70.06594	6.8
70.73119	1.7
71.04990	0.6
72.08150	1.5
84.04507	1.5
84.08142	5.8
85.02902	2.0
85.96056	0.6
86.09722	3.8
95.55202	0.6
97.02879	1.1
98.97598	0.7
104.05003	2.2
110.07171	2.4
116.07111	3.5
120.08085	1.0
122.06040	1.7
129.10263	0.8
132.04454	7.1
133.00911	0.6
136.07553	1.7
160.03984	0.8
178.05002	100.0
255.62746	0.7
340.09970	0.8
340.14102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
53.03949	0.4
55.01863	0.3
55.05515	0.1
57.03439	0.7
58.36348	0.1
61.02924	1.0
63.15848	0.1
68.02119	0.1
69.03428	2.5
70.06581	0.3
71.04993	0.2
71.48618	0.1
73.02910	0.2
74.06072	0.2
77.03935	0.2
79.25034	0.1
81.03423	1.3
83.01337	0.1
84.08133	0.1
85.02908	5.4
86.09710	0.2
87.04469	0.4
91.03979	0.4
94.06567	0.3
95.04969	0.1
97.02893	2.1
99.04453	0.4
100.11250	0.1
103.50388	0.1
104.05004	0.9
105.03407	0.2
107.04958	0.4
108.05308	0.2
109.02896	0.6
120.08140	0.1
122.06030	0.6
127.03918	1.3
132.04457	5.9
136.07567	0.1
137.06004	0.1
139.80489	0.1
145.04956	0.8
160.03915	0.4
168.08279	0.1
178.04997	100.0
179.05373	0.8
233.15045	0.1
234.15288	0.1
276.75412	0.1
340.10217	0.6
340.14487	0.4
340.25775	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
53.70404	1.8
55.01870	2.5
55.05514	2.5
56.05021	1.5
56.96561	22.4
57.03435	8.0
57.07072	5.5
58.72477	1.5
59.83968	1.6
60.04523	20.6
61.02925	9.2
66.07482	1.5
67.05495	5.8
69.03434	23.7
69.07074	2.9
70.06581	7.4
71.04993	4.0
71.48338	2.3
72.08151	6.2
73.02910	7.5
73.47412	1.8
74.02428	2.1
74.06074	2.8
77.58518	1.7
81.03416	7.3
83.06095	4.4
84.08147	11.2
84.96043	6.9
85.02907	43.1
85.06561	2.7
86.03244	2.2
86.09707	6.0
87.04438	3.2
87.05572	2.8
91.03925	2.5
91.05483	6.8
93.07074	2.5
95.04987	2.9
95.06113	3.0
96.04504	1.9
97.02895	25.8
98.97586	78.4
99.04431	3.3
102.96956	1.7
103.05473	7.3
106.05017	3.7
107.04219	2.2
107.04955	49.3
108.05283	5.7
109.02888	5.2
110.07166	49.9
110.97562	19.9
111.53655	1.8
112.07586	12.6
112.99139	14.6
113.07175	2.1
116.98630	21.3
119.01846	3.3
119.04929	8.5
120.08108	100.0
120.92434	1.7
123.04441	22.7
124.99113	3.4
127.00747	1.6
127.03905	12.2
128.98579	11.0
130.08652	14.3
131.00150	8.9
131.01747	2.5
131.08173	6.8
134.99631	2.6
135.04414	1.7
136.07581	19.1
136.08684	4.9
136.33954	2.1
137.05971	13.0
138.05545	2.7
140.02303	3.2
140.98593	3.4
142.08607	2.3
143.00157	6.8
145.01703	3.1
145.04980	7.2
146.02205	2.2
146.99652	4.0
147.04410	10.9
148.08804	2.0
149.01262	2.4
152.02397	1.9
152.04202	2.0
152.98572	1.8
155.00110	1.8
156.03453	2.1
156.07671	8.0
157.06110	5.3
158.06639	3.5
158.99663	23.4
159.03313	2.4
159.07750	3.8
160.07567	2.3
161.01268	3.0
161.02878	5.5
161.04619	9.2
162.09148	6.1
165.05511	3.8
166.06111	5.0
168.03476	3.7
168.53819	2.2
169.04433	19.0
170.99673	7.9
172.97705	1.7
173.01282	4.3
175.02878	2.1
175.07101	2.2
176.07692	2.8
177.00749	14.4
177.04260	3.2
177.06685	2.9
177.54381	1.8
178.04948	35.9
178.06621	3.0
178.07079	2.4
178.08472	2.0
178.12247	3.6
178.97853	2.6
179.07030	4.1
181.10851	4.5
182.08185	5.6
186.04413	5.9
188.07635	1.9
189.00764	4.7
191.02223	1.9
191.03957	2.8
192.07698	6.5
193.04172	3.4
193.08243	10.8
193.09750	2.6
196.56609	3.8
197.01259	3.1
197.05721	2.3
199.04465	2.4
201.00766	7.1
201.04520	2.1
203.04105	2.6
204.05409	3.3
207.11296	20.5
208.04871	10.3
209.10417	12.0
212.07767	5.3
217.05365	2.0
217.09700	2.3
219.01770	31.9
220.02245	2.7
223.10828	7.1
223.15465	2.1
227.57199	1.9
232.99615	3.0
233.06877	2.2
235.02795	7.2
235.10812	9.7
237.02795	27.8
238.01321	2.6
244.05873	2.5
250.04285	3.5
250.07068	21.1
250.57338	1.7
251.12367	6.1
251.14777	2.9
253.03658	3.6
258.57065	3.3
259.04678	4.2
259.07617	20.3
259.57544	2.0
263.12473	2.8
265.06503	3.6
271.04919	2.1
274.07016	3.6
277.03787	4.4
280.07080	11.0
280.82797	1.9
281.13409	10.4
289.07596	8.5
295.04916	6.8
303.07465	6.7
304.13266	2.1
321.08572	3.9
322.13837	1.9
323.01971	2.4
325.05850	5.1
331.10388	6.0
337.02271	2.9
337.07983	7.5
340.10007	9.6
340.14096	4.7
340.19537	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01860	3.3
57.03426	7.2
61.02909	5.0
64.83264	2.3
68.99777	3.3
69.03430	36.4
71.02878	6.2
71.04966	6.0
73.02908	6.5
77.54996	2.4
81.03425	19.4
85.02908	100.0
87.00832	61.7
97.02895	43.1
99.04463	14.1
105.01867	85.2
108.04450	3.2
109.02885	24.6
118.78121	2.6
127.03918	69.1
129.01804	3.3
145.04965	34.4
159.02893	5.9
178.05040	4.9
231.04977	21.8
249.06107	5.8
276.95358	3.1
308.42160	3.0
357.14005	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.2
66.34607	1.3
66.95316	1.5
69.03436	11.0
70.06573	4.1
70.96704	2.5
71.04986	2.1
73.02921	1.5
79.67881	1.3
81.03432	9.0
84.08133	2.8
85.02907	20.3
86.09699	4.0
87.00827	5.2
91.05473	2.5
97.02901	16.3
99.04437	6.2
104.05006	2.2
105.01860	4.7
109.02871	3.4
110.07135	2.4
115.05456	2.1
116.07068	2.0
116.40197	1.4
117.05756	1.5
118.06546	3.8
122.05970	1.6
127.03899	19.2
129.10284	2.9
130.06535	1.8
132.04443	10.6
132.08081	8.0
136.07578	5.6
137.06017	1.6
142.06546	3.0
144.08069	4.6
145.04985	13.2
145.34798	1.4
160.07576	26.3
164.07082	1.5
166.86440	1.7
174.09067	2.6
178.05002	100.0
178.08571	16.0
179.05296	2.0
190.08536	2.5
198.09174	1.5
202.08627	8.4
220.09720	4.1
231.04971	5.4
249.06041	3.0
255.72900	1.3
270.81815	1.4
322.12827	4.2
340.13699	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
68.99781	4.2
69.03437	45.2
71.02409	6.9
73.02904	4.8
81.03423	22.6
85.02914	100.0
87.00838	56.9
97.02901	30.8
99.04456	8.1
105.01215	5.4
105.01876	78.6
109.02900	30.0
109.15007	3.7
127.03934	77.0
129.01825	4.9
131.14874	3.2
145.04971	33.4
146.77051	3.0
159.02908	11.0
189.04022	5.3
231.04990	21.6
249.06140	7.9
265.89148	3.7
316.25229	3.8
323.44193	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54878	1.8
50.60147	1.7
53.03941	5.5
55.01868	7.3
57.03434	5.4
61.02922	4.7
69.03433	34.6
70.06609	2.5
70.92709	2.3
70.93042	2.6
71.04980	3.8
73.02912	6.1
79.34120	2.2
81.03422	16.8
85.02905	100.0
87.00834	45.6
91.05453	2.4
97.02898	34.0
99.04460	10.8
105.01865	68.6
108.04494	3.5
109.02877	27.0
117.01873	1.9
127.03929	62.6
129.01816	4.4
145.04962	29.8
147.02898	2.8
149.71458	2.0
159.02849	12.0
178.04979	28.9
179.44830	2.0
188.50620	2.1
189.03970	3.6
208.50253	1.8
213.03841	3.1
231.05026	18.0
249.05998	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	340.2845
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
52.38020	0.7
53.03939	1.2
55.05512	16.4
56.05027	1.3
56.05827	1.1
57.03424	1.5
57.07085	4.5
59.04967	0.8
60.04527	29.2
65.64260	0.7
67.05182	1.0
67.05504	13.4
69.07071	20.2
69.18371	4.1
69.18796	3.3
70.07392	1.2
71.04979	1.0
71.08622	2.4
71.63923	0.8
72.08139	0.9
79.05470	3.2
81.06613	1.5
81.07056	17.2
83.04974	1.2
83.08618	16.5
84.08905	1.1
85.10171	0.9
87.04418	1.0
91.05478	4.1
91.59927	0.9
93.07048	5.5
95.08608	13.9
97.06515	2.4
97.10168	9.3
99.08074	0.9
100.11226	1.1
105.07023	3.6
107.08573	3.0
109.10168	8.8
111.08096	1.1
111.11691	3.2
113.09621	1.2
119.08586	3.9
121.10139	3.2
123.08047	1.5
123.11682	3.1
125.13294	0.9
133.10146	4.1
133.10966	0.7
135.11676	3.3
136.04012	0.8
137.09595	2.5
137.13197	0.7
142.15929	9.4
147.11650	2.6
149.13228	1.6
151.11145	1.2
153.12697	0.9
154.12262	4.6
161.13191	1.6
163.14764	1.4
165.12700	1.1
172.13321	3.3
175.14810	1.1
179.14258	0.9
190.49197	0.7
245.22649	3.2
263.23755	4.9
280.26382	11.1
298.27402	15.3
322.27396	3.5
340.28516	100.0
341.29059	1.0
350.38904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	8.1
60.90186	0.7
71.46780	0.7
71.95279	1.8
97.92054	0.9
98.97586	88.5
114.95602	1.6
116.98624	27.4
121.01715	0.7
132.96651	1.6
134.99657	4.4
138.95610	1.0
148.98029	0.7
156.96593	6.2
172.94499	1.0
174.97665	22.6
174.99158	1.3
190.95717	1.8
192.98714	7.9
196.94621	1.4
198.97610	8.1
208.96635	1.0
214.95648	14.7
216.98717	54.7
217.99057	0.8
219.01970	1.6
232.96709	17.9
232.98946	1.1
234.69310	0.7
234.99774	55.8
235.99988	1.8
238.95497	1.4
240.00478	0.8
240.98677	1.3
250.97786	4.2
256.96707	32.1
257.96814	1.0
258.99792	14.7
261.03210	0.9
263.03052	1.1
274.97726	39.6
275.98019	1.4
276.97736	1.3
277.00833	12.1
280.96817	3.4
289.96646	1.6
292.98822	4.5
298.97757	89.7
299.97928	2.9
316.98825	100.0
317.98962	3.7
318.05283	1.2
334.99783	1.9
340.00366	2.9
340.98816	30.4
341.98853	1.1
358.99860	46.8
359.99973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.91366	0.4
55.01849	2.1
57.03436	2.2
57.44513	0.5
57.66956	0.5
59.04955	0.5
61.02897	1.2
69.03432	15.0
69.75806	2.5
70.06574	1.6
71.01335	1.1
71.04662	0.4
71.04991	4.3
72.08127	1.6
73.02890	1.1
73.04765	0.5
81.03421	16.4
83.06078	1.3
84.08126	1.4
85.02848	0.5
86.09681	1.0
91.05457	1.1
94.58456	0.5
99.03947	0.5
99.04457	5.6
102.91806	0.5
106.06548	1.0
106.73772	0.5
107.04939	0.6
117.05515	1.2
119.04944	0.5
131.04893	0.6
133.07613	5.3
134.06012	2.0
135.09119	0.9
136.07552	1.0
137.05965	1.9
160.07518	0.5
161.05820	0.6
161.07106	11.1
163.08672	6.6
167.10747	0.5
170.41719	0.5
175.07507	0.6
178.07353	0.7
179.03439	1.2
179.05118	0.5
179.08183	1.2
182.12889	0.8
187.07541	0.6
189.06589	8.5
191.08174	6.7
207.07654	100.0
208.07977	1.0
217.08601	0.5
231.84065	0.5
249.08786	1.2
263.10834	0.5
267.42676	0.5
277.08301	0.4
291.10254	0.7
305.11356	1.9
311.12811	0.5
323.12387	34.4
324.12509	0.5
341.13470	25.2
342.14066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05511	11.8
55.63251	2.7
57.03440	15.1
57.07075	53.4
67.05502	14.1
69.07073	17.9
70.07371	3.2
70.67907	9.8
71.08630	31.5
74.29646	2.7
78.10942	2.7
79.05499	9.8
81.07064	22.4
83.08604	13.9
84.08923	3.0
85.10195	14.8
91.05476	16.4
92.75500	3.3
93.07046	7.6
94.04227	3.7
95.05003	3.5
95.08617	25.1
95.12367	2.7
97.10155	8.3
105.07054	11.0
107.04938	7.6
107.08593	6.7
108.08823	3.3
109.10168	12.3
111.08019	2.9
111.11659	3.1
115.05468	4.0
117.07016	9.2
119.04947	3.0
119.08591	11.8
121.06513	4.9
121.10198	7.2
122.03654	10.3
123.11729	6.2
127.92607	3.1
128.06209	6.6
129.07021	15.8
131.04965	4.0
131.08618	6.0
132.05693	6.8
133.10146	3.6
135.11688	3.3
137.05972	100.0
145.06505	6.2
147.04437	4.5
147.08067	10.0
147.11768	4.3
149.13324	3.5
159.08028	8.8
160.05229	3.6
161.05971	4.8
161.09554	3.9
167.07047	11.3
175.07552	63.8
177.09117	8.4
187.07530	21.3
191.08582	5.8
191.17899	3.5
195.04462	3.6
203.08536	4.8
217.08572	4.5
218.07162	3.3
219.08086	4.8
221.09618	5.6
247.07698	4.3
249.09253	6.1
251.07063	3.4
251.10599	4.2
277.08804	3.8
279.10080	7.7
281.11676	10.4
291.10019	3.8
309.11270	10.6
311.12854	5.1
323.12668	6.2
341.10095	5.0
341.13760	21.0
341.30569	73.7
342.30585	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	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.09901	1.0
67.05495	1.1
69.03426	1.2
69.07048	0.9
70.06583	1.2
71.47895	1.2
71.48316	1.3
72.08165	1.8
79.05501	2.6
81.07058	2.2
84.08149	2.0
85.02885	1.5
86.09714	2.5
91.05489	7.7
93.07047	1.6
94.04195	3.0
103.05479	3.2
105.07040	6.2
107.04972	3.0
109.06506	1.3
115.05464	5.5
116.07117	1.2
117.07050	2.7
119.04955	1.2
119.08609	6.5
121.06528	3.3
121.10204	1.2
122.03638	7.7
128.06242	2.4
129.07065	5.0
131.04941	3.3
132.05716	4.0
133.06508	4.8
135.04439	1.0
137.05988	100.0
143.08412	1.1
144.05676	1.0
145.06487	2.9
147.04424	3.9
147.08043	7.6
149.05977	1.6
151.03976	1.1
151.07573	2.3
157.06512	3.3
159.08038	3.8
160.05182	4.7
161.06004	11.8
161.09535	1.4
163.07520	1.9
165.70120	1.0
167.07025	1.4
174.06931	1.0
175.07552	53.4
177.05563	1.8
177.09117	3.9
178.05060	1.9
178.07974	1.0
179.05325	4.6
179.06947	2.3
184.05191	1.3
185.05945	1.7
185.75533	1.0
187.07573	11.0
189.09077	3.3
190.07864	2.7
191.08604	8.4
199.07574	4.6
202.07858	2.5
203.08611	5.3
208.08820	1.4
216.17683	1.2
217.08665	3.0
218.07220	1.4
219.08083	8.5
220.08691	2.0
221.09645	1.2
231.08026	3.4
235.07634	2.4
236.08400	2.5
247.07610	4.4
248.08369	2.4
251.10712	8.6
259.07541	4.1
261.08893	1.7
263.10754	3.5
265.08594	1.4
271.09793	1.1
276.07852	1.9
277.08624	1.8
279.10168	8.8
280.11130	1.2
291.10168	7.3
292.10944	1.7
293.08173	1.1
295.09821	1.5
296.10709	1.1
308.10699	1.4
309.11362	2.0
311.12735	7.9
323.12662	6.1
335.65027	1.0
341.09842	1.7
341.13565	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58251	0.6
70.77544	1.8
76.23758	0.6
79.05487	2.6
80.99732	0.7
81.07041	1.2
84.07855	0.7
91.05479	5.1
91.22624	0.9
94.04178	3.0
96.53568	0.8
103.05479	1.1
104.06203	0.9
105.07047	4.7
107.04967	1.1
109.06493	1.6
115.05430	4.0
117.06986	1.7
118.04123	1.0
119.08586	3.3
121.06528	0.7
122.03651	9.6
128.06244	2.6
129.07021	1.9
131.04950	1.7
132.05704	3.1
133.06511	2.4
137.05981	100.0
138.06337	1.2
144.05698	1.4
145.06456	1.1
147.04424	2.1
147.08023	4.3
149.05981	2.7
151.07524	0.9
157.06555	0.8
159.08099	2.8
160.05200	3.0
161.05981	8.5
167.07085	1.1
171.08109	0.9
172.05258	1.3
172.67128	0.8
175.07550	39.1
177.09093	1.3
184.05214	1.5
185.05945	1.7
187.07518	7.1
189.07095	1.3
189.09102	1.3
190.07803	3.4
191.08553	7.7
199.07533	7.4
202.07777	3.7
203.08571	6.2
205.06474	1.1
217.08589	0.8
218.07280	2.2
219.08046	9.0
220.08720	1.9
221.09712	0.9
231.08075	5.5
232.08879	1.4
236.08406	2.0
247.07611	4.9
248.08348	2.8
249.09038	1.1
251.10660	10.0
259.07587	3.5
260.08322	1.0
261.09131	1.6
263.10681	3.0
276.07773	1.0
277.08636	2.8
279.10211	8.7
291.10129	5.8
292.10901	4.9
311.12799	9.4
323.12939	3.3
341.13800	3.3
357.45886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80242	1.1
59.33894	1.0
66.15498	1.3
69.90135	3.6
69.90544	2.1
70.40118	1.1
79.05490	2.9
80.08118	1.0
81.07088	1.2
91.05477	4.9
94.04175	2.6
94.51756	1.2
95.04939	1.4
98.20853	1.7
103.05480	1.3
105.07044	5.1
107.04958	1.8
109.06529	2.0
115.05457	4.4
117.07018	2.6
119.08589	3.7
121.06485	1.6
121.23972	1.1
122.03664	8.1
128.06190	2.9
129.06995	2.7
131.04924	1.5
132.05714	3.3
133.06522	3.6
137.05991	100.0
141.06963	1.3
145.06479	2.2
147.04404	1.2
147.08037	4.2
149.05927	1.4
149.93079	1.2
159.08080	1.9
160.05188	1.6
161.05981	9.0
175.07555	38.8
177.09103	1.5
187.07596	7.0
189.09035	2.5
190.07785	3.0
191.08575	7.2
199.07526	7.1
202.07791	4.0
203.08524	6.7
217.08629	1.6
219.08047	9.6
220.08763	2.0
231.07994	6.1
233.09669	2.0
247.07657	2.7
248.08420	2.6
249.09229	1.3
251.10690	11.9
259.07516	4.3
260.08466	1.6
263.10669	3.4
268.29651	1.1
277.08432	4.1
279.10217	8.4
291.10223	5.5
292.10956	2.4
311.12778	9.0
323.12686	4.7
341.13858	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	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.30878	1.4
55.05519	2.2
67.05508	1.6
69.07078	2.2
69.33258	1.5
69.85771	1.4
70.65400	1.5
71.05013	2.6
79.05495	2.4
81.07057	7.2
83.19949	1.5
85.06535	2.1
91.05486	7.4
93.07055	1.5
94.04182	3.8
95.08613	2.4
95.77512	1.6
97.06567	2.2
98.21529	3.5
99.08076	1.9
99.69593	1.5
104.81535	1.7
105.07030	5.1
107.04942	2.1
107.08613	1.8
109.10172	2.4
115.05430	3.7
117.07051	4.6
119.04976	3.0
119.08572	9.5
121.06498	2.4
122.03648	5.9
123.11703	7.4
128.06224	2.0
129.07002	4.3
132.05704	2.5
133.06500	3.5
137.05974	100.0
138.06294	1.6
145.06485	3.7
147.04417	6.5
147.08043	10.7
148.11189	15.8
149.05959	2.2
151.07544	2.5
153.12776	1.6
155.27734	1.5
157.06487	2.7
160.05235	3.3
161.05974	8.6
161.70435	1.9
169.12227	3.2
175.07539	77.3
177.09122	6.7
187.07562	6.3
189.09085	3.5
191.08595	4.4
199.07590	3.7
203.08615	2.8
217.08577	4.2
219.08037	6.4
231.08087	3.3
247.07545	3.6
248.08167	2.2
251.10683	7.7
259.07474	4.6
279.10172	7.5
291.03696	1.7
291.10110	4.4
309.11206	2.5
311.12833	7.1
323.12833	5.0
341.13898	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12897	1.0
55.01863	1.3
67.05497	1.8
69.07062	1.6
69.24592	7.5
75.22218	0.9
79.05496	1.8
81.07072	5.3
81.07468	1.0
91.05480	5.6
93.07035	1.9
94.04186	3.8
95.08592	3.2
98.21595	1.3
101.07671	0.8
103.05438	1.7
105.07051	5.0
107.04927	3.1
107.08578	1.6
109.06490	2.4
109.10110	1.3
111.08083	2.4
113.79207	1.0
115.05447	3.9
117.07048	2.1
119.04984	1.3
119.08583	4.8
121.06484	1.6
122.03675	8.1
123.11700	3.0
125.40697	0.9
128.06245	2.7
129.06963	2.8
131.04916	1.6
132.05705	4.5
133.06483	3.3
133.10109	1.0
137.05983	100.0
145.06505	1.6
147.04414	2.5
147.08070	5.3
149.05972	1.7
157.06462	1.4
159.08035	3.3
160.05194	2.8
161.05975	9.7
162.28348	0.8
167.07013	1.1
175.07559	40.2
177.09100	1.8
178.41090	0.8
179.07088	1.0
184.05211	1.2
184.42522	0.9
187.07581	7.9
189.07112	1.5
189.09021	2.1
190.07761	3.6
191.08481	6.6
199.07562	8.8
202.07780	4.8
203.08546	7.7
205.10049	0.9
217.08594	1.1
218.07216	2.8
219.08083	11.9
220.08868	1.8
231.08051	6.0
233.14876	1.0
247.07607	3.8
248.08301	3.3
251.10710	11.7
257.68988	0.9
259.07513	2.9
261.09103	1.3
263.10590	3.1
265.08676	1.0
276.07767	1.4
277.08566	2.3
279.10178	9.4
280.10831	1.5
281.11594	1.0
291.10156	7.4
292.10880	2.7
305.24512	1.1
308.10339	1.4
311.12711	8.8
323.12732	3.5
341.13947	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	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.6
57.03429	13.2
57.07079	35.8
67.05524	12.4
69.07060	14.7
71.08633	22.1
71.49117	3.6
73.04738	3.5
79.05479	3.4
80.51499	2.4
81.07057	12.6
83.08606	8.2
85.10182	12.7
91.05862	3.3
92.93879	2.3
93.07031	3.9
93.62724	2.6
94.04159	5.4
95.08614	17.2
97.10152	8.1
99.80619	2.6
100.11237	4.1
103.82511	2.4
103.90292	3.0
105.06999	7.2
109.10141	8.5
110.50202	2.5
115.05455	6.2
117.07030	2.9
119.08559	5.7
122.03628	10.5
128.06203	2.5
129.06944	3.1
131.04895	2.5
132.05685	3.8
133.06458	5.1
133.10106	3.8
137.05981	100.0
143.08472	2.6
147.04335	3.7
147.08124	4.1
149.13234	2.6
159.08096	4.3
161.05937	6.3
175.07544	40.8
187.07494	6.0
191.08556	6.4
199.07616	9.9
201.16423	2.9
203.08507	8.6
219.08070	8.1
231.08134	6.6
232.08618	2.7
248.08400	3.7
251.10733	9.5
259.07626	3.1
260.04056	2.6
279.10181	10.2
285.27728	3.0
291.10178	4.7
311.12503	6.2
340.39374	6.4
341.20996	3.0
341.30612	51.8
359.02939	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	341.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.82164	1.3
55.01868	2.2
55.05510	1.5
56.05040	1.7
56.96563	14.0
57.03434	4.2
58.53634	1.3
60.04526	2.8
60.04826	1.1
61.02915	5.0
67.05505	1.8
69.03433	16.6
69.07069	1.8
69.19958	12.3
70.03734	1.3
70.06596	13.7
71.05022	1.5
72.08150	6.5
72.93802	2.2
73.02917	3.9
73.04758	1.8
79.05492	2.6
81.03416	4.5
83.06100	2.0
84.04502	3.1
84.08150	9.0
84.96040	5.2
85.02911	20.1
86.03245	1.5
86.09712	3.3
87.04476	3.7
90.94781	2.4
91.05833	2.5
95.04985	1.6
97.02901	9.0
97.96799	1.9
98.06052	1.6
98.21531	2.4
98.97590	45.8
99.04457	2.0
102.96832	2.2
103.05485	2.1
106.06551	1.8
107.04960	39.8
108.05315	1.5
109.02863	4.3
110.07182	9.5
110.97583	14.9
111.07516	1.8
112.07607	19.5
112.99132	4.0
113.81566	1.3
116.07091	2.1
116.98643	17.6
119.04987	1.5
120.08102	9.3
121.02853	1.5
121.08459	8.5
122.06014	1.7
123.04459	9.5
124.99100	1.5
125.07141	1.3
127.02441	1.2
127.03924	5.9
127.08630	1.3
128.98613	15.0
129.10258	2.5
130.08684	2.5
131.00169	3.2
131.01880	1.3
132.95825	2.1
134.99623	2.9
136.07605	4.5
137.05980	5.8
137.07707	1.3
140.05592	5.9
143.00221	3.0
144.95842	1.7
145.04941	3.0
146.99640	5.0
147.04459	2.8
156.03368	2.2
157.01825	2.0
158.06630	25.3
158.97433	5.1
158.99673	11.4
161.01228	3.0
161.07111	1.7
162.98355	2.1
167.06975	2.2
168.03372	1.5
169.04436	1.6
170.06683	4.5
170.99646	3.9
173.01279	1.9
173.02879	1.6
174.04391	2.6
175.02933	1.3
176.07736	8.5
176.98457	1.3
177.00742	6.8
177.04318	1.5
178.04948	3.6
178.55075	1.8
178.97989	8.3
179.00215	3.4
179.08173	2.7
180.99478	1.4
181.06427	1.7
181.98779	1.7
182.03415	1.8
186.04391	3.6
188.07661	9.7
189.00746	4.3
191.04030	2.4
193.08180	1.6
194.06563	1.5
194.97400	2.6
196.98987	4.7
197.01244	5.1
199.99957	3.4
201.00732	5.7
204.05479	2.7
206.97531	2.3
208.04999	1.8
208.11574	1.9
210.10664	1.6
211.11848	2.5
212.07680	39.5
212.98518	1.6
215.02249	2.6
219.01779	28.9
220.99042	3.9
221.01060	1.7
222.09201	1.8
225.10872	13.9
228.14510	2.5
230.08760	24.6
232.99028	4.6
234.99042	5.5
236.11133	1.6
237.02832	31.1
238.03444	1.6
239.12457	1.6
243.11942	4.6
249.10225	1.6
250.08607	2.1
250.54349	1.5
250.57492	1.6
251.04865	3.5
251.12431	58.2
252.05841	2.4
257.03351	1.4
259.57730	2.1
260.05286	2.0
261.06363	2.2
263.12421	36.5
269.13519	22.0
281.13474	100.0
282.13663	3.1
294.24628	1.3
295.10666	2.2
313.23233	1.6
323.01987	9.8
338.08234	1.7
341.05472	2.6
341.12192	5.0
359.02728	1.8
359.06686	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	341.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.05505	0.5
56.05026	0.2
64.23406	0.3
65.02991	0.2
66.87029	0.2
67.05500	0.5
69.03412	0.5
69.07059	0.7
69.94690	0.4
69.95082	0.4
70.06589	1.2
71.04983	0.3
72.08150	0.4
75.51786	0.2
79.05490	0.7
81.03411	0.2
81.07066	1.9
81.84768	0.2
84.08122	0.5
85.02908	0.4
85.06541	0.3
86.09715	1.1
89.06023	0.5
91.05462	1.5
93.07056	1.1
95.04967	0.5
95.08627	0.9
97.06548	0.7
99.04459	0.2
103.05437	0.9
105.07040	4.4
107.04962	1.3
107.08583	0.5
109.06535	0.3
109.10168	0.5
110.06036	0.2
111.08094	0.3
115.05454	0.4
116.06211	0.2
117.07015	0.3
119.04982	0.2
119.08562	0.5
120.08114	0.3
121.02837	0.3
121.06512	0.4
121.10192	0.5
122.03641	0.4
123.11707	1.0
124.07635	0.5
129.07024	0.6
130.61203	0.2
131.04916	0.7
131.08606	0.3
132.05634	0.2
132.08098	0.7
133.06584	0.4
133.08876	10.0
133.09962	0.4
135.11676	0.3
137.05983	4.1
137.09599	0.3
138.09187	0.2
144.05710	0.2
144.08101	0.3
145.06445	0.2
145.10146	0.3
147.04378	0.2
147.08012	0.3
147.11583	0.3
148.11215	100.0
149.05968	0.2
149.11554	1.1
151.03893	0.3
160.05185	0.3
161.05965	0.8
163.07489	0.5
163.13281	0.6
165.07089	0.2
165.12735	0.3
167.07021	0.5
175.07533	2.1
177.05470	0.8
177.09090	0.3
178.04984	0.2
178.07841	0.2
179.05362	0.3
179.06970	0.2
179.08504	0.3
180.06581	0.2
183.14955	0.3
187.07527	1.5
188.07153	0.2
189.09187	0.3
191.08606	0.4
201.16499	0.2
202.07733	0.5
203.08536	0.5
205.06538	0.2
206.07278	0.3
210.07536	0.2
217.08665	0.3
218.07310	0.3
219.08115	0.6
221.09726	0.3
223.07562	0.2
228.13466	0.2
231.08119	0.4
232.08817	0.2
234.06796	0.4
235.07576	0.4
236.08269	0.2
237.09142	0.4
237.18355	0.2
248.08350	0.5
249.09077	0.6
251.10748	0.5
253.08618	0.3
259.07559	0.3
263.10703	0.3
264.32773	0.2
265.08707	0.2
277.08627	0.4
279.10074	0.9
281.11749	0.6
291.10208	0.7
295.09802	0.5
296.10278	0.2
297.11212	0.4
309.11176	0.8
311.12827	0.6
313.87833	0.2
323.12830	0.5
336.80804	0.2
341.10501	0.6
341.13992	1.4
341.18634	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	341.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.1
55.50948	1.4
57.07076	2.8
65.03931	2.6
67.05509	8.7
67.70535	1.4
69.07066	3.6
71.04983	4.9
79.05507	7.0
79.42590	1.4
81.07059	13.3
83.04978	3.7
83.08614	2.4
85.06557	20.1
91.05479	7.1
93.07064	15.9
95.04958	2.7
95.08620	22.1
98.20731	3.7
99.08088	2.7
105.00345	1.8
105.07041	14.6
106.30845	1.5
107.08600	8.6
109.06517	5.7
109.10146	6.9
111.08070	3.6
113.09624	2.6
117.06978	2.8
119.08567	11.2
121.06502	2.6
121.10174	8.0
123.08076	12.3
130.07848	1.7
131.08554	6.6
133.06470	2.3
133.10139	12.4
135.08035	6.3
135.11670	2.4
137.05054	1.5
137.05948	9.8
137.09630	3.6
138.91177	1.6
142.07921	1.5
143.08592	5.1
145.05243	1.4
145.10132	18.1
147.11691	2.8
149.09627	4.4
151.07556	100.0
155.08543	2.2
157.10112	6.2
159.08112	2.7
159.11711	5.9
161.09608	1.9
161.13292	4.6
161.63857	1.4
163.11272	2.0
165.09149	3.5
169.10135	3.0
171.11653	2.7
173.09680	3.2
173.13292	5.6
175.07582	9.2
175.11333	2.2
175.15012	1.7
176.08382	2.2
177.09126	6.5
177.12686	2.6
185.09676	3.6
185.13211	4.0
187.11226	3.3
188.08334	2.4
189.09097	18.7
191.10686	18.4
191.14333	3.5
196.08824	2.3
201.09135	12.0
201.12686	2.2
202.09898	2.8
203.10686	8.5
203.14345	1.5
209.09671	2.1
209.13213	1.5
213.09213	2.6
213.12753	2.1
215.10715	9.0
217.12233	3.9
223.11259	2.6
226.09872	4.1
227.10674	7.3
228.11459	2.2
229.12219	19.8
239.10809	2.5
239.14203	2.6
241.12267	9.7
243.13831	5.8
253.12276	3.8
255.13911	4.8
255.17332	1.7
256.14639	4.1
257.15295	7.7
265.15900	2.5
267.13925	7.0
271.16959	1.7
283.16959	23.9
285.14886	1.5
323.20068	12.4
335.15018	1.4
341.17111	3.3
341.21140	56.6
341.25171	3.2
341.30667	1.9
344.39563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	9.4
55.05503	10.6
56.43296	2.2
57.07090	4.6
60.63712	3.1
65.17603	2.2
67.05521	19.7
69.03419	5.5
69.07072	17.9
70.06307	10.7
71.04997	9.9
79.05492	11.3
80.08906	2.4
81.03409	4.2
81.07066	43.3
83.04987	4.3
83.08624	6.4
85.06527	6.2
91.05496	13.1
93.07059	20.6
94.04229	2.9
95.04947	7.2
95.08615	30.6
97.06539	4.5
97.10169	2.9
98.21391	2.9
103.05457	3.8
105.07026	24.2
107.04945	8.5
107.08591	11.9
109.02911	5.0
109.06533	10.3
109.10162	26.8
111.04442	3.5
111.08082	5.8
115.05476	5.8
117.07008	4.9
119.04895	4.5
119.08597	11.8
120.04489	2.9
121.06512	4.1
121.10120	18.3
122.03643	9.6
123.11720	18.8
123.59311	2.7
127.11185	6.0
128.06265	5.2
129.07016	14.8
131.04932	4.5
131.08549	3.6
133.06519	6.2
133.10153	5.8
135.11655	4.9
136.07550	3.0
137.05988	100.0
137.09602	3.4
137.13245	4.2
139.11148	6.6
143.08588	5.5
144.05649	3.1
145.06534	2.7
145.10115	3.3
147.04465	3.0
147.08025	3.3
147.11688	10.6
149.13202	4.1
151.11206	2.7
154.12282	2.8
155.10733	4.0
159.04413	2.4
159.08086	6.3
159.11670	3.2
161.06004	12.4
163.03966	3.5
163.11267	3.0
163.14786	2.7
166.08643	3.2
167.07092	8.9
167.08533	2.8
171.08105	3.2
174.06871	4.1
175.07579	27.2
178.07753	2.8
179.11778	8.4
181.06580	2.9
187.07571	23.4
188.03416	4.6
189.05449	4.7
191.08569	5.7
197.12880	39.0
199.07570	4.5
203.08580	7.3
206.07298	3.4
215.13936	5.4
217.08548	4.0
219.08122	13.8
220.08801	3.4
221.06082	3.4
221.09674	6.1
223.07433	3.2
227.07014	3.7
231.08060	7.3
234.06755	4.8
236.08406	3.8
239.06923	3.1
247.07468	2.8
248.08296	5.2
249.09038	7.4
251.10696	6.2
252.07767	2.9
253.08623	5.8
259.07681	3.2
263.07053	5.4
263.10715	4.0
265.08502	2.9
271.09534	4.4
276.07791	5.8
277.08600	4.2
279.10025	6.4
280.07397	5.0
281.08282	4.8
281.11725	11.7
287.23956	3.4
291.10141	9.6
293.08292	3.0
293.24762	5.3
294.09140	3.4
305.24741	9.5
309.07593	5.8
309.11148	10.3
311.12741	6.9
313.10605	3.8
323.09109	4.0
323.12589	4.6
323.25861	4.6
341.10150	12.0
341.13770	21.7
341.19705	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	341.2687
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
55.05515	33.9
57.03428	11.5
57.07062	13.7
67.05511	81.8
69.07070	48.3
69.30469	26.7
71.08630	8.1
79.05489	31.2
81.06601	6.3
81.07063	100.0
83.04965	4.0
83.08627	28.7
85.06544	4.2
85.08837	3.0
91.05470	24.5
93.07056	40.0
93.49454	3.1
95.08617	83.2
97.06526	13.0
97.10162	14.6
103.03924	3.1
105.07053	19.1
107.08587	25.8
109.10160	52.5
111.08068	6.7
111.11714	9.6
118.72630	2.9
119.08578	22.1
121.10148	33.1
123.11730	20.4
123.86025	2.9
125.13300	4.2
127.11150	4.4
133.10126	20.5
135.11674	22.0
137.05978	17.1
137.09650	4.1
137.13220	10.5
147.11697	12.0
149.05986	3.3
149.13261	24.0
151.14780	10.5
161.13269	19.5
163.14851	4.9
165.16435	7.1
175.07591	3.7
175.14857	10.3
202.07816	3.6
231.21100	58.2
249.22153	52.6
255.32597	3.5
265.10495	3.2
285.19131	3.2
323.25854	30.7
341.27087	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	341.2687
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
53.62759	3.1
55.05517	37.8
57.03418	9.7
57.07067	16.3
67.05503	91.8
69.07069	56.8
71.08637	9.0
79.05492	38.1
81.06599	5.7
81.07056	100.0
83.04958	6.0
83.08625	39.3
85.06531	3.7
90.79974	3.2
91.05492	24.0
93.07062	40.5
95.08613	98.7
97.06522	10.8
97.10180	19.3
98.20789	6.5
99.04411	4.5
99.08093	4.7
103.03930	4.2
105.07017	23.0
107.08585	34.1
109.10164	61.6
111.11732	6.7
119.08570	19.5
121.10124	30.5
123.08089	4.3
123.11684	23.6
133.10115	23.6
135.11699	30.9
137.05983	55.0
137.13272	11.8
137.41225	4.2
147.11723	17.4
149.13242	32.2
151.11250	3.9
151.14812	10.5
153.12755	5.3
161.13271	15.1
163.14738	5.8
165.16389	4.3
175.14813	15.4
179.14148	4.0
183.74167	3.6
189.16397	4.4
231.21083	67.1
249.22125	55.2
251.23563	3.9
323.25934	35.8
341.20966	5.5
341.26630	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	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.2
67.05505	35.9
69.07059	28.3
71.04990	41.3
79.05473	20.3
81.07063	100.0
83.08602	13.6
85.06537	10.5
91.05510	36.4
93.07040	89.4
95.04971	9.4
95.08606	73.2
97.10130	9.7
98.21622	11.5
105.07040	49.6
107.08595	89.3
109.06516	15.4
109.10154	62.2
111.08065	32.3
114.07703	6.2
117.07018	12.2
119.08594	72.4
121.10149	75.4
123.08102	6.4
123.11691	21.6
131.08566	26.0
133.10143	33.8
135.11687	45.1
137.13257	9.5
143.08513	8.9
145.10083	40.6
147.11665	31.9
149.13261	46.8
157.10107	18.1
159.11713	66.6
161.13239	32.1
163.14845	34.5
169.10028	7.8
171.11667	17.6
173.13246	37.3
175.14825	19.9
177.12646	14.1
187.14799	38.8
189.16386	23.7
191.17899	16.0
199.14813	15.6
201.16431	10.5
203.18053	11.2
213.16359	23.9
215.17902	14.6
225.16530	7.7
227.18138	12.2
241.19453	11.5
257.22617	20.3
267.20963	9.4
270.66602	6.9
283.24185	52.8
297.25955	8.1
323.27271	64.3
341.28409	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3205
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03946	2.5
55.05515	18.6
57.03433	3.2
57.07077	27.7
67.05142	1.6
67.05511	26.1
69.07076	40.1
69.43754	2.4
69.44155	6.8
70.27373	1.4
71.08633	17.5
79.05495	14.1
81.07064	100.0
83.08631	16.4
85.10188	6.3
91.05460	12.4
93.07052	33.7
95.08616	75.1
97.10170	10.8
100.87074	1.5
105.07037	26.4
107.08604	42.1
109.10164	47.9
111.11731	5.0
117.07008	2.6
119.08595	31.3
121.10158	36.8
123.11721	23.9
125.07308	1.4
131.08583	8.4
133.10149	17.5
135.11696	21.2
137.13248	14.7
143.08595	2.6
145.10110	11.2
147.11708	20.8
149.13289	21.5
151.07564	2.8
151.14856	4.1
159.11745	10.5
161.13261	22.0
163.14838	16.4
164.41385	1.3
165.16380	1.7
173.13277	9.1
175.14842	10.6
177.16431	8.7
185.13310	1.8
187.14841	5.2
189.16383	14.2
189.17784	1.7
191.17990	6.0
201.16368	4.7
203.17984	15.7
205.19601	3.1
215.17961	5.2
217.19540	18.3
219.21162	1.8
227.18132	2.1
229.19588	4.3
231.21080	8.5
243.21179	2.8
245.22710	4.5
257.22794	3.4
259.24170	3.0
267.26672	2.1
271.24274	5.5
285.25641	3.1
323.27286	3.0
341.21335	2.5
341.32184	68.4
341.36188	2.4
349.82187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25216	1.5
57.03422	4.2
59.98315	1.7
61.02914	1.9
69.03426	5.3
69.82247	3.6
69.82652	6.8
70.06608	9.1
71.04989	4.0
71.08625	7.7
73.02898	1.9
79.05515	3.7
81.07060	14.5
84.08118	2.7
84.80322	1.9
85.02915	16.8
85.06564	2.0
97.02895	6.3
99.08094	20.4
104.20332	1.7
109.06512	16.0
110.07154	4.0
117.09138	100.0
127.03936	2.3
127.07574	46.6
145.04997	5.1
162.05504	2.2
163.03850	2.1
163.09686	19.3
180.06566	5.2
180.08676	4.7
180.12334	3.5
262.53506	1.9
290.96088	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.7
57.07078	57.5
65.55999	2.9
67.05501	8.6
69.03425	7.7
69.47734	19.4
70.06593	9.4
72.08157	17.5
74.39543	2.9
79.00551	3.2
81.03397	2.8
84.04491	6.2
85.02898	16.6
85.06548	36.1
86.09698	24.7
95.04967	21.5
97.02884	3.4
103.06898	6.4
103.07583	100.0
113.05992	4.4
116.07074	3.2
118.08673	4.8
122.03716	3.2
127.03912	3.0
127.07557	76.8
132.10245	5.6
134.17764	3.0
137.06038	3.3
138.06378	3.0
145.08614	19.2
163.09680	53.8
178.05054	3.1
180.96196	2.7
183.11198	3.8
197.12898	4.3
301.32083	2.8
312.13141	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.1
61.02926	2.6
69.03436	6.1
70.06594	16.9
70.77293	6.1
71.04981	3.7
71.08638	10.3
72.08127	3.2
79.05509	2.2
81.07065	19.9
84.08150	3.2
85.02911	23.8
85.06535	4.8
86.09705	5.2
97.02902	8.2
99.08108	21.4
107.04976	2.6
109.06535	18.6
110.07159	8.5
117.09140	100.0
127.03900	4.8
127.07553	46.7
133.04268	2.0
145.05040	6.1
162.05510	4.3
163.09685	20.1
180.06549	6.5
180.08653	3.9
241.78113	2.5
360.02750	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54967	1.6
55.05513	9.1
56.89626	1.8
57.07074	13.4
58.84494	1.7
61.02929	2.0
64.00460	1.6
64.49680	1.6
69.03429	4.4
69.24850	13.1
70.06595	31.8
83.08621	3.6
85.02908	16.4
86.09701	10.2
89.06040	36.8
97.02899	3.2
97.69710	2.1
101.09671	17.2
107.07072	46.2
127.03970	4.3
130.08699	2.5
133.08870	4.9
134.09192	3.1
137.05988	2.6
145.05026	2.6
148.11217	50.2
149.11574	43.6
163.13300	100.0
183.14914	9.6
195.11270	2.6
211.14392	4.3
342.18784	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
53.65471	1.5
55.01885	2.3
57.03431	5.5
57.07059	1.8
57.91999	1.5
59.05015	1.5
61.02932	5.4
68.92335	1.4
69.03433	18.4
71.05010	2.5
71.33120	2.1
73.00906	1.3
73.02896	2.4
79.05477	4.3
81.03416	6.5
81.07071	8.2
81.72049	1.3
83.04984	8.1
85.02911	46.3
86.09708	2.1
87.04461	2.3
91.03988	2.2
91.05506	3.5
93.07059	8.6
95.04974	22.0
97.02894	15.2
97.06549	5.5
99.04467	4.9
99.42534	1.4
102.70631	1.4
105.07049	8.4
107.04957	1.6
107.08606	10.3
109.02887	4.1
109.06504	3.8
110.44261	1.3
117.07027	3.0
119.08618	4.7
121.06501	4.6
121.09385	1.9
121.10137	10.6
125.05992	18.2
127.03931	9.4
129.07095	1.5
130.07794	3.1
135.11722	7.2
145.04967	11.9
145.10143	16.6
150.55827	1.3
163.05981	1.8
163.11194	100.0
164.11601	1.5
165.12767	3.9
175.11162	1.7
179.77228	1.4
181.12251	25.8
205.12183	1.7
223.13275	1.9
224.76678	1.4
257.49753	1.5
307.15549	1.9
334.50378	1.5
343.17703	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	15.8
55.01867	15.9
55.05507	34.3
57.03442	15.2
57.07067	8.0
61.02904	8.1
63.04718	7.9
67.05499	27.0
68.40054	8.4
69.03423	37.9
69.07065	21.5
70.02415	14.6
70.02840	33.9
70.06583	18.2
71.04990	14.3
72.08152	23.0
73.02882	12.0
74.81435	6.3
74.81963	8.3
77.72073	7.6
79.05492	41.3
81.03416	29.2
81.07059	90.2
83.04990	20.2
84.08183	12.8
85.02911	74.5
85.05485	7.2
85.06551	20.7
86.09711	25.6
91.05469	48.4
91.81415	7.1
93.07048	73.7
94.79897	7.3
95.04954	41.8
95.08615	60.9
97.02878	28.3
97.06531	11.9
97.10141	10.4
99.04452	16.5
103.05482	14.2
105.07038	100.0
107.04967	93.4
107.08605	81.5
109.02885	10.8
109.06516	17.6
109.10149	23.5
111.04458	12.0
117.07022	13.0
117.99111	8.1
119.04993	7.9
119.08587	62.4
121.06525	10.4
121.10119	43.6
123.04401	23.7
123.11711	14.1
125.05988	28.0
127.03920	11.0
129.05515	9.1
129.06964	12.9
131.04900	14.2
131.08548	30.0
133.10135	36.9
135.11710	21.1
137.05954	34.9
141.06973	12.2
143.08598	41.0
145.04955	12.1
145.10143	84.2
147.11687	72.0
149.06006	10.2
149.13303	82.8
153.07010	8.8
155.08521	16.0
157.10146	20.6
159.11734	47.9
161.05943	13.6
161.13269	54.8
163.11185	88.9
163.14865	55.4
165.12767	11.2
167.14311	66.3
171.11591	13.1
173.13269	29.2
175.07388	9.5
175.14850	10.0
181.04919	9.6
181.12253	19.6
183.11720	13.8
185.13293	34.7
187.14827	35.5
190.04950	32.4
195.11815	12.3
199.14795	23.8
203.14337	11.0
211.14810	10.3
213.12744	17.8
217.15848	11.2
225.16397	9.4
229.15862	32.4
247.17049	12.4
271.16925	11.7
289.17920	27.7
297.18140	11.1
307.18951	23.5
343.12228	16.0
343.20859	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	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01866	10.2
55.05522	20.6
57.03429	9.4
57.07073	9.9
59.05004	6.8
67.05509	33.5
69.03445	16.1
69.07069	12.3
71.05001	19.4
77.03895	3.0
79.05508	29.7
81.03429	5.9
81.07061	36.0
82.67435	2.6
83.04974	5.9
83.08627	3.9
85.06543	5.8
91.05492	40.4
93.07048	80.3
93.28221	2.4
95.04386	3.2
95.04980	63.4
95.08614	100.0
97.06530	21.8
103.05470	4.3
105.07033	94.3
107.04953	10.4
107.08601	60.1
109.06521	16.5
109.10159	7.9
111.08054	2.9
115.05453	7.1
116.06201	3.5
117.07027	36.0
119.08591	32.7
121.06521	18.0
121.10166	24.3
122.07318	2.9
123.08066	31.6
123.11712	2.7
125.05991	4.0
128.06226	5.5
129.07011	7.8
130.07811	22.3
131.08565	14.1
133.06465	10.0
133.10144	21.3
135.08072	30.5
135.11688	16.0
137.06004	3.1
137.09619	5.4
141.06979	4.0
143.08588	18.5
143.85204	2.6
145.06532	2.8
145.10132	96.6
146.10416	3.6
147.08051	16.6
147.11685	7.5
149.09618	4.4
151.07552	57.0
153.09157	3.3
155.08568	3.5
155.10606	3.2
156.09375	2.6
157.10149	10.0
159.08118	5.0
159.11674	12.9
160.08702	2.4
161.09625	13.9
161.13292	5.5
163.11189	73.9
165.09099	16.7
169.10135	5.9
171.11722	7.5
173.09628	8.4
173.13213	4.1
175.11209	9.2
177.09143	6.5
179.07050	4.3
181.10071	3.2
181.12274	4.3
183.11688	4.0
185.13278	2.9
187.11234	8.1
189.12752	13.1
191.14336	3.8
197.11697	3.7
197.13318	3.3
201.12773	4.3
203.14305	13.2
207.13808	7.4
209.13396	5.4
209.15297	5.4
215.14461	3.5
221.15373	37.7
225.12778	3.6
233.15492	4.5
240.23238	13.1
241.16170	2.7
243.13997	4.0
263.16479	7.1
265.19678	3.7
286.19312	7.2
287.20068	4.1
307.20609	4.3
325.21793	9.7
343.08356	15.4
343.22711	94.3
343.26364	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	11.0
55.01862	8.1
55.05509	21.2
57.03426	9.1
57.07071	10.6
58.13881	3.1
59.05011	5.1
62.75743	3.1
63.86821	3.2
67.05511	36.2
69.03439	14.5
69.07079	14.3
71.04996	26.7
71.48563	5.1
73.00492	2.7
79.05494	29.1
81.03417	4.2
81.07056	41.5
83.04986	9.6
83.08623	8.2
85.06533	5.2
85.23958	2.7
87.04450	4.1
91.05477	44.6
93.07047	86.5
95.04971	63.0
95.08614	96.8
97.06517	19.5
97.10203	6.0
103.05500	5.8
105.04553	3.9
105.07037	84.8
107.04951	8.7
107.08595	60.3
108.05707	2.8
109.06505	20.5
109.10135	7.2
115.05447	7.7
117.07015	39.4
119.08591	29.8
121.06519	17.9
121.10169	16.0
123.08064	30.9
123.11671	4.0
125.09644	4.1
129.07027	6.5
130.07802	19.9
131.08569	16.1
133.06531	5.3
133.10101	20.2
135.08066	28.0
135.11700	21.9
137.09619	7.3
142.07831	3.2
143.08575	15.9
145.06528	3.1
145.10124	100.0
147.08063	12.6
147.11707	6.5
149.09599	8.8
151.06450	5.2
151.07567	61.7
153.09125	5.2
155.08574	9.3
157.10126	12.0
159.08092	4.4
159.11758	14.5
161.09599	13.4
163.11176	66.9
165.09167	23.3
169.10097	7.2
171.11716	8.4
173.09698	4.1
173.13309	5.6
174.10367	3.0
175.11241	7.1
177.09074	7.2
179.07059	4.9
183.11723	3.6
185.09607	3.7
185.13304	3.5
187.11220	5.5
189.11276	3.7
189.12714	13.5
191.14224	3.2
195.11774	4.6
197.13274	5.8
201.12675	3.3
203.14372	7.8
207.10127	3.6
207.13783	6.2
211.14825	4.4
213.12730	4.0
215.14397	4.4
217.12193	4.4
221.15347	29.8
225.12747	5.3
239.97906	2.8
240.23216	4.7
251.14456	3.7
263.16367	7.0
286.19415	6.7
287.16351	3.5
325.21490	16.1
343.08273	3.6
343.18835	5.8
343.22717	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02367	2.8
53.03934	6.8
55.01862	8.5
55.05517	19.5
57.03419	6.9
57.03688	2.1
57.07058	8.9
59.04987	6.5
60.24482	1.8
65.03934	4.9
67.05507	28.7
69.03426	9.5
69.07067	10.4
69.82185	1.8
71.04999	22.4
71.22675	4.1
79.05499	28.3
81.03406	5.8
81.07060	40.8
83.04969	7.6
83.08624	4.3
85.06557	4.9
89.08768	2.2
91.05479	41.7
93.07045	79.6
95.04974	67.6
95.05576	3.7
95.08611	86.9
97.06542	16.6
103.05458	5.0
105.04441	2.1
105.07034	90.7
107.04942	7.4
107.07880	4.2
107.08595	67.5
109.06512	15.3
109.10152	8.4
111.08079	3.7
115.05468	7.6
116.06168	2.3
117.07030	33.7
119.08582	35.6
119.09389	3.9
121.06494	22.2
121.10134	22.4
123.08062	32.4
123.11690	2.0
125.05989	3.2
128.06213	6.8
129.06993	8.2
130.07791	20.5
131.08575	15.6
133.06485	8.6
133.10129	20.7
135.08078	26.2
135.11678	18.0
137.05969	4.2
137.09605	7.7
141.07007	2.4
142.07762	5.6
143.08533	12.7
144.09375	2.3
145.06441	2.9
145.10130	100.0
147.08011	13.1
147.11725	9.6
149.09583	7.5
151.07541	60.4
153.09082	3.8
155.08566	4.5
156.09320	4.2
157.10130	13.8
159.08067	3.8
159.11694	9.9
161.09598	9.1
161.13225	4.6
163.07568	2.7
163.11176	70.0
165.09128	20.6
167.08624	3.6
169.10092	6.1
171.08064	2.8
171.11682	7.6
173.09674	6.9
173.13274	7.6
175.11163	7.2
177.09151	6.7
178.75517	1.9
179.07082	3.2
179.10664	2.1
181.10165	3.2
181.12270	4.0
183.11739	3.5
187.11174	6.0
187.14833	2.8
189.09103	4.2
189.12846	13.1
191.14224	2.7
195.11752	2.7
197.11716	2.3
197.13275	4.6
199.11234	4.0
203.14311	13.3
205.15732	2.1
207.10078	3.3
207.11926	2.8
207.13795	7.9
209.13243	3.4
209.15277	4.7
213.16396	3.7
215.14308	5.1
221.13385	3.8
221.15366	30.3
225.12758	2.3
225.16455	2.6
233.15363	3.4
240.23209	8.5
241.15826	2.0
245.15338	3.6
263.16479	8.3
269.15506	2.9
274.19397	3.7
286.19266	6.3
287.16495	2.1
287.19992	3.4
306.99976	2.5
325.21539	12.7
343.22684	88.6
343.25836	4.5
344.23157	2.9
346.31326	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
55.01847	7.1
55.05507	29.2
57.07051	17.7
67.05492	31.6
69.03423	25.5
69.07068	60.4
70.22491	25.8
71.05006	7.6
79.05501	31.2
81.03410	7.8
81.07040	55.4
83.04976	12.0
83.08622	28.8
85.02918	41.4
85.06533	16.5
91.05481	28.8
93.07047	100.0
93.89623	7.3
95.04970	53.0
95.08614	61.3
97.02884	12.3
97.06519	18.2
97.10207	10.9
101.83248	7.3
105.07038	31.9
107.04951	52.7
107.08596	41.7
109.06530	16.6
109.10175	36.1
111.08098	11.3
117.07036	12.1
119.08587	26.3
121.02920	7.5
121.10152	45.8
123.11684	17.0
125.06049	9.3
127.03882	13.8
131.04939	10.0
133.10162	19.6
135.08035	11.2
135.11700	16.4
137.05934	17.8
137.13307	9.9
143.08565	9.4
145.10152	30.7
147.11691	14.2
149.13271	10.3
159.11690	7.7
160.05272	6.7
163.11174	70.4
167.93712	8.1
181.12143	34.9
185.09723	8.3
237.09056	8.2
307.26270	9.6
325.10645	8.4
343.12000	12.1
343.24500	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	56.3
57.03432	19.6
57.07075	37.2
60.68026	4.1
61.85887	4.3
67.05508	84.6
69.07069	91.3
70.03417	8.0
70.03830	14.6
71.08636	31.7
75.04453	6.7
79.05502	50.5
81.07059	94.6
83.08620	57.8
85.10184	20.0
89.26260	4.2
91.05502	10.8
93.07046	67.3
95.08057	8.5
95.08610	77.6
97.06541	36.4
97.10168	50.3
103.03964	6.8
107.08595	45.6
109.10156	38.2
110.65842	4.4
111.08088	12.8
111.11736	18.3
121.10152	100.0
123.11723	23.9
125.09649	7.7
135.11697	89.7
137.13261	15.0
139.11177	6.8
149.13260	34.7
151.14784	12.5
153.12762	6.3
163.14830	16.9
177.16400	12.6
191.10727	4.6
191.17924	4.0
195.17622	4.1
233.22649	94.7
240.23312	6.1
251.23714	63.9
269.24933	6.5
325.27444	39.2
343.28641	5.6
343.37640	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32497	4.8
53.00486	4.2
53.03946	8.6
55.01876	5.8
55.05515	23.9
56.51438	5.6
57.03426	6.7
57.07076	6.3
67.05512	30.2
68.20306	5.3
69.03425	17.2
69.07069	52.6
69.16384	17.3
69.16805	32.2
70.06605	5.7
71.04991	11.0
79.05479	14.5
79.79620	5.0
81.03424	14.2
81.07072	49.9
83.04956	12.0
83.08608	23.2
85.02908	27.3
85.06545	5.6
91.05492	39.4
93.07050	100.0
95.04980	31.7
95.08614	60.3
97.02912	9.6
97.06547	17.4
97.10191	10.5
98.20797	9.4
99.04427	5.4
103.05468	8.5
105.07041	31.6
107.04931	32.7
107.08582	44.5
108.06670	4.5
109.06563	7.7
109.10159	42.0
111.08077	12.1
117.06995	8.2
119.04940	11.6
119.08575	25.6
121.06525	13.4
121.10143	43.5
123.08068	9.2
123.11725	18.0
125.05994	9.7
125.09625	13.0
130.07753	6.4
131.04922	34.3
131.08588	10.6
133.06462	4.8
133.10095	11.4
135.11703	15.6
136.95412	4.6
137.05962	18.6
137.09671	7.8
137.13290	9.5
143.08640	4.7
145.04993	6.4
145.10167	27.4
147.11685	14.3
149.13264	20.8
151.11177	5.9
157.10110	6.5
159.11700	11.3
161.13272	6.4
162.03055	7.5
163.11198	50.5
163.14876	5.9
167.08452	6.5
169.10062	6.9
173.13332	7.2
175.14879	7.4
181.12273	14.8
211.07402	5.8
212.14406	12.9
213.14688	30.0
215.07137	7.0
225.09094	13.6
237.08977	7.4
244.20145	4.7
245.15619	5.3
271.24081	5.6
293.25797	4.7
295.26633	6.2
307.26352	15.9
343.12363	17.6
343.24698	99.6
344.25769	9.0
353.51144	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
55.01847	7.1
55.05507	29.2
57.07051	17.7
67.05492	31.6
69.03423	25.5
69.07068	60.4
70.22491	25.8
71.05006	7.6
79.05501	31.2
81.03410	7.8
81.07040	55.4
83.04976	12.0
83.08622	28.8
85.02918	41.4
85.06533	16.5
91.05481	28.8
93.07047	100.0
93.89623	7.3
95.04970	53.0
95.08614	61.3
97.02884	12.3
97.06519	18.2
97.10207	10.9
101.83248	7.3
105.07038	31.9
107.04951	52.7
107.08596	41.7
109.06530	16.6
109.10175	36.1
111.08098	11.3
117.07036	12.1
119.08587	26.3
121.02920	7.5
121.10152	45.8
123.11684	17.0
125.06049	9.3
127.03882	13.8
131.04939	10.0
133.10162	19.6
135.08035	11.2
135.11700	16.4
137.05934	17.8
137.13307	9.9
143.08565	9.4
145.10152	30.7
147.11691	14.2
149.13271	10.3
159.11690	7.7
160.05272	6.7
163.11174	70.4
167.93712	8.1
181.12143	34.9
185.09723	8.3
237.09056	8.2
307.26270	9.6
325.10645	8.4
343.12000	12.1
343.24500	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.05501	23.8
57.07069	6.6
62.56953	4.4
67.05492	24.4
69.03425	15.8
69.07078	54.7
69.39880	31.5
69.40302	10.8
70.06597	7.1
71.04974	11.6
72.09312	4.9
78.41556	5.1
79.05479	22.8
81.03396	8.0
81.07053	61.2
83.04967	7.7
83.08628	27.9
83.09048	6.3
85.02897	24.3
86.09750	5.0
91.05482	35.3
93.07041	100.0
95.04957	40.7
95.08610	45.6
97.02887	9.1
97.06513	9.4
97.10136	7.4
98.20785	8.5
105.07021	25.0
107.04951	17.1
107.08607	33.1
109.10171	30.1
111.08074	13.0
117.07024	11.0
118.00976	5.0
119.08584	18.5
121.06483	6.1
121.10161	42.2
123.08080	8.1
123.11706	22.9
125.09611	6.9
127.03958	6.4
131.08556	5.7
133.10072	8.6
135.08038	5.4
135.11679	15.6
139.11163	5.9
145.04877	5.9
145.10139	17.1
147.11693	8.7
149.13251	11.8
159.11678	12.0
163.11172	55.8
175.14761	9.7
181.12239	15.2
186.04146	4.7
190.17636	5.4
191.96399	4.8
201.16359	5.4
215.18053	6.4
289.25308	6.0
307.26376	14.6
343.11905	15.6
343.19067	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02111	2.5
52.99859	2.2
53.03953	3.4
55.01880	3.0
55.05515	71.7
56.81234	2.3
57.03444	16.0
57.07079	44.6
63.40813	2.2
67.05509	86.7
68.38968	2.3
69.07074	98.2
69.83939	4.7
69.84350	8.9
71.04981	2.8
71.08636	27.0
77.37902	2.8
79.05499	61.8
80.12983	2.4
81.06596	5.2
81.07059	92.9
83.04978	5.4
83.08624	57.9
85.06532	3.2
85.10177	12.6
91.05469	6.8
92.19829	2.3
93.07051	73.0
95.08614	82.5
97.06540	40.6
97.10178	44.1
99.08063	5.0
103.03952	8.3
104.59206	2.8
105.07037	6.2
107.08604	56.3
107.24689	2.3
109.10165	33.2
111.08107	13.0
111.11740	18.3
111.12409	3.4
121.10158	100.0
123.11714	12.8
125.09625	8.6
125.13291	3.3
129.05502	3.6
129.12744	4.9
131.08542	3.7
135.11697	68.5
137.13278	13.7
139.11180	6.1
149.13275	31.6
151.14818	16.3
153.12752	4.8
155.14322	3.1
163.14862	13.5
167.14330	5.1
177.16412	9.8
181.15909	3.1
189.11249	2.7
191.17932	2.4
233.22665	82.0
234.22960	2.7
251.23744	61.6
255.01350	2.7
269.24692	6.3
325.27344	39.7
339.77362	3.2
343.28430	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85932	0.7
57.03426	1.1
61.02918	2.4
68.65694	0.8
69.03419	3.6
70.06591	4.3
70.86296	1.0
70.86618	1.4
71.04969	1.0
74.68285	0.7
75.24664	0.7
76.92208	0.7
81.03413	1.2
84.04499	0.8
84.08123	2.3
84.79955	0.8
85.02438	1.1
85.02914	14.8
86.09689	2.2
88.04013	1.5
89.06030	0.8
91.05495	4.2
97.02888	3.5
99.04440	1.1
103.83096	0.8
109.02908	1.9
112.49310	0.9
116.07088	2.7
119.04957	15.1
123.04384	1.6
127.03901	2.5
129.10239	2.6
145.04955	3.6
147.04419	100.0
163.06035	0.8
165.05489	47.5
166.05798	0.8
180.08727	1.3
276.79852	0.8
368.76532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01877	1.4
55.05514	23.5
56.05040	9.6
57.07069	3.0
57.08494	0.7
67.05517	5.6
69.07075	9.6
71.04977	1.5
72.08152	1.5
73.34843	0.7
79.05495	3.7
81.03416	0.9
81.07056	7.0
82.06585	17.1
82.07352	0.9
83.04980	10.3
83.08605	6.2
84.07645	0.7
84.08151	12.4
85.02912	1.1
85.06546	4.2
85.10171	0.8
91.05501	1.2
93.07024	3.6
94.07323	0.7
95.08606	5.0
97.06525	2.0
97.10161	3.8
100.07623	100.0
101.06014	1.1
102.09163	1.1
105.07075	0.8
107.04987	1.5
107.08607	3.1
107.14117	0.8
109.10160	2.0
111.04458	11.4
111.08067	1.1
121.10159	3.4
125.09666	0.7
128.07086	44.8
129.05490	16.2
135.11766	0.9
146.08128	81.2
163.14883	2.6
171.96721	0.7
174.89729	0.7
181.15875	0.7
298.23767	1.0
326.23227	25.3
326.27014	1.4
344.12411	0.9
344.24323	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59055	2.6
53.03936	4.4
55.05512	19.4
56.05030	3.8
57.03432	12.6
62.84875	2.5
67.05508	30.6
69.03440	7.8
69.07072	24.5
69.82894	15.1
70.06600	5.1
71.04998	10.0
76.58616	3.5
78.47994	2.8
79.05505	30.7
81.03419	11.7
81.07058	36.0
83.04973	6.0
83.08611	7.1
85.02894	4.1
85.06573	4.5
85.67322	2.9
86.09708	4.2
88.07616	4.2
91.05479	18.6
93.07057	33.6
95.04985	16.2
95.08613	18.1
96.08163	6.2
97.06532	30.6
97.10182	11.3
98.21499	5.5
105.07035	14.7
107.04974	9.8
107.08573	15.5
108.08112	4.5
109.06520	6.6
109.10160	6.7
112.06823	3.2
115.07586	4.1
116.10723	14.1
117.07078	8.4
119.08603	11.6
121.06536	3.3
121.10181	9.1
125.09647	14.0
131.08562	9.8
133.10150	9.8
134.77696	2.9
135.08060	7.0
135.11681	3.3
137.06029	3.4
143.08527	4.2
145.10126	7.0
149.09665	3.6
153.05876	3.6
154.12294	5.3
159.07997	3.1
161.09755	3.7
162.97798	3.0
168.66464	2.8
177.12715	6.3
187.11156	4.1
187.13557	7.7
189.11267	12.9
198.18541	4.0
200.14331	6.7
214.16068	8.7
273.18506	3.8
291.19620	6.6
308.22168	6.0
326.23294	6.2
328.22720	7.0
344.25977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32092	4.5
53.03969	4.3
54.06298	3.7
55.01871	4.7
55.05508	8.1
57.03417	8.2
61.79971	4.0
67.05509	29.3
68.06741	4.3
69.07067	35.9
69.14088	39.0
71.04987	10.9
79.05498	22.0
81.03426	14.5
81.07058	27.0
83.05003	8.2
84.08159	4.5
91.05478	17.2
93.07043	23.0
95.04970	17.5
95.08620	14.3
97.06535	100.0
105.07059	11.0
107.04957	19.5
107.08607	12.7
109.10127	6.2
115.07567	20.9
116.10747	8.9
117.06995	5.8
119.08588	8.5
121.10117	7.8
131.08588	7.0
133.10126	7.1
145.10214	4.7
147.04401	4.8
157.10078	7.2
159.11693	6.0
177.12730	6.8
200.50006	4.5
209.10280	4.2
214.16075	8.8
291.19409	5.0
319.69293	4.3
324.48663	4.5
344.09494	15.1
344.26022	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.1
54.81671	7.4
55.01875	13.2
55.05509	25.3
57.03450	9.1
67.05508	50.9
69.07076	78.3
70.09227	11.7
70.09579	31.6
71.04990	30.2
73.02913	9.1
73.26522	9.6
74.09716	82.5
79.05502	57.9
81.03419	34.6
81.07062	64.6
91.05473	39.4
93.07048	52.4
95.04958	45.3
95.08613	33.6
97.06531	70.7
98.20790	8.4
105.07035	39.6
107.04974	57.7
107.08605	27.0
109.06509	20.1
109.10139	18.2
113.06023	8.4
115.07558	30.1
117.07024	23.1
119.08589	34.0
121.06522	8.8
121.10116	10.2
131.08572	23.1
133.10132	13.7
133.73285	9.6
143.08603	11.6
145.10150	14.6
147.04414	10.7
149.09558	11.2
149.13329	9.3
151.08003	8.6
157.10146	11.2
158.09465	8.5
159.11757	10.4
161.09595	10.4
161.13339	8.3
163.11143	11.8
223.13203	12.9
273.18539	14.4
291.19650	11.5
344.25995	100.0
345.11072	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	344.2433
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
53.03934	0.6
55.01882	1.2
55.05514	21.5
56.05040	9.7
57.03436	0.7
57.07074	2.6
59.05007	0.6
67.05511	6.4
69.07076	10.1
70.06573	0.5
70.38351	1.2
71.05000	0.7
71.08639	0.4
72.08157	1.6
73.06551	0.5
79.05505	3.5
81.07064	6.9
82.06586	15.9
83.00257	0.5
83.04987	10.2
83.08614	7.0
84.08148	12.5
85.02927	0.7
85.06555	3.4
87.83767	0.4
91.05496	0.8
93.07045	3.8
95.04967	0.9
95.08617	5.2
97.02957	0.5
97.06521	2.1
97.10173	3.8
100.07622	100.0
101.06026	1.5
101.07950	0.7
102.09187	0.5
105.07010	1.0
106.06526	0.6
106.74188	0.5
107.04977	1.0
107.08599	3.1
109.10175	1.2
111.04446	9.0
111.08082	1.2
115.07542	0.6
119.02509	0.4
119.08590	0.6
121.10147	2.5
123.11788	0.6
125.09637	0.8
128.07088	45.2
129.05486	17.1
132.08864	0.5
133.10185	0.6
135.11688	0.6
136.12064	0.5
137.06029	1.0
146.08127	78.6
147.08435	0.7
147.11610	0.6
163.13622	0.4
163.14786	2.4
164.11578	0.6
181.15814	1.1
215.02005	0.4
242.51741	0.4
271.06323	0.5
298.23557	0.7
308.22186	0.9
326.23257	25.1
344.24332	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	344.2544
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
51.72784	0.5
54.50587	0.6
55.05274	0.5
55.05503	3.6
56.05029	0.5
57.05820	0.8
69.03436	0.6
69.07075	6.2
70.06587	2.3
71.35931	0.6
72.08155	50.8
84.08141	0.6
86.09705	100.0
87.10033	1.0
107.04951	0.7
120.67291	0.6
132.10213	2.3
137.05963	1.3
177.24849	0.5
185.16492	50.0
186.16815	0.7
199.16457	0.6
199.18149	2.3
213.15991	18.6
227.17526	0.7
231.17044	2.1
245.18666	3.5
275.72400	0.6
345.13525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1158
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.05516	4.7
56.05027	1.4
60.05634	1.2
65.80215	0.8
67.05521	0.8
69.03410	1.9
69.07055	2.0
69.37467	3.4
69.37891	2.6
70.02934	0.8
70.06596	12.6
72.08160	50.9
76.80196	0.7
79.05463	0.7
81.03417	1.3
81.07048	1.2
84.04508	0.9
84.08156	4.7
85.02902	2.1
86.09713	23.9
87.05589	3.1
88.04008	3.8
89.06010	1.5
91.05474	1.8
93.04532	0.9
93.07061	1.8
95.05013	0.9
95.08626	1.1
96.08121	1.6
97.02901	1.2
98.02438	1.6
98.97599	1.4
101.38095	0.8
103.05451	1.9
107.04964	2.0
109.06517	0.8
110.02419	1.4
110.07177	10.5
110.97598	1.1
112.08687	1.2
115.05025	0.8
116.07017	0.9
120.08108	6.9
123.04411	1.1
124.07544	1.3
127.00060	0.9
127.08680	3.4
129.10249	7.6
132.10213	0.8
137.05988	4.8
137.06903	1.1
138.09154	1.8
141.10190	4.7
143.11797	3.3
145.05051	0.7
148.04726	0.9
156.95279	0.8
164.04135	0.8
166.08630	1.2
167.06989	1.0
169.09746	3.9
171.11331	1.5
173.27286	0.7
175.10706	1.6
183.03073	1.0
185.04213	1.5
186.12399	9.1
187.10817	1.1
189.12350	2.6
200.13953	1.7
201.12471	0.8
209.10461	1.4
212.09346	1.0
214.11844	5.9
215.10175	0.9
227.05203	1.4
227.11551	1.0
246.14467	1.2
253.03656	3.3
259.11548	2.7
271.04245	3.1
287.05511	3.2
301.12601	20.4
345.11554	100.0
345.22440	5.1
346.11957	1.2
361.02390	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18044	4.5
55.01864	5.8
55.05506	9.0
57.03420	4.9
67.05503	7.3
67.67195	4.8
69.07062	9.4
70.06580	14.5
71.48625	5.1
81.07057	23.4
83.04984	5.0
84.08125	12.8
86.09708	6.4
91.05470	17.7
93.07037	11.0
95.04986	5.7
95.08609	14.9
97.06515	5.4
103.05463	16.9
105.07011	13.9
105.33201	4.8
107.04945	14.8
107.08588	9.9
109.10101	5.5
111.07998	4.9
113.22832	4.4
119.08553	5.9
120.08109	4.8
121.10133	7.4
122.03579	6.1
123.04455	8.1
123.11683	5.9
131.04903	13.2
133.06491	16.6
135.08046	8.1
137.05998	100.0
137.09644	8.4
145.06499	7.2
145.10065	6.5
151.07509	8.7
153.05499	19.1
153.06813	4.7
155.06009	6.6
163.07552	32.6
171.31482	5.0
171.63799	4.8
175.82442	4.6
191.03436	7.9
191.07022	9.5
211.07524	5.5
229.05855	4.6
281.05600	5.7
313.10712	10.7
317.11691	5.0
326.80368	4.6
327.06058	5.3
327.23398	4.8
337.13214	4.7
345.06790	6.6
345.10327	8.6
345.13852	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	345.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05516	11.8
56.05040	1.0
57.05821	0.9
67.05521	0.8
69.03445	0.9
69.07065	3.6
70.02958	2.5
70.06596	8.2
71.48197	1.0
72.08159	100.0
72.93800	0.7
74.06110	0.7
81.03452	1.1
81.07089	0.7
82.06592	1.6
84.04509	1.3
84.08145	5.2
85.02916	2.4
85.04034	1.3
86.09712	28.7
87.05595	9.3
88.04025	2.0
89.97697	0.7
91.05505	2.1
96.08148	2.2
97.02933	1.0
97.34848	0.7
98.02416	5.9
99.09244	2.7
104.53874	0.6
107.04958	1.9
109.02906	0.9
110.02425	5.5
110.06078	0.8
110.07198	0.9
112.08703	1.4
113.10795	2.4
116.07134	3.1
120.08142	2.6
121.10101	0.7
122.03605	0.6
124.04002	0.9
124.07614	5.2
127.08685	9.0
129.10294	1.5
130.08688	0.8
132.10164	3.9
136.07616	2.0
137.05980	3.8
138.09187	2.6
141.10231	13.6
143.11816	2.6
152.07085	2.5
155.11859	2.3
158.44641	0.9
158.97382	1.3
165.07013	0.7
166.08646	7.6
169.09720	9.5
169.10953	0.7
171.11296	0.9
175.10796	1.9
176.98463	0.7
177.18002	0.8
183.11404	2.6
186.12387	27.8
187.10800	3.5
197.09207	5.9
199.11063	0.7
199.17999	0.7
200.13963	4.9
201.12392	0.9
211.10876	1.8
212.09174	4.7
214.11865	23.0
217.26009	0.7
228.13507	2.8
229.11841	4.7
231.17107	0.9
234.99187	1.8
241.15826	0.9
246.14462	8.9
272.67557	0.7
276.29874	0.8
282.18115	3.8
287.05566	1.1
301.12656	3.2
311.16284	2.0
328.19263	1.8
333.03687	0.8
345.06631	2.1
345.11359	14.1
345.22247	4.5
345.26178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2789
Annotation	Cardanolide
Peak:m/z	Relative Intensity
53.03926	2.7
55.05513	20.1
56.68391	2.6
57.07080	4.2
67.05511	36.2
69.06735	4.1
69.07076	50.7
69.18045	25.5
73.19222	2.2
74.06339	2.5
78.60448	2.5
79.05489	26.7
81.07056	41.7
83.08630	8.4
87.43860	2.2
91.05482	33.3
93.07041	44.7
95.04996	3.1
95.08615	47.5
97.06538	3.1
97.10194	4.7
105.07036	44.1
107.04953	3.3
107.08595	27.4
107.72552	2.4
109.06471	2.7
109.10174	21.3
111.77267	2.5
114.58641	2.6
117.07020	8.0
119.08589	47.3
121.10158	21.3
123.11736	6.7
131.08551	12.6
133.10144	34.2
135.11703	19.0
137.13301	3.2
141.69322	2.7
145.10091	13.0
147.11681	25.7
149.13272	9.2
157.10117	5.2
159.11679	8.5
161.13290	20.2
163.14816	4.9
169.10425	2.3
173.13278	7.1
175.14822	11.7
189.16412	7.6
191.98695	2.7
203.18030	4.9
217.19455	2.9
234.25710	2.4
235.16925	3.6
275.19992	14.4
277.21661	14.8
303.23294	3.1
327.26984	5.1
345.27905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2789
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03938	3.1
55.01866	1.0
55.05515	17.5
55.46723	1.2
57.07072	2.5
65.03928	2.5
67.05508	36.6
69.07072	18.0
70.68735	3.1
71.04975	1.4
79.05496	21.0
81.07061	53.2
83.04996	1.3
83.08623	6.9
85.06556	1.9
91.05484	28.9
93.06495	1.6
93.07051	29.1
95.04964	1.6
95.08612	45.2
97.06516	1.9
97.10156	4.4
105.04526	1.1
105.07037	55.6
107.04962	1.7
107.08592	24.5
109.06496	1.6
109.10159	21.8
111.08102	2.3
112.74397	1.0
117.07009	7.1
119.08590	45.0
121.10145	21.4
121.10937	0.8
123.08050	1.3
123.11724	11.6
129.07001	1.0
131.08586	13.6
133.09129	1.7
133.10133	33.0
135.11725	10.1
136.09340	1.0
137.13232	1.7
143.08548	1.8
145.10133	11.7
147.11684	22.8
149.01173	1.2
149.09621	1.6
149.13272	7.2
157.10112	2.3
159.11700	8.2
161.13271	19.7
163.14867	2.7
171.11705	2.6
173.13243	5.5
175.14871	12.8
181.12332	1.1
185.13208	2.1
187.14867	4.5
189.16393	6.7
191.14328	1.5
196.11139	1.3
197.13359	1.2
199.14777	1.3
201.16417	1.8
203.17975	4.4
217.19513	2.2
223.16939	1.8
225.16293	1.4
235.16991	1.6
237.18501	3.5
247.17032	1.7
249.18639	1.6
251.20123	2.0
257.19043	1.6
261.18506	2.4
261.22226	1.8
263.20038	2.3
271.20496	2.3
275.20062	4.5
277.21506	1.4
285.22098	2.5
289.21722	5.6
299.23727	2.4
303.23300	1.9
307.42999	1.1
327.26764	5.5
345.27908	100.0
346.28226	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	345.3
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
51.19051	3.6
55.05508	17.3
57.03432	9.9
57.07082	100.0
67.05512	38.9
69.07058	17.5
71.08636	73.4
71.49212	4.8
79.05494	9.8
81.07064	44.5
83.08627	31.9
85.10181	43.0
91.05496	5.7
93.07036	9.5
95.08607	81.0
97.10154	21.6
101.10857	4.4
103.07546	4.5
105.07010	7.4
106.62269	3.8
107.08602	8.6
109.10161	31.0
111.11721	8.3
116.93412	4.4
119.08574	9.2
123.11698	15.5
137.13229	6.2
139.07881	4.0
145.10144	5.5
147.11607	5.5
149.13309	4.7
159.11702	5.2
161.13348	4.5
184.74434	4.1
192.16890	4.2
219.08087	4.1
253.25258	19.3
271.26434	7.1
327.01822	4.7
327.28983	76.8
345.22009	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	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47575	2.5
55.05515	16.0
57.03425	5.0
57.07081	100.0
67.05511	31.2
69.07069	15.1
69.30156	14.4
69.30566	6.6
71.08246	4.1
71.08640	73.7
79.05492	6.4
81.07063	41.2
83.08224	2.7
83.08633	27.4
85.06573	2.7
85.10193	40.6
89.06033	2.7
91.05471	4.8
91.13482	2.6
93.07040	10.3
95.08617	59.0
97.10168	24.6
98.20786	4.1
99.11752	4.2
103.07580	2.8
105.07041	7.0
107.04962	5.0
107.08593	10.1
109.10154	33.5
111.11758	5.2
119.08578	5.1
121.10139	7.7
123.11682	12.5
133.10114	3.1
135.11703	3.5
137.13264	8.5
138.11588	2.7
142.17384	2.4
151.14738	2.9
161.13208	3.0
217.19475	4.7
225.97318	2.6
253.25186	12.5
271.26367	4.4
294.42517	2.9
327.28989	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.0
57.07055	8.9
64.59084	3.3
67.05515	25.5
69.07071	33.4
70.03509	15.1
71.04984	4.3
71.08620	5.1
79.05501	24.6
81.07063	100.0
83.04999	3.6
83.08611	10.4
84.08156	32.2
85.02885	4.8
85.06533	12.3
91.05479	11.7
93.07049	31.8
95.08612	62.6
97.06541	7.4
97.10166	6.9
99.08092	7.6
105.06387	3.3
105.07034	9.3
106.06579	3.2
107.04958	13.4
107.08616	28.9
109.06526	4.1
109.10164	45.9
111.08060	5.5
111.11749	8.6
117.07069	3.7
119.08587	9.6
121.10152	22.4
123.11710	48.4
127.11399	3.5
128.06200	3.8
133.10097	4.0
135.11658	20.2
137.05995	29.5
137.13248	28.6
147.11688	7.0
149.13280	21.5
151.03821	3.5
153.12741	12.0
161.05963	3.6
163.14830	5.9
175.07515	4.6
177.16394	5.6
191.07045	7.3
191.17915	3.6
202.37460	3.6
215.08241	7.2
273.25903	4.3
273.79837	3.1
291.26794	11.9
309.27979	6.0
313.10779	5.5
327.26083	4.5
345.13452	7.5
345.27435	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	346.1972
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
52.64449	0.4
55.43227	0.5
56.05040	2.7
66.97681	0.4
68.89563	0.4
69.07072	7.7
69.67715	0.5
69.82914	1.2
69.83322	1.7
70.06590	2.6
72.08163	1.2
74.06086	10.7
82.06585	0.6
84.04536	0.5
84.08159	0.8
86.09709	100.0
87.10045	0.9
97.24339	0.4
98.06084	0.9
107.04985	0.8
116.07079	2.4
117.34696	0.5
120.08078	0.6
126.05534	3.8
142.08643	4.8
144.06593	1.6
166.04962	1.1
170.41325	0.5
184.06120	1.0
195.11362	0.7
199.18069	1.8
202.10745	0.7
203.13914	9.8
211.14339	0.9
239.06441	0.6
239.13925	6.4
241.98610	0.5
284.16040	0.6
346.18741	1.0
346.22519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91418	1.5
55.05508	11.0
56.05032	6.0
56.95373	1.9
60.04509	2.5
67.05481	1.8
69.03430	2.7
69.07073	4.7
70.02966	2.3
70.06596	9.2
70.94371	4.4
72.08161	99.2
74.06087	16.6
75.13409	1.5
81.03397	2.1
82.06586	5.4
84.04523	2.9
84.08147	4.5
85.02894	5.1
86.09712	88.6
87.05598	2.0
88.04006	19.0
91.05476	2.2
93.07092	2.1
95.04940	2.1
96.04455	1.8
96.08136	4.7
97.02866	2.3
98.02412	4.8
99.09218	4.0
100.03989	3.9
107.04956	9.1
107.08562	2.1
110.07188	5.2
113.10744	2.6
116.07108	5.0
117.87207	1.8
118.08670	4.1
120.08118	6.1
124.07594	5.8
126.05520	5.9
127.08678	18.0
128.07086	3.7
129.10245	3.5
131.08583	3.5
132.10208	20.0
136.07704	1.7
137.05984	6.0
138.09138	5.5
141.10237	10.3
142.08646	28.2
153.06604	4.2
156.10239	7.3
157.13351	3.7
163.11250	2.1
164.11543	3.9
165.11664	2.1
166.12276	2.4
169.09750	8.2
170.08171	1.9
183.11345	5.1
184.09697	4.3
184.13321	2.6
187.10794	100.0
197.09285	5.8
201.12366	63.3
203.13799	11.0
215.10338	23.3
229.11795	14.0
231.17094	3.5
259.67487	1.6
346.22250	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	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53426	0.5
56.05039	2.6
56.78050	0.5
63.83451	0.5
69.07073	7.0
69.72474	2.9
70.06602	3.3
72.08158	1.0
74.06081	10.6
84.08153	1.2
85.00796	0.5
86.09711	100.0
87.10049	1.5
98.06089	0.7
100.07614	0.6
107.04958	1.2
116.07111	2.7
120.08080	0.7
126.05520	3.8
142.08653	4.0
144.06554	0.6
147.04419	1.3
148.03957	1.4
149.04903	0.7
165.05479	0.6
166.05032	1.4
169.13309	0.5
184.06071	1.3
195.11360	1.5
199.18140	0.9
203.13948	10.1
211.14371	1.1
239.13930	7.5
252.94392	0.5
257.14935	1.0
284.16058	0.8
346.18689	0.7
347.13086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
55.05508	0.8
56.05035	8.0
57.22177	0.7
58.06608	3.4
69.03442	1.0
69.07067	7.3
69.37765	4.0
69.38181	1.5
70.06594	5.4
70.19039	0.6
72.08165	3.6
73.04041	1.9
74.05670	1.5
74.06078	22.6
75.09592	0.6
81.07050	1.3
83.08599	0.9
84.04511	5.2
84.08130	2.7
86.06039	0.8
86.09707	62.1
87.10050	1.0
91.05485	1.2
94.81551	0.6
96.08099	0.9
97.02895	0.7
98.09684	2.2
98.97576	1.8
101.07143	21.7
102.05536	0.7
107.04943	4.7
107.08572	1.2
108.08100	0.8
110.02705	1.5
110.06005	0.7
110.07120	1.5
110.09656	1.2
114.09189	0.8
116.07072	0.9
119.08106	0.9
119.98878	0.6
120.08123	2.9
124.07690	1.0
124.11233	2.7
126.09145	1.6
126.12814	1.6
130.06532	0.8
131.08521	1.0
132.10223	2.7
137.05968	4.3
138.06314	3.1
138.09154	0.8
140.82854	0.7
142.08673	1.4
142.12273	13.0
143.11754	4.1
146.11780	1.0
152.10605	0.9
159.09204	1.6
169.13300	1.1
184.13335	1.1
185.07111	1.8
187.14423	100.0
188.14830	1.1
197.12761	1.0
201.93799	0.6
215.13927	23.7
226.08852	0.7
233.15021	2.6
241.09834	0.8
245.18634	1.9
266.12250	0.7
287.05304	1.2
328.12741	0.7
346.08670	0.7
347.12515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	35.8
67.05506	95.4
71.09097	21.8
79.05473	38.8
81.07052	63.8
83.08623	19.4
91.05466	26.8
93.07034	30.2
95.04960	13.2
95.08601	29.4
97.10166	20.6
102.99144	11.6
105.07031	35.6
107.04930	32.0
107.08592	26.2
109.10148	95.1
111.08051	10.1
119.08582	20.3
133.10143	13.8
149.09619	10.6
155.10672	54.8
159.11635	12.6
173.11743	100.0
189.11258	23.3
195.13818	19.2
275.20145	52.8
361.04532	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	347.0741
Annotation	Cassipourine
Peak:m/z	Relative Intensity
52.36225	23.0
52.55824	21.3
56.96569	33.2
61.02923	37.1
71.18173	32.2
71.18488	28.9
72.08177	30.1
75.30753	19.7
78.03957	21.5
84.08140	80.4
85.02894	60.4
86.09711	37.9
98.97581	35.7
116.07089	27.3
129.10275	48.9
130.08632	29.9
132.10249	32.4
150.74940	22.6
185.05663	27.3
265.19162	25.3
266.06488	24.1
290.41312	23.6
347.07578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1275
Annotation	Daldinol
Peak:m/z	Relative Intensity
53.03933	1.6
54.93012	0.3
55.01870	0.5
58.94572	0.3
66.38146	0.3
68.45953	0.3
70.06588	0.4
71.48386	0.5
77.03955	0.4
79.05514	2.1
85.06508	0.3
87.73091	0.3
90.78161	0.4
95.04963	1.3
95.08583	0.4
97.02893	0.4
98.75383	0.3
99.65426	0.3
105.04492	0.7
105.06977	0.4
107.04956	100.0
108.05275	0.8
122.03641	0.4
129.10081	0.4
135.07845	0.4
137.05995	3.8
149.05984	0.5
153.07010	0.5
165.07022	1.4
176.94424	0.4
181.06577	2.3
182.07262	0.6
193.06477	1.2
194.07191	1.0
195.08167	0.4
200.58653	0.4
209.06007	4.2
210.06772	4.6
213.65683	0.4
221.05981	9.3
221.08020	0.7
225.09076	1.7
226.06255	1.6
237.05611	0.4
238.06245	5.1
239.06973	1.3
241.08543	10.9
244.08983	0.4
253.08586	7.9
255.08115	0.5
259.10953	0.5
268.08704	0.5
269.09708	2.1
279.06522	0.6
287.10605	2.2
297.09079	3.2
311.09158	1.2
315.10126	5.2
332.10294	0.6
347.12781	23.5
348.13077	1.2
358.44724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1278
Annotation	Daldinol
Peak:m/z	Relative Intensity
53.03955	2.1
54.12069	0.4
55.05506	1.7
57.03440	0.8
67.05505	1.7
69.07082	0.6
69.41757	3.4
77.03925	0.7
79.05496	5.0
81.07053	2.5
90.86622	0.4
91.05493	3.0
93.07050	1.3
95.04971	2.4
95.08601	1.5
98.21552	0.8
105.03412	0.5
105.04503	1.2
105.07037	3.2
107.04960	100.0
107.08588	0.9
108.05284	1.6
109.06487	0.6
115.55641	0.4
117.07016	1.2
119.08607	1.0
121.10111	0.5
129.07025	0.6
131.08577	1.6
133.06464	0.7
133.10146	0.5
143.08588	1.0
145.10152	1.2
147.08060	0.6
147.11703	0.6
157.10110	0.6
161.09596	0.6
165.06955	0.9
171.11632	0.7
179.08482	0.6
181.06480	1.7
182.07294	2.4
183.11670	0.5
197.05948	1.2
210.06775	25.7
210.61685	0.4
211.07266	0.6
221.06018	0.6
225.05495	1.5
225.09106	22.8
238.06219	1.2
240.07796	2.1
241.08537	2.1
253.08614	26.2
254.08791	0.5
269.09573	0.6
273.18503	1.7
286.09851	0.6
287.10663	0.8
297.08981	0.6
304.10950	0.7
314.09436	0.6
315.09995	1.9
316.11017	1.0
331.09589	0.6
332.10153	0.7
347.12793	67.4
347.21964	1.8
348.13113	1.8
357.24808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1277
Annotation	Daldinol
Peak:m/z	Relative Intensity
53.03951	1.5
55.05511	1.2
57.03429	1.2
57.84320	0.8
59.61484	0.7
65.03963	0.6
67.05499	2.8
69.07069	1.4
69.15028	6.8
75.58038	0.6
79.05491	3.9
81.07049	2.4
83.08631	0.7
91.05481	3.8
93.07035	1.9
95.04966	1.7
95.08603	2.3
105.07053	2.2
107.04958	100.0
107.08629	1.3
108.05309	1.2
109.02885	0.6
109.10182	1.3
116.70527	0.7
118.39906	0.6
119.08603	1.1
121.10115	0.8
129.07021	0.9
131.04953	1.1
131.08601	1.3
133.06538	0.7
133.10138	1.2
135.08057	0.8
135.11667	0.7
141.06949	0.9
143.08545	1.0
145.06503	0.9
145.10158	1.4
152.06276	1.1
153.06927	0.8
155.08603	1.3
157.10156	1.5
159.11711	1.2
161.09602	0.7
164.07132	0.9
165.06958	3.5
167.08563	2.4
170.07234	0.8
179.08591	1.2
181.06558	3.2
182.07286	2.4
183.08051	0.9
185.09679	0.8
193.06485	0.8
194.07275	1.8
195.08078	3.6
197.06004	1.3
198.06752	0.6
207.08192	0.8
207.13968	0.7
209.05991	1.9
210.06808	3.3
211.07544	2.0
212.08380	0.8
213.09103	2.7
223.07562	1.4
225.09036	6.8
226.09877	1.6
227.07227	0.9
238.06209	1.5
239.06903	1.6
240.07776	1.0
241.08447	8.3
242.09367	0.8
244.08789	1.3
253.08601	20.4
254.09305	2.1
255.17564	0.7
257.09647	1.3
259.11215	2.6
261.09119	1.1
268.08951	1.1
269.09628	4.7
270.10361	1.1
272.08350	1.4
273.09131	1.4
273.18454	0.9
275.10779	2.2
276.11453	2.2
285.09210	2.4
286.09949	1.5
287.10736	6.5
288.11484	7.1
289.08609	1.5
297.09067	0.7
301.12192	1.5
303.10129	2.0
304.10962	14.9
305.11780	0.9
313.08240	0.6
314.09512	0.7
315.10156	1.8
319.13300	40.0
320.13794	1.0
332.10382	3.8
337.05316	0.7
347.12781	29.0
347.22305	1.5
348.13495	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	347.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05510	4.9
56.05039	9.3
56.90496	0.9
56.96302	1.4
56.96568	20.9
57.03439	5.8
57.05809	1.0
58.06583	3.4
59.04997	1.3
59.68619	1.0
60.04530	25.5
60.05646	1.2
60.95863	0.8
61.02922	5.0
67.05499	1.3
69.03435	14.1
69.04562	1.3
69.07069	5.4
70.02940	2.0
70.06599	17.0
71.04984	3.7
71.06923	0.9
71.95872	0.9
72.08160	77.9
73.02930	5.5
73.08472	4.5
74.06079	15.6
81.03417	6.6
81.07055	1.0
82.02933	0.9
82.06561	1.9
82.99860	4.0
83.01338	1.2
83.06109	18.9
84.04510	58.5
84.08148	69.1
84.96048	6.2
85.02909	29.2
85.06536	1.3
86.03239	1.6
86.06049	2.1
86.09711	85.0
87.04472	2.6
87.05595	10.7
87.10021	1.8
88.03990	2.3
88.07641	1.1
91.03938	2.4
91.05481	2.2
95.04949	0.9
96.04519	1.0
97.02895	15.8
98.03172	1.0
98.06046	1.9
98.09658	1.2
98.97592	46.8
98.98338	1.9
98.98495	2.3
99.04456	2.2
100.07594	1.2
101.00890	19.4
101.07151	14.1
101.10773	2.2
102.05546	3.9
105.06612	1.7
106.05039	17.7
107.04964	25.3
108.05276	2.2
109.02874	3.4
110.06058	1.0
110.07185	1.7
110.09686	1.2
110.97569	11.9
112.03932	1.1
112.07619	2.2
112.08711	1.5
112.99140	3.2
113.00864	3.1
113.07122	2.6
115.00712	1.1
115.02496	1.1
115.03954	1.5
115.08726	1.1
116.07103	3.4
116.98624	16.3
118.08633	3.5
119.01927	25.9
119.03574	1.4
119.04919	1.7
120.06570	3.8
120.08094	1.2
123.04461	5.8
124.99107	1.8
125.07103	1.8
126.05569	1.2
127.02419	2.4
127.03926	7.2
127.08665	1.0
128.10733	7.6
128.98613	9.6
129.06601	6.6
129.10249	53.0
130.05009	57.0
130.08664	4.9
130.93291	1.1
131.00171	3.0
131.01903	5.8
131.08151	4.2
132.10242	2.8
133.03423	1.3
133.06100	3.7
134.99631	3.3
136.06197	77.2
137.05936	4.7
139.02356	0.9
140.07082	2.4
140.98622	2.8
141.06570	4.5
141.10211	1.8
143.00319	4.5
143.01909	100.0
143.11818	2.6
144.02014	2.3
145.03447	3.7
145.04967	3.4
146.99649	4.3
147.03291	1.1
147.04413	4.1
147.07657	69.2
147.11272	5.7
148.06055	1.1
150.05522	1.1
151.03932	1.3
152.10699	1.7
152.98563	3.8
155.00192	1.3
155.01859	7.5
155.04547	1.6
157.03458	3.4
157.09723	5.1
158.99684	11.6
159.03250	1.1
159.05075	1.0
159.07651	4.2
161.01324	3.2
161.02965	90.0
162.03172	1.8
162.99207	1.1
164.99503	1.8
166.08659	1.4
167.02904	1.1
167.05452	0.9
167.08141	1.2
168.03604	1.6
168.06587	1.2
169.03429	1.3
169.04936	1.6
170.99690	6.1
171.07645	1.6
171.11304	2.3
171.14923	1.6
172.15300	2.8
172.94362	1.4
173.01250	3.3
173.02948	9.1
173.06593	2.1
173.09221	3.0
173.12872	43.4
175.02808	1.1
175.04506	2.8
175.12019	1.5
176.03352	3.0
176.05067	1.3
177.00739	8.5
177.04175	4.2
179.02245	1.9
179.03845	1.4
182.99672	1.4
183.11302	1.4
183.14908	1.2
184.04561	2.5
185.01285	1.2
185.02704	1.4
185.04095	1.7
185.06773	4.2
185.09140	12.9
186.04588	3.6
187.14436	8.8
189.00652	3.1
189.12395	4.6
191.02238	2.4
191.03853	1.8
191.10286	2.7
196.14497	10.1
197.02937	1.5
197.06622	1.8
197.12852	10.1
197.16473	1.8
199.02814	1.2
199.04485	1.5
201.00638	4.3
201.12384	11.7
203.04027	41.2
205.00322	1.6
209.03223	1.9
209.06577	1.3
213.08688	1.5
214.15564	5.1
214.95366	1.2
215.13951	5.2
216.09819	3.7
216.13426	2.5
217.08202	1.8
219.01782	15.5
219.05122	1.3
219.13432	3.9
221.05078	8.6
224.13904	4.4
225.12387	3.0
227.07600	3.1
228.05638	2.0
228.13400	2.8
230.11346	2.6
231.05292	1.3
232.96391	1.6
234.14491	2.1
235.09377	1.3
237.02803	15.9
240.05739	2.5
240.13426	2.7
242.15067	1.3
242.18593	1.9
244.05823	1.4
245.05043	6.6
248.05472	2.6
253.53696	1.9
254.04039	1.6
255.03667	1.7
257.05667	2.0
258.07306	1.5
258.14508	3.5
260.16049	1.5
261.02902	2.4
261.06467	5.2
266.06506	2.7
267.07327	1.4
275.09741	3.3
279.04321	1.1
279.07526	28.0
280.07111	1.5
287.05627	3.1
287.09744	14.5
288.05899	2.3
289.06015	2.4
293.10788	4.4
297.08517	3.1
305.10733	3.1
309.08673	1.7
311.17166	1.6
312.15494	2.3
317.05591	1.3
321.08517	4.3
329.07654	1.1
329.18176	11.6
330.16617	1.6
335.06491	2.2
335.10382	1.3
338.09387	1.7
347.07971	2.7
347.12576	10.3
347.23254	15.0
348.07162	6.1
362.02444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37333	1.5
55.05508	6.5
57.07077	39.9
67.05502	9.9
69.07078	13.1
71.04997	6.0
71.08636	30.1
79.05487	9.3
81.07053	29.6
83.08626	5.0
85.10191	20.0
89.06036	100.0
91.05493	4.9
92.39413	1.6
93.07053	16.5
95.08612	40.4
97.06568	2.3
97.10178	5.8
99.04463	15.4
99.11796	1.6
105.07052	9.4
107.07053	5.1
107.08593	16.1
109.10166	19.5
115.20506	1.5
119.08607	6.5
121.10146	11.5
123.08047	1.9
123.11726	11.3
131.08571	3.3
133.08623	16.5
133.10129	8.0
135.11685	8.9
137.13277	7.7
141.09126	10.5
145.10132	5.3
147.11729	4.5
149.13275	6.4
151.09683	23.3
151.11143	4.2
151.14893	1.9
157.10229	1.8
159.11691	3.5
161.13312	4.8
163.14841	5.3
165.12791	1.7
173.03300	1.5
173.13240	2.0
175.14816	3.7
177.16396	4.5
189.16420	1.9
201.16536	1.9
203.18021	4.0
217.19441	2.5
219.21124	3.2
256.07349	2.7
271.24243	3.9
311.27179	3.1
329.28354	6.5
347.12946	3.5
347.29489	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	348.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62846	0.8
51.21290	0.8
51.26490	0.7
52.55508	0.6
54.55468	0.8
56.04789	1.2
56.05042	14.6
60.04516	3.6
60.77740	0.9
61.00851	1.2
61.01152	14.4
68.05034	1.7
70.00953	3.3
70.06597	46.7
72.08157	1.1
74.06091	6.9
84.04509	5.3
84.08138	2.9
85.02902	1.6
86.06058	1.4
86.09708	10.7
87.10033	2.1
97.02850	0.9
98.06061	1.3
98.97603	2.3
104.05330	13.5
105.06608	1.6
107.04962	1.2
110.07127	1.2
112.07613	33.4
114.05527	2.7
116.07100	100.0
123.04473	1.1
126.05535	2.7
129.06595	1.2
129.10207	1.1
132.04765	0.9
132.10197	2.8
136.06203	4.6
136.07338	0.8
142.08623	2.0
160.07927	48.5
186.11249	2.3
188.07523	1.6
189.08664	2.6
201.12401	2.1
205.10078	23.0
217.08179	2.1
217.11823	4.7
227.10271	3.9
233.09599	18.7
234.09622	0.9
330.14890	3.6
330.18524	1.2
348.16776	1.2
358.67520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99423	5.5
55.05503	14.0
57.03432	16.1
66.57316	6.1
67.05521	31.3
69.07064	8.0
70.22179	15.0
70.22543	13.3
72.66139	6.2
77.25436	5.7
79.05485	19.7
81.07070	20.4
85.06551	19.3
91.05473	22.1
93.07040	23.1
95.08585	16.1
105.07037	19.3
107.04958	18.6
107.08565	14.4
109.06446	7.0
119.08586	16.3
121.10149	10.7
131.08591	9.5
133.10162	11.6
145.10094	12.0
145.12207	6.6
147.04466	8.2
147.11714	8.4
159.04398	9.5
174.27190	7.3
175.03928	100.0
177.05423	10.8
187.03880	31.9
189.05502	13.8
219.17455	41.9
226.06261	8.5
229.08614	23.6
231.10025	7.9
241.08604	27.6
243.10172	29.4
247.09657	46.9
275.20172	9.5
295.13333	10.3
313.14383	25.8
331.15668	8.2
349.23801	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12429	10.9
54.53845	10.1
55.01886	22.3
55.05504	49.8
57.03439	20.8
57.07068	12.5
65.09332	10.4
67.05244	10.2
67.05512	100.0
67.17313	14.5
69.07057	47.3
69.50573	84.7
70.25325	11.1
71.08608	16.2
72.68314	12.5
78.40215	10.2
79.05490	65.3
79.95363	12.7
81.07066	72.2
83.08608	34.9
91.05473	54.7
93.07046	57.6
95.08599	32.0
97.06557	23.6
97.10186	21.6
105.07027	54.5
107.04935	41.0
107.08584	49.2
109.10175	68.1
119.08548	29.8
121.10091	18.3
121.26085	14.0
125.09635	22.4
131.08545	28.5
133.10133	29.3
145.10147	41.8
147.11716	20.8
149.09631	13.4
151.11255	14.4
155.10660	45.3
159.11681	28.6
161.13443	13.7
173.11746	99.7
173.13116	19.3
195.13788	25.2
242.90085	12.1
257.19019	30.0
275.20065	34.8
277.21652	29.9
295.22342	14.0
348.13345	50.7
349.19781	21.1
349.23813	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43736	3.0
56.69160	2.9
56.96560	8.1
57.03444	3.1
61.02912	3.6
64.37443	3.2
69.03419	8.3
69.41042	10.3
69.41463	12.7
70.06601	5.2
81.03423	4.8
82.99848	15.8
84.08146	6.3
85.02903	14.6
97.02891	5.6
98.21516	3.9
98.97583	21.2
101.00896	79.7
107.04946	15.6
110.97563	9.1
113.00882	54.8
115.02438	10.3
116.98653	4.5
119.01926	52.9
123.04418	13.4
126.98826	4.6
127.02464	4.8
127.03912	3.6
128.98604	5.8
131.01912	55.4
133.03464	11.7
143.00139	5.8
143.01895	32.6
144.99847	5.3
145.03439	10.8
149.02936	5.1
155.01866	22.2
157.03453	5.1
158.99623	5.5
161.01447	3.0
161.02948	15.4
168.99844	51.7
169.08118	3.5
173.02966	29.4
177.04152	6.6
180.99818	19.5
185.02948	8.8
186.04726	7.8
186.54872	5.6
187.00893	37.1
191.04086	7.0
196.99316	35.1
199.00914	16.6
201.02388	8.6
203.04028	5.9
213.02477	5.6
215.00377	94.8
219.01805	7.7
219.03644	6.7
221.05110	12.8
229.01950	50.2
231.03488	11.1
233.21544	3.6
237.02852	4.4
239.00366	4.2
239.06287	5.9
241.01982	10.4
245.05130	4.0
247.02995	100.0
259.02740	22.5
267.57397	3.9
271.03055	4.2
277.04034	6.6
289.04022	19.7
317.03592	7.0
340.05670	3.3
349.08997	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01876	0.3
67.05509	0.5
70.57986	0.4
77.03938	0.4
79.05501	1.8
81.07049	0.8
91.05508	0.4
93.07048	0.6
95.04976	1.0
95.08602	0.3
105.04520	0.6
105.07013	0.4
107.04961	100.0
107.08603	0.6
108.05277	0.9
121.10159	0.3
131.08617	0.3
133.10118	0.2
135.11705	0.2
141.06947	0.3
145.10109	0.5
153.06956	0.2
155.08498	0.2
159.11714	0.3
161.06015	0.3
165.06978	1.2
167.08592	0.4
168.22302	0.2
169.16000	0.2
182.07271	0.6
183.08081	1.0
195.08066	0.5
197.09657	1.3
210.06783	0.4
211.07571	1.8
212.08279	1.6
225.09085	1.7
227.10808	0.3
228.07869	1.0
241.08588	0.5
243.10179	19.9
244.10634	0.3
244.89464	0.2
255.10208	3.5
264.38071	0.2
275.20111	0.3
303.15927	0.3
313.14499	0.2
319.73132	0.3
327.81329	0.2
345.54074	0.3
349.10889	0.3
349.14337	6.2
350.14346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1435
Annotation	2,7-Dihydroxy-3-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.13896	0.2
51.02374	0.2
53.03947	0.9
55.01873	0.2
55.41982	0.2
55.64943	0.2
68.99439	0.2
72.84424	0.1
77.03950	0.3
79.05500	1.6
82.79078	0.2
95.04987	1.0
105.04506	0.5
105.07023	0.2
107.04961	100.0
108.05293	0.8
137.05896	0.1
141.07042	0.2
153.07050	0.3
165.07019	0.7
167.08562	0.6
181.06494	0.4
182.07285	0.4
183.08080	1.3
193.06396	0.2
195.08054	0.6
196.08755	0.3
197.09645	1.2
197.11278	0.2
210.06737	0.6
211.07574	2.3
212.08357	1.6
215.10725	0.4
223.07570	0.2
225.09105	1.8
227.10730	0.4
228.07820	1.4
237.08951	0.2
240.07570	0.3
241.08633	0.5
242.09314	0.3
243.10184	22.0
244.10571	0.4
255.10170	6.0
288.13052	0.2
347.33420	0.2
349.14343	8.3
350.14392	0.2
369.37140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1435
Annotation	2,7-Dihydroxy-3-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.88730	0.3
53.03934	1.1
55.01862	0.4
55.05513	0.5
55.62534	0.2
66.84508	0.2
69.40264	1.9
74.38344	0.2
75.63251	0.2
77.03940	0.4
79.05499	1.5
81.03455	0.4
81.07073	0.3
84.08112	0.3
84.98212	0.2
91.05449	0.4
93.07021	0.4
95.04967	1.3
95.08624	0.3
100.07678	0.3
100.11276	0.6
107.04964	100.0
108.05280	0.9
121.06563	0.3
127.03905	0.3
143.08638	0.2
157.10208	0.3
165.07057	1.2
167.08582	0.5
173.13191	0.5
179.08632	0.3
182.07292	0.5
182.15489	0.3
183.08075	1.0
195.08072	0.7
197.09637	1.1
210.06790	0.8
211.07558	2.0
212.08401	1.3
223.07660	0.4
225.09120	2.0
227.10843	0.3
228.07831	1.0
228.10030	0.4
241.08536	1.2
242.09344	0.3
243.10193	18.2
244.10611	0.3
255.10146	4.1
266.05624	0.3
342.61011	0.3
349.14264	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	349.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.2
55.05495	13.9
55.37470	5.0
56.05033	6.7
57.03426	19.2
58.30800	4.8
59.04995	4.8
60.04517	4.9
61.02916	11.4
67.05508	22.7
69.03430	23.7
69.07073	29.4
70.06593	68.3
71.04979	16.4
71.06904	10.5
71.21809	9.2
72.08158	23.8
73.08481	5.1
81.03410	7.8
81.07059	31.4
82.06562	4.8
83.08611	6.8
84.04513	14.9
84.08144	84.0
85.02915	53.4
86.09714	25.8
91.05475	8.7
93.07043	30.3
95.04974	36.4
95.08577	7.0
97.02876	18.6
97.06515	7.1
99.02709	4.8
99.04424	14.7
99.08081	10.4
101.06003	6.2
106.21294	5.0
106.39532	5.3
107.04959	25.0
107.08596	5.6
109.02867	11.4
109.06549	11.7
109.10160	48.1
110.07159	9.5
111.08135	5.7
115.27748	4.7
116.07137	9.8
120.08096	12.3
123.11684	11.6
127.03942	10.6
127.07541	16.5
127.11160	17.1
129.10213	16.1
130.05025	4.9
130.06517	6.3
131.04993	5.5
133.10100	18.3
134.48666	4.2
136.07578	9.6
137.05904	5.2
139.11195	9.8
140.05264	5.9
145.04924	7.3
147.04443	6.1
151.11166	46.3
152.05321	7.2
158.97351	7.7
169.12222	35.1
170.06355	100.0
187.13300	52.5
188.07416	39.4
200.14894	4.9
216.12326	34.6
234.99013	17.0
247.04520	5.6
303.04678	5.0
331.12839	10.5
349.08859	45.8
349.13641	26.5
349.18875	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	349.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01865	7.0
55.05504	16.7
56.05046	6.1
57.03444	22.5
60.04511	11.3
61.02909	10.8
64.07850	4.2
67.05499	16.2
69.03421	19.3
69.07070	30.2
69.60211	30.8
70.06596	70.0
71.04993	18.6
71.06917	7.2
72.08155	26.4
73.02944	6.1
79.05509	6.5
81.03408	12.2
81.07052	31.0
83.08606	9.6
84.04497	12.9
84.08162	48.9
85.02915	67.6
85.06524	9.7
86.09707	17.1
87.02717	9.2
87.04454	4.3
91.05489	8.5
93.07036	55.6
95.04990	24.1
95.08637	6.4
97.02906	25.2
97.06507	13.1
98.20895	6.5
99.04460	19.8
99.08092	11.3
101.06037	6.0
102.05566	5.2
103.70079	4.1
105.07034	7.8
107.04944	26.7
107.07384	5.4
107.08592	15.5
109.02888	9.4
109.06533	9.1
109.10153	42.4
110.07196	9.0
111.08097	7.4
116.07122	5.1
120.08100	17.9
123.11700	10.4
127.03930	13.4
127.07548	19.0
127.11214	22.7
129.10252	14.1
130.05006	5.5
133.10126	14.8
137.05945	7.7
139.04541	6.7
139.11150	5.2
140.05270	9.6
142.74612	4.9
145.04968	8.3
147.04350	10.3
151.11200	40.5
152.05289	5.7
169.12238	35.3
170.06357	100.0
187.13298	70.6
188.07397	41.0
188.12849	7.2
203.07524	5.0
216.12358	27.3
234.99031	16.6
247.07661	6.2
289.08716	8.8
314.23102	6.3
331.13040	6.9
349.08893	36.0
349.13593	54.8
349.18304	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	349.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49223	3.2
55.01861	4.9
55.05513	30.7
56.05021	5.6
57.03418	14.3
58.99552	3.2
60.06028	3.4
67.05499	4.5
69.03411	9.5
69.07056	14.9
70.06597	24.2
71.04974	6.5
71.48734	4.3
72.08147	8.1
76.02221	6.3
78.14626	4.2
79.05480	14.8
81.03407	5.5
81.07063	88.6
81.22156	3.8
83.04590	4.7
83.04988	61.5
84.04504	36.8
84.07642	6.4
84.08141	100.0
85.02889	10.8
86.09689	14.7
86.99049	4.3
87.02694	23.5
87.10024	4.0
93.07050	6.6
95.04942	11.3
95.96238	3.8
97.02905	4.2
99.08090	65.8
105.00103	8.3
107.04955	9.6
107.08569	6.7
109.10139	21.7
111.08080	7.5
116.07085	5.4
120.39014	3.3
122.02729	25.5
123.11691	4.2
124.07539	4.2
127.03936	5.6
127.11153	12.3
129.10197	12.6
130.06497	4.7
132.01154	8.5
145.04988	4.4
151.11140	9.5
151.27060	3.3
153.12759	71.4
154.13159	3.8
159.04689	5.9
169.12198	21.1
171.13777	20.6
174.03040	3.9
187.13228	5.4
188.03833	4.7
202.09003	44.1
203.07324	12.0
220.09995	8.7
221.09250	8.8
272.07343	3.7
286.10883	5.7
331.12805	4.9
349.13721	13.2
349.18024	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18271	2.2
53.03942	7.1
55.01882	18.6
55.05517	26.7
57.03199	3.0
57.03440	41.0
57.07074	2.6
60.96273	2.2
61.49284	2.1
63.80512	2.4
65.03917	4.0
65.58929	2.1
67.05186	3.5
67.05508	54.4
69.03413	3.4
69.07075	40.1
71.04971	8.4
71.48361	2.2
79.05076	3.9
79.05500	61.2
81.03417	6.4
81.06596	3.7
81.07060	65.7
81.07530	4.4
83.04969	4.2
83.08633	13.3
85.02917	3.2
85.06534	6.9
91.05491	75.2
93.06494	4.4
93.07050	70.1
95.01274	2.3
95.04980	8.4
95.08618	44.9
97.06544	22.0
97.10137	3.3
99.08096	4.2
103.05444	4.9
105.07033	87.2
107.04959	44.7
107.08605	38.1
108.05277	8.4
109.06513	9.6
109.10168	14.5
111.08098	6.4
113.09657	2.4
115.05421	3.0
117.07019	38.0
119.08593	75.1
121.06505	7.7
121.10145	21.7
123.08059	7.3
123.11698	3.7
125.09603	4.1
129.07025	15.0
130.07796	5.1
131.08572	44.0
133.10147	51.8
135.08015	5.7
135.11710	11.7
137.09656	3.3
140.08337	2.2
141.06963	5.5
142.07764	2.6
143.08623	10.6
145.06471	5.2
145.10133	60.1
147.08113	3.6
147.11713	32.8
147.84021	2.5
149.09601	13.4
149.13245	6.9
151.11205	3.5
153.07018	2.2
155.08566	7.3
157.10129	19.4
159.08063	4.0
159.11714	50.4
161.05995	4.6
161.09621	5.4
161.13275	18.6
163.11240	11.9
165.09142	4.4
169.10165	8.6
171.11681	9.8
173.13271	22.0
175.11304	2.3
175.14874	6.0
177.12733	4.4
183.11731	12.6
185.13248	18.0
187.11197	3.9
187.14888	4.1
189.12752	2.6
197.13264	7.0
201.12741	2.5
201.16380	6.4
203.14377	8.2
205.12128	2.6
211.07510	2.9
211.14862	4.2
212.07835	3.5
213.16362	2.4
215.18076	4.7
219.17397	13.0
229.19453	9.1
239.17938	24.4
243.10127	3.4
247.20338	2.5
254.09068	2.9
255.09857	6.9
257.19025	48.7
258.19061	2.6
275.20078	48.6
275.22745	1.7
331.22623	4.7
349.10327	3.4
349.13977	26.9
349.23743	100.0
350.24167	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01865	7.5
55.05510	18.4
57.03440	21.3
57.07075	2.0
65.03931	1.9
67.05511	39.9
69.07074	23.0
70.00272	7.1
71.04987	4.2
77.76849	1.9
79.05496	40.6
81.03438	2.6
81.06598	2.9
81.07061	46.3
83.04979	6.9
83.08622	7.8
85.06564	2.4
91.05488	43.6
93.07050	39.8
93.63955	1.5
95.04974	8.6
95.08616	28.6
97.06522	10.6
97.10164	2.9
105.07042	48.7
107.04974	14.4
107.08602	23.8
109.06528	13.2
109.10169	12.5
111.08073	3.3
117.07014	20.3
119.07722	2.0
119.08587	34.7
121.06519	14.1
121.10129	10.7
123.08057	6.8
123.11761	3.7
125.09666	1.8
128.06232	3.1
129.07024	8.3
131.08578	32.4
133.06497	3.6
133.10130	30.0
135.08093	8.0
135.11729	9.2
137.09637	3.1
138.46051	1.6
141.06950	2.1
143.08591	5.4
144.09312	1.8
145.06496	3.0
145.10132	28.7
147.08044	3.6
147.11693	22.5
149.09650	7.7
149.13254	2.7
151.11171	6.6
157.10098	10.1
159.08083	2.6
159.11705	25.5
161.09607	4.3
161.13243	5.6
163.11192	9.6
169.10149	3.9
171.11694	4.9
173.09560	1.6
173.13264	9.4
175.11185	4.3
175.14853	1.9
177.12680	3.6
179.14412	1.9
183.11743	5.3
185.13228	4.6
187.11182	3.6
187.14735	3.2
191.14397	4.1
197.13245	3.2
201.12793	3.0
207.13777	4.4
215.14343	1.8
215.17863	2.6
219.13760	4.3
219.17378	3.5
229.19513	6.3
239.17958	12.9
239.34001	1.7
241.53821	1.6
247.20599	3.7
257.19009	25.8
275.20081	100.0
276.20462	4.6
293.21066	7.1
304.08438	1.7
349.23743	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
53.99640	2.5
55.01857	4.6
55.05514	23.3
57.03205	2.5
57.03442	36.4
57.07066	5.3
63.93383	2.5
65.36073	2.6
67.05508	48.8
67.08302	2.5
67.37875	2.5
69.07077	24.5
70.73873	6.8
70.74200	2.7
71.04965	4.0
79.05076	4.0
79.05495	50.6
79.76942	2.8
81.03449	3.3
81.07063	56.2
83.04982	8.8
83.08607	10.1
85.06513	4.0
90.03671	2.7
91.04909	3.8
91.05482	74.8
93.06496	4.2
93.07050	65.4
95.04967	13.0
95.08608	39.8
97.06525	5.3
99.08073	3.9
104.51067	2.7
104.56851	2.8
105.07040	80.9
107.04945	9.4
107.08600	32.3
109.06500	18.5
109.10153	8.5
111.08079	3.7
117.07037	31.7
119.08578	54.6
121.06490	13.4
121.10163	19.0
123.08080	6.8
125.09628	3.4
129.06990	13.0
130.07780	4.6
131.08574	47.2
133.10127	38.4
135.08049	4.8
135.11716	9.5
141.07115	2.8
142.07765	3.8
143.08577	15.4
145.10129	44.1
147.08043	4.1
147.11693	32.4
149.09587	9.9
149.13205	4.0
151.11211	3.6
155.08572	5.7
157.10114	19.3
159.11702	46.1
161.09644	5.6
161.13266	14.0
163.11145	7.9
169.10124	3.4
171.11656	7.6
173.09784	3.3
173.13251	18.3
175.11182	8.0
175.14816	10.1
177.12767	4.6
183.11710	8.1
185.13298	20.7
187.11234	5.2
197.13301	5.3
201.12697	4.5
201.16380	5.6
203.14299	10.5
213.16374	3.3
215.14255	3.7
215.17970	3.8
219.17438	18.9
229.19456	5.9
231.86266	3.1
239.17979	17.9
257.19006	46.3
275.20084	100.0
277.18030	3.2
293.21158	3.5
331.22543	3.6
349.23721	80.1
350.23962	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	23.6
55.01880	16.7
55.05512	30.6
57.03439	23.7
57.07077	2.0
65.03947	4.7
66.52385	1.9
67.05507	74.3
69.03418	2.3
69.07069	60.3
70.23434	2.8
70.23784	6.8
71.04992	5.1
75.70237	2.2
75.96490	1.8
77.03931	2.4
77.57532	2.0
79.05016	2.8
79.05492	70.1
81.03426	30.1
81.07058	100.0
83.04986	13.4
83.08627	10.5
85.06519	2.3
91.04913	3.6
91.05484	72.2
93.06490	3.5
93.07048	60.2
93.86087	1.9
95.01324	21.9
95.04972	23.9
95.08606	51.5
97.06527	24.7
97.10188	6.1
103.05457	3.3
105.07034	94.4
106.07368	2.4
107.04960	43.5
107.08595	31.7
109.06526	16.3
109.10177	17.3
111.08083	4.0
113.09585	2.5
117.07012	26.4
119.08580	51.8
121.06529	7.6
121.10149	15.8
123.04430	7.7
123.08057	7.8
123.11662	2.7
125.04115	2.0
128.06233	2.2
129.06998	4.4
131.08560	33.2
133.06467	3.4
133.10136	61.1
135.08040	5.6
135.11667	16.3
137.09608	3.4
141.06978	3.4
143.08563	6.7
143.45207	2.0
144.09244	2.4
145.06479	7.3
145.10118	27.2
147.11665	26.5
149.09637	9.2
149.13240	10.5
151.11217	3.4
155.08540	3.0
157.10126	5.1
159.08081	2.3
159.11681	24.9
161.13210	9.9
163.11171	5.0
169.10118	4.5
171.11700	3.8
173.13272	6.9
177.12766	8.6
179.14305	26.3
183.11714	5.0
185.13344	2.2
187.11133	10.0
205.12248	3.2
215.13937	2.1
229.19557	3.9
239.17990	2.9
247.20668	4.3
257.19107	11.2
275.20071	60.3
314.89886	2.1
349.23694	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.4
54.01692	2.4
55.01864	9.1
55.05513	37.7
57.03442	22.6
57.07067	5.7
65.03932	4.8
67.05510	83.6
69.07072	22.0
70.12625	8.7
70.13005	5.8
71.04987	7.6
77.03957	3.8
79.05497	100.0
81.03429	5.7
81.06592	5.1
81.07059	81.8
83.04984	19.2
83.08611	11.7
85.06556	3.3
91.05489	74.6
93.07047	69.5
95.04937	14.6
95.08617	48.4
97.06518	7.1
97.10165	6.5
103.05521	3.2
105.04538	3.7
105.07034	72.5
106.50301	2.7
107.04964	18.2
107.08598	49.0
109.06516	9.7
109.10161	36.2
111.08126	3.2
117.07018	33.5
119.06072	3.2
119.08582	57.7
121.06455	4.2
121.10155	20.8
123.08102	6.7
123.11667	4.0
125.09634	7.5
128.68964	2.8
129.07018	7.0
131.08559	28.3
133.10143	48.5
135.08064	11.3
135.11729	14.1
137.09608	7.6
141.06947	3.3
143.08614	5.4
145.10107	22.9
147.11694	27.9
149.09619	37.0
149.13242	5.1
157.10159	4.5
159.11694	18.3
161.13264	6.2
163.11220	6.3
163.14856	5.9
169.10156	4.0
171.11650	5.5
173.11986	2.9
173.13214	14.9
177.12720	5.1
183.11739	6.4
187.11226	4.4
187.14966	3.6
189.11140	3.4
205.12273	3.6
211.14497	3.2
229.19543	6.1
247.20663	8.6
257.19055	12.1
275.20102	75.1
276.20309	3.9
349.23746	48.2
374.25430	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01865	7.3
55.05518	23.9
57.03443	16.9
67.05186	2.5
67.05511	30.5
69.07079	21.3
70.73402	5.2
73.35399	2.9
76.46568	2.4
79.05498	28.8
81.03427	3.5
81.07055	37.9
83.04973	9.0
83.08636	11.7
91.05481	30.8
93.07040	34.2
95.04953	9.9
95.08601	18.2
97.06522	7.3
97.10147	4.7
98.49238	2.7
105.07038	33.0
107.04938	14.3
107.08588	20.8
109.06502	11.0
109.10149	8.2
111.08084	3.5
117.06977	7.5
119.08583	20.0
121.06506	12.8
121.10124	13.2
123.08064	7.8
129.06995	4.5
131.08577	23.0
133.06474	3.3
133.10132	20.6
135.08080	5.1
135.11679	8.1
137.09659	4.0
143.08607	4.8
145.06479	3.8
145.10114	17.0
147.08110	4.4
147.11723	14.8
149.09654	6.7
149.13268	3.6
151.11221	5.0
159.08157	2.4
159.11661	11.4
161.09576	3.9
161.13235	4.3
163.11185	9.0
171.21184	2.9
173.09712	3.3
173.13228	6.8
175.11124	4.4
177.12601	2.7
179.14313	3.4
183.11734	3.3
187.11151	3.2
191.14238	2.8
201.12885	3.1
207.13881	4.0
215.14317	3.1
219.13774	3.7
235.28783	2.7
239.17824	6.2
247.20563	4.8
257.19034	16.7
275.20059	100.0
293.21088	7.6
349.23663	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	19.8
54.91614	3.2
55.01881	17.1
55.05522	27.1
57.03441	31.2
58.70846	3.5
65.03940	5.3
67.05185	6.6
67.05511	74.4
69.03440	5.0
69.06731	5.7
69.07076	72.6
69.98927	8.3
69.99338	10.4
71.04977	4.3
74.52970	3.4
79.05077	4.8
79.05502	66.4
80.25335	3.7
81.03419	30.3
81.07058	100.0
83.04977	16.1
83.08617	15.0
85.06541	5.1
91.05489	91.7
93.07048	68.7
95.01339	26.0
95.04969	20.1
95.08614	60.3
97.06526	28.0
97.10150	5.3
98.20820	3.7
105.07032	85.6
107.04958	41.0
107.08601	41.4
107.89232	3.9
109.06497	7.1
109.10175	14.3
111.08097	6.0
116.48087	3.2
117.07027	32.9
119.06073	3.5
119.08580	59.0
121.06541	9.5
121.10135	13.0
121.81478	3.9
123.08064	16.3
123.11758	5.0
129.06985	7.4
131.08559	39.3
133.06503	3.5
133.10139	61.2
135.08055	10.6
135.11691	13.3
137.09641	7.3
141.06996	6.3
143.08513	6.4
145.06454	6.8
145.10132	21.7
147.11707	20.7
149.09639	9.7
149.13234	9.5
151.11221	4.1
155.08611	4.7
159.07928	4.5
159.11691	24.6
161.13280	10.4
163.11183	9.5
167.48125	3.8
173.13269	7.0
177.12749	10.5
179.14337	29.1
181.74945	3.3
183.11804	4.4
187.11241	6.9
205.12251	4.9
219.17409	19.4
229.19640	4.0
235.87207	3.5
236.19298	3.6
239.17978	4.4
247.20399	6.9
257.19104	8.7
275.20041	66.0
301.20413	4.0
349.23724	41.8
349.27512	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96929	2.1
53.03959	12.4
55.01878	16.4
55.05516	62.0
57.03452	15.9
65.03933	5.0
67.05509	64.7
69.03428	4.2
69.07072	25.3
71.04990	6.0
79.05502	100.0
79.91357	2.6
81.03419	10.7
81.07062	57.7
83.04984	30.6
83.08607	11.8
85.06565	3.3
91.05492	62.2
91.77899	2.4
93.07052	73.8
95.01349	4.4
95.04987	13.6
95.08621	29.0
97.06535	9.4
97.10173	13.0
98.21499	7.0
103.05500	3.0
105.07040	50.6
105.13151	2.7
107.04956	39.2
107.08603	71.2
109.06506	4.4
109.10154	26.2
111.08078	6.2
117.07035	13.1
119.08591	35.5
121.06509	8.8
121.10156	26.6
123.08113	8.0
123.11729	4.2
125.09634	15.1
129.07050	3.6
131.08571	21.9
133.06546	3.0
133.10120	32.0
135.08052	12.0
135.11703	8.7
137.09598	2.6
141.06946	3.5
143.08597	4.0
145.10117	16.4
147.08080	2.5
147.11697	19.2
149.09628	56.9
149.13290	5.8
155.08553	3.1
157.10175	4.3
159.11723	11.0
161.13309	8.3
163.11263	5.6
169.10161	4.4
173.11858	3.4
173.13280	9.6
174.99065	3.3
175.11111	3.1
177.12778	3.7
179.14359	6.0
183.11717	3.1
189.00691	2.5
189.11198	7.4
191.14346	4.0
193.89082	2.7
203.47560	2.2
209.15350	6.1
223.13222	3.1
229.19556	6.2
239.18121	3.8
247.20645	3.1
257.19003	9.6
275.20062	48.5
349.13040	6.5
349.17551	5.5
349.23639	38.9
349.27292	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.01865	13.1
55.05274	3.0
55.05512	45.6
57.03436	26.3
59.04994	2.4
59.97553	1.8
65.03922	6.2
67.05504	49.3
68.87343	2.1
69.03399	2.2
69.07067	25.3
70.46086	6.8
71.04993	3.5
75.34151	1.8
79.05490	100.0
81.03433	4.0
81.06594	3.4
81.07056	48.3
83.04977	8.9
83.08612	13.3
85.06502	2.8
90.96968	2.0
91.05475	63.1
93.07043	54.4
93.07633	2.6
95.04962	10.1
95.08603	29.5
97.06510	12.1
97.10168	15.3
105.04518	2.9
105.06313	3.4
105.07030	83.5
107.04955	35.2
107.08591	95.3
109.06504	11.1
109.10158	18.6
111.08077	4.2
115.05456	3.4
117.07013	20.1
118.53423	2.0
119.06062	3.6
119.08582	46.6
121.06493	5.3
121.10124	18.1
123.08065	3.8
123.11662	3.6
125.09632	17.5
129.07008	7.5
130.07739	3.7
131.08559	36.1
133.10135	40.8
135.08028	6.3
135.11691	8.1
141.06963	2.6
143.08600	9.9
145.06461	3.3
145.10117	75.8
147.11676	38.7
149.09619	30.0
149.13255	3.2
151.11174	2.3
153.12735	2.5
155.08519	2.9
155.10699	3.1
157.10127	8.0
159.11693	30.2
161.09604	3.6
161.13234	11.6
163.11171	9.4
169.10126	8.0
171.10187	4.2
171.11694	12.8
173.13225	11.2
175.14827	2.8
177.12811	2.1
179.14214	3.4
183.11661	8.1
185.13280	11.1
187.11134	3.6
189.11223	11.0
197.13211	6.3
203.14343	3.6
219.17424	7.8
229.19510	5.6
239.17999	14.9
247.20506	2.3
257.18982	48.6
275.20056	75.6
331.22577	7.2
349.23730	61.6
350.24103	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01853	4.1
55.05512	22.4
55.39206	2.3
57.03205	3.6
57.03444	47.3
67.05509	37.9
69.07072	20.3
70.85813	6.2
71.04987	6.2
77.03886	2.9
79.05074	4.0
79.05497	51.2
80.79920	2.3
81.07063	44.9
83.08609	6.7
85.06543	6.7
86.62804	2.6
91.05480	70.3
92.05815	2.7
93.07046	59.4
95.04967	6.1
95.08606	41.6
97.06528	5.6
99.08085	7.4
105.07037	79.9
107.04971	3.6
107.08593	32.0
109.06525	7.8
109.10155	8.3
111.08100	5.3
116.06229	2.5
117.07032	36.7
119.08588	63.5
121.06503	4.6
121.10134	19.7
123.08051	5.3
123.11674	2.8
125.09651	2.5
128.06223	4.0
129.07033	16.0
131.08557	36.0
133.10130	35.9
135.08054	7.0
135.11693	12.0
142.00641	2.8
143.08575	14.1
145.10117	59.9
147.11694	30.1
149.09619	12.7
149.13269	3.3
152.48067	2.3
155.08607	4.1
157.10152	23.3
159.11697	57.6
159.12897	4.8
161.09593	5.3
161.13298	18.0
163.11218	6.6
169.10139	9.4
171.11681	10.3
171.52213	2.7
173.13269	22.9
175.14838	6.2
177.12813	3.1
183.11729	8.0
185.13263	26.4
187.11154	3.3
197.13293	10.5
201.16354	5.7
203.14320	12.4
211.14876	4.2
215.18004	3.7
219.17438	26.1
229.19502	8.9
234.65456	2.7
239.17923	25.6
251.09195	3.2
257.19019	48.2
258.19409	2.4
275.20093	44.4
277.17996	2.8
319.24030	2.6
331.22726	3.0
342.15305	2.4
349.23752	100.0
350.24173	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
55.01855	11.6
55.05511	30.1
57.03438	46.9
57.07059	5.3
60.08153	8.1
66.81024	3.1
67.05505	57.1
69.07063	28.2
71.04981	6.6
71.48786	4.0
79.05493	81.7
79.68633	3.7
81.07059	65.1
83.04971	9.1
83.08628	17.3
85.06532	7.8
86.09708	6.4
91.05482	76.9
93.07056	65.3
95.04945	8.4
95.08614	53.0
97.06526	13.1
97.10177	6.9
99.08053	4.8
100.62165	2.9
103.05475	5.9
105.04493	5.2
105.07033	87.7
107.04986	6.1
107.08590	71.3
109.06509	15.3
109.10132	19.7
111.08063	4.8
115.05386	5.1
117.07008	34.8
119.07806	6.0
119.08585	68.9
121.06558	6.0
121.10135	27.0
123.08047	16.7
125.09623	9.7
128.06200	6.5
129.06982	21.2
131.08571	50.8
133.10123	38.3
135.08055	7.5
135.11684	13.5
137.09608	5.3
141.06956	5.0
143.08623	17.7
145.10132	56.8
147.11707	40.2
149.09628	15.5
149.13306	4.4
151.11166	4.0
157.10136	20.8
159.11703	55.0
161.09659	5.6
161.13217	21.0
163.11150	12.0
163.14795	3.9
165.12672	4.3
169.10088	9.7
171.11694	12.9
173.13251	19.1
175.11125	4.4
175.14851	12.1
177.12761	4.6
179.14275	10.3
183.11591	5.0
185.13287	37.4
187.14784	6.4
189.11018	3.4
191.14357	4.5
197.13301	5.8
203.14311	14.9
211.14824	4.5
219.17491	20.6
229.19518	8.1
239.18030	24.9
257.19034	44.8
263.75040	3.5
275.20068	67.2
293.21420	4.8
331.22729	4.9
349.23700	100.0
349.27475	9.9
350.24020	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.1
55.01853	5.4
55.05514	33.5
57.03440	80.6
57.07073	5.9
65.03926	4.5
67.05508	60.4
69.03378	3.8
69.07069	34.0
69.36558	10.3
69.36977	17.9
71.05006	5.1
79.05495	84.3
81.03419	3.6
81.07059	85.4
83.04969	5.3
83.08606	15.6
85.06534	11.2
91.05482	79.3
92.05791	3.5
93.07043	92.7
95.04964	11.7
95.08614	62.0
97.06527	9.1
97.10147	7.9
98.76869	2.9
99.08089	9.5
103.05399	7.9
105.04510	3.6
105.07038	100.0
107.04945	6.0
107.08593	59.7
109.06513	16.5
109.10175	18.2
111.08090	6.7
115.05432	3.8
117.07020	33.0
119.07829	4.5
119.08590	72.0
121.06496	7.3
121.10148	30.1
123.08080	33.0
123.11713	5.9
125.09634	7.2
128.06250	6.5
129.07011	18.1
131.08568	38.3
133.10144	36.2
135.08057	3.6
135.11700	16.3
137.09673	5.1
140.45975	3.3
142.07706	3.9
143.08551	27.1
145.06500	4.0
145.10109	30.9
147.11671	27.9
149.09610	13.3
149.13272	3.9
155.08553	4.9
157.10143	19.8
159.11679	30.8
161.13242	18.0
163.11169	12.2
169.10249	3.7
171.11679	6.2
173.13258	20.0
175.11241	5.5
175.14796	9.4
177.12889	4.4
179.14348	17.5
183.11685	7.2
185.13275	43.8
187.14760	4.9
191.14291	4.1
197.13249	3.3
199.14716	4.8
201.16309	5.8
203.14297	24.0
208.78246	3.2
219.17451	11.5
221.15265	4.4
229.19450	4.0
239.17909	9.5
257.18991	26.0
275.20062	66.0
277.18106	5.0
293.21149	6.4
320.59067	3.1
331.22675	4.4
339.77682	3.3
349.23639	57.4
349.27441	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03932	0.4
55.05505	2.5
57.03434	0.6
57.07077	5.0
65.03893	0.4
65.53833	0.3
67.05170	0.4
67.05505	4.1
69.07065	3.5
69.33035	2.5
71.04999	0.6
71.08638	2.8
79.05505	4.0
81.06609	0.4
81.07059	7.0
83.04961	0.7
83.08609	1.3
85.06541	2.4
91.05476	2.2
93.07043	3.5
95.04948	1.0
95.08610	6.8
97.06509	0.7
97.10159	1.0
99.08120	1.7
105.07043	3.1
107.08603	4.0
109.06523	20.4
109.10140	2.1
109.56262	0.4
111.08080	1.0
117.07011	0.4
119.08586	3.2
121.10146	2.4
122.07293	2.1
123.08074	27.1
123.11702	1.1
131.08559	1.1
133.10153	1.9
135.08061	4.2
135.11659	1.1
137.09599	0.7
143.08568	0.4
145.10121	1.7
147.11688	1.5
149.09612	0.8
149.13237	0.5
150.05339	0.3
157.10095	0.9
159.11667	0.7
161.13261	0.7
165.12752	1.0
167.14313	0.9
171.11665	0.5
173.13187	0.5
177.12842	0.4
179.14319	100.0
180.14662	1.3
185.13129	0.4
187.14902	0.4
193.15926	2.8
194.89726	0.3
197.13216	0.5
213.16344	0.7
225.16423	0.4
233.19043	0.4
248.48766	0.4
265.19547	0.4
275.20074	0.8
289.25458	0.5
293.21228	0.8
331.26392	2.8
349.27414	79.9
350.27704	1.5
351.66782	0.3
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
52.40301	0.5
53.03949	0.7
53.64362	0.5
55.01873	0.9
55.05513	5.5
57.03417	0.6
57.07079	1.4
64.47353	0.5
64.63267	0.5
67.05508	5.1
69.07074	9.9
71.04987	1.4
71.08603	0.9
71.33456	1.0
73.06547	0.5
75.89631	0.5
79.05498	3.8
81.07060	8.9
83.04980	1.0
83.08613	4.6
83.93369	0.5
85.06566	0.9
91.05484	1.7
93.07051	5.7
95.04991	0.8
95.08604	6.6
97.06522	1.8
97.10172	1.3
99.08079	0.6
105.06998	2.3
107.08587	5.4
109.06525	10.8
109.07286	0.9
109.10177	4.5
111.08086	1.9
119.08582	4.5
121.06541	0.8
121.10142	3.0
122.07248	0.7
123.08074	66.4
123.11684	1.3
124.08415	1.0
125.09632	0.7
131.08589	1.0
133.10117	2.3
135.08058	4.4
135.11691	2.1
137.09645	3.8
137.13293	0.8
145.10127	1.7
147.11702	2.1
149.09584	1.1
149.13283	2.3
151.11185	0.8
159.11682	1.1
161.13277	1.0
163.11270	0.5
165.12724	0.9
167.14343	0.6
169.00780	0.5
173.13339	0.7
175.14694	0.6
179.14323	11.7
275.20056	2.0
281.21436	0.7
289.25369	1.1
293.21121	16.3
303.26770	0.6
307.22638	0.8
331.26306	2.9
349.27393	100.0
350.27826	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03929	0.7
55.01856	0.7
55.05516	6.3
55.72705	0.9
57.03419	1.2
57.07064	1.8
67.05501	6.9
69.07075	13.0
71.04980	1.4
79.05513	4.1
81.07056	10.9
83.04968	1.2
83.08642	4.2
91.05461	3.2
93.07052	6.1
95.08609	7.9
97.06538	2.3
97.10181	1.3
105.07063	3.8
107.08600	8.3
109.06519	11.5
109.10174	2.7
111.08070	2.3
117.07000	1.0
118.64213	0.8
119.08610	4.5
121.10133	3.5
123.08072	76.6
123.11710	2.1
131.08549	1.3
133.10107	3.4
135.08049	4.3
135.11703	2.1
136.08850	0.8
137.09653	4.4
145.10143	1.3
147.11716	1.8
149.09610	1.3
149.13243	2.1
159.11705	2.1
161.13261	1.7
179.14366	3.8
197.16486	0.8
233.19218	0.9
263.19669	0.9
275.20068	2.9
293.21143	18.4
303.26910	0.8
307.22702	1.1
331.26398	3.0
345.26465	0.7
349.27386	100.0
350.27606	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.01687	0.6
53.03926	1.0
53.33878	0.6
55.01863	0.9
55.05517	5.8
57.03438	1.0
57.07065	1.7
67.05510	6.8
69.07069	11.4
69.24133	1.4
69.24541	5.1
71.04980	1.3
71.08613	0.7
75.72132	0.5
79.05495	5.8
80.20329	0.6
81.07056	12.4
82.07388	0.6
83.05003	1.2
83.08617	5.1
85.06559	1.4
91.05492	4.2
93.07042	6.1
95.04991	1.1
95.08614	9.0
97.06524	3.1
97.10198	1.0
99.08067	0.6
105.07018	5.0
107.08602	7.8
109.06530	13.5
109.10145	3.5
111.08084	2.1
119.08614	5.1
121.06512	0.7
121.10128	4.0
122.07294	1.1
123.08074	68.8
123.11696	1.8
124.08420	0.7
131.08595	1.5
133.10120	3.3
135.08058	5.4
135.11691	2.1
137.09647	3.4
145.10133	2.3
147.11690	3.4
149.09624	1.9
149.13246	1.3
149.34232	0.7
151.11226	0.7
157.10194	0.8
159.11707	1.7
161.13303	1.4
163.11208	0.8
165.12787	1.5
167.14302	1.0
171.11801	0.7
173.13300	0.8
175.14926	0.8
179.14314	16.7
275.20129	3.5
278.54489	0.6
281.21304	0.6
289.25275	0.9
293.21127	17.3
307.22620	0.8
331.26324	4.2
340.24561	0.7
340.94037	0.8
349.27390	100.0
350.27673	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	2.0
55.05507	8.9
57.03430	4.1
57.07075	8.6
59.48930	1.5
67.05508	15.7
67.88240	1.5
69.07078	13.7
71.08628	5.0
71.49177	3.3
79.05498	10.8
81.07059	18.9
83.08634	8.2
85.06529	5.5
91.05501	10.1
93.07056	13.1
95.08164	1.4
95.08627	15.5
97.06517	3.8
97.10148	4.0
97.56049	1.6
99.08108	2.0
104.88612	1.6
105.07029	10.2
107.08585	10.4
109.06521	20.2
109.10143	6.9
117.06995	4.1
119.08556	7.2
121.10130	7.2
123.08079	32.6
123.11650	3.4
131.08553	4.7
133.10139	5.8
135.08066	3.2
135.11705	3.5
137.09595	2.0
145.10088	3.6
147.11684	3.5
149.09636	2.0
159.11644	5.2
160.91011	1.8
171.11852	2.1
173.13193	1.8
179.14325	100.0
185.13206	3.1
193.15855	2.9
197.13298	2.0
209.41568	1.6
239.17737	1.7
257.19003	2.7
275.20065	6.2
293.21268	3.2
293.77499	1.7
324.85129	1.7
331.26373	2.8
349.27371	92.6
349.34244	2.4
350.27509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05519	8.2
57.03426	3.7
57.07078	45.9
67.05510	14.1
69.07063	10.6
71.08633	25.5
71.49036	2.6
72.71932	1.2
73.06544	3.8
79.05499	10.9
81.07054	18.9
83.08606	3.9
85.10184	21.9
89.06033	100.0
91.05478	7.8
93.07045	11.0
95.04971	2.5
95.08617	12.4
97.06506	2.2
97.10145	4.4
99.11726	2.6
105.07031	9.8
107.04893	2.7
107.07042	5.7
107.08590	7.9
109.06523	8.0
109.10176	6.0
117.07028	1.9
119.08582	7.6
120.43484	1.2
121.06520	1.5
121.10116	5.7
123.08068	14.8
130.08693	1.4
131.08578	4.8
133.07668	2.2
133.08614	33.9
133.10101	6.3
135.08089	2.7
135.11674	1.6
137.09598	1.6
143.08545	1.8
145.10095	5.6
147.11703	5.0
149.09669	1.7
149.13284	1.7
151.09631	5.1
157.10139	2.4
159.11757	2.7
161.13271	1.8
169.10220	1.4
173.13220	2.1
177.11201	5.8
179.14322	17.6
183.11717	1.6
185.13292	1.4
195.12292	19.0
234.04993	1.2
240.64636	1.4
242.76668	1.5
275.20230	6.4
293.21161	4.7
331.26291	1.7
349.17670	3.0
349.20898	1.7
349.27454	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	350.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
56.05038	7.0
56.96570	38.9
57.03436	4.8
60.04522	3.1
61.01151	4.0
61.02934	3.0
69.03436	9.9
69.07058	1.9
70.06601	18.1
70.98122	2.1
71.02374	2.6
71.04993	3.5
71.95285	2.4
72.08156	11.5
72.96046	1.5
73.02912	2.9
74.02443	2.9
74.06094	3.3
79.05490	2.3
81.03419	6.1
81.03864	1.5
81.07080	2.8
82.06589	4.4
83.05003	2.5
83.06120	1.7
83.99985	1.5
84.04504	7.2
84.08141	15.2
84.63028	1.3
84.96043	5.8
85.02917	20.8
86.06091	1.7
86.09714	12.8
91.03887	1.6
94.29575	1.5
97.02897	13.8
97.06520	2.4
98.06069	1.7
98.97592	100.0
99.04438	2.7
99.97945	2.4
101.00900	5.3
102.00995	2.7
102.05557	4.3
104.05338	4.8
104.83001	1.6
106.06520	2.0
107.04954	18.4
108.05383	1.4
109.02895	3.9
110.06113	1.7
110.07172	10.1
110.97591	19.0
112.05105	12.5
112.99138	2.2
113.00864	3.6
115.00739	1.7
116.07117	4.2
116.98626	29.2
119.01952	7.0
120.02042	4.1
120.08070	2.2
121.01706	1.8
122.06039	2.2
123.04410	3.2
124.07652	1.6
124.99150	2.4
127.00746	2.2
127.03926	6.2
127.08665	8.6
128.98624	17.7
129.10272	4.5
130.05009	4.0
131.01921	6.8
132.02049	4.3
133.03532	1.9
134.99655	6.9
136.06203	9.1
136.07599	2.4
137.05960	2.4
138.05515	5.5
140.03934	2.0
140.07063	2.3
140.98575	2.1
142.05418	3.4
143.00182	4.9
143.01933	5.6
144.02118	2.8
144.98125	2.2
145.01691	3.4
145.03487	2.6
145.04996	3.8
146.03575	1.5
146.99666	6.7
147.03285	3.0
147.04367	3.0
148.06049	2.8
149.02811	1.6
150.05624	2.2
152.05716	4.2
152.07021	3.0
153.05479	1.7
155.01897	3.4
156.02049	2.9
156.11371	1.9
157.03419	2.3
158.01251	1.7
158.04878	3.2
158.99667	31.6
159.03267	1.7
160.06491	3.9
161.01210	3.8
161.02940	3.5
161.04750	1.8
162.03061	2.8
162.99272	1.7
163.02713	2.7
165.00813	1.7
166.05365	8.1
168.06584	2.5
169.99965	2.3
170.05008	3.5
170.08080	6.9
170.11795	1.6
170.99698	6.9
171.03300	2.7
171.14893	1.9
173.01338	1.6
173.03021	4.6
174.03076	2.1
174.99080	1.9
175.02782	2.4
175.09058	6.0
177.00742	17.5
178.54556	2.5
179.02087	1.6
179.55359	1.7
187.02779	2.7
187.04495	2.4
188.00937	3.3
188.05908	2.8
188.09225	9.7
188.12820	3.9
188.54860	2.4
189.00748	3.9
189.04428	5.8
197.99480	2.4
201.00656	3.1
203.04041	2.4
203.08438	2.3
205.00200	2.2
206.07039	20.4
207.05267	2.3
210.04814	2.5
213.12337	2.1
216.00533	7.9
219.01779	18.0
219.09938	2.6
221.05096	3.1
223.01242	1.9
224.08104	13.2
230.02231	4.6
230.07175	10.6
236.95779	2.0
237.02866	22.7
237.09169	3.1
244.16544	3.5
245.05124	3.1
247.03035	3.3
247.05350	3.0
248.03172	6.2
248.08080	50.6
249.02608	1.7
255.04042	2.9
260.08026	4.4
266.09201	7.9
275.07013	1.9
278.09189	2.1
291.07492	15.7
304.07928	2.6
308.07077	2.0
309.08548	37.0
318.03156	1.6
322.08847	2.4
345.04327	2.0
350.18253	4.3
351.09698	14.3
368.12473	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2078
Annotation	Leu Ala Phe
Peak:m/z	Relative Intensity
55.05516	0.5
63.46767	0.4
66.42449	0.4
69.07066	0.6
70.06595	0.7
71.09208	0.5
72.08131	0.5
84.08155	0.7
86.09713	100.0
87.10062	0.7
88.86172	0.4
93.07051	0.8
94.81481	0.4
103.05450	1.0
107.04980	1.5
110.07162	0.5
120.08116	34.1
121.08468	0.6
131.04945	0.7
149.06041	0.9
157.13380	30.0
166.08653	28.3
167.09029	0.5
171.35712	0.4
185.12874	24.3
191.11864	1.1
237.12367	13.0
282.44220	0.4
291.09949	0.4
350.20651	0.6
369.78079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03556	3.5
55.05502	11.3
62.67619	4.4
67.05498	9.6
69.03448	8.2
69.07055	11.5
69.29708	12.3
69.30116	27.7
70.06580	12.9
71.05000	8.1
79.05490	8.2
81.07066	27.8
83.04972	7.3
83.08611	9.4
85.02918	21.2
86.09707	38.1
91.05493	9.3
93.07054	50.6
95.08614	33.8
97.02895	4.6
97.06548	21.8
98.21500	6.7
101.09628	5.2
107.04945	13.5
107.08608	53.2
109.10159	30.7
119.08514	4.5
120.08100	16.1
123.11705	16.5
135.10712	7.1
135.11694	100.0
153.12762	52.5
157.13354	12.0
166.08644	10.0
171.13794	45.5
182.55638	4.1
185.12854	11.5
192.80988	4.5
204.38647	4.7
214.69191	3.8
236.17958	4.2
237.12309	5.7
332.28122	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24160	4.1
53.34606	3.6
53.53087	4.4
56.96564	5.5
58.54386	4.0
69.03437	6.1
71.45445	6.0
84.99604	5.7
85.02899	5.1
94.45757	4.3
98.97586	11.1
101.00900	20.4
103.00654	24.6
113.00874	8.6
115.00610	14.2
115.02431	5.4
116.98510	4.0
117.02215	5.3
119.01923	13.8
121.01672	21.4
122.01422	4.4
131.01906	12.3
133.01662	18.5
145.01656	11.2
145.03433	6.0
155.01886	10.6
163.02658	5.1
168.94534	4.0
170.99539	21.9
173.02921	14.0
187.04613	4.7
189.00664	13.5
194.11066	4.0
198.99088	15.8
201.00594	9.2
203.04045	6.3
217.00119	38.8
231.01747	13.0
231.03546	14.3
243.03700	5.5
249.02856	30.1
261.02618	5.5
291.04141	6.0
294.84586	4.4
351.06927	100.0
351.11462	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00212	6.1
66.38968	7.0
69.91853	29.6
96.03349	6.3
98.21501	13.4
100.85955	6.0
116.69199	6.1
151.19012	7.3
193.54117	7.3
236.36288	7.3
274.46359	7.0
351.06934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	6.5
65.35390	1.4
68.98277	1.8
70.09732	5.1
70.10113	2.9
70.99837	2.7
71.95251	1.9
82.99828	10.5
85.01402	12.0
85.02885	1.8
86.99313	1.8
94.99837	2.3
97.01408	4.1
97.02894	1.8
98.97580	17.3
100.00076	1.8
101.00885	48.7
103.02447	14.4
110.97574	3.2
113.00872	18.7
115.02430	15.4
116.98634	5.4
118.01125	2.9
119.01923	32.6
121.03455	3.0
125.00881	2.5
127.02419	37.2
128.98578	1.5
129.00337	12.7
131.01891	19.5
133.03473	60.8
134.99643	1.5
139.02396	8.8
141.03966	3.6
143.01897	47.6
145.03468	64.3
147.01408	20.8
151.04553	10.1
155.01898	47.0
156.62585	1.7
157.03467	57.8
159.01324	2.6
159.05067	5.8
159.48010	1.5
160.99486	1.5
161.02963	27.8
163.04497	3.5
169.03490	5.3
171.01382	4.8
171.05042	3.6
173.02966	54.0
174.03758	3.6
175.04526	45.4
179.00745	5.0
181.93297	1.9
183.01414	5.3
185.02946	57.9
187.04526	34.3
189.02419	16.7
191.04004	3.3
197.02969	3.4
199.04630	1.7
201.02448	7.6
203.00795	4.7
203.04012	100.0
204.04291	2.4
215.03998	22.2
217.05620	5.7
219.01962	1.9
220.98253	1.8
221.01775	6.6
221.05078	13.9
226.05699	1.5
227.04057	3.0
231.03525	7.8
232.96603	1.8
243.03453	8.8
245.05074	92.4
246.05222	1.9
255.03581	2.1
263.06134	88.8
273.01642	3.3
273.04593	13.9
279.05515	1.8
291.02390	5.7
291.05557	55.5
299.98453	2.0
303.05542	4.4
309.03397	2.1
309.06644	52.7
333.06451	1.8
351.07724	68.9
352.07870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	9.9
61.02898	0.5
61.77539	0.5
62.68624	0.5
62.81433	0.4
69.03419	0.9
70.06606	0.7
70.28139	2.1
71.95264	0.8
72.08173	0.6
77.05443	0.5
79.91953	0.5
84.08150	1.1
84.96043	3.4
85.02898	2.2
87.11627	0.5
90.02382	0.5
97.02895	0.6
98.97592	100.0
107.04967	2.9
110.97576	9.9
112.99147	2.0
116.98627	16.3
120.08144	1.3
124.99113	0.7
126.97085	0.8
127.00694	1.6
128.98611	5.1
129.02289	1.8
129.10240	1.3
134.99654	1.1
140.98592	1.8
143.00160	1.7
143.02000	0.6
145.01746	1.3
146.99602	0.7
147.03294	2.9
147.04329	0.6
152.98630	1.6
158.99667	37.9
165.04384	1.0
170.99670	2.3
171.03302	5.2
175.02759	0.6
177.00723	13.0
189.00798	0.8
189.04353	5.9
201.00694	2.7
207.05476	1.4
219.01787	15.6
223.75986	0.7
231.05429	2.2
237.02859	6.4
249.06390	1.0
252.06558	0.7
291.07507	20.7
309.08582	50.4
310.09015	0.8
351.09653	18.8
352.09421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1008
Annotation	(+)-Monorden D
Peak:m/z	Relative Intensity
55.01862	1.0
55.05508	1.0
56.05010	1.5
57.03428	0.8
58.99578	3.9
60.04512	1.6
61.01132	1.2
63.63415	0.6
67.05497	0.7
69.03403	0.8
69.07060	1.1
70.02951	0.8
70.06593	5.7
71.04980	1.2
71.06917	0.9
72.08133	2.6
81.07043	1.1
82.06545	0.6
84.04483	1.8
84.08146	5.0
85.02917	1.2
85.06538	0.6
86.09711	4.8
86.99030	1.8
87.05582	1.7
88.02216	1.3
88.05875	0.7
91.05460	1.4
93.07034	1.2
95.58092	0.5
97.06552	0.6
97.10140	0.8
100.07653	0.5
104.05329	1.0
105.07034	1.1
107.04964	1.4
116.01688	3.6
116.07069	1.8
119.08544	0.8
120.08078	2.1
128.07074	0.8
129.10237	3.3
130.04982	0.9
130.06511	0.7
132.08131	0.7
134.96237	0.6
135.08055	0.8
136.07619	1.0
137.02888	0.8
143.08160	2.6
143.11839	0.6
143.63315	0.6
144.01065	0.6
144.08366	1.7
146.05948	0.7
146.09619	0.7
147.04449	0.6
147.06796	1.5
147.07985	0.6
150.09152	0.8
158.05994	0.7
158.09653	1.7
159.06824	0.5
160.07570	2.0
161.08330	1.8
162.09154	7.5
166.06880	0.9
171.13773	1.4
172.07614	1.0
174.03769	0.8
174.05466	0.7
174.09157	2.7
175.06250	1.8
176.10822	0.6
177.06134	0.6
178.06859	2.2
186.05562	3.9
186.09134	2.1
187.06265	0.7
187.09976	1.4
188.07082	1.7
189.07896	2.7
189.12660	0.7
190.08655	8.9
191.08559	1.4
192.04761	1.7
192.08463	4.3
194.06323	4.7
200.07062	8.1
202.06822	2.0
202.08652	3.6
206.06386	3.6
207.03525	1.1
214.08647	1.6
215.03897	1.0
215.09412	11.5
218.02710	2.7
219.03503	17.4
220.04327	8.4
220.07881	8.2
222.05855	9.6
230.06355	3.4
232.04283	1.2
233.05066	3.2
247.06615	1.5
248.07419	100.0
249.07646	1.9
267.11121	0.6
291.13376	0.7
305.09546	2.9
322.06265	2.2
323.10571	2.3
333.09241	1.1
351.10104	68.6
352.10312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61767	0.1
53.03949	0.7
61.02933	0.2
65.03944	1.1
65.08138	0.1
67.01868	0.2
67.05494	0.2
69.03432	2.2
69.35933	0.8
69.36366	0.6
71.04993	0.4
73.59569	0.1
81.03423	2.8
81.07071	0.2
85.02905	1.5
91.05487	11.6
92.05822	0.2
93.07037	0.2
95.05009	0.2
97.02898	1.9
99.04450	0.7
103.03940	0.3
105.07058	0.2
107.04963	0.2
109.02881	2.1
112.29694	0.1
119.04947	28.0
120.05255	0.2
127.03945	1.2
147.04416	100.0
148.04782	1.3
159.07985	0.2
165.05481	0.4
173.62349	0.2
187.06073	0.2
291.08606	1.2
319.09583	0.2
351.10773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.03954	0.6
54.91766	0.2
57.03431	0.3
65.03931	1.0
67.01849	0.4
69.03439	2.0
69.28809	1.7
71.05009	0.4
73.61621	0.2
76.87501	0.2
81.03424	2.6
81.20497	0.2
85.02908	1.4
91.05487	10.7
92.05808	0.3
93.06997	0.2
95.08567	0.2
97.02899	2.6
99.04459	0.7
107.04977	0.4
109.02890	3.0
109.10101	0.2
116.31406	0.2
119.04948	26.5
127.03923	1.5
147.04416	100.0
148.04706	1.2
165.05495	0.8
175.07521	0.2
187.06064	0.3
187.07558	0.2
231.06502	0.3
248.44142	0.2
291.08508	1.3
319.09659	0.3
351.10803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	XR 774
Peak:m/z	Relative Intensity
50.19528	0.4
58.30334	0.4
60.12432	0.5
63.30865	0.5
69.03417	0.9
69.52286	1.3
69.52701	2.1
79.05490	0.9
81.03425	0.6
83.04976	0.5
83.89531	0.5
91.05483	3.3
93.07049	0.9
95.04996	0.5
97.93462	0.5
101.44449	0.6
105.07037	0.6
107.04930	2.8
107.08603	0.6
109.02934	0.8
117.07065	0.5
119.04942	3.2
119.08592	0.7
123.04384	0.6
127.03938	0.6
131.04916	0.8
133.06514	0.9
133.10138	0.6
134.03658	2.4
145.06516	0.6
147.04419	9.6
152.10739	0.8
155.88692	0.6
157.47833	0.5
161.05992	0.9
161.09608	0.5
172.05034	0.6
175.07529	1.2
176.08344	0.6
182.08250	0.7
189.05475	0.7
189.07034	2.4
190.07770	2.7
191.08580	2.3
199.07500	0.8
201.07103	0.7
202.07767	8.8
203.08556	4.1
205.06497	3.6
206.07317	1.0
209.09657	0.7
213.07050	0.6
215.08542	3.9
217.06471	1.2
218.07239	4.0
219.08063	8.2
220.08829	5.2
221.09470	0.8
222.06683	0.8
229.06555	1.9
230.07277	6.6
231.08076	11.9
232.08711	3.0
233.06023	4.1
233.09630	2.2
234.06851	1.8
237.09096	1.6
242.07335	1.7
243.08138	0.8
245.06038	2.4
245.09671	1.8
246.06757	5.3
246.14932	0.7
247.07574	9.9
248.08368	10.8
249.09113	2.3
258.06760	6.1
259.07559	10.8
260.08304	6.3
261.05469	7.3
261.08951	3.5
262.06165	1.4
262.09897	1.6
263.10651	3.7
265.08624	3.2
272.08200	0.6
273.05930	1.3
273.09091	18.6
274.06290	3.5
274.09695	1.3
275.07031	8.2
276.07813	20.0
277.08514	5.1
277.11002	0.6
286.06345	0.8
287.07037	1.9
288.07834	1.7
289.05023	3.6
289.08603	11.0
290.05997	0.8
290.09344	14.6
291.10178	14.7
293.08176	3.1
301.08600	10.5
302.09174	0.6
303.06696	0.9
304.07297	15.8
305.08029	10.0
308.10431	1.3
309.05960	2.5
318.08853	2.6
319.09653	100.0
320.10391	16.7
320.14252	0.8
321.07513	1.1
321.10965	0.8
323.12756	2.1
336.10004	2.8
351.12317	38.8
352.12790	0.8
353.60651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48597	0.6
67.05522	0.9
69.03430	1.2
69.51129	4.0
71.04984	0.7
79.05505	1.4
81.03410	0.7
81.07066	1.6
83.15268	0.7
87.02441	0.6
87.39582	0.6
91.05478	1.9
93.07051	1.1
95.04971	0.9
99.04478	0.6
100.11236	0.7
105.06999	1.2
107.04999	3.3
107.08567	0.8
117.07007	0.7
119.04988	0.9
119.08572	1.0
121.10128	0.8
121.59459	0.6
123.04464	0.6
129.53438	0.6
131.04948	1.2
131.08478	0.6
131.41533	0.6
133.10120	0.9
137.05981	1.1
145.06543	0.6
147.04486	3.6
147.08029	0.7
155.04869	0.6
161.06017	1.2
169.06389	0.7
177.06998	1.0
189.07036	1.7
189.09210	0.8
190.07764	2.6
191.08585	1.8
199.07674	1.1
202.07794	8.0
203.08569	5.3
205.06525	3.6
206.07213	0.9
215.08684	2.4
216.09477	0.6
217.06557	1.0
218.07240	4.2
219.03551	0.8
219.08073	7.9
220.08875	4.3
221.09616	0.6
222.06686	0.7
229.06415	1.6
230.07271	8.0
231.08043	13.2
232.08881	3.4
233.06078	4.0
233.09650	1.7
234.06718	1.6
235.11006	1.2
237.09132	0.9
242.07268	1.3
243.08112	1.0
244.08839	0.9
245.05974	2.3
245.09700	1.9
246.06812	4.6
247.07516	11.1
248.08348	8.6
249.09088	1.1
250.06255	0.9
257.06070	1.0
258.06729	6.1
259.07556	9.4
259.10086	1.0
260.08337	4.2
261.05554	6.3
261.08820	3.1
262.06226	2.1
262.09903	0.8
263.07156	0.9
263.10696	3.7
265.08578	3.5
273.05963	1.1
273.09119	17.3
274.06253	3.9
274.09775	1.3
275.07065	6.9
276.07819	18.3
277.08621	6.5
287.07025	1.8
288.07755	1.2
289.05008	3.8
289.08600	8.4
290.05807	1.7
290.09360	12.7
291.10172	14.3
292.10693	0.9
293.07990	4.4
301.08618	10.1
303.06604	1.3
304.07324	15.3
305.08075	9.4
307.09644	0.9
308.10550	1.6
309.05939	1.1
314.46185	0.7
318.08743	1.8
319.09659	100.0
320.10373	15.8
321.07620	1.3
321.11304	0.8
323.12842	1.9
336.09827	2.4
351.12344	41.8
352.12439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05506	1.1
56.05034	3.0
57.03442	0.5
60.04546	0.6
63.19362	0.5
65.03949	0.7
67.05511	1.3
69.03427	1.0
69.07113	0.5
69.61413	3.1
70.06591	6.2
72.08157	3.7
79.05493	1.3
81.03392	0.7
81.07080	0.7
82.06574	3.9
83.07378	1.2
84.04502	1.0
84.08148	100.0
85.02894	1.9
85.06607	0.5
85.08472	0.8
86.09712	2.6
87.02705	0.7
91.05500	1.2
93.07054	1.7
94.60075	0.5
95.05001	0.8
95.08617	1.4
96.53437	0.5
97.02901	1.0
98.20812	1.0
99.02700	0.7
101.04251	17.6
102.05551	0.7
103.05493	0.6
104.98332	0.9
105.06997	0.9
107.04989	1.1
110.06036	0.9
110.07194	1.0
114.05559	0.6
114.41888	0.6
116.07088	2.0
119.08627	0.6
120.08102	6.3
121.06500	1.1
125.04208	1.6
127.05815	1.5
128.07092	0.6
129.10233	3.1
130.08646	5.8
133.05042	0.5
136.07576	0.8
138.09090	0.5
143.08511	0.7
144.17654	0.5
145.08714	0.5
147.04417	0.9
147.11365	2.5
156.09370	0.6
159.03008	1.5
170.06358	1.6
171.06664	1.4
171.11702	1.3
177.04053	11.7
177.10283	1.3
187.02498	3.3
188.07356	0.5
204.13835	0.7
205.03552	4.9
205.09680	0.6
206.15453	1.3
213.10176	0.7
241.09912	0.7
259.10883	0.8
260.11636	1.4
270.09857	6.2
288.10883	22.8
301.11899	1.8
305.13507	1.3
307.84909	0.6
319.12848	3.8
333.10300	1.0
333.13354	1.0
351.14139	44.4
355.71664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03942	0.7
55.01851	1.8
55.05511	3.0
57.03425	1.3
57.07079	0.6
67.05509	4.8
69.03429	1.2
69.07067	1.5
69.85275	2.0
71.08620	1.0
73.17921	0.5
79.05486	4.0
81.03408	1.5
81.07059	4.9
83.04974	0.7
83.08614	1.2
85.10176	0.5
85.74040	0.5
91.05478	3.7
93.07045	3.3
95.04958	1.5
95.08623	3.1
97.06561	0.7
97.10135	0.6
99.08073	1.6
105.07017	4.6
107.04951	3.0
107.08573	2.3
108.05273	0.8
109.06489	0.6
109.10147	1.5
111.08063	1.4
117.07008	0.8
119.04929	0.5
119.08592	2.8
121.06509	0.7
121.10130	1.8
127.03905	0.6
129.07051	0.8
131.08569	1.1
133.06493	0.6
133.10159	2.7
135.11707	1.6
137.05981	0.8
137.09540	0.7
143.08572	0.8
145.10153	0.9
147.04434	3.1
147.11690	2.0
149.13239	0.9
151.11212	0.8
157.10159	0.9
159.11644	0.8
161.09656	1.3
161.13261	1.1
163.11218	0.7
165.12785	0.5
171.11632	0.6
179.14259	0.7
185.13332	0.5
189.05457	1.1
198.74574	0.5
241.08401	0.6
247.07501	0.6
249.09126	0.6
251.02133	0.5
259.20776	0.8
263.10901	0.6
263.39713	0.5
265.08511	0.8
277.21646	3.1
279.10150	0.8
280.10922	0.5
281.11740	1.0
290.09375	0.6
291.10046	0.9
305.11591	0.6
309.11130	1.9
319.09656	0.7
333.11264	1.5
333.20023	1.4
351.12476	5.5
351.21420	100.0
352.21585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
55.05513	16.6
57.03426	9.7
57.07067	3.4
58.71791	3.4
65.03927	4.9
67.05503	46.9
69.07059	12.1
70.43269	2.7
79.05500	71.7
80.79050	3.1
81.07057	55.2
83.08617	8.9
85.06512	3.7
91.05486	52.5
93.07047	100.0
95.04971	6.4
95.08607	40.5
97.06536	5.8
97.10204	4.5
105.07037	53.2
107.04978	4.3
107.08593	54.0
109.10143	13.9
117.06991	14.9
119.08579	59.7
121.10152	48.5
123.11686	6.6
129.07014	6.1
131.08543	18.9
133.10146	47.1
134.61777	3.4
135.11702	52.3
142.07657	3.6
143.08571	9.9
145.10123	21.8
147.11688	49.1
149.09587	3.2
149.13257	22.8
157.10133	7.2
159.11719	21.0
161.13258	43.7
163.14810	7.9
171.11707	18.1
173.13240	11.8
175.11185	3.7
175.14816	14.0
185.13269	15.9
187.14851	3.9
199.14754	8.7
203.14127	3.7
217.16040	5.5
217.19452	3.7
230.93744	3.2
231.17422	4.4
231.21077	7.1
241.19542	34.8
259.20566	99.9
277.21606	20.7
318.30554	3.0
333.24173	8.8
351.25323	70.8
352.25540	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.05511	20.1
57.03427	8.9
57.07071	4.3
58.81071	3.2
67.05507	56.2
69.07066	19.9
69.79580	7.4
69.79971	7.4
71.04958	3.4
79.05496	80.6
81.07054	68.9
83.04988	3.0
83.08606	7.0
85.06551	4.3
91.05486	60.2
93.07050	100.0
93.07636	5.6
95.04971	4.7
95.08613	45.6
97.06492	4.3
99.08083	3.7
105.07040	62.7
107.08600	59.7
109.06535	3.3
109.10139	14.2
117.07021	13.2
119.08584	64.5
121.10154	43.8
123.11718	3.4
129.07010	11.4
131.08591	20.3
133.10138	52.2
135.11690	48.4
143.08563	13.3
145.10143	25.9
147.11693	49.5
149.09686	4.3
149.13280	27.1
157.10187	16.7
159.11687	17.4
161.13289	38.5
163.14825	11.7
171.11688	13.9
172.89676	3.1
173.13248	15.7
175.14824	15.7
176.79732	2.8
177.12672	7.0
185.13333	18.4
199.14851	11.8
203.14455	4.1
213.16374	5.4
215.17996	3.3
217.19624	4.8
231.21133	11.4
241.19569	43.9
259.20599	94.8
260.72226	3.0
277.21771	19.0
293.33154	3.3
320.92853	3.4
333.24100	9.2
351.25269	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
54.71922	3.4
55.01869	6.5
55.05509	30.1
57.03418	14.8
57.07071	7.9
65.03927	5.3
67.05504	82.9
68.63937	3.6
69.03429	4.7
69.07067	33.0
69.79584	9.7
69.79974	6.6
71.08620	17.6
75.57135	3.7
79.05492	84.8
80.77799	3.4
81.03415	6.8
81.06601	5.0
81.07051	75.1
83.04967	7.5
83.08600	17.2
84.16253	3.2
85.06557	4.5
88.67173	3.3
91.05474	65.7
93.06497	5.4
93.07043	100.0
95.04973	10.2
95.08601	44.5
97.06529	8.2
97.10153	8.4
99.08092	10.7
105.07034	62.0
107.04942	13.0
107.08592	62.1
109.06496	7.4
109.10137	21.4
114.16292	3.3
115.82921	3.7
117.07005	12.3
119.07803	5.6
119.08579	56.1
121.06370	4.3
121.10146	47.9
123.08047	4.4
123.11701	4.5
125.09612	6.8
129.07008	11.8
131.08559	22.3
133.10114	51.7
135.11688	46.5
139.11162	3.8
143.08560	16.3
145.10097	25.0
145.54210	3.9
147.11690	55.6
149.09555	6.3
149.13261	30.8
151.11162	5.9
157.10123	11.0
159.11691	19.4
161.13249	34.8
163.11053	4.7
163.14796	13.2
167.08553	4.7
169.10092	4.7
171.11632	20.6
173.13261	9.2
175.11047	5.0
175.14804	13.6
177.12787	4.7
179.14279	4.9
185.13228	15.3
185.14728	3.3
189.12831	5.0
189.81723	3.6
195.11638	6.9
199.14864	8.5
211.31387	3.3
213.16330	6.4
217.19691	5.5
221.13219	4.1
221.15369	3.9
231.21066	6.1
241.19505	33.3
259.20581	82.8
277.21564	29.4
333.24265	8.4
351.25504	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10793	1.8
53.03932	7.3
53.04153	1.6
55.01857	5.9
55.05513	32.3
57.03440	53.9
57.07065	3.0
59.22172	1.5
65.03928	4.9
67.05505	79.5
69.07071	25.5
69.29440	15.0
71.04978	7.5
71.08635	10.7
77.03905	2.6
79.05496	76.6
81.03396	3.2
81.07058	100.0
83.04971	3.8
83.08617	17.9
85.06538	8.1
87.04446	1.7
91.05483	65.9
93.07044	99.0
93.20887	1.6
95.04953	9.0
95.08610	75.1
97.06528	9.0
97.10139	7.8
99.08076	15.4
105.04505	2.6
105.07031	63.7
107.04980	5.6
107.08595	62.4
109.06500	5.4
109.10165	24.4
111.08067	9.8
111.11680	1.8
113.09595	2.7
117.07008	15.0
119.08576	48.1
121.06450	1.9
121.10136	48.3
123.08051	3.3
123.11678	6.8
125.09623	3.6
128.06195	2.2
129.07002	6.7
131.08583	22.8
133.10124	40.5
135.08038	4.2
135.11702	41.4
137.09555	2.2
137.13196	1.9
139.11189	2.7
139.32298	1.8
143.08545	8.4
145.10126	22.2
147.11702	42.7
149.09584	2.6
149.13275	25.1
151.11211	8.3
157.10077	8.6
159.11723	20.8
160.01093	1.7
161.13239	28.1
163.11124	5.6
163.14835	8.0
165.12715	4.4
171.11690	11.8
173.13254	11.0
175.11142	2.1
175.14832	12.9
177.12793	3.3
177.16469	2.3
178.55397	1.8
179.14297	2.8
185.13260	10.1
187.14795	10.7
189.12729	2.4
199.14844	6.8
201.16495	2.1
203.14417	2.2
203.17947	2.8
205.15855	6.3
213.16426	3.2
215.18071	2.3
217.19530	2.9
221.19038	4.4
231.21074	5.7
241.19522	18.2
249.22121	2.2
259.20569	53.5
277.21655	35.2
333.24203	4.5
351.25293	87.2
352.25433	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96127	2.2
52.41989	2.2
53.03941	8.9
54.31462	2.2
55.01868	14.9
55.05515	44.2
56.60831	2.0
56.96567	3.7
57.03440	27.6
57.04621	2.0
57.07066	11.3
60.75249	1.8
65.03935	3.0
67.05508	100.0
69.03436	2.9
69.07071	45.3
71.04987	7.5
71.08633	36.1
71.47706	2.0
75.67075	2.4
79.05497	65.3
81.03415	8.6
81.07059	92.2
81.07537	5.2
82.07378	3.2
83.04990	12.3
83.08621	24.3
85.06544	5.9
85.10183	3.6
89.63529	2.1
91.05487	63.2
92.05824	4.4
93.07047	86.1
94.07343	2.7
95.04960	16.4
95.08612	70.8
96.08930	3.1
97.06551	11.3
97.10169	11.6
99.08099	30.3
105.07034	64.2
107.04948	8.3
107.08599	47.7
108.08861	2.9
109.06510	8.3
109.10155	28.6
111.08077	9.6
111.11762	2.9
111.23363	2.1
113.09673	5.4
115.05461	2.3
117.06999	11.5
119.08577	46.7
121.06544	2.3
121.10151	29.9
123.04411	2.7
123.08067	7.0
123.11708	10.9
125.09642	10.7
128.06238	2.2
129.07016	4.4
131.08562	17.5
133.06520	15.1
133.10136	33.6
134.10606	2.5
135.08061	3.1
135.11699	27.4
137.06026	4.4
137.09619	5.4
137.13210	4.1
139.07574	2.4
139.11185	3.0
142.07819	2.6
143.08586	10.6
145.10118	15.9
146.10574	2.7
147.08096	2.5
147.11693	34.7
149.09607	6.6
149.13277	20.8
151.11206	20.1
151.40434	1.8
153.12747	3.5
157.10118	8.9
159.11682	10.9
161.06003	12.5
161.09624	3.5
161.13269	33.1
163.11151	11.3
163.14845	6.8
165.12784	8.0
171.11699	6.8
173.13269	7.0
175.11247	3.3
175.14856	13.0
177.12723	3.0
179.14333	12.1
185.13255	10.8
189.12755	5.0
193.15826	3.0
199.14908	6.1
203.14287	2.4
210.46985	2.7
217.19513	4.8
221.15474	2.7
231.20999	11.1
241.07623	2.3
241.19556	16.5
249.22182	7.9
259.08508	2.7
259.12009	2.4
259.20578	40.9
261.09119	5.1
275.10678	3.5
275.20114	4.3
277.21588	50.1
293.08185	3.1
304.10989	5.9
305.15375	4.5
318.12473	3.2
319.13315	2.5
333.14667	13.3
333.24176	4.6
333.27835	2.6
347.82068	2.3
351.15802	8.8
351.18689	7.1
351.25299	90.9
352.25378	3.1
369.19714	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05520	19.4
56.96548	3.5
57.03418	9.1
57.07066	4.2
59.64592	3.5
61.02924	2.9
62.22985	2.9
67.05509	52.2
69.07066	16.9
69.59170	7.0
69.59585	14.4
71.04993	2.9
79.05489	64.5
80.64988	3.0
81.06599	4.2
81.07062	61.2
82.56612	2.9
83.04979	6.1
83.08616	8.2
85.10186	5.5
91.05482	60.9
93.06487	6.0
93.07047	88.6
95.04984	3.6
95.08607	41.2
97.06559	4.5
97.10162	6.4
99.08077	5.6
105.07038	58.3
107.08595	47.3
109.06527	5.6
109.10162	16.2
113.09649	7.2
113.18206	2.9
115.68337	3.2
117.07015	11.3
119.08582	55.5
121.10143	33.4
123.11681	4.4
129.07016	11.3
131.08589	21.8
133.10124	48.9
135.11700	39.2
143.08586	9.8
145.10117	28.2
147.11693	51.5
149.13269	23.6
157.10141	9.2
159.11714	24.3
161.13255	39.8
163.11139	3.9
163.14841	9.3
165.12737	8.6
171.11661	14.4
173.13278	13.5
175.14760	15.7
185.13332	17.1
187.43971	3.0
199.14835	5.3
213.16504	5.3
231.21060	9.6
241.19543	35.2
259.20584	100.0
273.07095	3.8
277.21530	14.9
290.28174	3.2
303.20126	2.8
313.12589	3.7
333.24289	5.2
351.25336	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01851	6.8
55.05520	26.6
57.03435	20.6
67.05505	59.9
69.07082	23.3
71.04982	4.1
71.08634	54.0
71.32570	4.1
79.05499	58.6
81.03412	7.6
81.07056	66.6
83.04974	12.3
83.08625	18.8
91.05476	40.8
91.14294	3.4
93.07046	66.1
93.28582	3.3
95.04961	15.9
95.08604	46.0
97.06543	11.8
97.10215	6.8
99.08102	37.9
105.07033	29.6
107.04933	7.0
107.08595	41.2
109.06557	3.7
109.10166	19.8
111.08055	4.9
113.09681	4.1
117.06979	5.0
119.08592	27.8
121.10143	34.7
123.08062	5.6
129.07045	4.8
131.08545	8.4
133.10143	21.8
135.11710	37.6
137.09619	3.8
137.13203	3.6
141.09120	6.1
141.97235	3.7
143.08536	6.7
145.10158	5.2
147.11641	10.6
149.13286	16.8
151.11153	21.2
154.39128	3.1
157.10046	3.7
159.11729	4.3
161.13287	13.6
163.11168	6.9
165.12790	4.7
171.11774	5.4
173.13261	4.4
177.12637	4.6
179.14314	100.0
185.13206	3.3
187.38391	3.2
189.12740	5.4
234.41718	3.7
235.16872	5.7
259.20605	22.4
269.59653	3.3
277.21591	41.6
351.25253	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.05505	14.6
57.03429	11.4
57.07078	4.0
61.61070	2.3
66.41586	2.4
67.05509	42.5
69.07069	18.8
69.20478	5.5
69.20886	21.7
71.04986	3.4
75.04462	2.9
77.03965	2.9
79.05016	3.5
79.05490	73.1
81.07060	59.8
83.08640	5.9
85.06538	4.6
91.05488	55.8
93.07046	100.0
95.04964	3.2
95.08607	38.1
97.06528	5.8
97.10195	3.1
97.56456	2.6
99.08096	5.3
105.07029	55.5
107.08595	51.4
109.10151	12.6
111.08117	3.8
117.06299	2.5
117.07004	12.3
119.08577	56.4
121.10153	46.7
123.11729	3.3
129.06984	8.6
131.08563	18.4
133.10135	51.5
135.11694	41.1
135.27057	2.4
137.05998	2.9
137.13324	2.5
143.08575	9.7
145.10107	18.2
147.11676	53.5
149.09540	4.9
149.13271	28.4
151.11143	4.1
157.10152	9.7
159.11671	18.8
161.09619	3.9
161.13268	38.5
163.11162	3.5
163.14822	12.2
171.11688	18.5
173.13213	13.2
175.11142	3.4
175.14835	21.0
177.12756	3.6
185.13243	17.5
187.14806	4.5
199.14845	8.8
203.14268	3.0
213.16402	4.8
215.17900	2.5
217.19516	5.5
221.15547	2.7
231.17480	4.9
231.21059	11.9
241.19504	40.9
259.20572	100.0
277.21658	14.9
310.60660	2.6
333.24326	8.7
351.25290	77.4
351.61102	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
53.11559	3.1
55.05515	17.8
55.57308	2.6
57.03420	7.7
67.05183	3.9
67.05508	46.2
69.07068	17.7
69.99976	12.3
70.00331	4.9
72.17389	2.6
77.03921	3.3
79.05075	4.1
79.05498	58.6
81.06599	3.6
81.07059	52.4
81.09248	3.1
83.08597	6.8
91.05488	40.8
93.06506	5.4
93.07055	86.0
93.07642	5.3
95.08618	35.4
97.10128	3.9
99.08075	3.6
102.78493	2.9
105.07035	49.0
107.08599	52.6
109.06528	3.1
109.10135	11.6
117.07002	9.7
119.08588	48.2
121.10155	40.5
129.06992	6.8
129.78749	2.6
131.08562	20.1
133.10150	40.9
135.11687	41.4
137.09563	4.2
142.07788	3.5
142.58034	3.4
143.08632	6.9
145.10095	21.8
147.11688	48.1
149.13237	24.5
157.10120	8.0
159.11697	17.5
161.13261	39.5
163.14807	8.5
171.11670	14.3
173.13245	9.3
175.14835	17.4
185.13280	10.6
199.14804	7.5
213.16370	3.9
231.17360	4.0
231.21065	5.8
241.19550	29.6
259.20593	100.0
277.21579	12.1
333.24072	4.6
351.25357	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01872	2.3
55.05515	22.2
57.03418	6.5
57.07074	4.7
57.26370	2.0
65.03917	2.9
67.05507	56.8
69.07074	24.4
71.04985	2.9
71.08611	3.1
71.49086	2.2
79.05492	62.9
81.07054	73.6
83.04987	5.4
83.08606	8.9
85.06536	4.2
88.18299	2.0
91.05482	50.4
93.07047	100.0
95.04951	9.7
95.07987	3.2
95.08612	65.0
97.06529	4.1
97.10151	6.8
99.08078	5.9
101.06004	2.7
103.32396	2.4
105.07034	65.1
107.04970	24.2
107.08600	60.9
109.10157	29.8
111.08090	2.4
111.11739	2.3
112.25502	1.9
113.09641	2.3
117.07016	11.3
119.08586	57.9
121.09346	3.9
121.10151	54.3
123.08074	2.5
123.11727	12.8
129.07013	9.1
129.12036	2.4
131.08592	23.3
133.10136	48.1
135.11696	45.7
137.09653	3.1
137.13379	2.9
143.08571	10.5
145.10121	30.1
147.11696	51.6
149.13258	33.6
151.11165	4.3
153.82777	2.6
156.09308	2.6
157.10152	14.9
159.11697	28.5
161.13258	43.6
163.14818	13.9
169.10168	2.6
171.11674	22.1
173.13254	16.7
175.14835	19.5
177.12718	2.1
177.16389	3.3
179.14351	3.6
183.11617	3.1
185.13277	18.6
187.14761	10.6
189.12680	2.6
189.16347	5.0
197.13269	4.1
199.14832	11.6
201.16420	7.4
203.17894	3.1
213.16386	10.4
215.18013	5.2
217.19536	4.5
225.16347	2.4
227.17947	5.2
229.19421	4.1
231.21053	8.2
239.17836	3.0
241.19528	35.6
253.19579	3.2
255.21136	3.7
259.20578	84.7
260.20804	2.3
267.21057	3.6
269.22589	3.0
277.21634	17.5
281.22800	5.1
295.24173	4.9
333.24158	7.2
351.14282	2.6
351.25290	63.5
351.30402	77.0
374.55057	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	1.2
67.05183	0.8
67.05506	7.3
69.03415	2.3
69.66853	3.8
70.06587	1.4
72.08150	0.7
76.97254	0.8
84.08143	1.6
85.02922	3.6
85.06538	1.7
86.09714	1.1
95.04969	10.1
97.02895	1.8
105.07021	1.0
107.04983	6.8
109.31892	0.7
113.05991	4.0
119.08521	0.7
120.08088	1.6
121.10132	0.8
127.03941	1.2
127.07564	1.1
141.05469	100.0
142.05841	1.4
145.04948	1.1
145.08632	0.8
155.07037	11.8
155.24783	0.7
159.06532	1.6
173.08102	7.9
180.08662	0.9
217.33292	0.7
306.15979	0.8
312.90741	0.8
352.12964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01861	5.5
57.03424	3.7
61.02908	4.4
62.31136	3.5
69.03430	36.3
69.07069	97.3
69.54560	17.2
71.04969	4.5
73.02902	7.5
81.03423	27.3
85.02906	98.0
87.00832	49.1
97.02886	61.4
99.04447	13.9
105.01866	100.0
109.02870	19.7
117.01854	4.0
127.03925	85.6
129.01816	3.3
132.02290	2.7
139.13531	2.6
140.93057	3.1
145.03918	5.2
145.04961	62.2
159.02870	13.2
177.03967	3.1
177.09030	3.1
191.14371	4.1
231.05002	34.1
249.06053	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
55.05505	14.3
60.04522	19.2
66.92855	3.9
67.05486	11.2
69.03436	33.7
69.07070	27.4
70.06576	14.7
71.04997	6.2
71.47484	5.0
71.47871	6.7
72.07759	6.7
72.08154	100.0
73.02918	4.9
81.03403	15.7
81.07061	6.1
84.08142	19.9
85.02905	51.9
85.06538	23.7
86.09710	25.3
87.00814	29.7
91.05505	9.0
93.07041	8.3
95.04966	20.4
95.08595	4.8
97.02878	26.0
99.04455	14.3
101.04256	15.4
102.09182	6.1
105.01875	35.2
105.06989	5.2
107.04951	28.9
107.08592	10.5
108.31957	4.9
108.94010	4.5
109.02872	15.9
109.10159	8.2
110.07193	5.2
113.06048	5.9
116.07072	4.9
119.04916	6.6
120.08113	55.1
121.10131	7.9
123.08087	5.5
125.04259	6.3
127.03925	68.9
127.07552	17.9
129.10234	9.6
136.07591	54.5
140.10709	11.2
141.05432	7.2
145.04951	37.5
148.09705	11.5
155.07008	26.9
155.10710	10.8
159.11261	21.0
163.14722	4.7
166.08646	33.9
172.07632	10.5
173.08151	7.0
173.11719	6.0
173.13084	7.5
177.04074	10.0
187.02438	11.3
187.10736	23.9
191.14314	11.3
193.09732	27.3
207.11272	7.6
224.53091	4.6
231.05057	27.6
246.14886	6.6
247.48383	5.1
249.05994	13.5
253.11885	35.5
288.10931	7.9
334.11456	11.5
352.12360	10.5
352.18835	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05502	13.6
56.05030	4.3
57.03439	7.1
57.03890	4.2
60.04529	34.0
67.05492	15.6
68.99882	4.5
69.03431	36.1
69.07074	33.0
70.06596	11.0
70.76804	12.2
71.05026	6.4
72.08160	100.0
79.05499	7.1
81.03420	14.2
81.07047	4.8
83.68221	4.7
84.04514	6.7
84.08146	28.3
85.02907	60.2
85.06536	16.0
86.09716	30.4
87.00832	29.2
91.05468	12.3
91.75474	4.6
92.29325	5.1
92.47459	4.7
95.04980	19.7
95.08574	7.2
97.02890	35.6
99.04468	17.0
101.04234	13.8
105.01871	44.7
105.07033	7.8
107.04962	37.0
107.08569	9.0
107.62772	5.4
109.02882	13.8
109.10186	5.4
117.22425	4.8
120.08112	59.2
121.06571	5.7
121.10145	8.8
121.18563	4.3
125.04256	4.3
127.03916	66.4
127.07549	19.0
129.10193	4.8
131.08636	6.2
132.10187	6.2
133.10133	5.5
136.07564	50.9
140.10753	10.4
145.04950	35.8
148.09663	9.5
155.07028	25.0
155.10698	11.5
159.02975	6.6
159.11328	20.3
166.08638	29.0
173.13084	10.4
177.03999	6.4
187.02504	8.2
187.10820	29.7
191.14377	21.9
193.09779	20.7
204.05034	5.4
207.11327	20.4
221.09250	6.2
231.04958	30.6
249.06059	14.4
253.11819	30.7
288.10886	8.9
334.11462	7.1
342.69962	4.4
352.12296	7.5
352.18475	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.7
56.05037	1.1
58.09579	0.9
60.04263	1.7
60.04528	17.3
69.03437	2.3
69.07069	6.7
70.06583	2.6
72.08158	100.0
81.03415	1.5
85.02914	7.6
86.09731	5.5
87.00819	3.5
87.05637	1.4
91.05484	2.3
91.92165	1.1
94.39639	1.2
95.08640	1.2
97.02889	4.8
99.04487	1.5
105.01849	5.2
107.04964	20.3
109.02834	2.2
109.10214	1.5
111.09172	1.2
114.09145	1.4
119.04927	2.6
120.08110	45.4
121.08379	1.2
127.03925	4.8
132.10205	1.3
136.06198	13.1
136.07578	25.6
137.09544	1.2
140.10721	4.5
141.10260	1.6
144.08076	1.7
145.04935	3.8
155.10687	1.9
159.11299	22.2
166.08655	38.5
172.07561	2.1
181.28632	1.3
185.08232	1.4
187.09068	1.6
187.10780	27.8
193.09744	11.4
202.10739	1.5
207.11304	4.5
220.11949	15.8
221.09268	1.4
226.85921	1.3
235.10886	2.4
246.14958	4.4
253.11838	32.9
352.19064	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60447	0.6
55.01403	0.6
55.05515	2.9
56.05023	1.3
60.04541	0.9
60.95339	0.6
67.05510	0.7
69.03448	0.6
69.07077	0.9
70.06584	2.0
71.47758	1.1
72.08157	35.1
74.06098	1.1
81.03384	0.7
84.04492	1.9
84.08149	1.9
85.02899	0.7
86.09711	4.0
91.05491	1.4
93.07041	1.1
102.05533	0.9
103.05469	2.5
107.04956	1.6
110.07134	1.6
120.08110	100.0
121.08438	2.7
136.07542	4.0
138.05499	2.2
141.06607	1.1
143.11813	1.7
146.47174	0.6
148.06090	1.1
159.07660	0.8
166.08694	1.4
171.11339	1.1
172.09674	0.7
177.10223	2.9
182.08197	0.9
187.07153	0.7
187.10786	1.2
190.08693	0.9
203.06322	1.0
205.09900	1.0
205.11909	1.9
215.30246	0.6
219.14943	33.0
231.11238	1.0
235.05482	3.9
239.10439	0.7
247.14474	10.4
249.04594	1.1
249.06952	14.1
289.27335	0.6
295.07602	0.5
306.09079	2.8
352.09619	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.085
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96563	2.0
70.50702	3.9
70.51009	1.9
80.17616	1.7
89.44389	2.0
98.21445	1.8
98.97594	2.8
99.78569	1.6
172.97684	1.9
208.14584	1.8
208.99649	1.7
211.33328	1.8
232.99789	5.0
353.08475	100.0
354.08710	3.1
372.40451	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	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05497	0.5
65.03947	2.6
65.17855	0.3
67.05502	1.3
69.07070	0.7
69.12712	0.3
71.59492	0.3
77.03929	0.8
79.05483	1.7
81.03412	0.6
81.07049	1.4
91.05485	62.2
92.05832	0.5
93.07046	0.9
95.04991	0.7
95.08604	1.0
97.06544	0.5
105.07037	1.0
107.00507	1.4
107.04939	0.9
107.08578	0.8
108.01288	5.4
109.10151	0.6
111.08059	0.5
119.08574	0.5
121.10125	0.7
131.08508	0.4
135.11734	0.4
137.05933	0.4
143.08568	0.5
147.11635	0.4
152.06192	0.5
154.07761	0.5
159.11688	0.4
161.13316	0.4
183.03603	10.8
184.04384	2.6
185.05159	5.5
201.04677	1.2
219.05670	0.8
261.08295	9.2
262.09012	5.1
266.08548	0.3
293.07327	2.8
294.08051	13.7
295.08569	0.3
353.14523	100.0
354.14813	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	353.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
54.06332	0.6
55.01866	0.9
55.05490	2.2
57.03443	3.3
57.07073	3.0
61.02919	1.5
67.05475	2.3
69.03089	0.7
69.03429	9.4
69.07062	2.9
69.81654	2.9
70.06561	2.6
71.01323	1.2
71.04970	1.4
73.02896	1.6
79.05466	2.3
81.03399	2.0
81.07057	6.6
83.04937	1.7
83.08610	2.2
84.08125	1.2
85.02907	3.3
85.06555	5.1
86.09689	0.8
91.05462	2.2
93.07044	3.1
95.04967	3.5
95.08622	5.0
95.47367	0.6
97.02887	1.5
97.06519	1.0
99.04418	2.5
105.07011	2.3
107.04932	1.1
107.08592	6.3
109.06500	2.2
109.10107	1.9
111.04404	1.0
111.08057	1.8
119.08572	3.5
121.06530	1.4
121.10143	5.9
123.08035	2.8
123.11711	4.1
127.03898	2.6
127.07473	0.7
131.08530	1.9
133.10159	3.3
135.08023	2.2
135.11679	2.8
137.05959	0.8
137.13223	0.6
145.04997	0.8
145.08589	4.9
145.09616	0.7
145.10141	0.8
147.11655	1.9
149.09578	0.7
149.13258	5.3
153.09055	1.5
155.07051	0.6
159.09189	27.2
161.13153	1.0
163.11182	1.0
163.14810	2.6
167.14346	0.7
173.10822	3.5
173.13239	1.8
175.14740	0.7
179.14204	1.0
191.14293	7.6
201.10237	48.1
203.11763	0.9
209.15302	2.5
219.11307	12.7
242.60733	0.6
264.30405	0.6
317.17508	1.2
335.12271	1.1
335.15887	13.9
353.16971	100.0
354.17380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
54.29479	1.6
55.01878	2.0
55.05510	2.5
57.03431	3.0
57.07077	2.6
67.05507	3.6
69.03435	20.0
69.07076	14.9
69.79896	8.4
70.06594	1.9
70.07426	2.5
71.05009	2.2
73.02905	2.5
75.33344	1.4
79.05479	5.5
81.03400	6.4
81.07064	6.8
83.04974	5.1
83.08626	2.9
85.02911	14.0
85.06533	2.9
86.03246	2.1
91.05481	10.2
93.07055	9.6
95.08622	11.0
97.02899	10.7
97.06535	6.6
99.04449	3.0
105.01866	3.9
105.07034	9.9
107.04961	1.9
107.08595	35.4
109.02900	1.7
109.06519	3.2
109.10151	5.0
112.23034	1.4
115.05514	1.5
119.07729	1.8
119.08581	33.0
120.87865	1.4
121.06528	11.1
121.10146	20.1
123.08064	5.6
127.03935	7.1
129.07028	1.9
131.08566	11.5
133.10138	26.2
135.08060	18.3
135.11688	10.8
137.06018	1.5
137.09619	5.4
142.92073	1.4
143.08536	3.4
145.04984	2.8
145.10146	6.6
147.08003	2.7
147.11688	22.7
149.09636	5.0
149.12173	2.3
149.13269	18.6
157.10144	2.2
158.10905	7.4
159.11678	2.4
161.09657	2.4
161.13249	2.8
163.14838	6.1
173.13257	27.3
175.14822	27.3
177.12701	1.6
185.13240	1.8
187.14795	2.6
189.12720	2.7
191.14313	100.0
203.14400	2.5
209.15378	2.3
215.14262	1.9
233.15205	1.9
245.15379	1.9
287.16354	3.2
317.17581	4.3
335.18555	5.6
353.19620	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82327	0.9
53.03965	1.8
55.01871	2.8
55.05495	5.1
57.03431	1.7
61.02914	1.3
67.05507	5.2
69.03432	14.2
69.07072	12.8
70.07926	4.5
71.01363	2.2
71.04986	1.6
73.02901	1.5
79.05505	3.9
81.03413	3.6
81.07054	4.5
83.04969	7.8
83.08618	2.2
85.02908	9.3
86.09692	1.4
91.05482	7.0
93.07043	9.6
95.04981	3.0
95.08608	10.5
97.02898	7.6
97.06535	7.6
99.04456	1.5
105.07049	9.2
107.04964	4.0
107.07887	2.1
107.08600	34.0
109.02865	1.3
109.06528	3.6
109.10151	7.3
111.04436	1.2
111.08074	1.2
117.07051	2.8
119.08585	34.7
121.06529	10.5
121.10158	16.0
123.04438	1.5
123.08067	3.3
127.03927	5.0
131.08577	9.5
133.10135	24.2
135.08067	17.7
135.11681	11.7
136.77882	1.3
137.09648	7.1
143.08536	3.6
145.04918	1.4
145.10112	5.6
147.11684	26.9
149.09641	3.9
149.13257	13.2
158.10922	4.7
159.11743	2.1
161.09624	2.4
161.13239	2.6
163.14758	6.0
171.11682	1.9
173.13269	27.4
175.11169	1.3
175.14825	24.3
189.12778	3.7
191.14310	100.0
192.14603	1.9
193.15868	2.3
203.14278	1.6
209.15413	1.3
215.14334	1.2
233.15375	1.9
271.16989	1.5
287.16428	5.3
292.95496	1.2
317.17416	2.7
331.85138	1.1
335.12448	1.1
335.18655	5.8
353.13562	1.4
353.14572	1.4
353.19617	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	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01878	9.7
55.05510	28.2
57.03436	12.9
57.07077	24.2
67.05504	34.2
69.03431	80.1
69.07072	43.4
70.86534	12.3
71.01344	7.2
71.04986	8.7
72.08165	10.1
74.90217	4.5
75.28756	4.0
79.05507	35.4
81.03424	13.3
81.07054	88.7
83.04977	16.8
83.08611	26.8
85.02911	30.8
85.06539	12.9
91.05476	32.6
93.07044	48.0
95.04976	18.5
95.08612	92.1
97.02901	21.9
97.06512	10.2
99.04449	16.7
105.07028	33.0
107.04976	10.9
107.08596	88.5
109.06522	35.7
109.10191	36.5
111.04452	15.5
111.08089	37.1
111.11644	4.9
111.77972	4.1
113.06006	4.3
113.09643	10.8
115.03936	14.9
117.07051	8.2
119.08595	35.7
120.08072	4.8
121.06521	17.6
121.10152	91.8
123.08059	29.0
123.11705	100.0
125.06025	8.7
125.09637	9.7
127.03906	20.7
129.06975	4.8
131.08560	17.3
133.10146	27.2
135.08083	25.2
135.11702	38.8
137.05975	12.7
137.09631	13.7
137.13258	8.3
139.07590	4.3
145.10127	10.9
147.11694	15.8
149.09650	13.9
149.13269	68.6
153.09119	12.1
155.07088	6.0
157.10188	6.9
158.10803	5.9
159.11702	7.6
161.09586	6.6
161.13258	9.6
163.07550	5.0
163.11212	10.4
163.14827	46.0
165.09056	6.3
167.14319	21.0
171.10210	7.7
173.09604	4.4
173.13297	26.0
175.14827	7.0
177.12737	6.8
179.14357	18.6
181.08681	7.1
189.12778	8.1
191.10674	9.1
191.14287	75.3
203.14334	10.4
209.11935	5.1
209.15369	35.7
221.15392	8.2
262.54385	4.5
335.18567	15.3
353.19583	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01860	0.7
55.05496	2.1
57.03428	2.3
61.02914	0.9
63.74600	0.6
67.05482	2.0
69.03432	16.1
69.07072	13.3
69.54070	3.8
69.54483	1.2
71.04986	1.5
73.02912	1.0
79.05479	2.1
81.03413	2.0
81.07075	6.0
83.04970	2.9
83.08611	1.4
84.08186	0.7
85.02911	9.7
85.06534	1.7
86.09700	0.8
91.05474	3.7
93.07050	3.9
95.08612	6.6
97.02914	3.4
97.06557	1.0
99.04472	1.5
105.07030	5.5
107.04978	1.0
107.08607	12.2
109.06514	3.2
109.10150	1.0
111.08100	4.9
117.07014	1.0
119.08586	5.6
121.06496	2.3
121.10149	7.8
123.08074	5.3
127.03925	4.1
129.06888	0.7
131.08598	9.0
133.06512	0.6
133.10135	8.6
135.08073	15.3
135.11732	3.1
143.08551	2.0
145.04953	1.3
145.10078	2.8
147.11670	5.5
149.09644	7.2
149.13272	2.8
150.81107	0.6
158.10907	3.0
159.09192	1.2
163.14844	3.9
173.13275	16.7
175.14792	1.3
191.14319	100.0
192.14619	1.5
201.10223	1.9
335.18518	0.9
353.20056	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	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44682	2.7
53.03954	6.8
53.10120	2.9
54.28004	3.2
55.01865	5.1
55.05510	15.0
57.03437	11.5
57.07075	24.9
61.02933	4.2
63.14820	3.5
67.05503	10.9
69.03433	43.6
69.07074	20.5
69.54099	15.0
69.54515	5.8
70.06597	7.8
71.04989	9.4
72.08166	3.0
74.06071	8.4
79.05498	14.6
81.03430	13.1
81.07060	34.7
83.04982	11.5
83.08617	8.2
84.08152	8.3
85.02908	25.7
85.06539	39.7
86.09707	10.5
87.00809	3.8
91.05487	20.2
93.07044	37.2
95.04981	18.0
95.08611	23.7
97.02902	12.6
97.06530	7.3
99.04466	14.0
103.03936	4.1
105.01881	4.7
105.07037	24.9
107.04949	4.7
107.08603	62.3
109.02910	5.8
109.06519	14.3
109.10184	13.7
111.08089	8.6
113.09545	4.0
116.07077	3.6
119.08603	27.1
121.06532	8.2
121.10149	75.0
121.21822	3.0
123.04520	4.1
123.08077	10.7
123.11710	18.2
125.06009	3.8
126.09096	3.1
127.03955	17.9
129.07008	3.2
131.08586	22.3
133.10133	23.8
135.08061	19.0
135.11710	20.6
137.09642	6.3
139.07555	4.2
143.08588	4.3
145.08617	34.0
145.10117	13.4
147.11681	19.2
149.09628	12.3
149.13245	38.4
153.09102	6.9
159.09178	13.6
159.11655	6.1
161.09627	5.0
162.05542	4.0
163.14822	42.7
165.09204	4.0
167.14352	10.8
171.11783	3.9
173.09547	3.9
173.13248	34.0
175.14842	15.1
179.14391	4.6
183.05072	3.1
189.12784	7.6
191.14326	100.0
201.10278	32.4
201.65067	3.6
207.13727	3.9
209.15393	21.7
219.11243	9.4
221.15448	3.3
288.87537	3.1
299.16486	4.7
317.17630	4.2
335.15891	10.6
335.19022	7.1
353.17068	47.5
353.20163	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.7
56.26314	4.5
56.60471	4.0
57.03434	6.1
57.07076	12.6
59.04990	4.8
60.13155	4.0
67.05502	12.7
69.03428	28.7
69.07074	22.9
69.66336	27.0
70.06586	15.9
71.01361	5.0
72.08146	11.9
79.05494	11.2
81.03422	6.9
81.07063	34.3
83.05003	11.4
83.08599	7.1
84.08155	13.6
85.02916	17.4
85.06543	10.1
86.09702	9.2
91.05495	12.3
93.07047	16.5
95.04996	5.0
95.08621	31.9
97.02927	15.6
97.06543	12.8
99.04498	5.0
99.08103	19.1
99.23779	4.1
105.01894	5.8
105.07029	14.7
107.04971	8.8
107.08607	50.2
109.06516	7.7
109.10149	10.1
111.08094	8.3
116.07122	10.0
117.07021	6.1
119.08605	21.0
120.08112	6.5
121.06507	7.3
121.10163	32.7
123.08073	18.1
123.11714	13.5
124.07655	5.9
127.03912	9.8
131.08585	12.9
133.10181	20.7
135.08069	18.3
135.11713	15.7
137.09639	12.3
137.13277	8.1
145.04982	7.8
145.10121	8.3
147.11667	25.6
149.09642	5.8
149.13237	28.9
155.14305	15.2
163.14877	10.2
173.13283	28.9
175.14859	17.1
191.14343	100.0
191.16212	8.1
209.15419	9.6
226.22380	4.4
230.12042	4.9
272.97440	3.9
299.30933	4.8
324.74570	3.9
353.06342	5.3
353.19531	29.0
353.24225	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	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05509	1.9
67.05512	3.7
69.03428	1.4
69.07056	2.5
70.06583	1.2
71.05000	0.8
71.48103	1.1
79.05492	4.0
81.03431	1.3
81.07064	5.5
83.04961	1.4
83.08617	1.7
85.02882	1.5
85.06527	0.6
88.57624	0.6
91.05497	3.8
93.07068	3.4
95.04971	1.4
95.08612	3.6
97.06545	1.3
97.10149	0.7
99.04405	0.7
103.05461	1.0
105.07013	3.7
107.04983	3.5
107.08624	3.0
109.06502	1.1
109.10146	2.3
110.95522	0.7
111.08118	0.8
119.08566	2.5
120.92167	0.6
121.06496	1.0
121.10124	2.9
123.11739	1.6
127.03882	0.7
131.08601	2.5
133.06537	0.9
133.10126	1.8
135.11688	1.6
145.10106	2.2
147.04417	0.7
147.11612	1.3
149.09575	0.6
149.13264	0.9
151.07439	0.7
157.08696	0.6
157.10175	0.9
161.13248	0.9
163.11217	1.6
163.14691	0.7
167.07039	1.3
169.10149	0.8
172.51227	0.7
175.41386	0.7
191.07007	0.9
199.07599	0.7
218.07161	0.6
225.88586	0.7
251.06993	0.9
261.22198	1.6
293.23099	1.1
306.08627	0.8
307.09729	0.8
321.11197	0.7
353.14282	3.6
353.22989	100.0
354.23395	3.0
356.99771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	5.0
54.70737	3.0
55.05504	12.8
57.03420	5.1
57.07064	8.0
61.94593	2.6
62.88338	2.9
63.65121	2.9
65.03926	4.8
67.05507	100.0
69.06722	3.1
69.07060	13.7
69.39581	26.5
70.98789	2.9
71.08623	6.6
76.39792	3.2
79.05071	4.7
79.05500	63.9
81.07059	100.0
83.08610	10.2
91.05486	30.4
93.07043	78.3
95.05016	3.7
95.08609	73.7
97.06554	4.7
98.21585	5.7
105.07037	22.6
107.08603	56.0
109.06499	4.4
109.10177	30.2
113.09618	4.9
117.07023	15.0
119.08557	15.2
121.09447	3.8
121.10166	36.8
123.11731	17.0
131.08580	27.3
133.10126	12.3
135.11687	27.7
137.13275	6.9
140.04010	3.3
145.10149	18.9
147.11707	9.2
149.13254	27.5
159.11696	12.8
161.13277	11.0
163.14844	20.0
173.13252	19.4
175.14871	5.1
177.16397	8.4
187.14844	13.4
191.14401	3.0
201.16405	4.3
233.22635	7.2
243.21085	38.3
261.22159	92.7
264.46606	2.9
296.58087	3.0
335.25687	7.1
349.32629	3.2
353.26776	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66601	2.1
53.03960	2.2
55.05517	13.8
57.03429	7.6
57.07064	5.7
58.14334	2.1
65.03926	3.1
67.05505	99.9
69.07082	12.9
69.07363	2.5
70.21959	10.2
71.04979	2.9
75.04459	3.0
76.74739	2.4
79.05492	49.8
81.03397	2.4
81.07055	100.0
83.08615	5.6
91.05473	22.8
93.06492	3.3
93.07050	54.4
94.01713	2.4
95.04961	4.1
95.08611	77.9
97.06518	3.9
97.10177	3.4
99.08106	3.5
105.07036	21.1
107.08605	37.6
109.10157	38.7
117.07017	8.9
119.08579	16.1
119.10848	3.1
121.10152	26.8
123.11718	19.7
131.08565	20.5
133.10161	15.4
134.56192	2.5
135.11699	25.1
137.13240	9.7
145.10124	14.4
147.11676	12.4
149.13255	19.7
151.11064	3.3
151.14771	3.5
158.74147	2.3
159.11716	11.1
161.13223	10.4
163.14906	13.5
163.16011	2.3
173.13286	13.3
175.14742	4.9
177.16466	3.2
187.14803	8.0
204.25943	2.5
233.22562	3.1
243.21123	25.0
257.08011	2.6
261.22147	86.1
279.23120	7.4
335.25906	9.1
353.26834	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.36576	1.4
52.46826	1.4
53.03945	3.3
55.05271	2.2
55.05512	26.5
55.37564	1.4
57.03443	17.6
57.07070	2.8
58.00018	1.2
65.03929	3.2
67.05505	89.8
69.07070	22.0
69.50006	9.9
71.04997	8.3
74.74187	1.4
76.91288	1.3
78.50952	1.5
79.05497	38.4
81.07059	100.0
82.23466	1.3
83.04962	3.3
83.08628	12.6
85.06533	5.5
91.05484	21.0
93.06491	2.3
93.07047	37.7
95.04970	3.1
95.08610	80.6
97.06519	5.8
97.10164	5.8
99.08099	2.2
99.53107	1.3
105.07031	13.4
107.08595	20.4
109.06519	2.5
109.10154	29.6
111.08115	2.3
117.07014	4.5
119.08578	11.6
121.10150	18.6
123.08057	2.4
123.11722	10.2
125.09708	1.6
128.68539	1.3
131.08560	5.0
133.10121	5.4
135.11696	8.9
137.13203	3.3
145.10075	6.7
147.11693	5.4
149.13271	6.3
151.11189	1.3
159.11679	3.6
161.13280	6.0
163.11212	2.2
163.14836	2.5
173.13214	3.5
175.14812	1.5
187.14787	2.4
197.93613	1.5
243.21129	3.0
261.22208	9.8
269.53571	1.6
279.22998	2.3
327.41620	1.8
335.25888	2.2
353.26895	42.7
357.29199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.19965	2.4
53.03941	4.3
55.05511	15.4
57.03442	4.6
57.07062	5.4
59.20739	1.7
59.51274	1.7
65.02121	2.0
67.05505	94.2
69.07069	13.7
69.95292	8.1
71.04978	2.4
76.00459	2.4
79.05495	43.3
81.07055	100.0
81.86121	2.2
83.08628	6.0
85.06529	3.0
91.05483	21.4
93.06493	4.0
93.07048	54.0
94.61723	1.9
95.08611	69.1
97.10169	2.7
105.07037	15.7
107.08598	35.2
109.10159	35.8
117.07021	9.0
119.08591	11.9
121.10143	27.0
122.13104	2.2
123.11694	20.1
131.08568	17.2
133.10165	12.6
135.11693	23.4
137.13246	7.8
145.10156	15.0
147.11682	9.0
149.13243	16.7
151.14772	3.3
159.11719	7.7
161.13272	7.5
163.14793	11.5
173.13286	12.0
175.14870	3.1
177.16397	4.6
179.14325	2.6
187.14758	10.4
201.16313	2.8
233.22835	2.8
243.21080	21.0
261.22141	77.4
279.23123	4.4
335.25870	7.0
353.26877	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
55.05518	15.1
57.03446	4.4
57.07085	5.4
57.16478	2.4
65.03947	2.7
67.05509	100.0
69.07072	14.1
69.99940	11.6
76.33970	2.3
78.03669	2.5
78.62301	2.8
79.05074	4.4
79.05500	56.3
81.07062	97.7
83.08609	8.9
85.06615	2.6
91.05479	27.7
93.07051	73.9
95.04973	2.3
95.08613	74.2
95.77361	2.3
97.06561	3.9
97.10172	3.8
105.07047	20.1
107.08601	43.4
109.10168	42.7
117.07044	11.9
119.08589	20.4
121.10154	30.9
123.11712	17.4
131.08601	21.7
133.10149	16.5
135.11690	34.3
137.13258	7.4
145.10152	21.3
147.11710	11.3
149.13257	23.6
159.11650	13.2
161.13318	13.0
163.14836	13.8
165.12791	2.6
173.13266	18.2
175.14801	4.2
177.16425	4.5
187.14803	10.7
191.14380	2.6
225.31169	3.0
233.22575	3.3
243.21111	27.1
251.84987	2.6
261.22171	98.0
279.23309	3.7
323.95444	2.5
335.25928	5.3
337.01297	2.7
353.26956	24.5
357.66357	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	15.6
57.03424	4.4
57.07075	8.7
67.05510	96.6
69.07062	14.3
69.95305	8.7
69.95702	7.2
79.05501	53.5
81.07063	100.0
83.04983	3.3
83.08636	7.0
91.05479	24.5
93.07052	62.3
95.08616	74.5
97.10158	5.9
105.07040	22.9
107.08596	42.0
109.06458	3.6
109.10158	33.7
113.09635	4.1
117.07019	13.6
119.08591	8.9
121.10143	28.3
123.11756	17.0
131.08571	25.5
133.10132	10.1
135.11725	23.3
137.13271	8.6
145.10136	13.2
147.11685	8.1
149.13281	25.4
151.14774	4.2
159.11749	16.0
161.13287	9.6
163.14862	18.6
173.13263	21.7
177.12704	3.4
177.16388	7.5
187.14894	13.2
229.23891	3.2
233.22697	4.1
243.21066	30.6
261.22159	78.0
261.36050	3.4
263.23816	3.5
330.55621	3.2
335.25952	7.8
337.94150	4.0
353.26935	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.62697	1.4
53.03949	3.0
54.46324	1.3
55.05511	13.2
57.03425	6.0
57.07074	4.5
65.03933	2.0
67.05508	86.5
69.07077	11.4
69.24947	3.6
69.25368	11.4
69.25675	2.0
71.04974	2.8
71.80903	1.6
77.03925	1.6
79.05495	36.7
81.07062	94.8
83.08618	6.0
85.06549	2.3
91.05488	20.6
93.07048	49.0
94.07455	1.8
95.04955	3.3
95.08614	69.5
97.06511	3.3
97.10164	4.1
105.07029	16.7
107.08607	32.8
109.06460	1.9
109.10166	38.0
111.08075	2.6
117.07016	7.2
119.08598	16.0
121.09338	2.6
121.10144	31.5
123.08042	2.5
123.11720	23.7
131.08578	22.5
133.10136	12.6
135.11703	22.9
137.09544	1.9
137.13208	6.0
144.64421	1.6
145.10147	13.1
147.11717	9.3
149.13272	20.4
151.14842	2.7
153.12735	2.2
159.11725	15.6
161.12186	1.6
161.13245	9.4
163.14851	14.0
173.13309	16.7
175.14819	4.1
177.16399	4.5
187.14810	9.9
201.16354	2.6
210.35416	1.9
215.17854	1.7
219.17516	2.0
233.22606	4.0
243.21123	20.9
261.22150	100.0
279.23203	7.6
303.28540	1.6
335.25861	12.1
353.26849	22.7
355.24072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93060	2.2
53.03942	4.1
55.05507	11.1
57.03422	6.1
57.07085	4.1
67.05509	100.0
69.07071	10.1
69.25083	4.7
69.25407	20.6
71.04978	5.2
79.05021	3.1
79.05494	52.6
81.07058	94.0
83.08618	6.5
85.06561	3.3
91.05482	27.8
93.07043	61.7
95.04989	2.8
95.08617	70.7
97.06532	2.6
97.10204	3.1
99.08115	2.7
105.07027	18.7
105.17944	2.5
107.08597	39.2
109.10165	32.1
117.07034	10.3
119.08613	14.7
121.10155	31.8
123.11707	21.3
131.08582	22.1
133.10123	13.9
135.11696	23.2
137.13329	5.2
145.10141	15.8
147.11673	10.1
149.13242	18.8
151.14816	2.9
159.11731	14.2
161.13287	9.2
163.14824	16.4
173.13297	15.1
175.14896	2.7
177.16423	4.5
182.04704	2.5
187.14894	10.1
201.16380	3.2
206.52936	2.2
233.22720	6.0
243.21129	22.1
247.73431	2.5
261.22153	78.8
279.23083	3.9
298.50455	3.3
316.41898	2.5
335.25919	4.2
353.26901	23.3
363.27148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05519	12.6
57.03433	4.5
57.07061	4.9
65.03918	2.7
67.05503	62.9
69.07058	7.2
69.80853	10.7
69.81230	2.1
71.04997	3.2
71.08624	2.3
72.06411	1.8
76.06731	1.9
79.05492	32.5
81.07055	77.7
81.07537	4.1
83.08611	6.4
86.61845	2.1
91.05451	12.4
93.07043	37.5
95.04957	2.6
95.08612	67.0
96.89944	2.4
99.08081	2.5
105.07033	8.8
107.08596	23.9
109.10152	30.0
117.07016	5.9
119.08576	9.4
121.10139	24.7
123.11711	19.5
125.09629	2.2
131.08549	15.3
133.10185	10.2
135.11687	22.7
137.13248	9.4
145.10144	13.2
147.11731	11.0
149.13266	16.8
151.14824	2.7
153.12779	2.5
159.11644	10.8
161.13246	4.6
163.14833	15.1
173.13277	14.4
175.14804	4.7
177.16354	4.7
187.14807	6.7
209.15167	2.1
233.22632	4.4
243.21066	27.2
261.22134	100.0
279.23068	7.6
335.25836	13.2
353.26999	20.0
378.42474	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.05514	14.7
57.03424	4.8
57.07066	6.9
65.33837	2.0
67.05507	100.0
69.07063	15.3
70.73734	4.7
71.04987	3.2
71.08650	2.7
73.56160	1.9
79.05495	50.9
81.07059	97.5
83.08608	8.1
91.05484	24.6
91.34061	1.9
91.76090	2.0
93.07043	63.5
95.08610	66.8
96.03175	1.9
97.06509	3.0
97.10156	3.9
105.04462	2.0
105.07018	18.8
107.07880	2.9
107.08591	39.9
109.09476	3.7
109.10158	42.3
110.55006	1.9
111.08121	2.3
117.07009	10.9
119.07034	1.7
119.08585	15.2
121.10150	38.5
123.11733	20.2
123.45346	2.0
131.08583	20.0
133.10146	15.3
135.11699	33.2
137.13225	8.0
139.11197	2.7
145.10092	11.8
147.11685	11.8
149.13283	22.4
159.11702	14.8
161.13272	12.6
163.14827	11.2
165.12666	3.1
173.13298	16.3
175.14848	4.9
177.16368	5.1
179.14377	2.5
187.14867	10.8
198.26102	2.0
201.16386	3.6
233.22676	4.6
243.21103	21.0
261.22141	92.8
279.23257	5.1
306.27011	2.3
314.69485	2.2
335.25723	6.1
353.26880	22.9
364.06158	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.0
55.01865	2.7
55.05511	16.8
57.03431	6.2
57.07074	3.6
58.92373	1.4
61.21476	1.7
65.03945	3.7
67.05506	100.0
69.03468	1.7
69.07066	12.8
71.05001	3.5
71.48450	2.7
79.05026	2.0
79.05493	47.5
81.07058	92.9
82.07359	1.9
83.04964	3.1
83.08624	7.2
83.61896	1.4
84.48724	1.5
85.06573	2.8
87.46041	1.5
89.68703	1.4
91.05486	21.9
93.07047	56.5
95.04980	4.2
95.08607	72.3
95.24680	1.5
96.08932	2.1
96.40495	1.6
96.72641	1.5
97.06518	8.1
97.10149	3.7
99.08070	2.9
105.07034	19.2
106.26988	1.5
107.08598	37.8
107.80199	1.4
109.06488	2.5
109.10163	35.0
117.07006	8.1
119.08569	14.2
121.09328	2.4
121.10154	27.3
123.11707	19.9
125.09613	2.4
125.11133	1.4
126.36729	1.6
131.08578	19.6
133.10115	14.7
135.08057	1.8
135.11687	22.5
137.09613	2.3
137.13289	8.3
145.10124	13.0
147.11688	12.5
149.09593	1.8
149.13283	20.9
150.36711	1.9
151.14815	3.0
159.11670	12.4
161.13217	7.7
163.11168	1.9
163.14850	11.4
165.12837	2.0
173.13234	16.3
175.14825	2.6
177.12753	2.4
177.16475	2.8
187.14838	6.7
189.09186	2.0
189.16385	2.1
191.14357	4.3
201.16406	2.0
218.60831	1.7
229.08665	3.2
233.22783	2.4
239.06914	2.2
243.21097	21.3
257.08139	5.3
261.22144	86.8
277.21710	2.0
279.23267	7.6
321.87900	1.5
335.25754	6.0
353.13779	3.1
353.27042	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	6.4
55.01874	2.4
55.05516	17.0
57.03430	5.3
57.07063	5.9
65.03937	3.8
67.05508	96.1
69.07074	14.5
69.74744	9.2
71.08627	4.1
72.28040	1.9
79.05498	65.7
80.05811	3.6
81.07063	100.0
83.04930	2.3
83.08621	12.0
85.06548	4.6
85.10182	2.3
91.05482	32.3
93.07047	76.4
95.04967	4.3
95.08611	78.9
97.06526	5.1
97.10159	3.3
99.08126	5.0
105.07034	27.5
107.08598	41.5
109.06433	2.2
109.10156	37.4
111.08066	3.0
113.09631	5.2
117.07021	9.6
119.08583	16.6
121.10142	38.1
123.08059	3.1
123.11739	15.1
131.08572	24.3
133.10133	16.3
135.11697	31.7
137.13243	9.0
144.24577	2.5
145.10120	20.8
147.11708	10.8
149.09604	2.3
149.13278	22.7
151.14810	5.2
159.11732	17.8
161.13284	16.1
163.14867	21.3
173.13266	18.4
175.14812	5.9
177.16377	7.2
179.14272	2.2
186.18108	2.6
187.14812	9.3
191.14383	3.2
201.16357	3.4
205.15886	4.0
233.22607	10.0
243.21129	33.8
261.22156	87.2
279.23300	3.6
309.11346	2.9
321.10773	2.3
335.25934	11.5
353.14294	10.8
353.26468	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.12218	2.4
55.05515	14.4
57.03413	5.7
57.07079	6.4
67.05508	90.0
69.07063	12.4
70.66516	2.9
70.66861	7.2
79.05499	36.9
81.07056	100.0
83.08616	10.4
85.06544	3.0
91.05479	20.6
93.07050	44.9
95.04990	3.2
95.08614	73.0
97.10158	3.6
105.07024	16.0
106.44396	2.6
107.08598	34.9
109.10165	37.2
117.07018	8.8
119.08597	15.1
121.10146	27.0
123.11724	21.4
129.60374	2.8
131.08560	20.7
133.10130	10.1
135.11682	23.9
137.13275	5.0
141.87781	3.0
145.10130	17.4
147.11679	9.8
149.13266	18.2
155.87895	2.7
159.11646	18.0
161.13231	9.4
163.14850	9.5
173.13287	18.3
175.14786	3.1
182.03333	2.7
187.14793	6.5
243.21136	17.5
261.22131	90.3
279.23206	6.2
283.20990	2.8
284.29465	6.2
335.25903	8.4
353.26764	18.4
353.31168	2.5
354.37259	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.81083	1.7
53.03936	4.9
55.05521	15.5
55.64223	1.6
57.03426	6.4
57.07067	3.7
62.13794	1.9
65.03950	3.8
67.05511	96.1
69.07074	13.5
69.43660	9.2
69.44086	4.6
71.04989	2.4
71.08619	3.0
71.31881	2.0
79.05500	44.3
81.07061	100.0
83.08617	9.3
85.06579	2.1
88.26634	2.3
91.05476	22.9
93.06487	3.6
93.07050	54.1
95.04936	2.9
95.08614	71.3
97.06524	3.8
97.10178	2.3
98.20766	3.4
105.07052	15.8
107.08604	36.5
109.06524	2.5
109.10169	40.4
117.07043	8.7
119.08580	14.0
121.10155	34.6
123.11717	22.0
123.43966	1.9
130.51180	1.7
131.08588	21.4
133.10123	13.6
135.11699	28.4
137.09665	3.1
137.13243	7.4
140.62813	1.9
145.10149	19.7
147.11739	10.7
149.13245	27.4
151.14810	2.6
159.11708	14.2
161.13245	10.6
163.14833	14.3
165.12793	2.0
173.13246	15.7
175.14816	4.0
177.16365	5.2
187.14813	8.8
191.14386	2.0
201.16443	3.5
205.15871	2.6
218.82625	1.8
233.22575	2.5
243.21065	19.9
261.22171	94.4
279.23157	7.3
305.79059	1.7
335.25861	12.6
353.14584	3.4
353.26904	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	353.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47022	0.9
53.03930	2.4
55.01873	1.9
55.05517	52.5
57.03445	22.7
57.07084	23.7
65.03955	1.8
67.05510	49.1
69.03401	1.0
69.07075	62.8
71.04997	3.0
71.08633	13.1
71.49019	1.3
73.06586	1.2
79.05504	23.8
79.05972	1.3
81.07063	54.5
83.04992	2.3
83.08625	43.2
85.06535	2.6
85.10179	6.4
89.48943	1.2
91.05490	7.4
93.06594	0.7
93.07050	31.2
95.07996	2.4
95.08614	50.4
97.06534	7.0
97.10173	24.4
99.08096	2.5
105.07043	7.1
107.08604	20.0
109.06522	1.5
109.10159	24.7
111.08089	4.1
111.11730	8.0
113.09699	1.8
117.07001	1.4
119.08579	4.7
121.10156	23.7
123.11703	11.3
125.09650	3.5
125.13303	1.2
131.08603	6.2
133.10155	3.8
135.11705	19.2
137.13271	3.7
139.11174	2.5
145.10175	3.2
147.11700	1.7
149.13277	12.4
151.11192	1.0
153.12773	2.7
159.11729	4.2
161.13229	2.0
163.14818	6.2
165.12798	1.3
165.16412	2.0
167.14316	1.3
173.13284	4.4
175.14977	1.2
177.16316	2.1
187.14819	1.7
191.18074	1.5
193.05090	1.9
194.36378	1.2
201.16365	1.2
205.19516	1.5
233.22580	1.4
243.21146	3.8
261.22214	16.7
261.25775	6.1
279.26834	12.5
291.23254	5.5
335.25903	1.4
353.30566	100.0
354.30853	3.1
369.73154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.10915	0.3
53.03937	0.6
57.03447	0.7
57.70059	0.3
61.02917	0.6
67.05495	0.9
69.03415	1.4
70.06568	0.4
70.99808	0.6
72.08141	0.7
73.02915	0.4
75.45596	0.3
77.03933	0.6
81.03416	0.9
84.08133	0.6
85.02904	2.9
86.09647	0.4
87.04459	0.4
91.05473	2.3
94.06565	3.6
95.04929	0.4
97.02842	0.7
105.03365	0.4
109.02895	0.4
115.03285	0.3
115.07596	0.4
117.05762	0.8
118.06547	6.5
119.27525	0.3
120.08138	0.7
122.06039	4.3
127.03922	0.5
131.03671	0.5
134.06009	1.1
136.07564	0.4
145.05003	0.5
146.06009	19.2
147.06805	0.7
148.07539	0.3
150.05524	1.1
160.16553	0.3
162.05542	0.9
164.07083	7.6
174.05513	100.0
175.06006	1.2
176.07065	0.9
192.06561	52.0
192.74812	0.3
193.06923	0.7
213.78206	0.3
292.06131	0.3
336.10812	1.2
354.11847	44.8
355.12350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01867	7.0
55.41222	1.5
57.03433	5.0
57.64700	1.5
61.02927	3.4
68.99792	2.5
69.03433	39.2
69.07062	1.6
69.24173	12.2
71.04998	4.2
71.08638	2.1
73.02917	4.8
81.03416	20.8
83.01350	2.1
84.08133	2.4
85.02910	100.0
87.00316	2.8
87.00838	49.2
97.02904	32.7
98.21486	2.5
99.04482	12.2
105.01871	72.8
107.04965	8.0
108.04510	2.1
109.02880	28.7
115.03931	1.9
120.08170	1.9
126.05526	2.0
127.03924	71.2
129.01842	3.4
145.03931	2.8
145.04974	33.1
147.02838	2.1
153.90057	1.8
159.02892	13.4
160.58446	1.5
167.07079	9.1
168.07391	4.4
186.74530	1.6
189.03983	3.0
191.07060	6.6
192.07358	5.7
199.07533	1.8
200.07855	2.7
203.96313	1.6
211.92358	1.7
219.07770	2.5
231.04984	20.5
234.09981	2.1
247.07094	2.6
248.07776	2.5
249.06058	5.3
261.09009	1.8
262.09390	5.9
279.09689	3.1
290.08908	3.9
307.09314	3.1
322.11588	11.7
328.10629	1.5
354.14114	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	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.2
55.01885	10.6
55.05507	2.1
57.03435	7.5
57.77833	1.9
61.02929	7.2
67.05490	2.4
68.99809	3.5
69.03437	37.9
69.07069	4.9
70.06593	7.1
70.41111	3.7
70.41478	7.0
71.05000	6.7
72.08143	2.2
73.02921	4.4
81.03433	22.9
84.08158	15.1
85.02911	100.0
86.03286	2.2
86.09716	6.8
87.00842	50.5
91.03959	2.9
93.07023	3.4
97.02898	37.7
98.09650	3.4
99.04475	18.0
105.01874	74.7
107.04962	12.7
108.05288	2.4
109.02891	29.4
115.03912	2.7
115.07511	2.3
117.01847	2.6
120.08173	4.2
123.04435	6.8
127.03930	70.2
129.01849	2.8
131.04926	5.6
145.04971	29.4
147.02940	3.2
157.08624	4.3
159.02895	8.0
189.03903	5.9
192.04799	5.4
192.14645	3.8
210.14948	2.5
231.05049	21.5
238.23126	2.2
249.06068	6.2
354.13913	2.9
359.19562	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83284	2.4
55.01871	3.7
55.05502	9.1
57.03433	6.1
61.26898	2.3
62.06093	100.0
67.05508	26.6
69.07076	13.9
70.06585	3.1
71.04983	4.8
71.48280	3.8
71.57064	2.8
78.12649	2.1
79.05492	13.9
81.03416	4.8
81.07059	26.8
82.97297	2.7
83.08598	7.1
85.06527	2.5
85.33672	2.2
88.42732	2.7
91.05479	22.7
92.05848	3.2
93.07031	15.2
95.04958	7.3
95.08615	21.1
95.85902	2.2
97.06517	7.2
98.06056	6.6
105.07055	17.2
107.04945	5.3
107.08578	9.2
109.06519	17.0
109.10155	6.7
111.08097	2.8
117.07051	3.0
119.08568	11.7
121.06501	3.5
121.10141	8.9
123.08069	5.8
123.11716	2.4
131.08546	9.7
133.10097	8.2
135.11681	3.7
137.05934	4.8
137.09639	4.1
145.10141	5.9
147.11687	6.9
149.09651	2.8
159.11699	4.8
161.13174	2.6
161.62723	2.3
163.11269	4.2
170.32498	3.3
171.11690	2.6
173.13268	3.6
189.12793	3.1
207.13852	2.5
208.16791	2.6
232.39154	2.6
240.19380	3.4
250.09480	3.0
250.18140	11.9
258.08694	2.8
262.22168	2.8
266.21033	3.6
268.19022	14.3
275.20102	4.6
286.20154	5.4
293.11417	3.6
294.24225	5.3
310.11905	11.4
311.12701	6.8
318.24316	38.2
336.25360	19.3
354.14719	35.5
354.26376	35.7
355.15262	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	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.01865	9.2
55.05513	8.7
57.03427	3.7
57.07063	3.8
61.52954	2.4
63.64680	2.3
65.03934	3.9
67.05511	17.5
67.53539	2.4
69.03434	7.7
69.07061	11.9
70.06561	3.5
71.04987	11.6
71.48542	5.5
72.54562	2.6
73.04739	3.1
79.05500	35.4
80.46479	2.7
81.03419	6.6
81.07047	22.7
83.04994	19.3
83.08620	3.6
85.06550	3.2
86.09701	3.4
89.13152	3.2
91.05482	42.2
93.07046	50.4
95.04967	20.9
95.08614	15.2
97.02890	4.5
97.06544	16.5
98.97588	6.3
99.04456	16.6
100.05468	2.4
103.05473	9.5
105.07037	94.8
107.04958	28.7
107.08592	31.4
109.06522	32.2
109.10147	9.8
111.04446	7.5
111.08093	3.6
115.05460	8.3
117.07019	20.7
119.04929	7.5
119.08579	20.5
121.06504	34.7
121.10149	5.8
123.04474	6.6
123.08079	3.2
123.11711	4.5
125.05983	13.2
128.06261	5.4
129.06995	12.3
130.07794	8.3
131.04900	16.2
131.08607	27.4
133.06470	21.7
133.10164	13.1
135.04355	3.5
135.08069	18.4
135.11697	4.5
137.05960	24.2
137.09605	6.4
141.06967	7.0
143.07066	5.2
143.08551	16.5
144.09384	4.6
145.06473	16.7
145.10130	90.1
147.04384	4.7
147.08069	11.9
147.11705	8.5
149.05965	9.2
151.07556	12.2
154.07785	7.4
155.08563	12.0
157.06487	3.7
157.10170	5.7
158.07297	17.2
159.04471	3.2
159.08064	13.4
159.11688	45.2
161.06039	6.4
161.09627	9.6
163.07509	3.3
167.07080	5.4
169.10123	16.7
171.08182	5.0
171.11705	3.7
172.08842	7.0
173.08104	5.0
173.09630	100.0
173.40230	2.7
174.10078	3.5
175.07545	12.8
177.12790	4.2
179.08572	7.1
181.06522	3.7
182.07191	4.5
187.11194	62.9
189.09207	3.5
189.12828	3.8
191.10632	25.7
193.04948	4.1
193.08644	7.2
193.12314	3.5
197.09653	14.2
199.14806	2.8
201.05476	10.3
205.12231	32.8
215.10674	63.6
223.07672	2.9
233.11729	47.0
234.06630	3.2
235.07562	4.2
237.09120	6.2
250.06224	2.4
251.12857	19.5
261.09244	3.1
263.06775	3.7
265.08704	3.3
267.10181	3.9
273.80905	2.7
279.06665	2.8
291.10443	2.9
295.09708	3.1
309.11304	4.2
311.12781	9.4
323.09171	11.3
325.10648	8.7
337.10599	4.4
337.14264	3.8
355.11789	19.7
355.15427	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	355.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
55.05516	1.1
55.84115	0.8
67.05493	1.1
69.03421	0.9
69.07072	1.0
70.06589	1.7
70.60006	2.0
70.60359	0.8
73.04741	1.1
78.04702	2.1
79.05495	4.7
81.03427	1.5
81.07047	2.7
83.04987	1.3
84.08157	1.3
85.02899	1.1
91.05471	8.3
93.07050	2.0
95.04965	2.1
95.08611	1.7
103.05466	2.8
104.06245	1.7
105.07037	8.7
106.04177	1.5
107.04970	7.5
107.08585	1.7
109.06537	1.1
109.10126	1.7
115.05464	9.0
117.07028	6.8
118.04176	1.0
119.08578	7.6
121.10090	1.0
123.04437	4.6
124.05208	1.4
128.06232	3.7
129.07011	6.2
130.04129	0.9
131.04922	2.8
131.08582	0.8
132.05730	5.7
133.06506	7.5
133.10126	0.8
135.07994	0.8
137.05952	2.6
137.09637	1.1
141.06996	14.6
145.06473	3.3
147.04385	0.9
147.06967	1.5
147.08061	20.5
147.11684	1.0
149.06021	1.5
149.09576	0.8
151.03944	1.4
152.04642	1.2
157.06476	1.7
158.07268	1.9
159.08118	1.1
160.05226	4.9
161.06009	10.9
167.07048	54.2
169.05070	1.1
169.06497	22.0
170.07222	1.0
173.06032	1.0
173.09631	1.6
175.07553	100.0
176.04785	0.9
176.07877	2.2
179.08466	0.9
186.06836	2.6
187.07532	2.3
189.09113	3.6
191.06989	4.1
193.04965	1.4
193.08627	27.3
199.07542	3.5
201.05479	1.7
201.09158	6.7
203.08636	1.2
219.08011	1.9
224.08151	1.0
225.10205	1.2
231.08096	1.3
248.08260	0.9
249.09048	1.2
251.07286	0.8
253.09660	2.8
263.10727	1.4
265.08597	2.2
276.07486	0.9
279.06506	0.8
281.09232	5.6
291.10181	1.5
295.09537	1.1
309.08673	6.7
311.09872	1.1
323.09137	5.7
323.12488	2.3
325.10712	3.2
355.08447	2.0
355.11737	1.7
355.15366	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05508	2.1
56.05035	1.1
57.07067	0.6
60.04562	0.5
61.18817	0.6
67.05496	2.2
69.03423	1.4
69.07068	2.3
70.06597	10.9
70.78371	0.5
71.05010	0.6
71.48255	0.9
72.08150	2.1
73.04758	1.1
79.05502	2.7
81.03409	1.0
81.07034	2.8
82.06580	1.8
84.08147	100.0
85.02912	1.7
85.08476	0.7
86.09707	5.9
87.00848	0.8
90.03977	0.6
91.05438	1.4
93.07042	2.9
94.06591	1.0
95.04971	2.4
95.08623	2.1
96.08144	5.8
97.02886	0.7
97.06531	0.6
98.09699	26.7
105.03381	0.8
105.07037	2.1
107.04962	61.6
107.08595	2.0
108.05299	0.8
109.06500	0.7
109.10159	1.4
110.07153	1.7
111.04494	0.5
111.08097	0.8
112.11252	1.7
115.05475	1.2
119.04947	1.2
119.08563	2.1
121.06519	0.6
121.10165	1.5
123.04433	66.4
123.11735	0.8
125.09776	0.9
125.10734	5.1
127.03918	1.5
127.12325	1.4
129.06995	1.0
129.10284	0.8
133.06525	1.3
133.10083	0.7
136.07587	2.1
137.05998	2.6
137.09674	0.8
138.09167	1.4
139.11183	0.7
141.07027	1.1
143.11839	1.1
145.10136	0.8
147.04514	0.7
147.08110	1.9
149.09607	0.6
150.09163	1.0
152.07095	1.8
156.07686	0.9
159.11514	0.7
160.10278	0.5
161.05994	1.3
164.07104	4.3
167.07043	4.5
169.06520	0.8
173.05879	0.5
173.09677	0.8
175.07538	7.0
175.11304	0.6
176.10767	1.8
190.12366	1.2
192.10205	1.5
193.04962	0.9
193.07045	0.6
193.08656	2.5
197.13026	0.7
201.05563	1.8
201.09225	1.1
206.07426	0.6
231.14919	1.3
232.15683	1.1
233.16518	10.9
235.07680	0.7
247.14372	1.4
248.15227	0.8
249.15988	9.7
249.18263	0.8
258.11316	3.0
265.08694	0.8
277.08829	0.6
285.01007	1.0
320.11337	0.8
323.09265	2.4
338.19473	0.8
355.11697	1.2
355.17059	8.8
355.20300	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	355.2015
Annotation	(+)-Vomalidine
Peak:m/z	Relative Intensity
53.03947	1.0
55.05516	1.2
62.33366	0.4
67.05515	0.9
69.07056	0.8
70.06591	1.9
71.44032	0.9
72.08141	1.3
73.74014	0.5
75.52048	0.5
77.03925	0.6
79.05499	1.3
81.07082	0.8
82.06581	1.0
84.08144	100.0
85.08483	0.9
86.09702	3.4
93.07036	0.6
95.04973	1.3
96.08122	5.2
98.09695	25.4
100.70089	0.5
105.07039	0.6
107.04957	69.4
112.11259	1.0
121.10120	0.6
123.04430	61.2
124.04790	0.6
125.10753	5.1
127.12341	0.7
129.10172	0.4
136.07576	2.5
137.06046	0.6
143.11748	1.4
146.15146	0.6
152.07082	1.8
166.08667	0.7
167.07043	0.9
171.11345	1.1
175.07579	1.9
176.10764	1.5
178.08592	0.5
190.12245	1.1
192.10252	0.7
193.08693	0.7
201.05518	0.6
204.14050	0.7
206.11800	1.0
231.14954	1.2
232.15773	1.7
233.16472	10.6
242.14941	0.8
247.14493	1.1
248.15157	1.6
249.16010	12.2
258.11258	3.4
296.21918	0.4
296.85858	0.5
355.20166	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58802	4.1
53.03944	6.3
55.01846	5.1
55.05501	19.0
67.05492	26.8
69.03423	12.2
69.07059	21.4
70.06581	15.1
71.04980	9.1
71.48818	7.9
72.08143	5.7
73.04743	8.3
79.05148	3.8
79.05499	39.7
79.18559	4.1
81.03428	6.9
81.07060	49.7
83.04974	10.2
84.08139	6.9
85.06561	6.5
86.09684	4.1
91.05455	35.0
93.06490	8.8
93.07046	99.1
95.04963	18.6
95.08611	46.1
97.06514	14.2
105.07053	25.8
107.04958	49.8
107.08585	37.8
108.05277	12.2
109.06506	19.5
109.10160	31.4
111.04453	12.8
111.08080	10.7
117.07009	14.9
119.08574	53.5
121.06505	6.6
121.10139	100.0
123.08061	7.6
123.11676	13.1
125.09624	12.0
129.06966	6.1
131.04933	6.6
131.08568	13.3
133.06493	4.5
133.10118	21.5
133.11029	4.6
135.08038	7.5
135.11688	22.2
137.05992	34.4
137.09615	24.5
139.11156	16.9
141.07024	6.7
143.08551	8.6
145.06503	4.8
145.10130	29.9
145.38063	4.2
147.08023	7.7
147.11693	10.7
149.09634	5.9
151.07497	5.5
151.11191	11.9
153.12801	10.9
157.10126	10.7
159.11629	13.1
161.13196	6.8
162.29416	4.6
163.11165	12.1
167.07048	12.0
169.06494	6.2
171.11760	6.5
173.13228	9.7
175.07584	22.3
175.08885	4.0
175.11096	5.1
181.12236	16.4
185.13223	7.5
187.11133	5.8
191.10628	6.3
193.08551	7.8
195.08041	6.1
197.13318	9.2
201.05469	15.8
215.10687	4.4
215.14415	5.6
233.11641	4.8
235.16995	5.2
241.08623	5.1
245.11903	4.1
249.09210	4.9
256.05621	4.4
277.08667	6.5
281.09082	6.1
301.21533	11.7
307.22769	9.3
309.08514	6.9
319.22607	12.5
323.09229	5.9
337.23685	11.1
355.07928	5.3
355.11774	11.2
355.15509	14.2
369.38794	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01844	3.9
55.05509	37.6
57.03439	5.3
57.07064	12.4
63.00640	3.8
67.05506	100.0
68.78986	3.6
69.07076	45.5
70.09135	4.0
71.08620	5.9
79.05492	30.2
81.06590	7.7
81.07056	99.1
83.08627	32.0
85.06516	3.9
91.05509	19.9
93.07045	35.2
94.42783	3.9
95.08609	80.4
97.06521	11.3
97.10168	23.7
98.20725	11.9
105.07027	17.6
107.08569	22.8
109.09592	4.6
109.10172	50.6
111.08098	6.1
119.08567	16.5
121.10162	35.8
123.11694	28.2
128.59351	4.8
133.10165	22.1
135.11684	12.7
137.13258	8.2
147.11674	20.0
149.13254	16.6
151.14853	4.9
161.13254	16.7
163.14821	15.8
165.16399	5.2
174.50838	4.2
175.14841	7.3
177.16484	4.8
179.17964	8.0
189.16377	7.8
226.02177	3.8
245.22701	53.6
263.23672	49.5
337.27475	29.4
352.25574	3.9
355.28366	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03930	3.9
55.05293	3.5
55.05508	34.5
57.03438	9.9
57.07067	12.9
62.31672	3.9
64.70553	3.4
66.30978	3.4
67.05508	78.0
69.07065	53.5
70.09326	19.4
70.09641	4.0
71.08617	6.7
79.05488	24.5
81.07054	100.0
83.04938	4.6
83.08635	28.8
85.10163	4.3
91.05481	23.8
93.07055	29.2
95.08611	75.4
97.06532	9.8
97.10182	22.8
99.08076	4.7
105.07012	17.8
107.08628	21.0
109.09588	4.2
109.10166	44.1
111.11719	9.1
119.08562	12.6
121.10144	29.3
123.11677	22.1
125.13248	4.1
133.10121	18.2
135.11711	13.6
137.13243	12.8
147.11696	11.8
149.13248	12.4
151.11191	3.9
151.14819	10.0
161.13248	16.9
163.14833	12.3
165.16327	6.9
175.14835	9.9
189.16347	9.9
229.54280	4.0
245.22627	53.2
263.23688	47.1
302.60480	4.1
337.27399	29.3
345.53885	4.1
355.28464	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.50925	4.7
55.05505	33.5
57.03427	12.9
57.07066	7.7
67.05505	72.7
69.07072	41.7
71.08631	7.5
71.33999	4.5
71.34344	4.5
71.75530	3.9
72.06602	4.4
79.05504	30.3
80.71976	4.8
81.06599	6.1
81.07054	100.0
82.07382	4.0
83.08630	30.6
85.06538	4.3
90.25420	4.0
91.05456	14.5
93.07043	30.0
95.08603	82.6
97.06518	8.7
97.10156	14.0
105.07021	16.9
107.08621	22.0
108.03287	4.3
109.10163	38.4
111.08055	7.7
111.80499	5.5
119.08563	15.6
121.09373	4.7
121.10133	30.4
123.11707	21.5
132.30414	4.2
133.10155	20.2
135.11656	22.6
137.13254	4.8
142.68271	4.4
147.11678	16.2
149.13255	16.0
151.14830	7.4
161.13231	15.2
163.14758	12.3
165.16272	6.1
175.14760	12.3
179.17899	4.7
189.16405	6.2
245.22638	52.5
263.23666	53.8
263.26291	5.9
299.15872	4.8
299.19186	4.7
337.27460	27.9
355.28293	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	27.3
57.03418	11.9
57.07085	30.7
58.84653	4.2
67.05510	64.6
69.07078	34.4
69.26672	32.6
69.27080	6.2
71.08623	16.4
73.04745	4.2
79.05083	4.2
79.05486	26.6
79.91970	5.2
81.07056	82.2
83.08640	25.8
85.10197	7.1
89.68986	4.3
91.05461	9.4
93.07040	30.2
95.08616	74.3
97.06534	9.8
97.10142	20.9
105.07006	19.2
107.08580	24.8
109.10175	31.6
111.11691	7.9
117.53842	4.7
119.08570	15.0
119.12156	4.9
121.02975	4.6
121.10157	27.1
121.61137	4.3
123.11704	23.7
132.45543	4.5
133.10139	20.8
135.11711	15.9
137.13266	6.2
145.10205	4.1
147.11671	13.6
149.13278	14.1
151.14870	5.6
157.10080	4.2
159.11563	4.7
161.13300	10.6
163.14830	12.9
165.16270	6.0
175.14833	7.7
189.16380	6.3
195.31842	4.6
201.68297	4.1
245.22632	39.2
263.23709	44.0
299.17789	5.7
337.27356	20.1
355.24185	10.2
355.28177	100.0
355.32089	24.6
356.29044	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	28.8
55.20170	4.0
55.95596	4.0
57.07065	7.6
67.05504	50.5
69.07069	30.9
70.06596	12.7
71.21729	8.4
73.04761	8.6
79.05494	21.3
81.07058	62.0
83.08621	19.4
83.48513	4.2
84.08107	4.3
84.82776	4.7
85.06514	3.8
88.07629	12.5
89.07944	4.9
91.05400	8.8
91.05860	6.3
93.07044	31.3
95.08609	51.4
96.08990	6.8
97.06559	9.6
97.10174	9.7
97.51896	4.2
105.07024	15.9
106.03074	4.1
106.08681	6.2
107.08590	18.5
108.30520	4.6
109.10126	25.8
116.03498	6.2
119.08589	12.6
121.10151	20.7
123.11720	12.6
131.08542	5.2
133.10110	17.7
135.11674	11.2
143.08534	4.8
145.06134	9.3
147.11685	6.1
157.91423	3.9
161.13284	9.0
163.14867	8.0
175.14836	6.6
191.17967	3.9
195.13510	4.2
201.16687	4.2
245.22601	26.5
263.23694	20.5
285.01077	7.6
337.27481	9.9
337.32880	6.9
355.06894	7.7
355.22641	7.9
355.26691	6.0
355.33975	100.0
371.91116	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
55.05272	3.9
55.05514	48.8
56.96564	4.8
57.03436	14.9
57.07080	11.4
65.03941	4.9
67.05506	85.4
68.05820	3.3
69.07073	67.6
70.06583	5.5
70.80332	5.4
71.04983	5.1
71.06899	2.4
71.08637	5.2
73.04768	4.3
74.06133	2.1
79.05496	33.2
81.07057	100.0
81.07538	5.2
82.07410	2.7
83.04981	2.7
83.08615	36.2
85.06546	7.7
85.10192	3.9
85.75535	2.1
88.07619	5.5
91.05444	21.3
93.07053	34.7
95.08611	88.1
96.08929	2.7
97.06543	15.7
97.10173	27.2
105.07035	17.9
106.08651	2.5
107.08584	25.5
109.06505	4.4
109.10153	46.8
111.08089	3.8
111.11722	9.1
113.09620	3.3
119.08593	16.2
121.10136	35.3
123.11707	23.7
125.09646	4.1
125.13266	3.7
128.98615	3.5
129.07071	3.6
131.08553	4.9
133.10107	17.6
133.45160	2.2
135.11673	16.3
137.09621	2.8
137.13289	8.7
143.08565	3.6
145.10118	4.4
147.11671	13.0
149.13268	16.5
151.14822	5.9
157.10181	5.8
159.11665	4.0
161.13272	10.2
163.14816	14.5
165.16377	4.1
167.14380	2.9
175.14818	8.2
177.16434	2.9
181.15959	3.4
185.13361	2.9
189.16393	4.7
245.22681	35.5
255.10210	10.7
257.07880	3.1
263.23734	40.4
268.97897	3.4
285.01022	4.6
309.22125	2.5
311.12723	7.7
315.16290	5.2
319.46619	2.4
333.17368	10.6
337.27469	22.6
351.18414	2.5
355.15192	3.0
355.28384	25.9
355.34030	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48333	3.7
53.03929	7.8
55.01862	6.2
55.05515	17.5
57.07074	11.3
67.05508	35.0
69.03419	8.9
69.07066	33.9
70.06577	4.4
71.04984	6.2
71.08634	6.2
71.47717	4.9
73.04752	6.7
73.40321	3.2
79.05499	27.6
79.33209	2.9
81.03398	6.6
81.07056	100.0
83.04971	6.4
83.08604	14.8
84.08126	7.9
85.02892	5.9
85.06532	14.5
91.05453	20.6
93.07049	49.5
95.04953	9.5
95.08613	90.5
97.06523	10.6
97.10184	5.4
99.04459	6.6
102.03166	2.9
103.05464	5.4
105.07026	33.6
107.04957	27.5
107.08598	40.2
109.02887	3.4
109.06506	14.8
109.10161	61.6
110.51157	3.2
111.04428	7.2
111.08091	4.4
111.11721	5.3
115.05432	3.8
117.07013	8.5
119.04949	5.7
119.08583	22.3
121.06492	11.1
121.10149	34.9
123.04439	4.1
123.08116	3.8
123.11713	41.1
127.07535	7.1
129.06964	6.0
131.04919	12.0
131.08571	6.2
133.06523	5.4
133.10156	15.3
135.08069	5.2
135.11731	33.3
137.06003	19.3
137.09546	4.7
137.13260	27.7
143.08551	4.4
144.36862	3.3
145.06477	5.8
145.10118	19.1
147.04407	6.5
147.08110	4.1
147.11668	14.6
149.06010	7.0
149.09610	6.4
149.13242	23.3
151.11203	9.9
153.12726	4.6
155.08521	3.2
157.10126	7.0
159.08064	6.4
159.11710	12.5
161.05940	6.9
161.13243	7.8
162.06807	5.0
163.11128	6.9
163.14790	11.7
165.12772	3.4
167.07054	4.9
171.11716	3.9
173.05975	5.2
173.09558	6.3
173.13269	6.2
175.07607	4.1
175.11163	6.0
175.14859	4.1
176.32738	3.2
177.16393	4.3
178.07800	4.8
179.08665	3.4
181.06517	4.0
181.12198	7.0
187.07484	5.3
187.11195	4.5
193.10266	3.4
193.12253	10.7
195.13855	4.5
197.05923	3.3
199.03958	3.6
201.05429	14.4
205.19508	6.7
207.08046	4.6
209.15370	5.3
213.09026	5.8
214.16512	3.4
215.10558	4.9
237.09016	3.2
252.07904	6.2
262.06390	3.5
263.20084	7.4
265.08740	3.9
277.08530	7.7
279.06519	3.4
279.09909	4.7
285.01022	4.3
294.09088	4.9
295.09671	7.8
311.12698	4.0
319.26303	38.6
323.09042	17.1
337.10675	7.7
337.27478	9.2
355.07712	7.1
355.11710	23.2
355.15613	6.7
355.26151	7.9
355.30112	6.3
356.11838	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	355.2996
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05508	18.2
57.07067	10.3
67.05239	3.0
67.05515	34.4
69.03462	4.4
69.07074	23.5
71.04980	7.1
71.08606	4.5
78.66565	3.3
78.81516	3.1
79.05512	21.5
81.07060	100.0
83.08595	12.9
91.05460	23.3
93.07050	61.4
95.04949	7.8
95.08602	67.2
97.06526	11.6
97.10182	12.6
98.21513	9.9
105.07045	46.3
107.08602	63.0
109.06512	6.4
109.10163	42.4
119.08583	43.5
121.10139	43.3
123.08099	3.6
123.11725	23.6
131.08565	21.6
133.10138	33.7
135.11018	2.9
135.11729	28.7
137.13298	6.5
143.08530	7.2
145.10107	21.6
147.11688	29.1
149.13258	41.4
151.11177	4.5
157.10150	9.0
159.11710	29.5
161.13251	25.9
163.14812	22.4
171.11702	4.5
173.11946	4.5
173.13174	19.0
175.14854	21.1
177.16380	5.4
185.13306	3.7
187.14862	15.9
188.99457	3.5
189.16365	25.3
191.14421	3.4
191.17973	21.3
199.14938	4.7
200.01950	3.2
201.16382	11.7
203.17957	7.7
205.16077	5.0
213.16422	8.1
215.17947	11.0
217.19629	9.3
227.17970	4.6
229.19627	4.5
239.18015	3.7
241.19565	4.7
337.28973	22.3
355.30072	67.5
355.33960	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	356.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.65442	0.3
55.01870	0.5
55.05521	2.4
56.91191	0.3
57.07058	0.9
65.03930	0.6
67.05191	0.4
67.05510	5.6
68.05843	2.4
69.07069	2.2
70.06594	2.4
70.07395	0.4
71.48415	0.6
75.02333	0.5
77.03923	0.4
79.05501	3.0
80.05796	1.4
81.06658	0.4
81.07064	4.9
82.07396	3.7
83.07719	0.4
83.08602	1.0
87.00024	1.8
88.07626	3.4
89.03905	1.6
90.04670	0.4
91.05489	3.3
92.05791	1.2
93.03413	0.4
93.07040	2.9
94.07396	1.7
95.08614	3.3
96.08938	2.6
97.09269	0.4
97.10162	0.5
99.00009	2.1
102.09165	0.5
103.05447	0.4
104.04971	1.2
105.07031	1.0
106.06526	1.0
106.07322	0.8
106.08656	1.2
107.08584	1.5
108.08899	1.1
109.10151	1.7
110.10472	1.3
111.00005	0.5
111.10790	0.4
115.05422	0.4
116.04991	7.7
117.05775	7.9
117.07003	0.5
118.06588	2.2
119.06021	0.5
119.08558	0.4
119.78105	0.3
120.08083	0.8
120.08886	0.6
121.10108	1.3
122.10481	1.3
123.11728	0.8
124.12041	0.8
125.01509	0.6
125.12402	0.5
126.01090	4.9
127.01854	0.9
128.04968	9.7
129.01012	1.2
129.05771	2.0
130.02931	1.9
130.03845	0.5
130.06548	2.7
131.06039	1.2
131.07277	0.6
131.08559	0.5
132.03482	0.6
132.04465	9.3
132.06799	0.7
132.08884	1.0
133.05177	0.6
133.10127	0.7
134.05992	1.6
134.10399	0.5
135.11684	0.8
136.07571	0.4
136.12030	1.0
137.12358	0.5
138.01059	5.7
138.99524	0.7
139.00563	5.7
139.01828	2.5
139.99005	0.5
140.02589	1.1
141.04385	0.6
142.05266	1.3
142.06413	0.6
143.06024	1.7
143.07217	0.8
144.04453	5.7
144.08078	3.4
145.05191	1.1
145.10085	0.7
146.06017	41.1
146.10417	0.6
148.12041	0.8
149.13300	0.8
150.01025	1.1
150.13582	0.9
151.00592	0.6
151.01759	0.8
153.02116	1.6
153.04524	0.4
154.89189	0.4
156.04446	3.2
157.07613	0.7
158.04797	0.4
158.06006	1.1
159.05548	3.7
159.11755	0.5
160.07607	1.3
160.12022	0.4
161.04752	3.1
162.05508	7.5
162.13589	0.5
163.14783	0.4
164.07117	0.6
167.00044	0.7
169.07605	3.2
171.05536	1.0
172.07622	0.5
174.05508	8.6
174.13588	0.7
175.06277	1.5
175.13931	0.4
178.00531	0.8
179.00060	1.1
179.01424	0.5
180.02081	0.8
181.01611	1.1
185.07138	1.7
188.07079	3.8
188.08665	0.6
188.15195	0.5
191.08167	4.2
193.01686	2.4
198.04265	0.9
204.08076	4.7
205.01656	1.7
205.08896	0.7
213.06548	1.2
216.06491	6.7
216.08182	1.2
217.07558	1.2
218.08405	10.7
219.09123	2.5
230.06845	0.8
232.07271	6.3
233.09538	3.7
234.07829	1.8
240.05548	0.5
241.05267	1.3
243.07941	12.9
243.21100	0.5
244.08737	1.7
244.21376	0.7
245.09499	1.9
245.21825	0.7
246.07852	2.2
251.04881	0.5
252.04521	0.7
253.05290	14.6
254.05925	1.1
260.08206	1.4
261.08990	20.6
261.22067	1.0
262.09418	0.7
262.22495	2.0
263.22800	3.1
264.23059	1.2
266.04636	1.2
267.05661	4.2
268.06393	4.5
269.04825	0.9
278.04828	0.8
280.06418	4.7
281.04727	8.6
282.34058	0.4
288.07727	1.6
289.08371	0.5
290.01547	0.4
296.05859	100.0
297.06317	2.4
301.07327	1.3
311.05804	0.8
324.05350	30.0
325.05710	0.6
328.08496	1.3
338.34247	0.6
355.27405	1.0
356.07999	18.3
356.27814	1.0
356.35242	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01875	1.6
56.96563	5.5
57.03428	1.9
61.02933	3.4
62.84418	0.6
65.03925	0.8
69.03154	0.6
69.03432	8.0
70.04684	2.6
70.06598	4.0
71.05000	0.8
73.02917	3.1
73.04749	0.8
79.05485	3.1
81.03420	4.2
81.99419	0.8
83.06104	1.5
84.08139	4.7
84.96040	0.7
85.02910	14.7
85.23344	0.6
86.03239	1.0
86.09690	1.7
87.04444	2.1
91.05447	5.1
93.07001	0.9
95.04944	1.0
95.06030	1.1
97.02895	7.7
98.97581	15.9
99.04449	1.1
103.05453	2.3
105.07044	5.4
107.04958	16.5
109.02868	2.0
110.07172	9.9
110.97566	4.0
112.05056	1.2
116.98618	2.9
117.05769	14.0
120.08099	3.1
122.03673	0.7
122.06018	1.4
122.07067	0.7
123.04421	1.0
123.06907	0.7
124.08722	0.8
125.19118	0.6
127.03905	3.2
128.98602	1.3
129.10237	1.0
130.06531	2.7
130.08644	0.9
131.04961	0.8
131.07315	1.4
132.08092	17.5
133.05234	4.8
136.06212	0.7
136.07565	1.2
137.05984	1.5
137.08321	3.1
138.05490	0.8
140.02310	0.8
143.00192	1.1
144.98114	0.7
145.04984	1.9
147.04395	1.0
147.06853	3.3
148.07581	43.7
149.01205	0.8
150.05542	7.3
150.06671	1.2
150.09148	1.8
152.08195	0.9
156.03293	4.0
156.07690	2.2
158.99673	4.3
160.07587	7.9
162.99013	0.7
163.06255	0.8
164.07069	1.5
166.08641	12.0
168.03377	4.1
168.05428	0.7
170.99681	2.2
174.04388	2.2
176.07072	48.8
177.00671	1.5
177.04279	0.9
177.05873	1.2
177.07423	0.7
185.02876	1.3
186.04395	6.7
189.00740	1.0
191.03889	1.2
194.08136	42.7
195.08638	0.9
201.00734	2.2
202.65851	0.7
204.05463	2.0
208.07210	1.0
215.05930	0.6
219.01772	5.1
223.15640	0.8
224.10359	1.6
225.09834	4.4
228.05467	3.0
237.02805	2.3
244.06160	1.3
246.06699	1.1
253.06506	1.1
261.02893	2.9
267.01816	0.8
279.04028	0.9
279.10275	1.2
297.11353	1.7
320.89447	0.7
321.04852	1.0
338.12418	1.9
356.13403	100.0
357.13599	1.5
369.04660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01868	4.5
57.03429	3.2
61.02916	5.1
69.03436	34.1
70.06583	4.8
71.04986	3.6
71.05663	3.9
71.06045	2.6
73.02901	6.4
73.06558	15.4
76.22652	2.1
81.03426	18.5
84.08115	4.7
85.02912	100.0
87.00325	3.0
87.00838	55.9
97.02892	29.1
99.04433	13.8
105.01872	79.3
109.02888	27.8
110.07154	5.9
117.01836	3.1
117.27955	1.9
127.02979	3.4
127.03926	68.3
129.01823	2.5
145.04971	28.1
148.07593	3.3
159.02908	11.5
183.52402	2.0
194.08218	2.0
213.03905	5.2
225.09938	2.1
231.05020	19.3
249.06152	6.0
270.90417	2.1
279.80457	2.1
296.00174	2.0
307.48145	2.0
356.13205	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	357.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89988	0.6
56.14137	0.7
56.96544	4.4
58.58416	0.7
69.03413	0.6
70.06584	3.9
70.24798	2.7
72.04088	0.6
72.08159	1.0
73.02908	0.7
77.64314	0.8
83.06097	1.7
84.08134	5.5
85.02901	1.5
85.98206	0.8
86.09710	1.2
97.02914	1.2
98.52260	0.7
98.97600	3.4
107.04964	4.7
107.24911	0.7
110.07124	0.8
110.97507	0.9
116.07093	1.3
129.10214	3.9
138.02319	2.8
156.03323	71.5
158.99667	0.9
168.03328	63.8
174.04387	25.0
174.05821	1.6
186.04390	100.0
192.05402	1.0
196.14381	1.6
199.35410	0.9
201.22290	1.0
204.05431	31.6
209.06076	0.9
219.01764	1.9
228.05438	56.6
233.47990	0.9
246.06520	28.8
267.10150	0.9
279.10175	24.0
297.11230	35.8
305.97183	0.8
315.12134	1.1
357.13492	1.7
357.25388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03943	4.6
55.01671	2.1
55.01880	23.0
55.05504	2.6
59.04998	2.2
65.03947	5.1
66.04736	3.8
67.05495	5.0
69.03426	3.0
69.07063	3.7
73.15468	2.3
74.42467	2.0
77.30798	2.1
79.05500	10.6
81.03417	2.9
81.07061	9.0
81.99647	2.4
83.05003	2.8
91.05479	10.1
93.03417	5.5
93.07027	10.5
94.04194	8.9
95.04970	5.0
95.08611	7.8
97.06485	2.4
103.05468	7.8
105.07050	9.0
107.04966	28.3
107.08614	6.8
109.02879	2.6
109.06525	7.4
111.04460	2.6
115.05470	11.3
119.08616	2.7
121.06508	5.1
121.10129	2.6
122.03666	18.7
125.06004	5.1
127.03934	2.5
130.04195	2.2
131.04921	6.5
131.08630	3.0
133.06470	5.5
135.08168	2.1
137.05984	97.9
143.04906	3.7
144.05701	3.8
145.02800	2.7
145.06471	2.9
145.10150	3.7
146.03656	6.1
147.04344	4.9
147.11719	3.0
149.05978	4.1
151.03926	4.8
153.05490	4.3
155.04944	4.5
159.08002	2.9
160.05272	3.2
161.05978	23.1
162.06747	6.7
165.05521	43.9
165.06999	7.8
171.04439	3.1
171.08125	2.3
171.11678	2.9
172.03992	2.6
173.06082	3.1
173.09662	3.0
175.07591	8.3
177.05487	13.9
178.07733	3.5
179.08563	6.5
181.06551	3.1
183.04422	4.2
187.07536	7.7
189.06987	11.8
190.07837	15.7
191.08554	17.4
195.08026	4.8
201.07091	2.8
202.00623	2.2
202.07826	5.9
203.06990	8.5
203.08672	4.1
204.06625	4.4
205.06480	6.0
206.07329	4.6
207.08063	13.9
208.08820	8.3
215.07005	15.7
217.06464	4.8
218.07253	25.7
219.08046	37.1
220.08873	4.6
221.05951	4.4
221.09547	3.3
223.07498	5.2
225.09120	4.5
229.06586	8.9
230.07150	2.5
231.08121	5.5
233.05992	3.5
233.09550	4.0
234.06754	13.3
235.07574	23.9
236.08334	13.0
237.05498	4.0
237.09146	4.0
245.05975	5.9
246.06842	23.7
247.07559	40.2
248.08324	3.7
249.05417	2.9
249.09157	12.0
250.06235	4.4
251.06992	5.8
251.10675	5.7
252.07651	5.6
253.08582	2.7
257.06009	9.8
258.06717	3.7
259.07651	5.2
261.09134	40.2
262.06317	7.2
263.07022	21.5
264.07800	18.1
265.08661	6.8
267.10184	4.3
269.08157	4.8
274.06259	17.4
275.07040	20.9
276.07858	3.2
277.08597	28.0
278.09305	11.1
279.06998	4.6
279.10202	18.7
281.08118	2.8
289.08603	57.6
290.09351	8.8
291.06671	11.3
292.07260	6.3
293.07977	4.0
293.11722	2.5
294.08914	7.6
295.09680	8.5
306.08881	13.2
307.09637	100.0
308.10297	5.3
308.87854	2.5
309.11288	18.7
311.12448	3.0
321.11218	67.3
324.10031	3.3
325.10602	2.8
327.12283	24.5
339.12344	43.9
357.13239	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	357.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.52539	0.9
55.01861	2.3
55.05506	3.0
67.05522	5.1
69.03439	1.3
69.07066	3.3
70.06575	1.7
71.04983	2.6
71.48876	1.7
74.34686	0.9
76.02230	1.7
79.05502	6.4
81.03432	2.3
81.07056	5.8
83.04961	1.5
83.08586	1.1
85.02897	1.0
86.70612	1.0
91.05486	6.9
92.69805	0.8
93.07053	9.7
95.04961	4.4
95.08620	5.1
95.86265	1.1
96.08140	1.2
97.02863	1.0
97.06522	2.2
99.04463	4.4
103.05500	1.3
105.07030	9.6
107.04955	100.0
107.08604	3.4
109.02852	1.7
109.06534	1.5
109.10146	4.0
112.30744	0.9
113.06004	1.6
115.05450	2.5
117.06993	2.6
119.04945	1.9
119.08606	3.7
121.06501	3.9
121.10146	3.1
123.04382	1.3
127.03913	1.8
129.06966	1.4
131.04860	1.5
131.08582	7.3
133.06471	5.1
133.10138	4.5
137.05974	7.0
137.09563	1.1
139.07471	1.0
141.06995	1.3
143.08572	2.1
144.04494	1.2
144.05670	1.2
145.06487	3.8
145.10117	9.6
147.11678	2.1
149.06035	1.7
149.13252	1.4
151.03918	1.4
151.07535	1.1
151.14798	1.2
155.08456	1.1
157.06473	3.1
157.10138	1.3
159.08040	8.8
159.11662	2.2
161.05984	1.9
161.09700	1.1
161.13255	1.0
165.05531	1.7
165.06981	1.0
167.07011	1.7
169.06528	1.2
169.10100	1.3
171.08041	3.0
171.11676	1.8
172.03946	8.7
173.09634	6.3
175.07500	1.8
175.11147	1.3
177.05525	2.1
178.07730	1.1
179.04881	1.3
179.08548	2.3
179.14326	1.3
181.06522	1.3
183.08104	1.9
185.09569	2.6
187.07567	2.9
187.11107	6.0
191.08711	1.0
191.10713	3.5
193.12276	1.7
195.08028	1.8
197.09637	6.3
199.11255	2.0
201.09120	1.2
204.06573	12.2
205.08534	7.6
205.12219	1.7
208.08818	1.0
209.09610	3.3
211.11206	4.0
215.10686	2.5
217.12122	1.3
219.07997	2.1
223.11156	1.5
225.08995	1.4
233.11736	3.3
235.07599	1.9
235.11201	1.5
239.06868	0.9
241.12254	1.2
247.07605	2.0
251.06985	1.1
251.14276	3.8
253.08736	1.1
265.15768	1.1
275.14340	1.1
277.08704	0.9
279.10077	2.4
279.13672	0.9
293.15451	6.9
295.09702	1.1
295.16998	1.1
297.14993	1.9
307.09659	3.7
311.16501	5.1
311.79532	1.0
321.14758	3.5
325.10654	2.3
327.12210	1.8
329.13925	1.2
339.12637	2.2
339.16251	3.2
357.09534	1.4
357.13333	6.6
357.18182	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.03944	2.3
55.01870	2.4
55.05498	1.9
67.05499	3.8
69.03432	2.0
69.07073	1.2
70.92204	1.6
71.04980	3.9
76.93643	1.2
79.05494	5.2
81.03429	2.6
81.07044	5.2
83.05009	1.3
83.08644	1.0
85.02901	1.7
91.05480	6.7
93.07050	9.5
95.04958	2.8
95.08603	3.5
96.82038	0.9
97.02919	1.2
97.06523	2.9
99.04482	4.3
103.05444	2.0
105.07045	8.8
107.04962	100.0
107.08578	2.5
109.02878	2.6
109.10169	2.1
115.05457	1.6
117.07024	2.6
119.08595	3.7
121.06510	4.4
121.10162	2.3
123.11715	0.9
127.03870	1.5
129.06955	1.5
130.07779	1.5
131.04973	1.5
131.08568	8.6
133.06526	5.1
133.10120	4.4
135.08035	1.2
137.05969	7.8
139.07500	1.4
141.06992	2.0
143.08548	2.5
144.05734	1.6
144.09236	1.1
145.02893	1.0
145.06494	3.4
145.10130	13.0
147.04362	1.1
147.08034	1.1
147.11670	2.7
149.13290	1.2
151.03928	1.1
155.08604	1.2
156.09332	0.9
157.06508	2.5
157.10083	2.2
159.08055	8.6
159.11681	3.0
161.05968	2.7
161.09598	1.6
167.07123	1.7
169.10155	1.8
171.08041	3.6
172.03909	3.1
173.08342	1.1
173.09592	5.9
175.07654	1.5
175.11179	1.3
177.05508	3.2
179.08656	1.3
182.07323	1.2
183.08092	2.1
185.09616	2.1
187.07549	4.6
187.11172	7.3
191.10670	4.2
193.12250	2.5
195.08080	2.3
197.09607	5.9
199.07562	1.1
199.11140	1.9
203.07042	2.0
203.10847	1.2
204.06575	2.7
205.08575	8.7
205.12135	0.9
208.71071	1.0
209.09805	1.6
211.11153	5.1
215.10745	3.2
219.08011	1.7
221.06024	1.2
222.10690	0.9
223.11060	1.0
233.11746	2.4
249.12834	1.1
251.14284	3.3
261.09283	1.0
265.15759	1.3
275.14029	1.7
279.10117	0.9
279.13675	1.3
289.09039	1.0
293.15375	7.7
297.11444	1.5
297.14856	2.4
307.09668	2.3
311.09427	1.3
311.16458	6.4
321.14771	3.6
327.12302	1.1
339.12204	1.6
339.15894	2.4
357.13330	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39148	0.9
53.03938	1.7
53.46784	0.9
55.01855	2.9
55.05502	1.5
67.05494	5.8
69.03413	2.8
69.07049	2.4
70.92392	2.4
71.04976	3.7
79.05485	6.8
81.03417	2.3
81.07067	6.7
83.05003	1.7
91.05480	7.4
93.07040	10.7
95.04956	5.1
95.08610	6.0
97.06506	3.2
99.04445	5.6
105.07038	8.7
107.04958	100.0
107.08585	3.3
109.02866	2.5
109.06517	2.4
109.10165	2.3
111.04457	1.5
115.05405	1.6
117.06995	3.8
119.08592	5.6
120.15427	1.0
121.06499	3.3
121.10133	1.7
122.03652	1.3
123.11676	1.3
125.05952	1.1
127.03916	2.3
129.06984	1.8
130.07765	1.7
131.04936	2.0
131.08548	8.2
133.06508	5.2
133.10117	6.7
135.04393	1.1
135.08017	2.5
135.11551	1.1
137.05975	7.1
139.07568	1.0
142.07770	1.5
143.08467	1.4
144.05685	1.2
145.06473	4.5
145.10133	9.0
147.04416	1.7
147.08052	1.4
147.11635	3.9
149.05994	1.6
157.06508	3.7
157.10092	4.3
158.07323	1.2
159.08067	8.0
159.11714	2.1
161.06027	1.5
161.09525	1.7
161.13239	1.2
165.06950	1.8
167.07118	1.3
169.06451	1.4
169.10046	1.5
171.08041	3.5
171.11684	1.6
172.03998	2.6
173.09599	6.6
175.11176	2.8
177.05527	1.2
177.09132	1.2
179.08580	3.0
183.08023	2.3
185.09615	4.0
187.07616	5.9
187.11133	5.6
189.12746	1.6
191.10649	4.4
193.12218	1.8
195.08040	2.2
197.09619	7.5
199.11195	2.2
203.07169	1.2
204.06528	3.3
205.08614	8.6
207.08034	1.8
209.09647	1.7
211.11115	4.5
215.10655	3.3
217.12297	1.7
219.08073	1.9
222.06519	1.1
233.09633	1.5
233.11696	4.4
235.07640	1.3
237.09088	1.8
247.07520	1.8
251.14296	3.6
254.15695	1.9
265.08542	1.8
265.15894	2.3
269.11789	1.5
279.10178	1.2
293.15417	8.3
295.16876	1.2
297.11478	1.3
297.14880	1.8
307.09546	2.0
311.16290	7.5
321.14841	2.9
327.12552	1.4
329.13815	2.8
339.16180	3.2
357.13171	6.4
357.17593	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01850	1.3
55.05496	2.6
63.01714	0.7
67.05500	2.2
69.03419	1.5
69.07060	1.3
71.02553	1.2
71.02882	0.7
71.04979	3.4
72.03448	0.7
79.05482	3.8
81.03391	1.5
81.07049	4.4
83.04952	0.9
83.40568	0.7
85.06550	1.3
91.05487	5.7
93.07043	8.2
95.04967	3.2
95.08602	1.8
97.06532	1.3
99.04445	2.9
101.06017	1.2
103.05452	1.1
105.07042	8.3
107.04962	100.0
107.08591	2.4
109.02869	1.1
109.06509	1.6
109.10143	2.3
113.06001	0.8
115.05457	1.2
117.06985	2.4
119.04948	1.2
119.08580	2.6
121.06505	4.0
121.10126	1.6
122.03722	0.8
123.04395	1.1
127.03922	1.1
128.06232	0.9
129.07024	2.4
130.07784	1.2
131.04898	1.7
131.08574	7.6
133.06522	4.5
133.10147	3.4
135.08073	1.6
137.05972	5.6
141.06979	1.2
142.07799	1.3
143.08510	1.1
145.06477	4.1
145.10127	10.8
147.04521	1.1
147.08057	1.3
147.11678	4.8
151.07491	1.1
155.08517	0.9
157.06459	2.1
157.10088	2.9
159.08055	7.9
159.11720	2.1
161.06003	1.8
161.09625	1.6
167.07124	1.1
167.08475	1.6
169.06479	1.3
169.10168	1.1
171.08055	2.6
171.11671	2.0
172.03912	1.3
173.09619	7.5
175.11235	1.0
177.05423	1.2
177.09143	1.0
179.08478	1.3
181.06526	0.9
181.10172	1.1
182.07214	1.7
183.08037	3.6
185.09631	2.7
187.07553	4.8
187.11203	5.2
191.08597	0.9
191.10646	3.2
193.12257	1.7
195.08049	2.5
197.09673	4.2
199.11232	1.6
204.06569	3.0
205.08607	8.2
205.12239	2.3
209.09627	2.4
211.11188	3.0
215.06894	0.9
215.10667	4.2
217.12314	1.2
222.10472	1.1
225.09108	1.2
227.10777	1.0
231.10008	1.1
233.11749	2.8
235.11230	0.9
237.09207	1.0
247.14822	0.8
249.12788	1.6
251.05472	1.7
251.14236	2.6
255.10173	0.8
265.15903	1.3
269.11932	0.8
293.15341	7.7
297.14896	1.4
303.13333	0.9
311.16443	7.1
311.81882	0.9
321.14825	3.6
325.10535	1.1
327.12469	1.1
339.12149	1.1
339.15872	2.4
357.13181	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	357.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03936	1.6
55.01874	0.9
55.05503	2.2
66.79735	0.5
67.05495	2.0
69.03431	1.2
69.07075	1.2
69.34129	3.7
71.04994	2.5
79.05499	4.6
81.03416	2.4
81.07068	3.9
83.05003	0.6
85.02905	0.7
85.06577	0.5
91.05475	5.2
93.07044	7.6
95.04975	2.7
95.08604	2.0
97.02927	0.6
97.06541	1.9
98.20725	0.5
99.04458	3.7
101.06006	0.7
103.05469	2.2
105.07029	7.7
107.04959	100.0
107.08589	2.5
109.02889	0.9
109.06541	0.8
109.10152	1.5
111.04414	0.8
113.06015	0.5
115.05464	1.5
115.06190	0.5
117.07013	2.5
119.04945	0.5
119.08607	3.3
121.06509	3.1
121.10128	1.2
124.16659	0.5
127.03931	1.3
128.06238	0.9
129.07014	2.5
130.07805	0.8
130.99901	0.5
131.04929	5.1
131.08574	9.2
133.06497	4.9
133.10115	5.1
133.38170	0.6
135.08064	1.8
137.06004	1.5
138.23929	0.5
139.07541	1.7
141.06982	1.6
143.08583	2.4
144.05740	1.4
145.06474	3.4
145.10126	9.8
147.08038	1.1
147.11717	3.3
151.07541	0.7
155.06052	0.7
155.08473	0.6
157.06529	2.2
157.10124	3.1
158.07185	0.6
159.08080	9.2
159.11711	1.9
161.06055	1.4
161.09602	1.5
163.11035	0.5
167.08575	1.2
169.06473	1.1
169.10101	1.4
170.07240	0.7
171.08098	2.7
171.11694	2.3
173.09631	7.0
175.11203	1.6
177.05582	0.6
179.08549	1.7
181.06500	0.8
181.10078	0.7
182.07318	0.9
183.08084	2.2
185.09598	4.4
187.07596	4.0
187.11179	7.0
191.10669	5.3
193.12285	1.7
195.08012	3.0
197.09613	7.1
199.11240	2.2
203.10774	1.0
205.08604	8.6
205.12238	2.3
207.08185	0.7
209.09639	2.3
211.11156	4.1
213.09056	0.7
215.07103	0.5
215.10603	3.4
217.12257	1.1
223.11232	1.2
225.09126	0.7
227.10748	0.6
233.11771	2.4
235.11156	0.8
236.12233	0.7
237.12598	0.7
241.12315	0.7
243.10229	1.2
249.12836	1.2
251.10696	0.8
251.14445	3.8
265.15912	2.4
275.14337	1.9
279.13892	0.8
293.15353	7.9
297.14822	1.8
306.01874	0.6
311.16458	7.3
321.14761	2.5
339.16019	3.3
339.23123	1.0
357.17014	1.3
357.24240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28682	7.6
55.01869	21.1
55.05515	14.9
57.07084	12.7
67.05499	36.1
69.03420	29.1
69.07070	37.8
70.06583	54.1
71.04986	22.7
71.48580	12.0
72.08170	10.1
79.05493	28.2
80.91454	7.2
81.07048	100.0
83.04983	10.8
83.08633	8.8
84.08138	10.6
85.06528	35.9
86.09706	55.4
91.05475	27.1
93.07039	68.5
95.04958	15.9
95.08612	73.9
97.06516	18.7
97.10158	8.4
99.08105	8.5
103.05452	14.3
105.07021	36.9
107.04959	86.4
107.08577	50.4
109.06527	18.9
109.10147	39.6
111.04443	9.2
111.08089	59.7
115.05479	12.4
117.07017	9.2
119.04932	10.9
119.08589	32.0
121.02835	9.0
121.06493	16.0
121.10173	47.9
122.03693	11.8
123.08030	10.6
123.11690	36.2
124.33247	7.8
125.05984	8.1
125.09614	12.5
127.11220	12.4
131.04848	8.5
131.08611	14.2
133.10092	21.5
135.08057	16.6
135.11694	34.1
137.05994	80.5
137.09628	35.0
137.13251	11.0
139.11188	24.7
143.08597	11.8
145.10127	28.5
147.04439	11.7
147.11719	21.5
148.11197	51.8
149.09572	10.9
151.11205	17.3
153.05499	10.9
159.11656	16.6
161.06013	15.2
161.13330	12.1
163.11176	16.3
167.07112	9.3
167.10695	10.0
172.03957	19.4
173.13324	14.9
175.07518	22.6
177.05507	15.6
182.07266	10.7
187.11153	8.4
189.13866	9.4
191.14220	10.8
192.10269	11.7
199.08734	18.4
199.18102	11.7
203.07060	29.4
204.06625	21.2
215.07005	22.2
219.08151	12.2
227.08221	12.4
233.05695	8.9
234.06560	10.6
235.07544	14.8
247.07431	16.4
249.09207	13.4
251.07051	9.2
255.11295	8.8
261.09024	10.1
263.07111	10.5
277.08624	14.4
279.10077	14.9
283.10425	12.7
285.22012	16.9
289.08511	9.0
291.23062	15.0
295.87204	9.1
297.11487	8.6
303.23199	53.8
307.09717	19.3
309.11151	19.3
313.10925	10.7
321.11392	14.6
321.24249	48.2
325.10748	10.7
327.12094	13.7
329.13971	18.2
339.12534	15.8
339.25287	16.1
357.13193	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01866	7.6
55.05503	10.3
55.09137	2.3
57.03422	2.9
57.07077	3.1
65.03925	3.5
67.05508	14.3
69.03432	17.5
69.07061	16.1
69.22246	14.2
69.22665	8.0
69.30682	2.5
70.06589	10.5
71.04986	10.1
73.02922	2.6
76.91801	2.3
79.05507	15.1
81.03414	12.9
81.07057	27.3
81.83763	2.4
83.04973	3.0
83.08604	4.4
84.08148	2.7
85.02917	18.4
85.06544	9.5
86.09714	9.5
87.00826	4.6
91.05495	11.1
92.04997	4.9
93.07040	20.6
95.04984	4.9
95.08607	20.7
97.02892	5.8
97.06513	5.4
99.04458	5.4
99.08055	2.8
100.11260	2.5
103.05457	2.7
105.01869	3.8
105.07044	12.0
106.06560	4.2
107.04966	23.1
107.08587	17.1
108.08138	2.6
109.02863	10.0
109.06528	10.5
109.10172	14.7
110.06047	52.1
111.04420	4.3
111.08088	17.7
114.09177	6.2
115.05457	3.5
116.04981	8.5
117.07004	2.7
119.04930	4.0
119.08587	10.8
121.06512	2.8
121.10142	16.3
122.06042	4.8
123.11682	12.3
125.09612	7.0
127.03962	11.2
127.11198	3.0
129.06990	2.8
131.04881	3.5
131.08604	3.7
133.01775	2.5
133.06447	4.3
133.10121	7.4
134.05998	7.5
135.08067	7.5
135.11693	7.1
136.07632	3.7
137.06010	18.2
137.09622	9.0
137.13199	2.4
139.07539	3.2
139.11174	3.8
143.08569	3.9
144.04494	19.2
145.04935	5.0
145.06450	2.7
145.10156	5.7
147.04375	2.4
147.11670	5.8
149.06018	3.4
149.09589	2.3
151.03908	15.4
151.07561	3.5
151.11143	3.9
152.07091	6.1
153.05438	6.1
153.09116	3.3
159.02977	3.1
159.11682	4.5
160.93723	2.3
161.05989	7.5
162.05495	4.9
163.11188	6.3
165.05524	4.3
167.07184	3.3
167.10716	4.5
169.12210	2.5
172.03940	80.7
173.13237	4.5
175.07501	3.4
176.07024	2.5
177.05490	5.2
177.12863	3.0
181.06320	3.4
187.07579	4.6
189.75792	2.4
199.11113	2.4
199.14876	3.8
200.07167	3.5
203.07021	3.1
204.06564	100.0
205.15948	2.9
212.16479	3.7
215.07196	2.8
215.17938	2.8
219.08124	3.4
230.17691	2.9
247.07674	2.7
249.09203	3.2
251.10654	2.8
265.08490	3.0
267.10205	3.3
272.67059	2.2
278.82697	2.2
285.22269	3.0
291.23306	5.0
295.10095	2.8
303.23383	12.8
307.09537	5.5
321.24335	18.5
322.09348	2.7
325.10693	5.3
327.12302	4.6
329.13892	3.1
339.25510	5.6
340.10025	4.0
357.13617	15.9
357.24689	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03934	4.3
55.01867	4.3
55.05513	63.5
57.03432	10.6
57.07075	40.1
65.86065	3.0
67.05133	4.6
67.05507	87.3
69.07073	100.0
69.82798	18.6
71.04983	7.9
71.08347	2.4
71.08646	24.3
73.88167	3.0
73.98672	3.2
75.04494	4.1
79.05500	54.4
81.07063	88.4
83.08623	61.1
85.06554	8.3
85.10186	11.4
91.05482	12.8
93.07045	60.0
95.08609	90.9
97.06535	32.7
97.10178	45.1
98.21531	2.9
103.03900	4.5
105.07044	16.2
107.08591	56.2
109.10165	48.7
111.08115	14.7
111.11705	14.3
117.06957	3.8
119.08543	7.4
121.10147	82.6
123.11690	20.0
125.09595	8.8
125.13243	4.1
129.09079	2.8
131.08530	4.9
133.10165	4.2
135.11696	78.2
137.09590	4.1
137.13240	10.4
139.11238	4.3
143.08682	3.4
144.94827	3.2
145.10106	11.4
149.13260	34.4
151.14819	9.4
157.10117	3.3
163.14816	17.5
165.09129	7.0
165.16409	11.7
177.12708	4.8
177.16438	5.6
181.15810	4.7
191.17952	8.3
205.19618	4.2
208.87772	3.1
214.94527	3.9
221.15323	10.6
245.83176	3.3
247.24243	75.6
265.25290	52.6
277.18045	6.0
283.26315	3.3
339.28955	40.9
357.11377	6.3
357.24167	5.6
357.29761	9.6
358.36728	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05512	76.0
57.03442	13.8
57.07078	45.9
66.19128	4.7
67.05506	75.2
69.07072	86.0
71.08630	26.1
71.42615	4.7
73.75240	4.2
75.78647	5.2
79.05491	44.8
81.07060	97.1
83.08622	80.6
85.10190	18.6
89.57895	4.9
91.05504	6.4
93.07039	57.8
95.08604	83.9
97.06543	34.0
97.10162	47.5
103.03937	9.3
107.08592	60.6
109.10164	43.8
109.68688	5.3
111.08080	13.0
111.11710	13.6
112.43026	4.2
121.09346	4.7
121.10141	100.0
123.11708	18.7
125.04397	4.7
125.09640	7.7
129.05467	7.4
135.11696	75.0
137.13272	10.7
149.13245	39.0
151.14830	8.5
153.12741	6.1
163.14839	17.2
165.16431	15.0
177.16411	10.7
191.17949	8.2
221.94246	5.8
247.24220	84.3
265.25302	61.2
322.31174	4.9
339.28946	51.8
357.29999	9.5
357.35681	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01865	3.9
55.05514	63.2
57.03436	13.5
57.07074	53.5
67.05511	67.5
69.07071	100.0
69.89958	15.9
69.90368	7.4
71.08626	17.9
71.17331	3.4
73.02920	3.8
79.05497	46.1
81.06593	6.0
81.07061	85.8
82.13354	4.2
83.04953	4.7
83.08622	64.2
85.10187	16.0
86.82498	4.0
91.05476	8.3
93.07047	55.9
94.11475	3.5
94.86710	3.8
95.08610	76.3
97.06525	24.8
97.10175	34.7
98.20882	5.1
104.41808	4.0
107.08594	45.5
109.10166	42.6
111.08070	12.0
111.11705	18.5
121.10153	94.1
123.11710	16.5
125.09636	10.8
135.11699	62.8
137.13258	10.8
139.11229	5.6
149.13261	33.1
151.14825	11.4
153.12685	7.7
163.14822	11.7
165.16368	8.6
167.14375	6.1
168.51924	4.0
177.16359	8.1
191.17883	7.4
205.19511	4.0
225.93159	3.4
243.78139	3.9
247.24228	71.9
265.25259	77.6
312.93054	4.1
339.28915	40.1
357.30103	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53402	2.0
52.77021	2.3
53.03943	3.1
55.01868	3.1
55.05514	48.9
56.05828	2.5
57.03422	7.4
57.06836	2.3
57.07079	30.6
58.92588	2.2
59.04992	2.3
62.64569	2.0
63.70378	2.0
66.39125	2.0
66.68884	1.9
67.05508	54.5
69.07072	62.5
70.06605	13.0
70.07378	2.4
70.69661	6.1
71.04991	4.0
71.06931	3.7
71.08646	14.7
72.47245	1.8
77.74127	2.4
79.05495	34.6
81.07061	64.0
83.04993	5.4
83.08161	2.7
83.08627	41.5
85.06528	3.9
85.10177	7.2
88.07614	14.8
89.07962	4.5
91.05470	10.1
93.06496	2.7
93.07050	40.3
94.06070	2.0
95.04965	4.1
95.08613	55.9
97.06527	21.9
97.10175	24.1
99.08087	4.0
100.73125	2.3
102.09155	3.1
105.07026	7.5
106.08660	8.6
107.04939	7.2
107.08585	34.8
109.10165	30.3
111.08065	9.1
111.11698	9.5
113.09650	2.2
117.07028	4.4
119.08583	4.5
121.10142	60.8
123.11681	10.6
125.09644	3.9
125.13277	2.0
129.07033	3.1
131.04996	2.3
131.08531	4.6
132.04457	2.1
133.10130	4.7
133.92931	2.0
135.11691	45.3
137.13274	3.8
139.11208	5.1
143.08521	2.8
145.06578	2.0
145.10115	3.5
147.08116	2.0
147.11639	2.9
149.13261	19.3
151.14857	4.1
153.12746	2.5
159.11693	2.7
163.14818	9.0
165.16394	5.3
167.14293	2.7
169.10109	2.6
177.16435	3.0
181.15877	2.2
185.13298	2.5
191.17905	4.0
202.68468	2.4
247.24249	40.6
251.14571	2.0
255.21071	2.1
265.25290	37.8
280.11252	2.5
339.22974	2.3
339.28946	20.8
339.34406	7.1
357.24203	7.2
357.35562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1502
Annotation	Bakankoside
Peak:m/z	Relative Intensity
55.01870	0.8
55.05502	0.8
56.05029	1.3
56.96560	6.7
57.03416	2.1
61.02898	1.9
65.03922	1.0
67.05487	1.0
69.03434	7.3
70.06595	14.2
70.09413	2.8
71.06876	0.9
72.08165	3.4
73.02897	1.8
79.05472	0.7
81.03387	2.7
83.06113	0.9
84.04486	2.7
84.08145	28.4
85.02436	1.2
85.02908	12.0
85.08455	0.8
86.09704	5.6
87.04473	1.3
87.05557	1.2
90.09165	1.6
91.03947	0.8
91.05457	2.7
92.05019	4.8
94.06528	0.7
95.06130	0.7
97.02895	5.8
97.99160	0.8
98.97588	9.3
99.04446	1.1
101.00838	0.8
105.07024	1.9
106.06528	1.3
107.04319	1.0
107.04962	11.3
108.08096	2.8
109.02866	1.4
110.06062	5.5
110.07173	6.4
110.97551	3.0
112.08746	1.5
115.00641	0.8
115.05437	1.3
116.07079	5.6
116.98602	2.8
117.05765	4.1
119.01878	2.2
119.04921	0.8
122.06019	0.9
123.04431	1.0
123.06818	15.4
124.07544	2.0
127.03941	3.4
127.08649	1.3
128.98602	2.4
129.10240	7.5
130.06526	1.6
130.08641	1.3
130.93304	1.2
131.01949	0.8
132.08096	8.0
134.06021	4.9
136.06163	2.7
136.07581	7.4
137.05856	1.0
138.05496	1.3
141.10179	0.9
143.00159	0.8
143.01848	1.7
145.03471	1.5
145.05016	1.5
146.99629	0.9
147.06772	4.6
148.06390	1.3
148.07578	20.2
149.01178	0.8
149.08264	0.9
150.05476	3.0
150.06570	1.1
150.09154	10.7
152.05788	0.9
152.07048	12.6
153.07813	1.4
155.00157	0.9
155.01857	1.0
156.07698	1.6
158.99649	2.2
160.06258	1.2
160.07581	16.0
166.08630	4.9
172.94370	2.1
173.02937	0.9
173.09218	2.1
174.97610	0.8
175.02739	1.0
175.11946	0.7
177.00772	1.2
178.06354	3.7
178.08641	51.9
179.09116	0.9
187.54227	0.9
189.00964	0.8
190.95308	1.0
195.53905	2.1
196.09698	100.0
197.10005	1.2
201.00621	1.0
201.22163	0.7
211.10771	0.7
219.01794	2.8
232.96506	1.6
237.02802	1.7
245.05116	3.3
251.07436	1.7
252.14537	2.2
261.03143	0.8
274.97379	1.3
276.56729	0.8
311.09445	0.8
316.08908	1.5
340.12390	1.0
358.14993	88.7
358.20810	6.0
359.08038	0.8
359.15009	2.3
359.24091	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	358.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
56.05018	0.6
56.96566	1.2
66.06480	0.5
69.03423	1.3
69.07081	0.7
70.06597	18.4
70.82720	1.2
70.83067	0.6
72.08149	2.0
73.02922	0.6
79.05499	1.2
84.04521	2.2
84.08150	9.6
85.02888	2.4
85.08481	1.0
86.09708	8.0
88.04017	0.7
92.04999	1.1
97.02856	0.6
98.97576	2.2
101.10788	0.7
105.07011	0.7
107.04961	58.9
107.11343	0.5
108.05257	0.7
108.08164	0.8
110.06036	1.5
110.07203	1.4
110.97574	0.5
116.07088	2.5
117.05503	1.2
122.06036	0.5
124.63231	0.5
127.03942	0.7
127.08681	0.6
128.07185	0.4
129.10275	4.4
130.05051	1.0
130.10600	1.4
134.09637	1.4
136.06192	100.0
137.05956	1.7
138.94341	0.5
147.04391	0.5
148.07758	0.5
150.09132	0.5
156.07674	0.6
178.08647	3.4
183.14938	3.3
185.16644	0.7
196.04002	0.6
196.06065	2.2
196.09755	1.2
196.13289	0.7
211.14325	2.2
212.05832	0.5
213.12419	0.6
219.01773	0.8
237.02814	0.6
242.10368	7.6
244.16658	0.8
252.10936	9.5
261.14514	1.0
340.13800	1.1
358.15042	4.5
358.20453	1.9
358.25116	0.7
375.31647	0.5
381.33759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2698
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
52.36666	0.3
67.09499	0.3
69.07068	5.5
69.47601	0.6
69.48007	1.5
70.06604	1.5
76.23931	0.3
79.05476	0.3
81.03387	0.3
81.07057	0.6
84.08128	0.5
85.02908	0.5
86.06071	0.4
86.09704	100.0
91.05493	0.9
95.08611	0.5
97.02924	0.3
98.21494	0.7
103.05472	0.4
107.04955	3.0
109.82677	0.3
110.06083	0.3
116.10735	1.0
119.04967	0.7
120.08121	0.4
124.07661	0.4
127.03899	0.3
131.04915	0.4
132.10234	1.3
137.05956	0.3
142.08572	0.4
152.10735	1.0
159.04420	0.4
178.12251	2.7
196.13327	5.0
199.18057	28.7
200.18488	0.7
212.16428	1.5
213.09088	0.6
227.17528	13.9
230.17439	0.4
245.18597	6.9
264.07465	0.3
265.08658	0.6
359.12848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03961	2.4
55.05515	2.7
57.03440	100.0
58.04213	1.9
67.69442	2.3
69.03416	3.4
69.07080	3.7
69.35965	14.1
74.29875	2.4
79.05506	4.0
81.03410	2.6
81.07057	8.4
91.05479	7.6
91.50463	1.8
92.48627	2.2
93.07039	4.1
95.08619	4.9
103.05463	3.2
105.07027	8.4
107.04959	18.6
107.08618	5.1
108.05317	4.6
115.05505	2.1
121.06546	2.6
121.10204	2.8
129.07001	3.4
131.04906	3.0
131.08612	3.4
133.06499	7.5
133.10155	2.9
137.05981	25.0
143.08459	2.6
147.11711	3.5
149.05945	3.0
151.03937	2.5
157.06467	3.9
157.10112	2.5
161.05981	54.4
165.07018	4.8
165.09134	3.4
171.07951	2.2
171.11711	2.9
179.08459	2.4
181.06497	3.8
182.07304	2.4
183.89619	2.1
189.09125	13.7
193.08638	21.9
197.09573	2.9
209.06041	2.4
210.06775	4.2
213.09058	4.3
217.08621	18.0
222.06775	3.3
225.09129	5.5
237.05830	2.6
251.07176	2.9
253.08586	27.1
259.07532	2.6
269.08078	6.9
270.08746	4.6
271.60962	2.2
273.11240	5.7
281.11823	4.3
283.09735	4.2
284.10437	19.1
285.11279	14.8
309.11255	38.6
329.13812	14.7
341.13855	37.2
359.14813	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.57702	1.8
59.20703	1.7
65.03934	2.2
67.05503	2.9
69.07061	3.5
70.06607	2.3
70.51717	1.9
70.52071	5.8
71.04980	3.3
72.08157	1.8
79.05490	7.7
81.07029	2.6
84.08125	4.3
84.09669	1.6
85.02901	2.2
85.06535	2.8
86.09699	5.2
86.36353	2.1
91.05486	18.3
91.34754	1.7
93.07049	4.4
95.04960	5.7
95.08624	2.6
97.06532	4.2
103.05467	67.8
103.95823	1.9
105.07030	4.3
107.04954	52.6
109.06521	4.0
115.05495	2.7
117.07047	2.0
119.04937	17.7
119.08617	2.5
122.03664	2.4
123.11722	2.7
131.04927	100.0
133.06462	3.9
137.05980	33.6
147.04416	11.0
149.05997	3.4
151.07530	4.0
159.04417	8.3
160.31807	1.8
161.05972	9.1
163.07545	24.0
167.50139	1.7
172.05069	1.8
175.07579	6.0
179.07016	3.9
179.10713	2.8
187.07574	4.1
191.08549	2.4
194.07274	3.5
195.07996	2.3
197.11813	4.5
201.05092	1.9
205.08569	2.7
210.06818	2.8
211.23770	1.7
213.09096	8.8
219.08153	3.0
222.06729	5.9
225.08958	1.7
237.09076	4.9
238.06299	7.4
251.07011	2.7
253.08498	4.8
265.08600	12.5
273.09195	3.6
289.64539	2.0
301.08533	3.6
316.10941	3.8
331.13187	2.3
341.10138	3.5
344.10406	8.9
359.12784	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.57702	1.8
59.20703	1.7
65.03934	2.2
67.05503	2.9
69.07061	3.5
70.06607	2.3
70.51717	1.9
70.52071	5.8
71.04980	3.3
72.08157	1.8
79.05490	7.7
81.07029	2.6
84.08125	4.3
84.09669	1.6
85.02901	2.2
85.06535	2.8
86.09699	5.2
86.36353	2.1
91.05486	18.3
91.34754	1.7
93.07049	4.4
95.04960	5.7
95.08624	2.6
97.06532	4.2
103.05467	67.8
103.95823	1.9
105.07030	4.3
107.04954	52.6
109.06521	4.0
115.05495	2.7
117.07047	2.0
119.04937	17.7
119.08617	2.5
122.03664	2.4
123.11722	2.7
131.04927	100.0
133.06462	3.9
137.05980	33.6
147.04416	11.0
149.05997	3.4
151.07530	4.0
159.04417	8.3
160.31807	1.8
161.05972	9.1
163.07545	24.0
167.50139	1.7
172.05069	1.8
175.07579	6.0
179.07016	3.9
179.10713	2.8
187.07574	4.1
191.08549	2.4
194.07274	3.5
195.07996	2.3
197.11813	4.5
201.05092	1.9
205.08569	2.7
210.06818	2.8
211.23770	1.7
213.09096	8.8
219.08153	3.0
222.06729	5.9
225.08958	1.7
237.09076	4.9
238.06299	7.4
251.07011	2.7
253.08498	4.8
265.08600	12.5
273.09195	3.6
289.64539	2.0
301.08533	3.6
316.10941	3.8
331.13187	2.3
341.10138	3.5
344.10406	8.9
359.12784	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.58770	0.9
55.05487	1.2
57.03424	1.7
58.11606	1.1
61.02915	3.0
62.02682	1.0
69.03412	5.0
69.07071	2.1
69.33500	9.6
80.29672	1.1
81.03366	1.5
81.07056	1.0
85.02904	19.6
86.09713	13.7
87.05581	1.3
91.05458	5.1
93.07040	6.2
95.04970	2.3
97.02875	4.1
98.20739	1.3
105.07035	6.9
107.07901	1.4
107.08601	23.0
108.60483	1.1
109.02869	2.2
109.06538	1.8
109.10133	1.5
119.08571	3.3
120.80534	1.0
123.11661	1.7
127.03912	1.8
133.10136	22.7
135.11693	19.7
137.05965	1.9
145.04926	2.1
145.49435	1.1
151.11165	1.7
155.06201	1.3
155.11765	2.0
161.09598	9.8
169.60960	1.3
179.10677	36.6
197.11742	100.0
198.11964	1.9
200.14005	6.3
228.13426	2.6
246.14230	1.3
318.79602	1.1
329.97940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05514	2.2
68.61135	2.1
69.03423	3.9
69.07066	5.0
69.69547	11.4
70.06586	8.9
70.26599	1.9
71.78760	1.9
72.08151	16.1
79.05485	5.0
81.03438	2.1
81.07061	5.9
82.92580	2.0
84.08164	12.0
85.02927	11.1
86.09708	91.9
87.10013	1.9
88.03974	2.4
91.05480	34.1
92.91151	2.0
93.07044	5.6
95.04975	4.2
96.08156	2.5
98.20760	2.7
103.05476	22.3
105.07032	8.5
107.04962	100.0
107.08597	34.3
109.10144	2.3
119.04963	29.8
119.08589	5.8
121.10130	7.8
124.93362	1.9
129.10289	3.6
131.04935	25.3
132.10193	8.6
133.10133	20.2
135.11635	2.2
137.05971	12.9
137.09602	2.1
138.09151	3.1
139.07576	2.0
141.10216	2.9
143.11809	20.2
147.04378	6.7
149.09633	3.9
151.07539	2.5
151.11194	5.7
156.10201	4.4
159.04430	29.7
161.09624	5.9
167.10687	13.8
171.04364	3.5
171.11285	6.8
177.05482	3.5
179.09193	2.6
179.10622	16.5
183.11325	2.3
189.12286	10.7
195.08029	3.1
197.11729	93.1
200.13974	6.6
201.12372	27.1
209.20061	2.2
213.09119	32.7
219.08005	2.3
228.13506	2.8
229.11879	2.8
247.07483	3.0
253.08681	7.2
265.08591	23.2
359.12881	46.7
359.16928	3.3
360.13406	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	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10756	0.4
55.05512	8.0
56.05030	1.6
57.05816	1.3
60.05622	0.4
61.02925	0.7
64.22131	0.4
67.05529	0.6
69.03434	1.8
69.07073	1.2
70.06599	5.7
70.54282	0.8
72.08157	100.0
73.08469	0.6
79.05482	0.5
81.03429	0.8
81.07055	0.4
83.04991	1.4
83.06104	9.1
84.04505	15.1
84.08139	3.8
85.02906	4.9
86.09709	20.8
87.10078	0.4
88.03996	0.9
91.05492	0.6
93.07056	1.4
95.04986	1.2
95.08612	0.6
97.02924	1.1
99.04508	0.4
101.07150	3.5
102.05558	1.4
103.05476	0.6
105.07052	1.1
107.04979	1.7
107.08639	1.9
109.02888	0.7
109.06579	0.6
109.10182	0.6
110.09690	0.8
111.08099	0.7
112.08707	0.5
113.07157	0.4
113.10809	0.4
116.07110	1.2
117.06988	0.6
117.10258	18.3
118.08666	0.4
119.08618	0.4
120.08124	1.5
121.06535	0.4
122.07178	0.6
125.06001	0.8
127.03979	1.1
129.06664	1.2
129.10269	1.7
132.10204	7.4
133.10133	2.8
135.11719	2.1
137.06015	0.8
137.09654	0.5
138.09137	1.9
141.10239	0.5
145.04959	0.6
151.07637	0.4
152.07036	3.2
155.11784	0.5
156.10181	0.7
157.07649	1.3
161.09651	2.2
179.10648	4.9
179.12006	0.5
182.12868	0.4
183.11299	2.3
183.14925	0.5
194.08116	4.1
194.09360	0.4
196.14481	1.8
197.11771	7.3
197.13115	2.9
200.13945	2.4
201.12347	3.0
211.10793	9.3
215.13974	0.9
217.13802	0.5
225.12404	0.6
228.13446	24.1
229.11873	0.8
242.14987	9.3
242.17224	0.7
243.13391	5.3
253.16701	0.7
260.16043	3.5
341.21841	0.5
342.20093	0.9
359.12421	0.7
359.16855	1.8
359.23267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
56.05025	2.8
61.02912	1.0
69.07059	2.3
69.47466	7.5
70.06585	5.6
72.08157	100.0
79.61401	1.0
83.05647	1.4
83.06107	17.9
84.04504	20.2
84.08134	5.7
85.02892	4.6
86.09707	98.2
87.04449	0.9
87.10043	1.6
95.04958	1.8
98.21516	1.2
101.07142	4.0
107.04950	1.2
110.07162	1.2
116.07068	1.5
118.08669	7.5
120.08092	1.2
123.08064	1.5
125.06023	1.2
129.06573	3.4
129.10251	5.3
131.04927	1.8
132.10210	21.2
137.05977	2.5
138.09146	8.9
143.11794	2.2
145.04906	0.9
152.10732	1.1
155.11794	3.0
157.13370	31.1
161.09560	1.5
171.11372	1.3
175.10780	29.4
179.06827	1.0
179.10632	1.5
179.14235	1.2
182.12900	18.0
183.11293	17.7
185.12857	24.8
185.16412	2.2
196.14426	3.9
197.13022	4.7
199.18103	1.4
200.13951	8.2
210.12411	5.3
211.10730	2.4
213.15952	1.2
214.15567	2.4
216.21243	0.9
224.13928	1.8
228.13445	4.4
238.90363	1.0
242.14966	1.7
246.14519	1.2
284.19897	1.5
341.21756	13.0
359.16534	3.7
359.23193	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	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.2
56.02586	0.6
56.05030	1.8
60.05633	0.6
69.03423	1.2
69.07079	6.3
70.06601	8.2
71.01497	1.3
72.08160	50.5
73.02926	0.7
74.06074	1.0
79.05499	0.7
81.03380	0.7
83.05073	0.6
83.06108	5.8
84.04514	9.4
84.08146	8.0
85.02905	2.2
86.09711	100.0
87.10030	1.8
91.05459	0.9
95.05000	0.8
97.02940	0.7
98.97559	0.7
101.07164	1.5
103.05484	1.6
103.42582	0.7
107.04961	4.2
110.07217	1.1
112.03932	0.7
113.06000	0.7
116.07104	2.9
118.08655	4.2
119.04938	1.0
120.08125	9.6
121.10171	0.8
121.91245	0.6
123.04507	1.2
129.06648	2.7
129.10248	7.2
130.08655	0.7
131.04878	1.1
132.10164	3.2
133.10167	1.0
136.07576	0.8
137.06013	2.3
138.09154	1.5
143.11807	22.3
147.11302	0.6
150.05542	0.7
152.10774	0.8
157.13416	1.8
162.05556	0.9
167.07085	1.0
169.13351	0.9
171.11307	14.5
175.07439	0.7
175.10785	2.0
178.89117	0.6
179.10614	1.5
182.12917	2.8
183.11281	3.0
185.12901	1.4
185.16553	1.0
189.12357	29.0
191.07176	0.8
191.08965	0.7
196.14505	3.6
197.13120	3.9
199.18149	1.4
200.13977	1.6
210.12497	1.3
211.10693	0.7
213.16130	1.0
214.15610	1.8
216.14160	1.0
224.14087	1.3
227.17499	1.0
228.13539	1.0
237.12550	0.6
242.15114	1.1
246.14403	0.8
250.08705	0.8
253.11937	1.7
277.08987	0.7
284.19827	1.4
341.21713	3.3
359.13046	5.1
359.16946	8.5
359.23917	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	359.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.01888	1.8
55.05511	3.2
56.05039	1.5
56.96568	10.1
57.03447	3.1
57.07100	1.2
59.05007	3.2
60.04534	1.9
60.05653	12.3
61.02924	4.1
65.03960	1.2
67.05511	2.1
68.01747	0.7
68.05023	0.8
69.03439	11.6
69.07079	3.6
69.60512	3.1
69.60919	1.5
70.06598	100.0
71.05003	7.1
71.06912	1.0
72.08161	19.9
73.02921	3.4
74.06090	1.5
81.03427	5.4
81.07061	1.8
81.73110	0.7
82.06589	1.0
83.01344	1.4
83.04987	2.1
83.06104	1.1
84.04527	4.0
84.08151	20.0
84.96031	1.7
85.02913	24.1
85.06525	1.0
85.08485	4.5
86.03239	1.1
86.09711	33.4
87.04486	2.2
87.05596	1.4
88.07640	2.7
89.00765	1.2
91.03959	1.4
91.05460	1.5
93.07010	1.3
95.04948	0.9
95.41840	0.7
97.02901	10.5
97.07649	2.2
97.96775	0.9
98.06072	2.5
98.21503	1.0
98.97591	30.6
99.04443	2.5
101.00862	2.0
101.07139	0.8
101.10835	1.0
102.05520	1.0
105.03357	0.8
106.96567	3.3
107.04964	17.0
108.05298	1.7
108.08105	3.4
109.02872	2.5
109.06496	0.9
110.01297	1.2
110.06023	2.1
110.07176	7.5
110.97598	5.7
111.04483	1.1
112.07569	1.1
112.08730	23.3
112.99091	0.9
115.08697	6.6
116.07090	6.7
116.98622	8.3
119.01862	2.6
120.08064	1.3
123.04424	1.0
123.06811	0.9
124.07594	0.8
124.97599	1.0
124.99068	0.8
127.03925	8.2
128.98587	6.0
129.10254	6.3
130.04984	3.7
130.08630	5.1
130.09587	1.3
130.93274	1.4
131.00171	1.6
131.01904	2.0
134.05992	2.3
134.99661	1.7
136.06186	2.1
136.07594	2.0
137.05899	1.1
138.12779	1.5
138.97925	0.7
140.08212	6.0
140.98576	1.3
141.10252	1.8
143.00201	1.8
143.01891	5.3
143.03549	1.1
143.11813	5.6
145.03429	2.1
145.04941	3.4
146.99619	2.1
147.04329	1.1
147.07698	4.7
147.11290	2.2
152.04100	2.2
152.07112	5.7
155.01903	2.7
155.04610	1.4
155.08092	1.5
156.07626	1.6
157.03513	1.8
157.09692	0.9
157.10863	6.1
157.13353	1.4
158.09248	2.4
158.99667	12.4
159.03041	0.9
161.01215	1.0
161.02899	6.0
161.04590	3.1
164.07037	1.2
166.98589	0.9
169.09688	1.2
170.99599	2.9
171.03197	0.9
171.11270	1.4
172.10841	4.9
172.94394	1.5
173.01292	0.8
173.02864	2.8
173.04497	1.6
173.06529	0.8
173.09123	1.2
174.04376	2.4
175.11937	7.0
177.00732	8.4
178.08537	1.5
179.08907	2.4
181.06427	1.0
182.03340	0.9
182.16531	1.6
182.99635	0.8
183.12370	2.0
183.14932	4.8
184.99701	1.0
185.02879	1.4
185.06529	0.8
185.16394	2.4
186.04344	2.4
187.02745	1.3
187.10725	1.3
187.56038	1.1
188.05095	4.9
189.00639	1.8
189.04166	1.1
190.95297	1.0
191.03854	2.0
195.08151	1.0
196.09599	2.9
197.01178	1.2
197.05693	8.0
197.09917	4.1
197.55872	1.1
198.11174	1.0
200.13924	1.3
201.00671	2.6
203.03918	1.6
203.13821	1.4
204.05429	0.9
205.03673	0.8
208.14418	1.4
210.15927	1.7
211.14302	1.3
213.04205	2.2
213.06094	0.9
214.95451	1.3
214.98480	1.0
219.01758	8.1
221.04968	3.2
223.07391	2.0
225.17145	12.8
226.11813	1.1
227.06784	2.3
228.05415	1.1
228.17017	1.0
229.03757	1.1
229.12836	1.8
231.05310	1.8
232.96394	1.4
233.06779	38.6
233.56915	4.8
235.11780	2.2
237.02827	6.7
242.19667	1.9
245.04971	3.5
246.15474	3.4
250.08609	1.1
251.06999	1.1
253.12854	1.0
253.16602	1.0
261.02637	3.0
268.09561	1.5
269.07709	2.6
270.19067	3.4
271.17477	2.4
274.97394	1.2
275.09738	1.1
278.08292	3.9
279.03757	2.4
288.20471	4.8
293.10764	3.9
305.06912	1.8
309.08582	1.7
314.12003	1.8
317.08557	1.2
321.10086	0.9
323.06470	0.9
331.14392	0.8
335.11874	1.4
342.21518	7.5
351.09225	1.3
359.07199	1.4
359.12979	32.9
359.24017	98.0
360.23950	2.2
375.09195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05513	100.0
57.07065	1.0
67.05509	9.3
69.03471	0.8
69.07058	4.4
69.27822	8.4
71.04988	0.9
79.05502	14.5
81.07059	13.4
83.08624	55.6
90.44153	1.0
91.05496	6.4
93.06493	1.3
93.07049	19.4
95.08611	9.4
97.10196	1.3
105.07030	6.6
107.08595	12.1
109.10169	5.0
113.15852	1.0
119.08591	6.7
121.10149	12.2
123.11712	2.4
131.08598	1.4
133.10126	5.2
135.11697	12.3
145.10091	2.3
147.11687	4.7
149.13263	8.0
157.10133	1.1
159.11629	1.4
161.13275	2.7
163.14803	3.0
167.70898	1.2
171.11661	1.2
173.13185	1.2
175.14893	1.2
176.77257	1.1
190.52298	1.1
217.19511	1.2
252.04376	1.3
259.20517	1.9
275.20096	2.5
277.21646	18.4
316.07339	1.8
359.09027	4.2
359.25446	1.5
359.29471	14.3
359.36917	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.1
57.03428	7.2
57.06794	4.8
57.07078	100.0
67.05507	35.6
69.07069	21.9
69.77206	5.7
69.77617	6.6
70.06579	3.4
71.08634	72.7
75.04469	2.9
79.05507	3.8
81.07060	47.7
81.07532	3.0
83.08621	25.0
85.10184	38.1
91.05467	3.1
93.07053	3.9
95.08612	60.1
95.59673	2.0
97.10171	24.8
97.14898	2.0
99.11703	3.6
109.10156	32.2
111.11697	11.6
113.13256	3.1
119.08640	2.2
121.10158	3.1
123.11722	14.2
125.13261	4.7
133.10107	2.2
135.11676	2.3
137.13264	10.7
151.14807	2.9
189.59746	1.9
197.01151	10.4
209.01170	2.2
211.02721	22.0
213.00644	11.2
227.02232	35.3
229.00165	33.7
247.01198	6.3
249.25835	2.4
252.01820	3.0
267.26831	13.8
279.08939	3.6
285.27921	6.2
295.08200	2.7
316.07278	2.2
341.30505	54.8
341.34698	3.0
344.06689	2.5
359.09070	6.5
359.18903	26.3
359.37122	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	359.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45967	4.2
53.03930	4.1
55.05517	18.6
57.03428	7.2
57.07079	100.0
67.05510	35.4
69.07080	18.4
70.06577	5.5
70.61315	5.8
70.61658	6.4
71.08637	70.6
81.07058	37.7
83.08612	20.1
85.10190	43.5
88.07643	5.6
93.07034	5.1
95.08613	57.5
97.10173	24.0
105.03733	4.2
105.06982	4.2
109.10163	32.7
111.11739	8.5
123.11699	16.3
137.13179	5.8
261.56992	3.8
266.10559	3.7
267.26770	11.9
285.27875	6.7
296.29736	4.0
302.93494	3.5
341.30490	64.6
359.37094	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82756	0.8
55.04490	0.6
55.05512	6.9
56.05032	2.0
69.03428	1.5
69.07058	0.7
70.06590	11.4
71.21712	1.6
72.08156	89.4
73.08480	1.4
74.06081	1.2
81.01472	0.7
81.03402	0.7
83.06104	0.9
84.04506	6.6
84.08146	16.4
85.02895	2.6
85.08465	5.0
86.09706	100.0
87.10040	1.5
97.02884	1.4
102.05556	3.0
107.04951	5.3
110.07178	2.3
112.08698	1.0
114.09148	0.8
119.08258	0.7
129.10242	10.0
130.05037	3.8
130.10585	4.6
134.06029	1.4
136.07568	0.7
138.05521	2.6
139.57394	0.8
145.04926	0.7
148.06050	14.8
148.07170	0.9
152.07068	0.8
156.06660	1.3
180.06560	1.3
184.15277	0.7
185.16496	56.1
186.16847	1.0
191.70198	0.7
194.07498	0.7
198.11261	1.0
213.15971	26.5
232.17392	0.8
243.07971	0.6
258.06741	0.9
261.14453	14.9
268.04166	0.7
270.09872	0.9
314.10321	1.1
316.10629	0.9
317.06747	1.3
317.12286	1.4
343.08408	0.8
360.10181	1.6
360.16589	2.3
360.26840	3.1
361.11084	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	360.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07075	10.4
70.02966	1.8
70.06590	2.8
70.52236	2.4
71.06509	0.8
72.08150	1.3
73.08479	0.7
75.67535	0.9
81.07041	1.3
83.04974	1.0
84.08134	1.8
85.02892	0.9
85.04055	1.9
86.09710	75.9
87.10036	2.6
88.03999	14.6
91.05485	2.6
92.05839	1.0
93.07080	1.1
96.08128	5.0
98.02441	4.0
103.05493	0.8
105.07027	1.0
107.04962	10.0
107.08566	1.3
108.05299	5.2
108.08877	1.2
108.12001	0.9
110.09687	1.6
113.10766	1.8
119.04949	1.9
119.44366	0.7
120.08125	1.4
124.07616	0.9
131.04929	1.5
132.10214	5.8
133.06099	1.4
137.06003	1.7
138.06343	0.9
138.09103	2.4
141.10222	11.8
142.08623	2.1
143.11801	1.2
147.04402	1.2
155.11768	1.1
156.10207	20.5
159.04434	2.4
160.04773	1.9
166.08647	1.1
172.33757	0.8
180.11075	0.8
183.11266	4.8
184.09755	2.3
189.12354	1.2
197.11755	2.1
198.12192	5.2
198.14870	1.3
201.12352	100.0
213.09134	1.7
214.09428	2.2
214.18059	1.8
229.11827	15.0
244.46875	0.9
265.08459	0.9
266.08820	1.9
360.13150	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	360.213
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
52.83302	1.1
55.05516	8.8
56.05035	4.9
57.05825	1.5
61.01126	1.9
66.45345	1.2
67.05513	1.6
69.03410	1.7
69.07065	5.7
69.53374	6.4
70.02957	2.2
70.06597	38.1
71.59190	1.1
72.08160	100.0
73.08485	4.0
82.06581	1.2
84.04511	44.0
84.08156	8.6
85.02877	1.9
86.09710	71.2
87.05613	2.8
88.04013	2.6
91.05485	3.8
99.95108	1.0
101.07195	1.2
102.05545	21.3
104.05318	2.4
109.10190	3.3
110.09678	2.7
111.08109	3.1
116.07092	7.2
118.08683	6.4
120.08114	4.4
124.07564	2.5
124.11226	2.1
127.03898	1.7
129.10274	2.8
130.06583	1.3
130.08661	4.8
132.10211	47.5
136.07632	2.8
138.09131	13.0
147.11310	2.1
155.11797	3.1
156.10204	10.3
169.13434	2.0
183.11314	38.8
197.12906	3.0
201.12352	45.1
211.10776	12.9
212.11067	1.6
215.13971	5.8
217.13707	4.2
228.13362	1.5
229.11874	10.6
229.13765	2.1
231.17056	3.6
241.19305	1.2
243.13448	3.3
292.14029	4.9
343.16190	1.4
343.23383	3.1
344.86423	1.3
360.20386	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	360.2131
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
69.07075	10.4
70.02966	1.8
70.06590	2.8
70.52236	2.4
71.06509	0.8
72.08150	1.3
73.08479	0.7
75.67535	0.9
81.07041	1.3
83.04974	1.0
84.08134	1.8
85.02892	0.9
85.04055	1.9
86.09710	75.9
87.10036	2.6
88.03999	14.6
91.05485	2.6
92.05839	1.0
93.07080	1.1
96.08128	5.0
98.02441	4.0
103.05493	0.8
105.07027	1.0
107.04962	10.0
107.08566	1.3
108.05299	5.2
108.08877	1.2
108.12001	0.9
110.09687	1.6
113.10766	1.8
119.04949	1.9
119.44366	0.7
120.08125	1.4
124.07616	0.9
131.04929	1.5
132.10214	5.8
133.06099	1.4
137.06003	1.7
138.06343	0.9
138.09103	2.4
141.10222	11.8
142.08623	2.1
143.11801	1.2
147.04402	1.2
155.11768	1.1
156.10207	20.5
159.04434	2.4
160.04773	1.9
166.08647	1.1
172.33757	0.8
180.11075	0.8
183.11266	4.8
184.09755	2.3
189.12354	1.2
197.11755	2.1
198.12192	5.2
198.14870	1.3
201.12352	100.0
213.09134	1.7
214.09428	2.2
214.18059	1.8
229.11827	15.0
244.46875	0.9
265.08459	0.9
266.08820	1.9
360.13150	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11701	7.3
54.11628	8.7
55.05497	18.1
62.36390	7.8
67.05509	47.8
69.07069	19.3
70.73174	19.4
70.73515	6.8
71.05002	52.7
71.76764	8.0
79.05510	43.0
81.07047	29.0
83.04987	7.9
83.08614	17.1
86.06052	13.4
91.05477	18.4
93.07032	56.1
95.08599	19.9
97.06484	10.8
105.07026	13.9
107.04950	24.1
107.08585	18.1
109.10155	35.8
119.08595	15.3
121.10146	47.9
153.12733	26.4
155.10655	26.7
173.11728	62.5
179.44171	7.6
189.11201	21.6
198.11293	30.3
219.07994	17.9
235.07445	17.0
236.08286	33.4
237.09174	10.8
270.29080	8.2
275.20032	23.3
311.10583	11.5
317.07993	10.4
346.08353	9.6
360.13397	100.0
361.10526	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.9
62.59005	6.2
67.05510	34.9
69.07070	25.4
69.26665	26.4
69.27092	20.4
70.06606	7.5
71.04992	38.0
71.91877	5.1
79.05505	40.2
81.07056	24.1
83.08610	10.6
84.02070	4.8
87.16698	5.2
91.05492	10.4
93.07050	30.5
95.08605	15.9
97.06537	5.2
97.10182	15.8
105.07020	12.7
107.04958	96.9
107.08607	36.0
109.10144	27.3
119.08584	9.3
121.10167	33.1
123.11713	6.9
125.09632	13.7
133.10136	6.6
140.87119	5.3
153.12779	18.0
155.10687	18.7
173.11760	40.9
189.11171	14.8
236.16537	10.6
254.17534	35.6
275.20074	22.7
317.07941	27.3
318.08801	11.0
345.07413	15.2
346.08276	12.7
358.60565	6.3
360.09500	9.3
360.21823	11.9
361.10651	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	361.1072
Annotation	Latinone
Peak:m/z	Relative Intensity
52.90039	0.4
55.05516	0.7
67.05508	0.7
69.03438	1.9
69.07063	0.7
71.47949	0.6
79.05484	1.0
81.03426	0.5
81.07044	1.9
83.04956	0.5
91.05455	1.0
93.07029	0.8
95.04986	0.5
95.08591	1.0
97.06459	0.4
103.05465	0.5
105.07019	1.1
105.80898	0.4
107.04957	13.9
107.08597	1.1
109.02855	0.7
109.10159	0.6
117.07037	0.5
119.08613	0.6
121.06550	0.6
121.10155	0.5
125.09695	0.4
129.06996	0.4
131.04919	1.2
131.08588	0.8
133.10101	0.4
133.71935	0.4
135.08095	0.5
141.06964	0.4
145.10152	0.5
149.09592	0.4
151.07465	0.4
157.06483	0.4
159.11711	0.5
161.06010	1.4
165.07002	0.6
167.07036	0.7
178.07779	0.7
179.08636	0.6
181.06453	1.1
181.10059	0.4
195.08046	0.4
196.08876	0.5
199.07683	0.5
207.08121	0.4
209.05937	0.4
209.09653	0.5
211.07590	1.0
223.07571	0.6
224.08298	2.0
225.09000	0.5
227.10605	0.8
234.10284	0.5
235.07509	0.7
237.08972	0.7
239.10732	0.9
240.07843	1.3
243.08154	0.6
244.08890	0.8
245.09636	1.2
247.07535	1.5
252.07863	0.7
253.08412	0.5
255.08121	0.6
255.10249	4.5
261.09204	1.9
262.09961	1.0
267.07373	0.5
267.10181	3.6
267.12949	0.6
271.07492	1.1
272.08365	1.1
273.09055	1.7
275.06992	0.8
283.07504	1.3
287.07004	0.8
287.10464	0.6
289.08551	3.1
290.09363	4.6
299.07092	2.0
299.10150	0.5
300.07764	1.7
301.08585	4.5
302.09418	0.9
303.06512	0.8
311.07156	0.7
317.08072	14.6
317.11798	0.8
318.08859	8.9
328.07324	1.8
329.08066	8.8
329.11179	0.4
333.11209	0.8
343.26614	0.5
345.07651	5.1
346.08371	37.5
347.08481	1.0
361.10660	100.0
361.14450	9.5
362.10974	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	361.1106
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
51.31598	0.9
56.05029	0.9
58.06596	0.8
61.17822	0.8
61.54133	0.8
62.03303	0.9
63.17643	0.9
64.42724	0.8
70.06598	4.3
71.14854	1.8
72.08143	3.5
74.06072	3.0
80.17766	0.8
81.03415	1.1
84.04495	2.0
84.08144	6.5
85.02917	2.0
86.09704	7.9
87.10062	0.9
90.80080	0.9
93.43984	0.8
97.02861	1.3
98.97562	1.5
100.23798	0.7
107.04948	1.4
122.15023	0.9
129.10234	3.6
131.58408	0.8
132.10165	3.0
140.07072	2.0
181.10155	1.0
203.10201	0.8
275.11057	7.5
299.11191	1.5
317.12064	53.7
318.12500	1.8
361.11020	100.0
361.14368	3.7
362.11469	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	361.1494
Annotation	Stansioside
Peak:m/z	Relative Intensity
55.05504	3.6
67.05531	3.6
69.03419	9.2
69.07072	4.7
69.73318	17.4
70.06590	21.7
72.08150	14.1
79.05482	10.3
81.03419	7.2
81.07035	3.4
83.13109	2.8
84.04517	7.6
84.08135	20.3
85.02900	13.1
85.69374	3.4
86.09708	44.4
87.10029	14.7
91.05477	10.6
91.53837	3.1
93.07044	16.4
95.04961	4.0
97.02856	6.6
97.06512	5.1
98.97578	7.2
103.05457	5.2
107.04949	13.9
108.29851	3.5
110.07187	6.3
116.07091	14.8
120.08112	6.0
121.06504	21.7
123.08076	4.7
127.03929	7.3
129.10243	12.2
136.07602	3.6
137.06001	15.1
139.07538	13.8
149.06015	9.2
165.09099	7.8
167.07040	100.0
181.06569	4.8
186.94272	3.0
188.97511	3.0
199.09857	25.8
200.18396	4.9
208.08282	4.1
224.07901	4.3
254.00151	3.3
268.04163	3.8
317.06598	5.5
317.73666	3.3
361.14078	8.2
361.18256	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	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26232	4.2
51.59783	4.1
51.64672	3.7
53.03938	5.8
54.52693	3.5
55.05500	15.8
57.07062	7.7
67.05507	28.3
69.03429	5.8
69.07066	28.5
70.24681	14.2
71.04974	11.6
79.05487	18.6
81.07054	88.5
82.85852	3.6
83.08601	8.6
85.06541	11.0
91.05458	9.8
93.07051	42.5
95.08614	79.5
97.06513	5.2
99.08102	6.2
103.05451	5.2
105.07018	16.9
107.04962	100.0
107.08611	29.8
108.05225	5.2
109.10170	36.2
111.08095	21.6
113.23487	4.1
119.08563	9.5
121.10144	19.6
123.11719	67.7
127.11200	10.1
129.07014	7.1
130.98151	4.0
131.04871	11.6
131.08501	6.9
133.10146	7.0
135.11670	17.1
137.05917	4.2
137.13277	33.7
139.11234	7.5
144.05678	4.4
147.11717	10.0
149.13240	26.8
153.07016	4.7
153.12727	10.6
157.06493	10.9
159.04385	10.0
159.11687	8.5
163.14720	5.1
165.12755	8.8
173.05997	6.3
177.05444	7.3
187.14787	4.4
197.06097	5.7
197.09686	4.8
203.17932	8.0
215.07013	7.1
222.70743	4.5
224.08508	4.7
225.09093	6.9
237.18576	5.6
240.07825	4.3
241.08777	4.2
248.03473	4.0
255.10162	45.6
267.10104	17.2
271.24335	5.0
273.05804	15.4
277.25336	13.4
277.83688	3.9
289.25171	7.3
307.26431	11.3
361.14392	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.5
53.88534	3.0
55.05520	22.8
57.07072	14.1
58.35392	3.3
58.45872	3.2
67.05508	34.4
69.03434	4.5
69.07070	43.4
69.65395	15.6
70.06563	3.8
71.04979	7.5
71.08619	4.3
73.44884	2.8
77.02242	3.1
79.05490	33.2
81.03429	6.9
81.07055	100.0
83.08603	14.3
85.06554	7.5
91.05497	22.3
93.07046	55.6
95.04973	8.1
95.08611	82.1
97.06519	8.4
97.10172	10.0
99.08111	6.0
105.04449	3.0
105.07039	33.4
107.04959	82.5
107.08590	39.5
108.00639	3.2
109.06523	5.4
109.10157	61.3
111.08086	6.9
111.11712	6.0
117.07011	6.2
119.08607	22.4
121.06528	5.2
121.10146	31.5
123.11714	40.8
125.09672	3.7
127.11211	9.7
130.07808	3.1
131.04932	6.7
131.08569	12.0
133.10155	22.7
135.11705	23.7
137.05956	6.2
137.09648	6.8
137.13280	15.4
141.06902	4.0
141.12708	6.6
143.08559	4.2
145.10146	12.5
147.11678	21.9
149.13271	23.5
151.11209	4.9
153.12726	3.5
155.10683	4.9
159.11734	13.3
161.13286	8.5
163.14839	12.2
165.12767	3.5
169.06528	4.5
173.13293	5.6
175.14845	5.5
177.16374	13.5
187.14825	6.3
189.16510	8.1
192.27487	3.2
193.98479	3.4
195.08037	4.4
197.06093	4.4
200.12828	5.2
201.16377	7.3
203.17940	4.4
211.07541	4.3
215.17921	7.5
219.85413	3.3
221.09462	3.7
222.06561	3.4
239.07098	5.6
255.15005	6.0
271.20624	3.2
271.24295	8.9
273.05490	3.6
279.06726	4.5
289.25375	6.0
331.14594	4.0
333.11298	6.1
361.10547	40.1
361.14529	6.3
361.19153	33.3
361.25397	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	362.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10179	1.1
74.00665	0.5
74.11633	0.3
75.82686	0.2
81.85992	0.2
85.82465	0.2
107.11866	0.3
120.01173	0.6
129.94757	0.2
133.11450	0.3
149.84819	0.3
153.06905	0.3
168.05716	0.5
169.06497	1.3
181.06467	0.4
183.08018	1.3
197.06003	5.4
198.06738	0.3
202.04521	0.5
209.15349	0.3
211.07541	4.5
212.08337	14.3
213.03670	2.8
213.08800	0.3
224.02884	0.3
225.05499	2.4
227.07034	1.2
229.08580	3.1
230.04013	1.2
239.07115	1.3
240.02602	0.4
240.07822	12.9
241.03204	1.1
241.08636	1.3
242.09378	2.5
245.06331	8.9
245.08867	0.4
246.06500	0.3
256.05551	1.2
258.03445	0.4
273.05807	100.0
274.06091	2.0
299.07339	0.5
362.10620	0.7
378.89404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11615	0.1
67.05503	0.1
69.07056	0.2
71.47993	0.1
74.00647	0.5
79.05512	0.1
81.07030	0.2
83.08602	0.2
88.03996	0.2
95.08612	0.1
105.07034	0.1
106.05044	0.2
107.04946	0.5
108.05295	0.1
115.05486	0.1
120.01179	0.5
120.08101	0.1
141.06906	0.1
153.06946	0.2
155.08621	0.1
165.06956	0.1
168.05728	0.3
169.06467	1.3
180.05710	0.1
181.06447	0.7
182.07242	0.2
183.08060	1.9
184.08794	0.2
185.04169	0.2
187.07533	0.4
196.05142	0.2
197.05978	5.1
198.06717	0.5
199.07524	0.2
201.09166	0.5
202.04506	0.6
210.06854	0.2
211.07552	4.1
212.08330	13.5
213.03677	2.8
213.05699	0.2
213.08960	0.4
214.04353	0.2
214.06288	0.2
222.06778	0.2
224.02885	0.3
225.05495	2.5
225.08998	0.1
227.05159	0.1
227.07033	1.3
229.08603	3.2
230.03978	1.1
239.06995	1.5
240.02599	0.3
240.07808	12.6
241.03206	1.5
241.08496	1.5
242.03827	0.2
242.09360	2.3
245.06314	8.5
246.06815	0.2
255.04614	0.2
255.08752	0.1
256.05521	1.4
258.03513	0.3
273.05789	100.0
274.06119	2.0
281.06409	0.1
282.11456	0.2
290.06445	0.1
299.07385	0.4
362.10727	0.8
362.14728	0.2
363.11923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05524	2.2
56.05039	10.0
56.96558	4.9
57.03426	3.7
58.06598	1.3
60.04523	2.7
61.01128	2.7
61.02929	2.9
69.03430	9.7
69.07063	3.6
70.06601	17.4
71.47848	1.5
72.08158	4.2
73.02917	4.1
74.06084	16.1
78.31998	1.3
81.03419	4.1
81.69577	1.3
84.04512	19.1
84.08138	12.0
84.96010	1.5
85.02914	19.8
86.09710	51.2
87.04468	2.0
87.10020	2.3
88.03987	2.6
91.05463	2.6
93.07040	2.0
93.15868	1.4
94.06570	4.7
95.04989	3.0
96.08087	1.4
97.02898	8.3
98.97575	12.6
99.04471	1.7
101.07160	4.9
102.05573	7.9
107.04963	12.3
108.08134	7.0
109.02895	2.6
110.06042	4.2
110.07174	2.6
110.97587	4.3
112.03968	1.6
112.07620	1.6
116.07106	13.6
116.98624	4.6
120.06599	9.9
120.08102	2.6
122.02718	1.5
122.06033	17.9
123.04420	4.0
124.07602	2.7
127.03921	5.7
128.98608	2.1
129.10197	3.6
130.05052	3.0
132.10204	6.7
132.95822	1.6
135.04398	1.5
136.06206	5.7
136.07588	18.3
137.06001	3.9
138.09094	1.7
139.07538	1.9
140.07076	31.6
143.00227	1.8
143.11795	2.9
145.04979	3.5
146.02278	1.6
148.06015	2.2
152.10623	1.7
154.08618	13.5
158.99669	4.6
164.05907	1.8
164.07048	8.8
165.05450	4.4
175.11919	1.4
177.00658	2.5
182.08121	27.7
183.06575	2.5
185.09282	2.2
187.14417	18.8
197.12917	5.1
200.09184	100.0
201.12381	5.6
203.10312	1.7
208.08437	5.6
213.08733	4.3
215.13892	17.0
219.01778	5.9
219.11623	1.8
231.09743	4.8
233.14983	2.7
235.07509	1.5
236.05707	1.4
236.07863	9.6
237.02853	4.3
240.07350	4.0
243.13409	4.6
253.10571	5.4
261.75726	1.5
281.10071	1.6
282.08408	4.2
298.12714	4.7
299.10989	7.1
316.13535	1.9
321.08572	2.3
326.17117	3.2
344.13168	4.6
362.14761	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	362.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
56.05030	4.0
57.03426	1.0
60.04514	1.2
64.22415	0.9
67.05492	1.2
69.03416	1.8
69.07063	4.4
69.64267	1.0
69.93773	4.4
70.06594	45.7
72.08156	56.6
73.08511	1.3
74.06067	1.4
81.03386	1.1
81.07056	1.2
84.04483	4.8
84.08148	6.2
85.02894	2.7
86.09707	53.9
91.05483	2.2
93.07047	1.1
94.73159	1.1
95.08606	2.9
103.05472	3.5
104.05323	2.7
106.04894	1.1
107.04964	1.9
110.07162	4.1
116.07094	77.0
117.07358	1.1
120.08105	100.0
121.08444	1.5
129.10246	2.7
130.05040	1.8
130.08658	7.3
132.10181	1.1
133.03137	1.0
137.05963	2.1
137.09590	1.7
147.04401	0.9
150.05844	3.7
153.17574	0.9
154.06424	0.9
165.07008	1.0
181.06311	1.2
181.07657	5.0
182.07979	13.4
183.10188	5.0
185.09406	1.2
185.16499	22.5
199.08710	8.3
200.09044	14.8
200.12840	3.3
201.85072	1.3
211.07573	1.8
212.08301	1.5
213.09103	1.5
213.15976	7.7
215.13809	1.5
219.14943	34.5
220.15182	1.2
227.70052	1.0
240.07761	5.4
241.08640	1.8
243.10167	3.0
245.06322	2.1
247.14467	9.4
249.12498	4.3
273.05801	8.6
328.09027	1.0
362.14807	6.5
362.21344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.5
56.05031	3.7
61.01136	2.4
67.05479	1.6
68.05003	1.3
69.03429	2.8
69.07063	4.0
69.70386	6.3
70.06595	44.0
72.08157	56.0
73.08482	1.2
74.06082	2.1
82.06578	1.5
82.69009	1.0
84.04493	3.8
84.08158	5.5
85.02889	3.3
86.09707	55.7
87.10044	1.6
91.05461	1.3
93.07040	1.7
95.08579	2.5
97.02887	1.6
103.05512	2.0
104.05286	1.4
107.04985	1.6
110.07166	4.0
116.06260	2.4
116.07097	67.5
120.08105	100.0
121.08415	1.7
129.10233	2.3
130.05051	1.1
130.08632	5.2
137.05998	1.7
137.09639	2.3
145.05043	1.0
150.05830	3.1
181.07661	5.1
182.07976	12.0
183.10205	4.2
185.16476	20.7
197.06030	1.8
199.08649	7.1
200.09039	13.6
200.12799	2.9
211.07541	1.3
213.15987	8.8
214.23312	1.2
219.14935	32.5
240.07854	6.3
241.08585	1.4
243.10217	3.6
247.14453	9.4
248.91080	1.1
249.12590	4.0
273.05777	7.5
362.14053	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	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
55.47858	0.2
56.05026	0.3
57.07078	8.5
58.06601	2.5
60.20317	0.2
67.05485	0.6
68.05016	0.5
69.07047	0.4
69.69066	1.4
70.06594	18.9
70.75824	0.2
71.04967	0.9
71.08636	3.8
72.08149	0.5
81.07028	0.6
84.08117	0.7
85.10163	1.0
86.09666	0.7
88.07632	26.1
89.05972	0.7
102.09182	18.3
107.04924	0.4
114.09155	0.6
123.11665	0.3
132.10184	0.9
155.14293	0.4
173.11777	0.5
176.12784	0.8
190.14386	0.5
210.22244	0.2
212.23727	1.0
213.05440	0.3
238.25188	0.3
256.07358	1.9
256.26352	62.0
257.22174	0.2
257.26660	1.1
318.08414	0.9
344.31622	5.1
347.08670	1.3
362.11090	4.1
362.32642	100.0
363.12125	2.2
363.32944	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
53.56165	2.4
55.01873	9.5
55.05512	32.1
57.03160	4.9
57.03441	100.0
60.12987	2.6
65.03933	3.0
65.51115	2.9
67.05508	53.6
69.03437	5.4
69.07067	10.9
69.34083	6.4
69.34495	13.6
71.04996	5.4
79.05498	45.9
81.03419	2.6
81.07061	38.6
83.04984	72.4
83.08612	6.9
85.06548	5.8
91.04920	2.5
91.05489	51.2
93.07050	41.0
95.04983	16.7
95.08611	24.4
97.06525	6.0
97.10178	2.7
99.04472	5.6
103.05434	2.8
105.03385	2.4
105.07046	30.9
107.04961	78.3
107.08597	23.3
108.05755	3.2
109.06503	24.6
109.10157	16.2
111.04446	40.8
113.06005	8.4
115.05468	4.7
116.06229	2.4
117.07021	18.8
119.04904	3.5
119.08591	21.1
119.76619	2.5
121.06523	12.9
121.10150	8.8
123.04432	5.3
123.08057	5.1
125.06013	5.5
128.06262	3.4
129.07031	12.7
131.04967	4.3
131.08562	24.3
132.47256	2.7
133.06494	13.5
133.10155	15.0
135.08055	23.0
135.11687	8.8
137.05969	5.2
137.09601	5.0
139.07544	2.8
141.06992	6.5
143.08583	10.4
145.06487	12.0
145.10146	21.4
147.08076	17.9
147.11679	5.9
149.05994	10.2
149.09659	5.8
151.07553	5.5
155.08560	6.6
157.10138	7.9
159.08049	16.8
159.11652	11.9
161.05960	2.2
161.09616	13.3
161.13226	4.2
163.07544	10.0
163.11171	7.6
166.89040	2.3
169.10114	5.0
171.11719	10.6
173.09698	6.1
173.13283	5.5
175.11183	5.3
177.09102	5.0
177.12747	9.2
183.07951	3.0
183.11708	5.3
185.13266	3.7
187.11177	5.3
187.14862	8.0
189.12750	7.0
197.13266	8.3
201.09003	3.0
205.15898	16.4
215.14340	10.9
225.16302	3.2
233.15384	39.5
233.17523	3.2
235.14597	2.6
243.17444	15.5
253.16019	2.6
261.18506	19.9
271.16971	17.1
289.17987	43.8
363.11972	7.2
363.21722	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05515	8.8
55.95886	0.8
57.03439	1.9
57.07087	5.5
62.73839	0.8
67.05511	10.8
68.94349	1.3
69.07073	15.6
69.36353	3.2
69.36779	4.7
71.04989	1.6
71.08626	3.2
72.08147	2.7
73.15365	0.9
79.05492	8.3
81.07069	16.6
83.04987	1.8
83.08620	6.2
85.06547	2.2
89.06043	5.2
91.05489	6.3
93.07056	10.3
95.04963	1.8
95.08614	16.8
97.06544	4.1
97.10169	2.8
99.08086	2.4
105.07063	6.4
107.04945	1.2
107.08594	10.8
109.06516	11.6
109.10152	6.9
110.85638	0.9
111.08081	2.9
117.07044	1.8
119.08576	10.1
121.06559	1.5
121.10160	7.3
122.07293	1.4
123.08076	73.0
123.11700	4.1
124.08398	0.9
131.08549	1.5
133.08614	2.8
133.10117	5.4
135.08063	5.8
135.11710	2.6
137.09654	6.1
137.13226	1.4
143.08588	1.6
145.10150	4.8
147.11679	4.1
149.09615	1.7
149.13243	3.7
151.07544	3.6
157.10121	1.0
159.08104	1.1
159.11668	3.2
161.13252	1.7
163.11185	1.7
165.12775	3.2
167.14326	1.4
169.10118	1.1
171.11673	1.7
173.13318	1.1
177.12698	1.1
179.14323	17.9
199.14909	1.4
213.05609	1.1
213.16385	1.3
233.15221	1.0
251.04803	1.8
256.07401	6.2
275.20154	2.0
295.22635	1.7
303.26981	1.1
307.22699	11.2
331.26370	4.1
363.12064	8.4
363.28961	100.0
364.29294	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81755	6.6
55.05505	25.2
55.49371	6.6
57.07069	12.0
67.05505	33.4
69.03420	12.6
69.07076	38.1
70.03749	28.6
71.08652	11.3
76.00584	6.8
79.05495	30.4
81.07052	100.0
83.08619	15.6
85.06554	14.7
91.05500	11.2
92.42044	6.6
93.07034	38.2
93.28064	6.8
95.05002	10.8
95.08609	83.1
97.06520	12.1
103.05501	7.1
105.07030	12.5
107.04976	22.2
107.08601	31.1
109.10164	52.6
121.06545	14.4
121.10162	39.3
123.11705	54.1
131.08551	8.3
133.10202	8.3
135.11681	15.4
137.05960	9.3
137.13251	25.8
139.11223	8.6
145.10101	10.2
149.13245	26.4
151.14838	9.8
153.12729	12.1
161.13274	7.8
163.14816	15.8
167.07025	10.0
177.16518	14.4
181.05016	7.1
181.08653	15.8
187.14868	12.6
217.19516	8.5
291.26865	26.9
363.12207	16.8
363.16840	7.2
363.26480	7.0
376.30499	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	364.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05515	26.6
57.07081	1.4
59.36202	1.0
60.08166	5.9
65.03934	3.0
67.05508	64.2
68.41823	1.2
69.07070	25.6
69.72351	6.7
71.04993	2.8
73.02884	1.4
79.05497	41.7
81.07061	50.4
83.08618	10.2
85.06537	2.2
86.09681	2.3
87.08174	1.5
91.05484	15.6
93.07051	43.1
93.07642	2.2
94.12614	1.1
95.07990	1.8
95.08613	37.2
97.06541	1.8
97.10173	2.9
99.04485	2.9
105.07040	9.3
107.08595	23.2
109.06533	1.3
109.10163	11.5
117.06983	1.3
119.08601	6.6
121.10152	14.3
123.11691	2.4
131.08546	2.0
133.10126	4.7
135.11696	7.0
135.95399	1.1
147.11705	1.9
149.13261	4.7
163.14796	1.2
219.66870	1.1
305.24774	90.0
306.25220	1.7
364.32117	100.0
365.32458	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	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30481	1.7
56.96562	3.8
61.79639	1.6
69.03432	2.4
70.87464	1.5
70.98128	1.3
72.40936	1.3
84.04577	1.6
84.08146	3.4
84.93922	1.7
85.02908	3.5
93.06514	1.7
98.97578	15.2
101.00884	6.0
110.97560	3.4
112.99171	2.0
115.02445	2.1
116.98615	3.2
119.01948	5.9
124.95493	3.1
127.02402	1.8
128.98602	3.7
129.04092	1.5
131.01920	2.9
131.05614	1.3
133.03471	1.8
143.01912	8.5
145.03476	3.9
146.99658	2.3
155.01909	5.4
158.99658	3.3
159.04973	1.5
161.02986	5.4
167.01906	2.0
169.03487	2.1
169.04993	1.4
170.96028	3.4
170.99719	1.7
173.01651	1.7
173.02931	9.7
174.99168	1.8
184.90556	1.5
184.97566	3.0
185.02936	4.6
185.04381	9.4
188.97050	4.8
189.00734	3.4
192.22145	1.7
197.03014	2.3
202.98618	3.0
203.05399	15.1
217.00244	2.2
219.01697	3.3
221.03258	2.2
221.05185	2.5
230.98131	6.4
237.02849	4.0
244.99733	2.8
245.05121	15.8
263.00787	5.1
263.06186	3.4
265.38599	1.5
272.32840	1.6
291.09143	1.8
305.10941	2.5
322.64890	1.8
365.08041	100.0
366.08932	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72438	2.4
57.87432	2.5
69.78559	13.0
79.73349	2.0
101.00867	3.7
129.57742	2.1
132.12085	2.2
173.02983	4.1
179.37994	2.4
185.02829	3.6
185.04230	25.0
203.03418	3.8
203.05283	62.9
203.07129	4.9
204.65077	2.2
245.05098	9.6
285.76163	2.4
365.08704	90.0
365.10214	100.0
366.10965	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.1
71.45702	1.7
82.42878	1.2
84.08134	1.2
84.72113	1.2
98.97610	8.4
101.00882	4.4
110.97587	2.4
116.98590	1.9
119.01927	5.1
124.95480	1.3
128.98586	2.7
131.01926	3.9
143.01909	5.2
152.95012	1.4
155.01883	3.2
157.03531	1.5
161.02927	2.6
170.96013	3.3
173.02971	6.0
184.97505	1.7
185.02884	6.6
185.04236	22.3
188.97009	2.7
189.00806	2.6
193.00131	2.1
197.02963	2.7
202.98695	1.5
203.05304	50.7
215.04037	1.7
217.00014	1.4
221.63937	1.1
230.98215	5.4
237.02780	2.1
238.82747	1.2
244.99713	2.1
245.05119	15.1
248.99355	1.5
257.04837	1.8
263.00784	3.1
263.06073	2.1
347.27997	1.2
365.10785	100.0
366.11374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32505	0.6
56.95061	0.7
57.23948	0.6
71.47748	1.1
79.00948	0.6
82.96506	0.7
83.84379	0.7
98.56986	0.6
101.00884	2.0
113.00906	0.7
119.01897	1.6
130.97359	0.6
131.01924	1.6
137.09119	0.6
143.01851	2.5
155.01918	1.7
156.42349	0.7
161.02943	1.5
167.01947	0.7
173.03011	2.6
173.77701	0.8
179.25589	0.8
185.03050	1.9
185.04259	26.0
197.02940	1.4
203.05284	54.6
237.84300	0.7
245.05092	5.8
263.06039	1.2
268.82654	0.6
275.06418	0.7
365.10999	100.0
366.10840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.8
59.10616	0.8
70.69784	2.0
70.79961	0.8
73.32121	0.9
84.96022	0.9
85.02914	1.3
91.59412	1.0
97.02901	1.2
98.97579	9.1
101.00877	3.0
107.04965	1.2
110.97568	3.1
116.98625	1.9
119.01928	4.2
124.95482	1.7
128.98640	2.7
131.01872	3.2
137.72772	1.0
141.34126	1.0
142.96515	1.4
143.01897	4.7
145.03488	2.1
146.99648	2.0
152.94817	1.0
155.01862	2.9
161.02969	2.9
167.01944	1.1
168.97812	1.0
170.96007	1.5
170.99658	1.5
173.02934	3.7
184.97614	2.2
185.02940	2.8
185.04271	23.3
188.97078	2.9
189.00705	2.2
197.02888	2.3
202.98650	2.2
203.05305	54.0
207.01752	1.0
212.97168	1.4
215.04088	1.5
217.00273	1.1
220.99553	1.1
221.05087	1.7
227.04042	1.2
230.98145	2.7
231.57680	1.0
237.02773	1.2
244.99739	1.6
245.05119	12.5
255.03523	1.1
263.00696	2.6
263.06195	2.4
365.10776	100.0
366.10828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.7
56.96566	33.7
57.03449	1.7
59.46093	1.6
63.01963	1.3
69.03418	6.1
69.07072	2.0
69.50661	4.0
69.51086	4.7
70.06596	7.5
71.95276	1.4
72.08140	3.0
74.97574	1.9
81.03412	1.6
83.04973	2.2
83.06122	1.3
83.38461	1.2
84.04504	4.7
84.08143	19.8
84.96038	12.4
85.02911	7.6
86.09705	4.8
87.04483	1.7
96.04513	2.3
97.02892	5.3
98.09642	1.4
98.21489	2.6
98.97588	80.5
102.97062	1.8
104.05341	1.6
107.04975	8.2
109.02832	1.7
110.07175	1.7
110.97574	35.2
112.99125	5.6
113.32574	1.3
115.00700	1.5
116.98624	26.5
119.04887	1.7
120.08128	7.0
122.07109	4.6
123.04417	7.4
124.07586	1.4
124.99101	1.9
126.97083	2.6
127.03913	2.4
128.98607	23.3
129.10257	17.1
130.05046	1.8
130.06519	2.5
131.00153	4.2
134.99655	3.8
140.07024	1.5
140.41522	1.2
140.98605	4.0
141.02228	6.4
143.00165	8.9
143.03802	2.5
144.04785	3.8
144.98073	6.0
146.99657	7.6
147.04395	1.5
147.07657	3.1
152.98634	2.1
157.01830	1.6
157.07619	1.4
158.99681	21.1
159.03287	18.7
160.12556	1.3
161.01231	7.1
161.04858	13.7
170.99632	7.4
175.02774	2.0
176.08095	2.2
177.00732	19.2
177.04361	11.6
179.00128	1.8
179.05925	9.1
183.03363	1.9
185.04274	3.3
189.00737	6.2
189.04317	2.9
201.00739	5.8
201.04352	2.6
203.03772	2.3
203.05769	14.1
203.07820	2.4
204.07649	3.0
204.12413	3.2
207.05389	1.6
215.05846	1.9
219.01765	46.2
221.06955	5.6
222.08803	7.4
227.05898	1.9
231.05559	1.6
234.99019	1.9
237.02817	64.0
239.02261	3.2
243.05519	1.7
245.07011	2.9
248.85091	1.7
253.03612	3.2
255.03773	2.4
258.05612	1.3
263.07990	1.5
279.07532	5.1
287.05389	1.7
303.07520	2.9
305.09070	90.3
321.08536	4.5
323.10135	100.0
324.10458	1.9
346.11716	3.4
361.02469	2.7
365.05551	3.1
365.10733	33.0
365.21948	3.6
370.83780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45953	0.9
56.05011	1.3
56.80175	0.8
56.96569	10.9
60.04500	1.1
60.95836	1.2
61.02914	1.0
67.43191	0.8
69.03427	2.0
70.06573	3.1
70.98121	2.1
70.99867	1.3
71.48231	0.8
71.95260	1.6
72.08173	1.2
77.00919	0.9
82.06565	1.1
82.99853	1.4
83.85232	0.8
84.04500	1.3
84.08131	1.8
84.96019	1.3
85.02905	2.6
86.09686	1.6
88.99139	1.2
89.55408	0.8
94.99925	1.0
95.65599	0.9
96.04443	1.2
97.01402	1.5
97.02878	2.3
97.04883	1.2
97.06547	0.8
98.97590	26.8
100.00161	1.0
100.37436	0.8
101.00893	10.5
103.02454	1.2
106.26470	0.8
107.04951	3.5
108.05244	1.0
110.07182	1.5
110.97583	7.1
112.07595	1.5
112.99131	1.5
113.00857	8.7
115.02404	4.2
116.98631	7.9
117.03995	1.2
119.01938	7.7
124.95486	5.4
125.00827	1.0
125.04467	1.0
127.02406	2.9
128.98602	6.6
129.04042	2.0
129.06554	0.8
131.00233	1.2
131.01915	13.2
131.05544	2.9
133.03453	3.2
133.29047	0.8
135.05028	1.0
136.06157	5.0
137.00858	1.6
141.03952	1.8
142.96523	2.3
143.00179	2.0
143.01920	5.2
143.05534	7.6
145.03468	6.4
146.99651	3.3
147.04997	1.2
149.02957	1.4
149.06587	1.4
150.03838	0.9
152.02501	1.0
152.05711	0.9
152.94960	1.3
155.01886	12.8
155.05586	1.1
156.02692	1.4
157.03473	3.5
158.99623	3.6
159.03355	1.3
159.05019	3.7
161.02986	4.1
161.06606	41.3
162.06831	1.9
167.01984	1.3
167.05540	2.8
169.03543	0.9
170.96010	4.7
170.99669	2.0
171.05029	2.2
173.02953	9.9
173.06609	5.1
174.99168	3.6
175.02657	0.9
175.04585	1.3
177.00745	1.8
178.01192	1.4
179.05553	0.9
179.06015	1.0
179.07635	8.9
180.02992	1.1
181.03421	0.9
184.97571	4.5
185.01373	1.3
185.02823	4.5
185.06598	12.5
186.06737	0.9
187.04428	1.0
187.08147	2.0
188.97096	6.8
189.00732	5.3
189.06087	2.2
192.03682	2.7
193.00192	2.7
196.02058	1.3
197.02992	1.6
197.06609	8.0
199.04523	1.2
199.08188	4.9
201.00804	1.8
201.06125	1.4
202.06841	1.0
202.98663	4.5
203.03708	4.0
203.05592	2.5
203.07634	36.3
204.07838	1.5
206.53514	0.9
206.98166	1.5
207.01714	2.1
209.06525	1.4
210.04758	5.8
211.08208	1.1
212.97124	2.8
213.06029	1.0
215.07655	47.2
216.07828	1.8
217.00316	1.5
217.09198	8.2
219.01807	3.3
220.99736	2.2
221.05035	13.0
227.04129	1.2
227.07640	4.0
228.08356	1.0
229.09207	2.0
230.98112	9.9
234.04712	6.9
235.01230	2.3
237.02840	3.8
239.07666	15.6
244.99678	3.7
245.05096	9.1
245.08702	4.1
248.99149	2.0
252.05759	6.6
255.03947	1.6
257.08551	2.1
260.98975	1.2
261.08374	1.5
263.00729	6.5
263.03482	1.3
263.06284	2.0
269.08655	1.1
272.99225	1.0
275.09787	1.9
281.04926	1.0
287.09918	5.3
305.10828	100.0
306.10999	3.9
323.06195	1.4
323.11914	28.7
333.01477	1.1
365.06436	1.3
365.12814	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	365.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	3.4
55.05500	3.0
56.05020	2.5
57.03417	1.0
58.99573	2.0
60.97675	0.7
61.01159	1.2
65.71592	0.8
67.05507	4.8
68.05021	1.6
69.07056	1.2
70.20776	2.3
70.21147	1.2
75.83054	0.8
76.02228	1.5
76.04031	1.0
79.05494	16.8
80.05000	1.5
81.07057	10.8
82.06562	3.5
83.04958	0.8
83.08605	0.9
84.04515	3.8
85.01131	20.3
85.04048	0.8
86.00658	8.3
86.61943	0.7
86.99049	0.8
87.02602	0.8
88.02206	1.6
91.05471	3.5
93.07066	3.6
94.06556	1.7
95.04967	2.7
95.08595	1.9
96.08150	3.6
97.01135	1.0
97.08896	1.9
98.09709	8.8
105.04483	1.1
105.07016	4.0
107.04956	89.3
107.08578	2.6
108.05273	1.2
108.08134	1.1
109.06519	1.5
109.10117	0.9
110.09676	3.8
111.04359	0.8
112.03984	4.1
113.03451	1.8
113.04230	28.8
116.01694	5.0
119.08562	1.1
122.09681	3.3
123.10474	1.3
130.05006	11.9
131.08588	1.0
133.10126	3.1
135.08061	1.6
139.05737	1.7
143.02722	1.6
144.01083	1.1
145.10071	1.0
149.09592	1.0
151.11226	1.2
156.07166	1.0
156.08418	19.1
156.10201	13.1
161.09746	0.9
162.02150	1.9
177.03285	2.7
182.61484	0.7
189.03293	3.1
242.08484	11.3
253.14400	0.8
259.11121	100.0
260.11475	1.7
273.18488	3.2
291.19458	1.8
365.14429	1.2
365.23260	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44755	1.0
53.03936	3.5
55.01880	9.4
55.05512	25.6
57.03439	30.6
65.03944	2.1
66.27298	1.1
67.05507	44.4
69.03442	10.3
69.07072	52.7
70.03864	1.4
70.04192	4.7
71.04997	3.4
79.05496	31.1
79.49312	1.2
81.03410	4.7
81.06594	2.1
81.07057	30.3
83.04983	5.2
83.08617	9.2
85.01140	2.0
85.06548	14.0
91.05486	18.7
93.07044	20.3
95.04974	25.9
95.08612	14.8
97.02907	9.7
97.06536	5.9
97.10175	13.5
100.20795	1.4
105.07044	13.5
107.04955	17.2
107.08604	16.7
109.06521	19.3
109.10201	8.7
111.08079	3.6
113.04237	3.7
113.06013	35.2
115.05428	1.8
117.07028	9.4
119.04950	1.4
119.08578	12.7
121.06502	3.3
121.10134	6.1
123.08076	5.7
125.09627	11.2
127.07574	4.2
129.05428	1.7
129.06981	3.2
131.08562	9.1
133.06448	1.8
133.10107	5.4
135.08069	14.9
135.11707	4.9
137.09618	3.5
143.08543	5.6
145.10149	8.7
147.08051	4.3
147.11708	6.0
149.09619	4.1
149.13281	3.2
153.09164	2.2
155.08438	1.2
156.08368	1.5
157.10107	4.6
159.08141	2.4
159.11676	4.4
161.09624	5.3
161.13075	1.3
163.11145	3.0
165.09142	2.9
171.10158	2.8
171.11703	3.4
173.13275	2.3
175.11183	2.5
177.12767	3.3
179.52370	1.5
187.11279	1.4
189.11223	5.2
189.12733	1.7
195.13864	2.1
199.14865	1.3
205.12210	2.0
217.15900	4.8
219.74702	1.5
223.13297	17.4
245.18965	2.5
249.14920	1.7
255.17371	1.8
259.11115	10.2
273.18488	22.2
288.87805	1.3
291.19559	100.0
292.19891	1.3
365.23254	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01873	5.6
55.05513	28.9
57.03442	8.1
59.93023	0.8
63.03833	1.0
65.03924	1.7
67.05506	31.0
69.03425	9.0
69.07069	36.7
69.48070	2.8
69.48493	4.1
71.04973	1.7
79.05497	24.7
81.03435	4.9
81.07058	22.1
83.04971	4.9
83.08616	10.1
91.05478	16.4
93.07048	17.1
95.04958	7.4
95.08599	10.6
96.29046	0.9
97.02890	15.1
97.06516	3.7
97.10177	15.6
98.20712	1.1
105.07027	10.6
107.04949	9.6
107.08585	13.4
109.06521	3.3
109.10171	9.2
111.08066	2.3
112.05127	0.9
113.19022	0.9
115.05408	1.3
117.06967	4.7
119.08593	11.8
121.06512	3.4
121.10175	4.7
123.08044	3.5
123.11732	1.0
125.09637	14.3
129.05493	1.1
129.06966	2.7
131.08568	6.9
133.06499	1.7
133.10136	4.5
135.08035	3.8
135.11713	3.4
137.09607	2.9
143.08537	1.3
145.10143	4.8
147.08046	5.2
147.11694	2.2
149.09665	2.1
153.12729	1.0
157.10118	1.9
159.11674	2.6
161.09621	2.5
165.09177	2.1
175.11189	1.8
177.12724	2.4
189.11259	4.5
195.13776	2.4
205.12245	2.5
223.13289	29.9
227.12846	1.4
227.18079	1.4
237.16374	1.2
245.19016	1.7
259.11014	1.3
263.20001	1.3
273.18503	15.0
291.19553	100.0
292.19830	2.4
322.20212	0.9
355.42261	1.1
365.23221	40.8
366.23239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99610	1.2
53.03946	5.0
55.01880	11.1
55.05513	36.6
56.96574	1.3
57.03441	16.7
57.07066	2.2
59.04981	1.8
65.03933	2.0
67.05508	39.2
67.91469	1.6
69.03443	13.4
69.07073	65.2
69.93594	1.6
71.04987	2.8
71.21549	2.5
71.39352	1.4
72.05589	1.4
77.27790	1.7
79.05494	41.2
81.03422	10.5
81.07059	35.0
83.04977	6.9
83.08630	12.7
85.06557	4.1
91.05488	25.5
93.07050	29.6
95.04976	11.5
95.08625	17.3
97.02879	12.5
97.06537	7.5
97.10174	20.0
99.04465	1.5
99.08094	1.7
105.04513	1.6
105.07038	21.6
107.04980	12.3
107.08598	24.4
109.02891	1.4
109.06525	5.9
109.10165	18.0
111.04446	2.8
111.08084	2.2
115.05526	1.6
117.07016	11.2
119.08588	16.2
121.06522	5.8
121.10150	9.9
123.08071	7.7
123.11669	2.0
125.09640	18.8
129.07004	4.2
131.04909	1.4
131.08595	10.3
133.06488	4.9
133.10150	15.0
135.08063	9.7
135.11696	5.2
137.09615	3.0
143.08580	4.1
145.10152	7.3
147.08015	7.8
147.11714	5.3
149.09612	6.3
149.13275	5.4
151.11162	6.6
151.69640	1.3
153.09111	3.9
157.10129	6.6
159.08087	2.5
159.11719	4.1
160.92731	1.5
161.09651	5.1
163.11192	3.8
165.09079	3.8
171.10167	1.6
171.11699	3.2
173.13278	2.4
173.21016	1.4
175.11218	4.3
177.09128	2.5
177.12790	3.0
179.10832	2.0
189.11198	7.1
197.88011	1.3
203.03391	1.4
205.12347	2.3
206.11031	1.4
218.23050	1.4
223.13310	24.7
227.17897	2.6
239.85353	1.5
245.19057	3.7
249.14963	2.5
253.14398	1.9
255.17633	2.7
263.19977	2.3
273.18500	25.0
291.19556	100.0
292.19910	2.9
334.52631	1.7
340.60306	1.3
347.13043	2.3
365.23279	48.3
365.28021	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.7
55.01872	17.0
55.05515	48.2
57.03201	2.0
57.03440	23.3
57.07063	3.0
58.54009	1.7
64.19630	1.7
65.03925	5.1
65.78201	1.6
66.63161	1.7
67.05507	70.1
69.03435	15.4
69.06733	2.8
69.07072	40.3
69.83025	5.6
69.83440	5.0
71.04992	5.7
79.05494	68.2
80.83570	1.8
81.03432	10.9
81.06599	4.0
81.07056	67.1
83.04992	18.6
83.08627	20.3
85.06544	6.6
91.05483	67.4
93.06491	3.3
93.07049	55.4
95.04974	20.0
95.08611	33.0
97.02888	16.5
97.06528	9.5
97.10170	15.3
101.88519	1.6
105.04490	2.6
105.07035	52.0
107.04958	40.2
107.08595	41.0
109.06522	11.6
109.10162	33.3
111.04445	3.9
111.08081	9.3
115.05425	2.1
116.06225	2.2
117.07021	18.0
119.04904	3.7
119.08595	27.6
121.02892	1.9
121.06503	14.0
121.10155	17.8
123.04424	2.4
123.08073	8.2
123.11700	4.4
125.09636	11.4
128.06197	3.2
129.06984	7.6
131.04967	2.3
131.08583	23.7
133.06482	17.3
133.10136	54.2
135.08043	22.8
135.11717	10.1
137.05904	2.0
137.09602	8.9
139.07564	2.8
141.06908	2.4
143.08563	10.3
145.06479	2.1
145.10123	12.6
147.08057	9.7
147.11682	8.8
149.09615	21.7
149.13246	4.3
151.07599	2.0
151.11165	25.6
155.08527	1.9
157.10135	6.9
159.08044	6.5
159.11687	5.2
161.09619	12.6
161.13271	3.4
162.10306	2.1
163.11166	4.4
165.09082	4.9
169.10126	2.0
169.12242	2.9
171.08043	2.2
171.11560	4.3
173.09569	2.7
173.11815	2.5
175.11139	7.9
177.09114	8.0
177.12752	2.8
179.10706	2.8
185.09669	2.2
185.13225	3.2
185.94768	1.8
187.11360	2.1
189.11205	6.4
189.12741	4.2
195.10231	2.4
199.11101	2.4
199.14763	2.5
203.14290	2.9
205.12265	3.2
223.13292	27.4
227.17894	4.7
245.18980	8.5
249.15002	1.8
253.14388	9.8
255.17456	4.5
263.20029	8.5
269.13855	5.5
273.18530	42.9
291.19550	100.0
347.13113	2.1
347.22089	5.5
365.09976	2.6
365.13962	2.9
365.23209	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30016	2.0
53.03940	12.6
55.01870	17.4
55.05513	30.5
55.76609	1.9
56.16280	2.2
57.03439	23.9
57.07067	5.7
59.04992	4.0
65.03938	4.1
67.05504	83.2
68.61267	2.0
69.03411	7.2
69.07070	26.3
70.77620	3.6
70.77959	3.4
71.04971	6.7
77.03930	3.1
79.05022	3.5
79.05489	72.1
81.03423	12.8
81.07055	100.0
83.04995	16.7
83.08624	12.4
85.06536	9.3
91.05480	91.7
93.07044	75.7
95.01339	3.6
95.04974	18.9
95.08614	40.2
97.06520	10.3
97.10162	2.4
103.05463	2.8
105.07033	66.5
107.04951	21.5
107.08590	55.7
109.06488	13.2
109.10157	44.3
111.04433	4.9
111.08063	11.4
113.09652	3.4
115.05467	3.9
117.07031	14.7
118.46555	2.1
119.08572	24.0
121.06519	11.8
121.10149	26.8
123.04398	4.0
123.08074	8.4
123.11696	9.1
127.97445	2.3
128.06236	4.0
129.06979	8.7
131.08574	28.5
133.06494	19.4
133.10129	91.2
135.08051	19.6
135.11676	16.2
137.06018	2.7
137.09636	5.5
139.07547	5.7
141.06981	3.1
142.07768	2.6
143.08566	11.4
145.10115	10.4
145.91757	2.0
147.08014	7.5
147.11719	11.5
149.09615	25.6
149.13306	4.2
151.11189	40.6
157.10097	5.8
159.08032	7.7
159.11723	6.7
160.35275	2.1
161.09631	14.7
161.13251	7.6
162.92415	2.2
163.11203	6.2
165.09198	4.5
165.12714	2.7
166.32793	2.0
169.12238	4.7
171.11713	11.1
173.13280	3.8
175.11208	7.2
175.14746	2.3
177.09065	11.2
177.12778	2.1
179.10710	4.6
179.14297	5.2
185.13313	4.6
187.14857	2.3
189.12679	3.7
203.14233	2.6
207.13771	3.1
215.12752	3.6
216.27225	2.3
223.13403	3.3
227.18033	2.5
242.89326	2.1
245.19019	9.9
251.12721	2.1
253.14378	27.4
255.17320	6.5
259.20508	6.8
263.20007	14.4
269.13815	5.9
273.18521	35.3
291.19498	22.3
311.74615	2.6
347.22208	3.2
365.10507	3.5
365.23221	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01873	7.8
55.05510	8.1
55.23520	0.7
57.03437	51.7
57.07065	2.1
65.03931	3.6
67.05505	46.3
69.03420	1.9
69.07068	4.4
69.26277	6.8
71.04990	5.6
77.03921	1.0
79.05492	24.8
81.03434	3.5
81.07053	19.9
83.04968	2.6
83.08607	2.2
84.95087	0.8
85.06544	39.5
91.05482	23.0
93.07047	20.2
95.04971	55.0
95.08609	11.6
96.05320	1.0
97.06529	3.1
97.10183	0.8
98.21535	1.3
99.04474	0.9
99.08077	1.1
103.05463	1.0
105.04527	0.9
105.07034	14.8
107.04958	13.1
107.08597	12.8
109.06519	49.7
109.10162	3.1
111.08098	1.5
113.06005	100.0
115.05461	2.0
117.07027	9.8
117.21695	0.7
117.91356	0.8
119.06059	0.7
119.08576	9.9
121.06502	5.1
121.10150	5.3
123.08103	2.6
125.09618	1.4
128.06245	1.8
129.07004	6.2
131.08571	14.9
133.06493	1.9
133.10115	7.6
135.08058	33.7
135.11676	6.7
136.08351	1.0
137.09645	1.2
141.07007	1.9
141.09152	0.7
142.07730	1.2
143.08554	6.0
145.06503	2.0
145.10129	8.2
147.08078	3.7
147.11719	2.2
149.09616	5.5
149.13283	2.5
151.11142	0.9
155.08508	1.2
157.10172	4.3
159.08058	2.0
159.11688	5.7
161.09622	8.6
161.13263	1.4
163.07639	0.8
163.11191	2.7
165.09077	2.0
169.10159	2.0
171.11710	3.3
173.09692	0.9
173.13229	3.2
175.11183	2.2
177.12738	3.4
181.10132	1.6
183.11734	2.2
185.09592	1.4
185.13292	1.7
187.11159	1.5
189.11157	0.9
189.16414	0.8
192.17630	0.7
195.11697	1.4
199.11162	1.2
199.14810	4.6
201.12733	1.9
217.15880	14.1
219.13821	1.4
227.17900	1.4
233.15326	1.5
237.16339	1.4
245.19083	2.2
255.17519	3.1
273.18506	21.9
291.19550	28.3
365.23184	8.6
389.48083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03941	6.5
55.01871	16.8
55.05510	27.8
57.03164	0.9
57.03438	17.4
57.07064	1.0
65.03940	3.1
67.05505	39.2
69.03426	4.7
69.07071	11.4
71.04987	6.2
71.42899	1.0
79.05497	57.0
81.03417	6.4
81.07059	100.0
83.04493	1.7
83.04980	31.7
83.08617	9.9
85.02907	13.9
85.06537	2.6
91.05480	29.7
93.03403	1.1
93.07046	46.5
95.04970	16.4
95.08606	17.0
97.06510	7.6
97.10180	9.3
99.04461	7.7
99.08092	2.2
103.05453	1.9
105.04501	2.2
105.07035	25.5
107.04961	14.1
107.08595	21.1
109.06519	35.6
109.10155	13.2
111.04444	42.4
111.08080	11.6
113.05948	1.1
113.72551	0.9
115.05444	1.7
115.85149	0.9
116.06233	1.1
117.07016	15.9
119.04912	2.1
119.08588	36.2
121.06528	13.6
121.10137	19.0
123.08056	14.7
123.11670	1.1
125.05988	3.3
125.09621	8.8
128.06227	2.7
129.05428	1.0
129.06998	7.4
130.07802	1.8
131.08580	14.3
133.06470	3.4
133.10139	9.1
135.08041	8.5
135.11697	11.8
137.09651	4.8
141.06996	1.9
142.07854	1.4
143.08582	5.7
145.06448	1.8
145.10123	21.6
147.08052	15.7
147.11685	4.9
149.09622	7.9
153.09042	1.5
153.12756	10.8
155.08607	1.7
157.06491	1.0
157.10127	6.0
159.08035	3.1
159.11668	5.0
161.09618	10.4
161.13258	2.5
163.11191	18.1
165.09116	11.4
165.12827	1.0
169.10173	1.4
171.08141	1.4
171.10320	1.2
171.11690	3.9
173.09573	4.6
175.11165	3.6
179.10616	1.3
181.10158	1.5
181.12218	13.7
185.13246	2.8
187.11150	1.1
189.11227	6.5
191.10696	7.4
193.12189	1.0
195.11655	2.0
199.11122	1.9
205.12187	1.6
209.11780	2.9
213.12741	1.5
213.16397	0.9
223.13225	5.5
227.12773	7.2
227.17960	3.1
237.16536	1.6
245.18904	4.6
249.14865	6.7
255.10287	1.1
255.17377	5.4
263.20038	2.0
273.15460	1.8
273.18494	35.5
274.18497	0.9
283.15338	1.3
291.19547	58.8
292.20038	1.1
323.12677	1.2
347.12692	1.9
347.22430	2.7
365.13959	5.1
365.19006	1.4
365.23233	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.01879	18.9
55.05270	2.2
55.05515	27.7
57.03436	25.3
57.07061	3.1
65.03934	3.8
67.05508	80.5
68.37688	1.9
69.03419	6.9
69.07071	27.7
69.21279	20.9
71.04982	8.0
79.05492	68.6
81.03427	10.0
81.07056	100.0
82.38651	2.3
83.04988	19.9
83.08627	15.4
85.06524	9.1
91.05484	86.9
93.07043	65.1
95.04964	23.6
95.08604	33.3
97.06533	10.7
99.04435	4.6
103.05412	2.0
105.04481	3.3
105.07037	59.8
107.04951	25.3
107.08594	49.2
109.02856	2.2
109.06512	15.1
109.10157	41.6
111.04441	5.0
111.08089	11.0
113.05994	2.5
115.05419	2.2
117.06334	2.2
117.07039	18.1
119.08573	22.3
121.06504	15.4
121.10159	16.8
123.04427	4.3
123.08064	7.7
123.11703	9.2
125.05965	2.7
125.09605	2.9
128.06204	4.6
129.06973	9.3
131.08571	26.8
133.06531	16.6
133.09126	4.5
133.10130	78.6
134.10452	2.3
135.08047	19.7
135.11678	8.2
137.06006	3.1
137.09566	5.8
139.07550	3.5
143.08612	10.1
145.06425	2.4
145.10115	15.1
146.07278	3.4
147.08051	8.9
147.11684	11.3
149.09613	25.5
149.13242	3.4
151.07549	2.5
151.11182	42.5
157.10141	7.2
159.08031	8.5
159.11707	8.1
161.09622	18.0
161.13229	3.9
163.11163	3.4
165.12766	3.0
169.10161	2.4
169.12239	4.8
171.11658	7.0
173.09651	2.4
173.13298	2.5
175.11157	8.3
177.09143	10.0
177.12776	4.3
179.10652	4.6
185.13203	2.3
187.11127	2.5
189.12776	4.8
193.12213	2.2
203.14384	2.1
227.18019	5.6
229.23656	2.3
245.18979	10.2
253.14307	21.7
255.17468	4.0
263.20078	10.7
269.13840	6.7
273.18488	45.2
291.19531	27.7
347.22177	8.8
361.47913	2.5
365.13437	3.9
365.23257	47.7
365.33356	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01875	10.2
55.05513	37.5
57.03193	1.3
57.03439	13.5
59.04986	1.4
65.03933	2.0
66.04281	0.9
67.05505	41.3
69.03431	15.2
69.07069	47.7
71.04983	3.2
71.48891	1.2
73.02908	1.0
73.87849	0.9
78.49040	0.8
79.05494	35.1
81.03419	8.3
81.07056	33.8
83.04998	6.2
83.08617	14.6
85.02884	0.9
85.06510	2.4
91.05484	23.3
93.07039	27.1
94.04191	1.2
95.04967	11.4
95.08005	0.9
95.08607	17.7
97.02894	18.9
97.06524	2.7
97.10175	18.1
105.04468	1.5
105.07035	19.2
105.16896	0.9
107.04951	11.2
107.08598	17.9
109.02882	1.2
109.06493	3.6
109.10158	15.4
111.04437	1.8
111.08047	2.9
115.05422	1.1
117.07011	9.6
117.95580	0.9
119.04914	1.5
119.08593	12.6
121.06496	3.7
121.10157	8.7
123.04449	1.8
123.08065	5.4
124.33490	1.0
125.09638	15.4
128.06218	1.5
129.05473	1.2
129.06989	3.8
131.08582	8.9
133.06487	3.9
133.10107	9.9
135.08066	7.5
135.11703	3.1
137.06000	1.0
137.09648	5.8
139.11143	1.1
141.06921	1.0
143.08571	4.0
145.10144	7.1
147.08089	5.3
147.11688	3.7
148.21062	0.9
149.09604	4.6
149.13246	3.6
151.06277	0.9
151.11148	4.3
153.09093	2.0
157.10118	3.0
159.08072	2.1
159.11710	4.8
161.09651	3.7
161.13316	1.0
163.11194	2.3
165.09114	2.9
167.08543	1.0
169.10074	1.4
171.10133	1.7
171.11691	1.9
173.11774	1.2
173.13263	1.1
175.11180	3.0
177.09119	1.3
177.12759	2.7
189.11264	7.6
195.13821	1.7
199.14743	1.2
203.05229	1.2
205.12289	3.3
209.11728	1.0
223.13292	36.8
245.19057	2.1
249.14752	1.2
253.14410	1.6
263.20074	1.8
267.06775	1.0
271.06396	1.8
273.18536	16.2
291.19550	100.0
292.19879	1.7
297.53854	1.1
347.12949	2.0
347.22037	1.5
365.10233	1.4
365.14041	1.4
365.23230	42.5
366.23499	1.2
374.81274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01871	12.4
55.05270	2.6
55.05516	29.2
57.03440	28.6
57.07075	2.6
64.17663	2.0
65.03937	7.0
67.05508	76.2
69.03428	8.6
69.07072	22.0
70.33894	7.4
71.04998	5.9
75.71004	1.9
79.05497	77.8
81.03418	8.0
81.07066	100.0
82.94510	1.9
83.04992	19.0
83.08617	8.1
85.06526	4.6
91.05486	56.4
93.07047	57.2
95.04974	74.7
95.08057	3.2
95.08609	32.3
95.18597	1.9
97.02886	2.3
97.06514	9.3
97.10171	6.8
99.04460	2.3
103.05447	2.4
105.07040	37.7
107.04970	23.6
107.08600	28.9
109.02843	2.9
109.06522	87.0
109.10148	10.8
110.55045	2.1
111.08087	5.8
115.05459	4.8
116.06232	4.0
117.07014	20.9
119.08595	29.4
121.06524	16.2
121.10164	17.2
123.04421	3.2
123.08091	7.2
123.11708	2.9
125.09660	4.4
128.06210	6.6
129.06992	9.8
130.07782	2.3
131.04829	2.3
131.08563	26.8
133.06488	8.2
133.10127	17.7
135.08073	31.6
135.11685	11.2
137.09583	4.4
141.06996	4.6
142.07741	4.5
143.08556	14.6
145.06534	4.4
145.10120	22.9
147.08076	12.9
147.11667	10.0
149.09613	9.3
149.13245	7.5
151.11224	2.5
155.08530	2.6
157.10153	9.4
159.08054	5.3
159.11740	10.2
161.09619	17.8
161.13225	4.6
163.11195	7.8
167.08481	2.1
169.10135	3.5
171.11697	9.1
173.13219	3.7
175.11177	8.8
177.12770	3.9
181.10159	2.6
183.11729	4.1
185.13286	5.1
187.11182	5.1
189.11137	2.8
195.11636	4.6
197.09688	1.9
199.14746	2.7
201.12752	2.8
217.15878	6.8
223.13269	6.8
227.17993	5.8
237.16402	4.3
245.18999	7.1
255.17436	5.6
257.08121	2.9
263.20059	4.3
273.18518	44.2
291.19522	25.8
347.22278	13.7
365.23419	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03947	0.4
54.19365	0.2
55.01867	0.3
55.05511	1.2
57.03437	0.3
57.07079	2.7
60.01670	0.2
67.05499	2.4
68.05819	0.3
69.03423	0.2
69.07069	1.5
69.99388	0.9
70.04079	0.2
70.25747	0.2
71.04993	0.3
77.66951	0.2
79.05485	1.5
81.07056	2.9
82.07325	0.2
82.81488	0.2
83.04982	0.4
83.08606	0.5
85.06553	1.2
86.23784	0.2
91.05479	1.0
93.07050	1.9
94.07347	0.3
95.04957	0.6
95.08621	2.2
97.06552	0.3
98.98463	0.3
105.07030	1.0
106.05031	0.3
107.08610	1.6
109.06512	1.5
109.10180	0.6
111.08064	0.4
117.07026	0.3
119.08563	1.0
121.10129	0.8
122.10477	0.4
123.08068	3.6
123.11707	0.3
124.08863	1.7
131.08551	0.4
133.10150	0.6
135.08043	0.7
135.11711	0.5
137.05975	0.6
137.09666	0.4
138.06757	0.4
139.07536	0.4
139.11293	0.2
143.08585	0.3
145.10114	0.6
147.11702	0.3
151.07542	4.0
151.11201	0.4
152.08327	7.2
155.00983	0.3
157.10104	0.4
159.11691	0.5
161.09656	0.5
163.14798	0.3
165.09126	9.3
165.12726	0.3
166.09882	0.6
175.11243	0.3
177.12766	0.3
179.10689	2.2
185.13297	0.3
194.13033	4.5
195.13817	0.3
207.13803	1.5
235.17009	0.6
249.18542	0.9
263.20090	2.5
276.10104	0.2
277.21698	0.5
291.19522	0.3
305.24765	0.5
306.25085	2.0
319.26328	1.4
347.25854	17.9
348.26263	0.4
365.26895	100.0
366.27225	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	366.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	1.5
57.03440	3.4
59.04990	0.5
60.04509	0.6
61.02922	2.0
69.03431	9.3
69.60266	2.1
70.06571	0.9
71.01347	1.3
71.04997	2.7
72.08150	0.4
73.02905	0.9
79.05476	1.1
81.03408	1.5
83.83166	0.3
84.08126	0.6
86.09709	2.0
91.05495	0.6
92.05032	0.3
97.02866	0.5
98.01624	0.3
98.20766	0.6
99.04463	2.0
104.04961	0.7
106.06560	2.9
107.04951	1.1
107.08578	0.3
110.07092	0.4
115.26820	0.3
116.04979	3.6
117.05523	0.8
118.05302	2.4
118.06588	0.4
120.08098	1.4
129.06572	0.3
129.10225	0.4
131.06052	2.3
132.06839	0.5
132.10161	0.3
133.07620	9.9
134.05983	0.5
136.07602	1.9
143.06070	2.2
144.06770	0.4
145.07616	14.1
146.08382	0.7
147.09161	1.1
157.07668	1.5
158.04761	0.7
158.08507	0.7
159.09196	1.2
161.07133	2.4
163.08676	14.3
169.12247	0.7
170.08398	0.4
171.05560	1.3
171.09192	1.5
172.09882	0.4
173.07123	1.4
173.10741	0.8
175.08679	4.9
176.09404	0.7
177.06641	2.2
177.10284	0.8
183.09177	1.0
184.10069	0.5
185.10725	1.1
187.08638	0.4
189.06598	10.0
189.10222	0.9
191.08224	0.7
199.08720	0.4
200.09474	1.1
201.10229	2.4
202.10889	0.4
203.08177	0.4
203.11777	0.9
204.10109	0.4
205.09764	0.8
207.07661	100.0
208.08028	2.2
211.08772	0.4
213.10207	1.3
214.06116	1.7
215.08191	1.0
215.11797	0.9
217.09816	0.8
229.09715	1.1
230.10480	0.7
231.11342	1.1
232.07178	13.4
241.09692	0.3
247.10930	0.4
249.08775	0.4
249.12392	0.9
249.15741	0.3
261.08563	0.7
261.12335	1.3
269.09232	0.9
275.10291	0.7
279.13403	7.5
287.10272	1.0
292.62985	0.3
305.11331	3.5
323.12387	49.6
324.12793	0.9
348.11862	4.2
366.12976	54.9
367.13196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01858	1.4
55.05493	0.9
56.05024	0.5
57.03441	3.1
59.04998	0.5
60.04508	1.2
61.02926	2.5
67.05474	0.6
69.03429	11.3
69.65441	0.9
69.65853	1.8
70.06579	2.6
70.60181	0.3
71.01337	1.1
71.04997	3.3
72.08134	1.5
73.02908	1.4
79.05490	1.8
81.03416	1.9
81.07072	0.6
83.04926	0.4
84.04480	0.7
84.08135	2.4
84.85218	0.3
85.02888	1.0
85.06530	0.7
86.09708	6.7
91.05471	1.1
93.07034	1.0
97.02883	1.0
97.06526	0.5
99.04449	2.1
104.04952	0.4
105.05708	0.4
105.07001	0.4
106.06552	2.8
107.04931	1.5
107.08576	0.8
109.10151	0.4
110.07163	1.3
111.08076	2.5
116.04955	3.4
116.07090	0.8
117.05476	0.6
118.05273	2.6
119.04903	0.4
120.08091	4.5
122.02346	0.4
125.09626	0.8
129.10237	1.6
130.06541	0.5
131.06067	1.9
132.06834	0.8
132.10211	0.5
133.07605	10.4
134.05927	0.5
136.07587	3.1
138.05464	0.6
143.06009	2.1
143.10680	0.5
145.06427	0.6
145.07599	11.8
146.08369	0.9
147.09158	1.1
148.06075	0.4
151.11154	0.7
155.10666	0.4
155.50111	0.4
156.07814	0.5
157.07571	1.5
157.13344	0.6
158.04758	0.8
159.09180	1.0
161.07085	2.8
163.08670	13.6
169.07440	0.4
169.12242	2.9
171.05545	0.8
171.09200	1.6
172.09953	0.7
173.07121	1.1
173.10757	0.6
175.08636	4.0
176.07086	0.6
176.09433	1.1
177.06586	1.6
177.10236	0.5
182.08070	0.4
183.09106	0.8
185.10765	0.8
186.09120	0.7
186.61893	0.5
187.08502	0.4
189.06570	8.2
189.10233	0.7
191.08195	0.8
199.08626	0.7
200.09431	1.4
201.10239	2.5
202.10979	0.9
202.97684	0.4
203.08076	0.6
203.11829	0.7
204.06676	0.7
205.09744	0.5
207.07651	100.0
208.08014	1.5
213.10228	1.7
214.06126	1.7
215.08188	0.8
215.11833	1.0
217.09811	0.6
229.09669	1.4
231.11322	1.3
232.07169	14.8
233.16467	0.6
241.09695	0.5
246.02731	0.4
249.12346	0.6
253.03601	1.2
261.08713	0.8
261.12271	1.3
269.09192	0.6
275.10129	0.7
279.10757	0.3
279.13403	7.3
287.05408	0.8
287.10269	1.1
305.11359	4.0
306.11575	0.5
323.12375	50.4
324.12772	1.0
348.11914	4.9
361.02530	0.8
366.12943	56.7
367.13266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01886	9.7
55.05486	4.1
57.03438	4.3
61.02914	5.2
65.32589	1.9
66.76990	1.7
67.05527	2.8
69.03433	37.0
69.07059	2.5
69.45011	14.7
70.06601	4.7
71.04989	4.6
73.02908	5.6
81.03426	24.6
81.07045	2.3
83.08626	2.1
84.08071	1.8
85.02909	100.0
86.09704	3.1
87.00313	3.3
87.00832	46.9
93.07051	2.9
93.86092	1.9
97.02894	29.0
99.04449	13.4
105.01874	57.8
107.04970	13.7
108.04487	3.0
109.02892	25.6
117.01770	2.4
127.03920	58.5
129.01904	3.1
134.90158	1.7
145.03915	3.2
145.04976	30.4
147.02831	3.2
151.07507	3.1
159.02884	11.8
167.03394	2.4
180.56366	1.8
189.03857	3.6
209.11807	4.6
213.14421	2.0
219.10300	2.5
231.05029	18.7
249.05991	3.4
366.13654	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01882	7.0
57.03434	4.8
60.04504	2.4
61.02922	5.3
68.99782	1.7
69.03429	36.9
70.06573	2.9
71.00128	3.0
71.04997	4.4
73.02904	6.1
81.03421	21.2
84.08136	1.3
85.02908	100.0
86.09711	9.5
87.00831	51.2
87.05591	1.8
97.02299	2.2
97.02896	30.2
99.04472	13.1
102.71970	1.4
105.01869	92.2
107.04948	5.4
108.04507	2.0
109.02884	29.7
120.08140	9.3
126.05500	1.9
127.03918	75.1
129.01854	2.8
145.04959	32.9
147.02939	1.8
159.02931	11.1
162.09157	2.2
166.08575	1.6
173.12869	3.1
186.09145	2.3
189.03960	3.4
207.11267	6.2
207.46675	1.3
213.03975	3.9
231.04988	22.7
235.10640	1.8
249.06035	9.5
272.10196	1.6
273.12378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2025
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
50.10108	0.7
53.59053	0.7
56.08054	0.6
60.04527	23.0
68.05043	0.6
69.03416	0.6
69.07058	0.7
69.72339	3.8
70.02949	0.7
70.06592	0.8
70.48552	0.6
71.96873	0.6
72.04511	1.1
77.49255	0.6
81.03397	0.9
81.07051	0.6
85.02899	1.2
86.09706	70.6
87.00819	0.7
87.05588	17.4
91.05442	1.1
99.04482	0.8
103.05456	1.8
105.01852	0.9
107.04938	2.2
110.74237	0.6
112.11201	0.7
118.06537	1.9
120.08110	36.0
126.09173	0.7
127.03878	0.6
128.10741	9.4
131.04829	0.6
132.10165	0.9
134.69983	0.6
144.08104	1.0
149.05974	0.6
162.09160	1.8
166.08647	13.4
173.12863	100.0
174.13210	0.9
190.09793	2.2
191.08186	2.2
201.12343	22.2
207.11241	5.6
219.13710	0.7
230.15424	2.2
235.10793	1.7
258.12283	0.6
270.27728	0.6
279.17001	1.7
292.19049	4.2
320.68332	0.7
360.67871	0.6
361.26294	0.7
366.22699	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	366.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76984	1.1
52.56689	1.2
55.05510	7.1
56.05029	8.4
57.03424	1.4
58.06597	3.2
59.05015	1.4
60.04515	4.4
67.05479	1.1
69.03436	2.1
69.07049	2.7
70.06603	9.3
71.04977	1.7
71.48118	1.2
72.08157	44.0
74.06086	31.8
76.18880	1.1
79.92159	1.1
81.07066	6.5
83.36056	1.4
84.04502	6.1
84.08141	10.3
85.02900	4.3
86.09710	55.0
91.05479	7.4
93.07040	1.7
95.08588	1.3
99.10043	1.4
99.97318	1.3
101.07130	9.8
103.05499	2.8
107.04971	6.6
107.08578	2.2
108.13489	1.2
109.10165	1.9
110.07141	2.5
110.09704	1.7
110.46450	1.1
111.09209	1.8
112.07626	1.3
116.68173	1.3
118.97081	1.1
119.04938	3.7
120.08109	100.0
121.02927	1.3
123.11692	2.2
127.03888	1.1
128.10718	14.8
129.10252	9.8
132.10123	1.9
136.07584	60.6
138.09137	2.1
139.11140	1.2
145.09746	1.8
151.11215	2.3
155.11844	1.3
158.09692	2.3
162.09204	1.4
162.55460	1.3
166.08644	11.4
169.12260	7.6
173.09325	1.2
173.12875	42.7
176.10643	2.0
186.09067	1.5
187.13252	1.8
201.12344	16.9
204.06653	1.3
207.07672	2.7
207.11316	21.4
221.12891	10.5
233.16481	25.6
235.10777	9.5
240.91200	1.3
249.12296	3.3
253.11876	5.0
261.15991	6.0
265.15384	1.8
267.13239	6.5
295.16821	1.4
304.21048	1.5
323.12228	1.6
348.19296	3.1
366.20834	1.5
366.28528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	14.2
67.05504	10.9
69.07068	3.8
70.06582	8.0
71.04986	17.1
71.48203	3.3
72.08141	2.6
81.07037	7.2
84.08163	4.9
85.02887	5.3
85.06550	28.8
86.09706	100.0
91.05465	10.7
93.07047	3.7
105.07011	6.7
107.04949	9.6
107.08585	10.7
109.10154	12.7
110.07201	3.4
120.08112	49.2
121.97215	2.5
123.11747	3.0
133.10132	26.3
144.08113	4.1
151.11197	24.4
162.07841	2.5
166.08629	31.4
169.12233	23.3
173.12851	20.2
187.13293	60.1
201.12315	23.3
207.11287	5.1
207.61462	2.4
253.11877	26.9
254.22498	2.7
278.95862	3.2
358.87189	2.6
366.28107	2.7
367.16461	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	4.2
56.05034	8.3
56.96560	6.4
60.04526	3.0
69.03429	9.0
69.07058	6.7
70.06594	41.8
71.48324	5.4
72.08167	16.5
73.02905	4.5
73.50600	2.7
77.60947	3.3
79.05482	4.1
81.03435	5.3
81.07056	9.0
83.06106	7.5
84.04511	36.8
84.08149	41.6
85.02921	14.6
86.09713	46.0
90.05553	4.6
91.05473	8.8
93.07040	5.9
95.04960	8.6
97.02885	7.0
98.97592	4.4
102.05534	24.2
103.05455	5.6
105.07017	4.4
107.04984	17.0
107.08585	10.9
108.04521	5.8
109.06557	3.5
110.07174	37.0
115.08692	3.4
116.07085	7.0
119.04961	4.1
120.08114	100.0
121.08450	4.5
123.08057	3.3
123.11687	11.2
127.03910	5.3
129.10229	20.2
130.06552	7.5
133.10170	3.6
136.07594	29.8
139.07596	3.0
144.13873	3.1
151.11191	24.6
155.08165	13.9
158.06021	16.1
166.08646	27.5
168.06631	4.9
168.08046	3.9
169.12152	4.7
173.09277	14.3
174.05531	4.4
178.13359	8.3
183.07529	3.4
186.05527	32.4
186.09122	11.7
187.13298	13.1
201.08688	8.5
204.06581	36.1
204.10197	7.8
204.15834	5.4
207.07996	3.4
223.15530	9.8
231.11250	3.8
249.12387	11.7
249.16045	15.5
251.15009	13.5
253.03590	9.1
277.11783	5.3
287.05441	9.1
316.08087	3.7
361.02200	4.7
366.15891	6.7
367.14545	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	367.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46574	0.2
71.46609	0.3
71.89839	0.2
81.33871	0.2
82.99858	0.4
89.87418	0.2
94.20361	0.2
95.10806	0.2
98.97582	0.6
101.00893	4.1
116.98781	0.3
119.01928	5.9
132.04869	0.3
134.99876	0.6
137.02962	0.4
140.98833	0.9
151.78804	0.2
158.99898	3.6
168.53439	0.2
175.03000	0.3
177.00969	15.5
178.01042	0.8
182.99924	0.9
201.00951	3.5
216.98859	0.2
217.04091	2.2
219.02029	20.6
220.02173	1.0
225.00908	2.1
234.00667	0.3
234.99956	0.5
236.00064	0.4
240.98955	0.4
241.98985	0.3
242.03604	0.3
242.99506	0.5
243.02016	10.7
244.02065	0.3
259.00085	1.1
260.00107	1.4
261.03082	100.0
262.03259	4.2
263.03296	0.5
277.00931	0.5
278.01151	0.3
279.00800	0.3
283.00021	2.2
284.00089	3.7
284.04688	1.4
284.99857	1.1
301.01028	2.0
302.01117	3.6
303.00952	1.2
326.01102	0.3
343.02087	0.5
344.02316	1.9
362.03271	0.7
364.01202	0.3
367.02219	0.4
375.27542	0.3
384.98853	0.3
385.03201	5.5
386.03253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52003	0.9
53.03950	1.3
55.01884	1.1
56.05040	2.9
56.96569	4.8
57.03431	2.8
59.59330	0.9
60.04530	20.8
60.92840	0.9
61.02933	1.3
69.03429	5.1
69.07065	1.9
69.42747	8.0
70.02955	4.0
70.06602	22.1
70.42535	0.9
72.08156	4.1
73.02898	1.5
73.06551	1.7
74.02442	7.8
74.06071	2.8
80.89864	0.9
81.03419	1.4
83.06116	1.2
84.04501	5.7
84.08144	14.3
85.02916	6.4
86.09708	5.5
87.05598	32.3
88.03993	4.2
90.94825	1.2
91.05466	5.0
93.07053	1.6
97.02362	1.1
97.02905	5.0
98.97595	11.8
101.07171	1.4
102.05537	2.0
103.05482	4.2
103.95757	1.0
105.07067	5.0
107.04948	8.0
110.07164	3.5
110.11727	1.0
110.97566	2.3
112.08729	1.6
115.08711	1.7
116.03458	2.9
116.07027	1.2
116.32251	1.0
116.98613	4.2
117.06989	2.5
118.06567	3.2
119.04951	1.4
119.07356	2.1
120.08116	100.0
121.08452	1.6
127.03932	1.9
127.08675	8.0
128.98605	2.2
129.10236	5.4
130.05060	1.4
130.06526	3.7
132.08072	2.0
132.95853	2.0
133.06097	42.8
134.09673	1.6
136.07584	3.6
137.05969	1.2
138.06496	1.1
143.00151	1.2
144.08096	23.6
144.95866	1.4
145.07579	1.3
146.06015	5.4
146.09628	1.4
146.99617	1.1
155.08179	5.2
156.08078	1.2
157.65820	1.2
158.97380	1.8
158.99702	3.0
160.07608	1.3
162.09151	19.4
162.96823	1.1
163.00548	3.2
167.07030	2.4
169.07553	1.7
170.05945	1.3
177.00732	1.2
178.04970	1.5
187.08710	13.0
188.07083	10.6
199.00575	1.1
202.08630	1.3
205.01677	3.0
205.09718	9.9
206.04523	5.4
207.11301	91.1
208.11583	1.8
213.12384	4.6
217.01590	3.8
219.01839	3.1
227.11357	1.6
230.08174	1.8
234.07629	2.9
234.12328	2.6
234.99042	4.0
235.10735	14.4
237.02800	3.8
241.01534	1.4
247.02747	1.2
247.10645	1.2
263.10239	1.4
265.80905	1.0
280.12906	2.7
287.05463	2.5
288.05801	1.2
307.04669	7.2
322.62158	9.6
323.12503	2.4
350.12888	1.2
358.61435	3.3
364.91342	1.1
367.10504	2.2
367.15091	10.5
367.19690	1.9
368.08633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11045	1.7
55.01870	6.9
55.05508	15.6
56.35152	1.7
57.03426	6.3
57.07075	4.6
63.85446	1.8
67.05502	29.5
67.48032	1.9
69.03403	2.1
69.07066	20.9
69.89542	1.6
70.18124	1.8
71.08605	3.6
75.02859	2.0
79.05493	28.6
81.07059	44.0
83.04973	6.4
83.08620	9.4
85.06545	3.5
91.05483	23.9
93.07049	41.4
95.04962	8.4
95.08607	26.5
97.06526	9.0
97.09206	2.1
97.10178	5.8
98.20766	3.7
105.07042	26.8
107.04966	8.1
107.08598	22.9
107.72993	2.1
109.06520	7.8
109.10148	12.8
111.08085	4.2
117.04276	1.8
117.06985	9.0
119.08586	18.1
121.06519	13.1
121.10150	16.7
123.08088	7.3
123.11718	6.2
125.09579	2.8
129.07027	3.3
131.08571	19.9
133.06468	4.3
133.10133	18.6
135.08038	5.9
135.11681	8.4
137.09654	3.7
143.08534	5.2
145.10136	21.0
147.08076	4.6
147.11681	14.8
149.09630	5.5
149.13284	5.5
151.11214	5.4
157.10199	4.1
159.08031	2.4
159.11678	11.0
161.09621	6.0
161.13266	6.4
163.11174	7.2
163.14763	4.5
171.11699	3.1
173.13277	5.4
175.11189	4.3
177.12730	2.9
179.14296	2.0
183.11794	3.0
185.13191	2.5
191.14297	3.5
194.29979	1.8
201.16235	2.1
202.49974	1.8
203.14293	2.2
207.13885	3.0
213.60196	2.0
215.17979	2.9
229.19583	3.0
231.17490	2.3
239.17935	3.9
247.20624	5.3
257.19022	13.0
275.20062	100.0
276.20447	2.8
293.21085	14.4
296.23441	2.0
331.29913	4.5
348.40710	1.7
349.23764	36.8
349.30865	11.0
350.23898	1.9
367.24863	32.2
368.42120	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71775	5.7
55.01867	16.2
55.05514	82.0
55.84109	6.6
57.03447	44.7
57.07068	21.8
59.04993	14.3
60.12301	5.5
67.05507	94.4
69.03423	9.6
69.07071	76.7
70.26436	6.3
71.04988	13.5
71.08623	9.9
71.48736	7.3
72.08156	72.0
79.01611	7.6
79.05160	6.2
79.05499	64.5
81.07060	100.0
83.04980	32.7
83.08628	50.8
85.02907	11.4
85.06537	45.5
91.05479	39.5
93.07037	68.8
95.04974	46.1
95.08616	80.4
97.06522	11.5
97.10166	36.4
99.04457	16.5
99.08091	7.6
105.07053	32.5
107.04945	13.7
107.08602	51.1
109.00904	6.6
109.06519	10.9
109.10154	36.8
111.04464	33.4
111.08097	13.9
117.07026	17.2
119.08571	32.0
121.03979	6.3
121.10130	53.0
123.08069	9.3
123.11689	18.5
125.06012	6.1
125.09596	17.2
129.10229	27.9
131.08560	30.7
133.10127	26.0
135.08078	9.8
135.11687	29.2
137.09662	10.6
139.11214	6.8
143.08624	9.7
145.10168	42.5
147.11684	18.6
149.09624	34.7
149.13231	6.1
157.10153	8.3
159.11700	15.1
161.13208	7.7
163.11194	27.1
165.12677	7.4
171.11687	17.0
173.13252	12.1
189.11247	12.4
197.13251	10.7
205.12225	7.9
211.13326	7.7
219.17392	10.0
223.13260	39.1
257.18842	8.7
275.20059	91.4
293.21109	40.7
293.28314	7.9
330.16995	7.4
344.34097	5.9
349.23538	10.6
349.30753	7.1
367.24771	29.7
367.32007	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01880	33.2
55.05514	76.7
57.03439	33.7
60.54867	4.1
65.03941	4.9
67.05511	94.1
69.03429	5.8
69.07069	43.0
70.60345	14.7
71.04980	15.2
71.08633	6.5
72.54825	4.5
79.05086	7.0
79.05501	81.9
81.03396	13.6
81.07067	91.2
83.05000	41.3
83.08633	49.3
85.02902	17.6
91.05490	45.5
93.07051	91.4
95.04385	4.9
95.04971	70.5
95.08615	61.7
97.06532	17.7
97.10189	21.2
99.04483	24.1
103.89251	4.1
105.07052	48.3
106.35004	4.1
107.04954	31.9
107.07900	5.0
107.08609	79.1
109.06501	12.7
109.10213	21.0
109.10878	3.4
111.04453	41.8
111.08083	15.8
117.07049	23.5
117.07751	4.7
119.08591	41.8
121.06480	10.9
121.10167	34.3
121.81641	4.5
123.08062	9.0
123.11716	7.8
125.09595	19.4
129.07053	6.4
131.08554	31.1
133.10150	28.5
135.08014	7.0
135.11697	23.3
137.09534	5.2
139.11163	7.7
143.08493	4.8
145.10156	29.6
147.08015	7.1
147.11665	23.5
149.09634	41.2
149.13248	5.7
151.11122	7.4
153.12772	7.7
158.10016	5.5
159.11702	14.7
161.13269	8.1
163.11195	47.9
165.12794	9.6
167.10611	5.7
169.10149	6.0
173.13321	7.7
177.12666	6.8
181.12245	7.0
183.11600	4.3
187.11168	4.7
189.11209	10.1
205.12138	4.4
211.13185	5.8
212.20197	4.2
223.13303	70.3
229.19595	6.8
233.15164	3.7
239.17966	6.0
247.20566	6.3
257.19022	11.8
261.12817	19.5
272.82700	4.4
275.17340	8.3
275.20093	100.0
276.20413	6.4
276.23077	4.7
293.21201	33.7
311.76785	3.9
349.23898	5.0
367.24985	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
53.33102	3.6
54.53302	3.2
55.01884	23.3
55.05514	67.8
57.03440	25.9
65.03931	6.5
67.05509	89.1
69.03393	5.6
69.07072	52.1
70.86787	8.9
71.04986	12.2
79.05499	82.2
79.75368	3.6
81.03406	12.8
81.07059	70.7
83.04984	48.9
83.08621	53.2
85.02924	18.3
85.06535	6.1
91.05487	50.3
93.06490	5.4
93.07047	79.3
95.04971	92.3
95.08614	43.0
97.06519	15.1
97.10166	21.9
99.04479	21.0
105.07037	43.6
107.04964	20.2
107.08602	72.3
109.06551	17.7
109.10164	28.5
109.22566	4.0
111.04455	60.0
111.08070	17.8
111.73742	3.4
114.27837	3.2
117.07024	18.4
119.08583	33.3
121.06490	14.0
121.10152	45.1
122.78508	3.6
123.08067	13.3
123.11712	5.3
123.89671	3.4
125.05958	4.2
125.09615	24.9
127.89616	3.2
131.08595	29.8
133.10159	25.3
135.08037	14.1
135.11717	21.4
139.11201	9.5
143.08516	6.9
145.10130	41.8
147.08044	8.1
147.11670	14.7
149.09618	52.9
151.11180	4.8
153.12732	13.5
157.10143	4.9
159.11682	16.9
161.09570	4.0
163.11200	60.5
165.12762	10.0
169.10114	4.8
171.11612	5.1
173.09547	5.3
173.13193	6.3
175.11302	4.0
177.12790	11.1
181.12181	10.5
187.11259	5.5
189.11221	12.1
191.10670	7.2
193.12241	4.8
197.13420	4.4
205.12193	13.9
215.17848	4.0
223.13318	78.7
239.17949	8.5
257.19025	15.7
275.20053	100.0
276.20380	4.2
293.21143	35.0
337.12601	3.6
349.23578	7.6
359.92093	3.6
367.24927	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01870	5.9
55.05513	20.8
57.03434	15.7
62.17950	1.3
62.79478	1.5
65.03933	2.0
67.05509	45.5
69.03443	1.8
69.07072	31.5
69.20109	15.9
71.04969	2.1
71.89801	1.4
79.05497	38.6
80.47449	1.4
81.03421	3.5
81.07060	100.0
83.04979	5.5
83.08617	12.1
85.06532	3.6
91.05485	28.2
93.07041	21.0
95.04962	6.7
95.08611	27.8
97.06530	8.2
97.10130	2.7
99.08074	4.7
105.07041	25.9
107.04949	7.4
107.08584	15.6
109.06525	12.7
109.10160	9.6
111.08068	5.2
117.07022	6.9
119.08587	17.5
121.06486	2.6
121.10148	11.0
123.08051	7.2
123.11685	8.0
125.09597	2.6
129.07025	3.0
130.11078	1.6
131.08575	10.4
133.10144	16.5
133.23000	1.5
135.08061	3.8
135.11700	4.9
137.09636	3.3
140.53499	1.5
141.96640	1.4
143.08566	1.9
145.10165	9.1
147.08047	2.4
147.11673	21.1
147.12674	2.1
149.09607	6.2
149.13271	6.7
151.11148	3.3
157.10146	3.2
159.11713	4.9
161.13309	2.0
163.11194	5.0
163.14771	1.5
165.12761	7.8
169.10193	1.4
171.11700	2.3
173.13324	3.7
177.12689	2.3
179.14345	2.3
187.14682	1.7
193.12282	2.2
195.13777	2.0
223.79150	1.5
247.20564	3.9
257.19089	2.8
275.20056	26.6
276.20258	2.0
293.21066	5.1
349.23788	5.3
367.24817	25.4
368.24683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03962	1.5
55.01862	5.2
55.05522	10.4
57.03437	5.8
57.07072	1.2
63.55156	1.1
65.03934	1.4
65.15317	1.1
67.05508	21.6
69.03429	1.4
69.07074	12.1
70.10037	5.1
70.10363	1.3
71.05000	2.1
79.05499	20.0
81.07053	23.9
83.04991	7.5
83.08610	6.7
91.05486	21.0
93.07059	22.9
95.04968	7.0
95.08614	18.4
97.06541	4.9
97.10155	1.4
98.21461	1.3
105.07042	26.0
106.07330	1.3
107.04958	7.0
107.08600	16.6
109.06518	10.0
109.10175	7.0
111.08070	2.6
117.07039	7.9
119.08593	14.0
121.06509	10.1
121.10143	7.9
123.08077	6.5
123.11699	2.4
125.09645	1.4
129.07008	2.5
131.08571	18.5
133.06462	3.3
133.10150	17.1
135.08040	4.7
135.11699	5.5
137.09570	1.3
143.08563	2.6
144.09344	1.3
145.06494	2.0
145.10138	13.0
147.08072	3.5
147.11703	8.6
149.09633	7.8
149.13269	4.0
151.11197	3.7
155.08568	1.9
157.10153	3.6
159.08064	1.8
159.11711	10.3
161.09648	4.5
161.13252	3.0
163.11217	8.9
171.11656	1.9
173.09634	2.3
173.13223	6.0
175.11203	3.4
177.12846	1.5
183.11748	2.3
187.11198	2.3
187.14862	1.2
190.06657	1.1
191.14323	2.5
201.12744	3.5
207.13841	4.2
213.16359	1.5
215.14418	2.1
215.17940	2.6
219.13850	3.7
229.19478	3.0
232.68330	1.4
233.15474	1.4
239.17966	3.7
247.20624	4.4
257.19025	12.8
270.28708	1.3
275.20081	100.0
276.20535	3.6
293.21039	9.5
315.15704	1.2
349.23749	34.9
367.24817	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01874	5.5
55.05513	15.6
57.03442	10.0
57.07067	1.0
65.03941	1.9
67.05510	27.9
69.03431	1.9
69.07071	15.6
70.20970	3.0
71.04987	3.5
75.04507	1.2
77.03925	1.0
79.05498	28.5
81.03413	1.1
81.07057	38.0
83.04990	6.7
83.08618	7.8
85.06523	3.5
91.04908	1.3
91.05484	30.4
93.07046	34.8
95.04971	8.5
95.08612	22.5
97.06535	5.1
97.10150	2.6
98.21457	0.9
99.08037	1.1
102.46515	0.8
103.05457	0.9
105.07035	31.2
107.04961	9.1
107.08604	19.0
109.06527	11.7
109.10163	8.2
111.08064	3.1
115.05421	1.3
117.07021	11.3
119.08583	20.5
121.06512	8.8
121.10146	10.6
123.04487	1.0
123.08067	7.4
123.11703	2.7
125.09589	3.4
129.07013	3.7
131.07069	1.4
131.08575	21.6
133.06490	3.9
133.10141	19.9
135.08037	5.1
135.11694	6.9
137.09575	2.9
141.06961	1.9
143.08542	4.3
145.10120	17.2
147.08040	2.9
147.11690	13.5
149.09633	8.1
149.13234	3.7
151.11156	5.0
155.08620	1.3
157.10149	4.2
159.08038	1.8
159.11684	11.9
161.09612	3.5
161.13275	3.5
163.11174	8.6
165.12776	1.8
169.10150	2.7
171.11697	3.2
173.09648	2.0
173.13249	7.6
175.11183	2.8
175.14821	2.0
177.12714	2.9
183.11682	2.9
185.13255	3.8
187.11256	1.3
189.12813	1.4
189.16428	1.0
191.14294	3.6
197.13242	2.3
199.14734	1.1
201.12785	2.6
201.16394	1.7
203.14307	3.7
205.15788	1.8
207.13824	3.0
213.16368	1.1
215.14264	1.1
215.18074	1.5
219.13779	2.9
219.17427	7.4
221.15352	1.2
229.15877	1.2
229.19444	2.3
231.17442	1.6
233.18993	1.1
235.17003	1.0
239.17882	5.4
247.20619	3.8
257.19016	14.5
275.20074	100.0
276.20416	2.7
293.21149	9.8
349.23761	34.2
350.24063	1.1
367.24850	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89374	1.2
53.03934	4.7
54.99096	1.5
55.01861	5.8
55.05513	17.6
57.03438	14.5
60.10407	1.4
65.03937	1.6
67.05503	42.0
69.07069	34.1
69.65336	1.4
69.74789	7.4
70.11708	1.2
71.04986	3.3
76.13797	1.4
79.05029	2.0
79.05493	36.5
81.03403	1.9
81.07058	100.0
83.04967	5.4
83.08625	10.6
85.06542	3.8
91.05485	25.6
93.07050	25.5
95.04976	9.6
95.07987	1.9
95.08602	27.2
97.06544	8.6
97.10180	3.4
98.20690	1.4
99.08065	3.2
104.11225	1.5
105.07029	23.8
107.04955	5.5
107.08589	16.6
109.06514	16.7
109.10162	9.6
111.08101	4.2
117.07007	6.7
119.08591	18.2
121.06480	4.4
121.10129	11.0
123.08048	5.9
123.11736	8.9
125.09641	2.7
129.07002	2.4
131.08551	10.0
132.47446	1.5
133.10120	13.9
135.08055	2.4
135.11684	6.7
137.09584	4.4
143.08537	2.2
145.10126	9.3
147.11690	22.3
149.09616	6.0
149.13254	6.4
151.11197	2.0
159.11703	6.9
161.13293	3.1
163.11177	5.3
163.14748	1.7
165.12749	5.6
169.10005	1.6
171.11632	1.9
173.09595	1.5
173.13304	4.1
175.11133	3.5
177.12720	3.7
179.14391	2.3
182.07256	1.5
191.14340	2.3
193.12209	2.4
195.13783	3.1
197.13078	2.2
219.13731	1.7
229.19447	2.1
239.18069	1.6
247.20633	3.0
257.19034	3.7
275.20047	24.9
290.98068	1.4
293.21109	2.3
349.23581	4.8
367.24881	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	367.2482
Annotation	Betaenone A
Peak:m/z	Relative Intensity
50.29140	0.8
50.72963	0.8
52.12836	0.8
53.03936	1.9
55.01873	5.0
55.05269	1.1
55.05508	10.7
57.03433	4.7
57.07064	2.9
65.03959	0.7
67.05506	20.9
69.03419	1.8
69.07075	14.2
69.17545	6.3
69.17950	2.0
71.04984	1.4
74.68782	0.7
79.05493	19.0
79.30801	0.7
81.06594	1.5
81.07056	25.4
81.07534	1.5
83.04986	6.2
83.08619	4.4
85.06512	1.5
91.05480	19.7
93.07043	26.8
95.04971	7.3
95.08611	16.9
97.06523	4.4
97.10159	2.3
98.21552	1.5
99.08037	1.0
103.05506	1.0
105.07029	23.0
107.04951	8.0
107.08597	16.0
109.06521	7.9
109.10146	6.5
111.08081	2.3
117.07002	7.4
119.08572	12.8
121.06514	9.0
121.10125	8.0
123.04458	0.9
123.08071	5.6
123.11715	1.5
125.09625	1.2
129.07011	2.6
131.04842	0.8
131.08563	14.7
133.06519	2.0
133.10130	14.4
135.08066	5.6
135.11702	5.0
137.06030	1.0
137.09633	2.3
140.98462	1.4
141.07018	1.8
143.08565	3.7
144.05690	0.8
145.06479	2.6
145.10118	11.6
147.08044	4.3
147.11688	10.9
149.08601	0.9
149.09608	5.1
149.13234	3.5
151.11208	4.3
155.08546	2.4
157.10121	3.6
158.25697	0.8
159.08087	1.3
159.11693	6.9
161.09627	3.3
161.13231	3.1
163.11200	4.7
163.14774	0.8
165.12764	1.3
169.10042	1.3
171.11679	2.2
173.09624	2.4
173.13284	5.8
174.99077	0.9
175.11185	1.5
175.14839	0.9
177.12737	2.3
183.11691	2.6
185.13304	1.4
187.11174	1.9
189.00572	1.3
191.14345	3.1
197.13275	1.4
199.14729	1.0
201.12738	2.1
205.19505	1.3
207.13846	2.0
215.14346	1.9
215.17926	1.9
219.13853	3.4
229.19543	2.5
231.17485	1.6
233.18938	1.2
239.17958	3.3
247.20595	3.2
253.27507	0.9
257.19019	13.4
270.43777	0.9
275.20065	100.0
276.20428	2.8
293.21088	11.5
320.83493	0.9
321.14819	2.2
349.23746	36.3
350.24088	1.1
367.15265	1.1
367.20892	1.8
367.24847	19.5
368.25217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10381	1.0
53.03944	1.9
55.01865	3.2
55.05273	1.9
55.05513	23.0
57.03439	7.8
57.07087	1.4
64.33703	0.9
67.05504	17.7
69.03423	3.5
69.07067	16.7
70.43999	4.1
71.08632	38.3
79.05486	14.0
81.03416	5.1
81.07053	15.8
83.04976	4.0
83.08624	7.1
91.05484	6.5
93.07051	8.4
95.04969	5.8
95.08598	7.0
97.06537	2.3
97.10178	9.9
99.08099	31.2
105.07004	5.9
107.04941	2.9
107.08604	8.0
109.06467	1.6
109.10158	4.7
111.04415	1.3
111.08087	1.8
112.19101	0.9
117.07043	1.0
117.62968	0.9
119.08575	2.3
121.06504	3.7
121.10169	2.9
123.08065	1.0
125.09649	6.1
129.07019	1.3
131.08554	1.6
133.10175	2.1
135.08051	3.0
135.11679	1.9
139.11119	1.2
145.10179	1.6
147.11655	1.5
149.13293	2.2
151.11185	1.5
153.09122	1.8
167.10683	1.2
177.12784	2.7
189.11230	4.2
193.12279	1.7
195.13829	2.3
213.14874	1.1
275.20013	8.1
293.21112	100.0
294.21454	3.1
349.14597	1.4
367.15515	1.9
367.24762	27.3
368.25458	1.2
372.59528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01870	5.3
55.05275	1.8
55.05516	24.8
57.03444	8.7
57.07076	1.3
62.23907	1.0
67.05507	19.6
69.03423	2.8
69.07072	15.0
69.34657	3.8
69.35087	5.8
71.04976	2.1
71.08633	44.9
79.05500	17.8
81.03427	6.3
81.06606	1.2
81.07063	17.0
83.04961	4.5
83.08620	5.9
85.06565	1.7
91.05484	6.5
93.07059	11.6
95.04975	6.8
95.08611	8.1
96.29928	1.1
97.06523	2.2
97.10167	10.5
99.08096	32.8
105.07030	6.1
107.04955	3.5
107.08595	10.0
109.06499	2.4
109.10139	4.8
111.08071	2.8
117.07047	2.8
119.08577	2.3
121.06506	4.0
121.10117	3.4
123.08051	1.3
123.11695	2.1
125.09646	7.7
131.08546	3.2
133.10150	3.2
135.08025	1.6
135.11687	3.5
139.11194	2.6
145.10101	3.3
147.11714	1.6
149.09686	1.9
149.13260	2.9
151.11250	2.0
157.10078	1.2
159.11647	1.3
165.12843	1.4
167.10715	1.9
171.10007	1.7
174.25020	1.0
177.12749	3.4
189.11244	3.7
193.12245	1.5
195.13765	1.8
227.12904	1.4
229.19635	1.3
230.02325	1.4
262.17035	1.2
271.06750	1.2
275.20062	13.9
279.10101	1.4
289.12018	1.3
291.10333	1.1
293.21112	100.0
294.21478	2.4
367.20438	1.8
367.24799	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01878	5.7
55.05273	1.8
55.05514	24.1
57.03440	6.5
57.07053	1.7
61.02932	6.0
65.03941	1.3
67.05508	18.9
69.03416	3.9
69.07071	26.0
70.73581	1.4
70.73920	2.6
71.04980	1.3
71.08633	26.2
73.02908	1.9
79.05082	1.5
79.05495	17.8
81.03410	4.2
81.07064	17.6
83.04996	5.7
83.08636	6.0
85.02893	4.5
91.03949	3.4
91.05476	7.3
93.07047	14.8
95.04963	5.2
95.08611	9.0
97.02875	2.2
97.06577	1.4
97.10161	6.5
98.20825	1.3
99.07501	1.7
99.08101	21.1
105.07050	6.5
107.04938	3.3
107.08602	8.3
107.97960	1.0
108.70168	1.3
109.06519	3.1
109.10165	8.3
111.11731	1.5
117.06980	2.3
119.08566	2.2
121.06482	2.9
121.10129	4.4
123.08135	1.3
123.11745	1.4
125.09621	5.2
131.00020	1.3
131.08534	2.0
133.10129	3.2
135.08078	2.2
135.11699	2.7
145.10158	1.7
147.11679	1.3
149.13275	1.5
151.11153	1.7
159.11752	1.5
163.11208	1.3
165.12846	1.4
167.10699	3.4
189.11189	3.1
190.44479	1.1
245.19156	1.2
247.20515	1.9
265.21613	1.8
275.20078	9.4
293.21100	100.0
294.21426	3.2
333.15009	1.5
367.24850	28.2
368.24969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56328	2.8
53.03942	5.3
55.01878	14.6
55.05516	33.7
57.03444	17.2
65.03939	7.9
67.05508	100.0
69.03424	7.4
69.07079	36.3
70.07476	2.5
70.13823	11.1
71.05002	5.6
79.05495	58.8
81.03432	8.0
81.06589	6.1
81.07061	96.0
81.07540	5.5
83.04991	9.7
83.08627	17.2
83.09063	3.5
85.06554	5.5
85.40173	2.5
91.05482	43.1
93.07048	48.3
95.04987	11.3
95.08616	54.4
97.06549	13.1
97.10188	17.4
99.04466	3.2
105.07036	42.5
107.04955	11.8
107.08596	36.2
109.06499	13.9
109.10151	35.7
111.08125	6.3
117.03301	2.9
117.07034	11.5
119.08583	29.5
121.06509	5.2
121.10161	20.6
123.08074	5.9
123.11718	7.0
125.09642	10.1
129.07036	5.0
131.04912	2.9
131.08557	14.2
133.06461	3.3
133.10153	24.8
135.08096	6.4
135.11687	9.3
137.06026	3.6
137.09633	7.1
139.11177	5.0
143.08554	5.9
145.10127	18.3
147.08008	3.7
147.11702	24.9
149.05927	3.9
149.09633	16.0
149.13249	4.5
157.10173	6.7
159.11687	15.5
161.13297	6.2
163.03938	11.5
163.11188	6.9
165.12770	7.1
173.11778	5.8
173.13229	4.2
175.11186	3.8
177.05464	4.4
177.12828	4.0
187.11388	4.1
189.11217	9.1
205.08812	5.5
239.18056	5.1
257.18988	9.4
275.20102	54.2
276.85959	3.0
293.21130	6.3
336.19098	3.0
349.23788	9.4
350.47641	3.1
367.11774	9.3
367.15836	4.3
367.21008	6.0
367.24857	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01868	14.2
55.05516	39.0
57.03433	28.9
67.05511	66.4
69.03420	10.9
69.07069	32.6
70.33139	8.1
70.33495	6.7
71.04990	6.9
78.19132	3.0
79.05502	56.5
81.03422	8.3
81.06590	6.7
81.07061	100.0
83.04987	7.4
83.08634	17.3
85.06535	7.5
91.05481	47.3
93.07040	59.3
95.04963	17.8
95.08624	42.4
97.02868	3.9
97.06537	19.7
97.10155	4.2
99.08120	4.6
105.07046	42.3
107.04947	23.4
107.08599	38.1
109.06514	26.9
109.10180	21.5
111.08097	7.1
113.06024	4.1
117.07021	14.9
119.08593	44.2
121.06511	8.2
121.10123	25.8
123.08081	7.8
123.11721	12.8
125.09674	6.9
129.07019	8.4
129.18079	3.7
131.04974	4.6
131.08577	23.5
133.06544	5.1
133.10133	35.9
135.08083	9.3
135.11703	10.4
137.09576	4.7
143.08537	7.0
145.10147	23.8
147.11670	21.1
147.48640	3.1
149.09647	17.1
149.13120	5.7
151.11165	7.2
157.10184	5.7
159.11682	15.9
160.75377	3.4
161.13229	6.4
163.11201	13.1
165.12798	4.0
169.10132	4.4
171.11627	6.5
173.13216	8.7
175.11194	6.2
177.12758	5.5
183.11789	6.6
184.82915	3.4
185.13289	9.8
187.14864	5.3
197.13205	5.5
201.16367	7.2
203.14368	5.5
207.13893	3.4
219.17464	12.5
229.19519	5.6
239.17969	4.9
247.20625	6.6
257.19000	11.8
275.20099	66.4
275.22891	6.8
293.21130	6.1
303.73724	3.6
335.09167	9.7
349.23862	24.0
367.24921	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01863	6.8
55.05513	43.1
57.03440	18.6
57.07065	1.9
62.11275	1.7
64.69678	1.5
65.03893	2.0
67.05505	51.3
69.03421	5.6
69.06764	1.8
69.07074	14.1
69.59726	11.9
71.04994	3.0
71.08632	49.7
73.01125	1.8
73.63168	1.5
79.05074	3.4
79.05495	38.7
81.03406	5.4
81.07062	41.1
83.04969	9.8
83.08624	19.7
85.06525	2.5
91.05486	19.8
93.07046	27.3
95.04952	16.9
95.08614	21.9
97.06533	4.0
97.10161	22.2
99.08096	36.9
105.07028	16.3
107.04972	6.3
107.08586	27.3
109.06538	4.0
109.10162	16.4
111.08086	3.1
115.05494	1.9
116.37734	1.7
117.07012	7.2
119.08598	8.9
120.60662	1.6
121.06533	4.5
121.10146	7.7
123.08061	3.0
123.11689	3.0
125.09626	25.1
129.07004	1.8
131.00012	4.0
131.08589	6.5
133.10132	10.1
135.08063	5.1
135.11670	5.6
139.11194	4.3
142.99988	2.9
145.10152	6.5
147.11700	3.6
149.09621	3.8
149.13239	3.3
151.11133	6.6
153.09111	2.2
155.08456	1.6
155.10632	2.0
155.99742	1.5
157.10121	2.8
159.11684	3.6
163.11211	3.4
165.12720	6.3
167.10640	2.4
170.99446	1.9
171.10178	2.7
174.99043	7.3
175.99751	1.9
177.12791	5.8
183.11687	1.8
185.01082	4.3
187.11162	2.5
189.00580	12.2
189.11217	14.0
191.14421	1.9
195.13857	3.4
199.02650	1.9
203.02184	5.1
222.08501	1.8
229.19470	2.6
237.05408	2.1
241.07314	2.8
247.20551	3.4
257.19009	2.0
267.15799	2.3
270.08810	2.8
275.20044	22.2
293.21097	100.0
294.21606	2.2
297.07172	2.2
339.15701	2.0
349.23798	3.3
359.60321	1.8
367.14664	4.8
367.24994	25.2
368.31744	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01873	10.7
55.05276	2.5
55.05517	28.7
57.03437	16.0
57.07075	3.2
65.03929	2.8
67.05508	56.2
69.03417	7.7
69.07076	27.4
70.14821	2.3
70.60946	6.7
71.04984	5.9
71.89542	2.4
79.05498	46.9
81.03429	4.5
81.07061	100.0
83.04993	8.7
83.08609	11.7
85.06538	4.8
89.08259	2.2
91.05487	43.5
93.07047	37.1
95.04974	8.2
95.08617	33.7
97.02918	2.5
97.06535	13.1
97.10193	4.0
99.08116	4.7
102.85856	2.3
105.07037	35.8
107.04962	10.4
107.08598	25.7
109.06544	13.6
109.10169	16.5
110.62083	2.2
111.08090	5.2
111.61166	2.2
117.07037	11.0
119.08585	31.6
121.06515	4.4
121.10132	17.1
123.08076	5.8
123.11713	8.6
125.09670	2.8
131.08559	14.7
133.10147	26.5
135.08073	4.8
135.10838	2.4
135.11717	15.3
137.09645	6.1
143.08571	3.8
145.10124	14.3
147.11678	17.0
149.09630	7.1
149.13252	6.1
151.11171	6.1
155.08635	5.2
157.10150	7.4
159.11760	13.6
161.09705	3.4
161.13266	6.9
163.11171	8.4
165.12793	5.8
171.11731	4.6
172.80800	2.4
173.13252	7.0
177.12733	2.9
183.11719	2.8
191.14249	4.3
197.13387	2.6
203.14270	2.6
217.14299	2.7
247.20575	6.6
257.19061	6.7
269.17487	6.2
275.20071	48.6
293.21085	8.2
331.15363	2.2
349.23944	13.8
353.79074	2.1
367.14899	3.5
367.19678	2.5
367.25003	25.5
382.07071	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01873	12.9
55.05512	48.7
57.03445	21.9
59.04994	5.5
65.03940	4.8
67.05506	94.4
69.03429	7.1
69.07069	42.6
69.24373	22.9
70.06568	3.7
71.04995	7.1
77.03932	2.5
79.05495	62.8
81.03419	12.1
81.07058	100.0
82.07419	2.7
83.04970	16.4
83.08621	26.8
84.08160	2.9
85.02911	6.9
85.06541	7.4
91.05473	48.1
93.06482	4.4
93.07045	54.3
94.04131	2.7
95.04967	28.9
95.08612	57.5
97.06527	18.7
97.10183	12.1
98.20722	4.2
99.04451	6.9
99.08098	3.3
103.05459	3.4
105.07035	54.0
107.04953	22.5
107.08597	41.5
109.02811	2.9
109.06505	14.8
109.10146	37.2
111.04440	9.5
111.08076	11.4
115.05462	3.6
117.03402	2.7
117.07035	17.4
117.07723	2.7
119.08587	33.2
121.06513	9.6
121.10155	27.6
123.08076	10.9
123.11707	7.8
125.09615	14.2
128.06207	3.5
129.05421	3.0
129.06993	6.8
130.06554	4.0
130.07608	2.6
131.04871	2.5
131.08586	20.6
133.06464	2.9
133.10133	28.0
135.04424	4.2
135.08067	10.2
135.11691	10.5
137.05962	8.8
137.09613	7.7
139.11224	4.1
141.07021	3.5
143.08585	8.0
144.05650	2.9
145.02853	3.6
145.06447	2.8
145.10132	24.6
147.08070	5.4
147.11670	19.2
149.06023	4.0
149.09624	21.7
149.13229	7.3
151.11256	4.6
153.09145	2.7
155.08545	3.3
157.06519	5.0
157.10133	10.8
159.11710	14.8
161.09578	5.1
161.13263	9.6
163.03897	15.1
163.11200	16.6
165.12759	4.5
169.10150	8.1
171.08066	6.2
171.11688	4.3
173.05914	2.4
173.09705	3.0
173.11742	8.7
173.13313	8.3
175.11234	4.5
177.05418	3.0
177.12793	7.0
183.11729	4.5
185.09557	3.9
185.13164	3.5
187.11293	4.9
189.11205	5.8
189.12808	3.4
195.06586	5.6
197.13284	3.2
205.12305	3.8
223.13309	10.9
227.12444	2.4
228.17397	2.8
229.17874	6.8
239.18040	4.9
247.20668	4.7
257.19034	8.8
265.09311	3.1
275.20065	61.2
281.11487	2.4
286.00632	3.0
293.21240	7.2
321.11490	2.8
335.09253	2.8
339.09509	5.1
349.23709	12.5
367.11557	14.8
367.15549	6.8
367.24954	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.8
55.05516	25.6
57.07067	7.2
61.41124	3.2
65.03926	7.0
67.05509	53.8
69.03423	8.0
69.07069	31.2
71.04987	5.5
79.05499	42.2
81.07059	70.1
83.04984	8.4
83.08615	14.5
83.90813	3.4
85.06524	9.5
91.05479	75.5
93.06496	5.7
93.07051	78.6
95.04964	41.1
95.08611	74.7
97.06522	15.8
97.10198	4.7
105.06325	4.8
105.07033	100.0
107.04956	18.7
107.08596	71.6
109.06511	20.1
109.10168	47.5
115.05448	6.1
116.06242	4.1
116.90096	3.8
117.07034	23.1
119.08590	93.3
121.06515	14.0
121.10149	50.0
123.08090	8.3
123.11719	16.9
128.06209	8.4
129.07014	25.1
130.07777	8.8
131.08580	64.2
133.06525	6.1
133.10136	59.1
135.08075	17.1
135.11653	20.1
137.09660	5.2
141.07016	10.7
142.07759	21.9
143.08563	42.9
144.09323	12.1
145.06459	11.7
145.10127	63.6
146.07269	6.1
147.08026	13.6
147.11690	28.1
149.09618	18.2
149.13239	4.6
153.07022	5.0
155.05965	3.6
155.08545	15.0
156.09346	15.5
157.06482	25.3
157.10117	59.0
158.10866	5.3
159.08073	11.7
159.11699	48.9
161.09612	40.0
161.13231	8.2
161.31003	3.2
163.11179	6.9
165.06950	4.7
167.08556	7.9
168.09280	5.7
169.10130	19.8
169.61784	3.5
170.10760	4.2
171.08073	16.2
171.11723	28.1
173.09619	14.7
173.13293	29.0
175.11230	12.2
175.14751	18.9
179.08553	9.7
180.09378	6.0
181.10121	11.5
182.10921	5.6
183.11682	18.2
185.09610	18.4
185.13269	18.9
187.11269	4.9
187.14816	15.4
189.12709	5.0
194.10944	10.5
195.11696	15.9
196.12402	6.3
197.09636	4.6
197.13266	17.5
199.11226	10.1
199.14838	13.7
201.12798	5.6
201.16388	7.5
207.11531	4.6
209.13226	22.9
211.14856	11.9
213.12726	10.4
213.16344	3.7
215.14487	4.0
223.14825	5.4
225.16315	4.4
227.14270	20.3
239.17949	13.6
255.17421	6.2
257.19037	6.8
267.17621	5.0
269.19019	4.7
271.20746	4.2
275.20328	6.3
293.18747	4.3
331.24435	3.8
335.69031	3.8
349.25076	9.6
367.22522	6.4
367.26416	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01865	6.3
56.05032	7.6
56.96548	4.3
57.03442	12.4
60.04527	10.2
61.02927	10.8
68.99780	7.0
69.03432	39.3
70.06578	10.9
71.41475	6.6
72.08144	14.9
73.02899	8.5
74.06070	9.1
81.03424	25.1
84.04510	17.2
84.08137	32.0
85.02908	100.0
85.06545	38.3
86.09718	21.9
87.00844	42.3
88.04007	7.0
97.02886	49.0
98.97596	18.8
99.04444	15.7
101.07170	4.4
102.05553	5.1
103.07565	6.3
105.01882	67.0
107.04974	7.3
109.02894	24.0
110.07185	31.7
112.51163	4.0
116.98669	7.2
120.08127	35.1
121.08455	5.0
122.07204	9.4
127.03924	74.1
129.01878	6.0
129.10246	16.5
130.10606	5.1
134.02434	4.5
136.07591	6.1
144.66853	3.8
145.04977	44.4
156.07693	8.7
158.99675	7.4
159.02902	12.7
159.11263	7.3
166.08731	7.0
176.10649	4.7
181.06174	4.8
188.07112	9.1
206.08116	8.4
206.11909	3.8
213.03905	5.4
219.01776	5.8
221.12836	12.1
223.15585	6.9
231.05046	17.4
249.06200	5.1
281.75473	3.7
323.10245	8.1
368.09100	7.9
388.68094	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	368.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01866	7.3
55.05272	2.0
55.05514	26.7
56.05835	4.0
57.03443	9.5
57.07075	2.6
58.06595	3.5
60.04272	1.8
60.04533	21.7
62.00493	1.4
65.03900	1.8
67.05509	42.0
68.05831	6.6
69.03426	6.4
69.07075	26.5
70.06598	3.4
70.07404	2.2
71.04996	11.0
71.48565	2.2
72.08138	1.5
79.05495	39.3
79.33061	1.3
80.05836	6.6
80.30776	1.4
81.03411	4.1
81.07059	63.6
81.07535	3.0
82.07388	17.7
83.04965	5.9
83.08624	16.2
84.08153	6.8
84.08973	2.2
85.06536	6.6
86.09715	31.8
88.07616	4.7
91.05486	26.7
92.05813	9.8
93.06490	2.2
93.07047	32.4
94.06574	2.2
94.07367	9.0
95.04982	13.7
95.08616	20.8
96.05299	4.3
96.08125	2.9
96.08940	7.1
97.06552	8.9
97.10175	17.8
97.92794	1.6
98.06886	3.2
98.10511	1.8
99.08067	2.7
100.07632	3.3
105.04504	1.7
105.07032	19.9
106.06686	1.3
106.07374	8.9
107.04942	7.3
107.08588	22.4
108.08920	4.9
109.06498	9.6
109.10165	12.0
110.06067	2.4
110.06895	2.8
110.10500	5.8
111.04502	1.6
111.08062	4.7
112.07617	25.2
113.05978	3.4
114.09166	1.5
117.07026	8.0
118.07330	3.2
119.08593	17.9
120.08130	1.6
120.08914	6.6
121.06503	4.6
121.10143	15.3
122.09657	7.4
122.10487	5.4
123.08041	6.2
123.11699	4.5
124.07597	1.6
124.12039	3.3
125.09633	16.9
128.09825	2.6
128.10722	31.7
129.06975	3.2
130.07420	1.3
130.08640	1.6
131.04898	1.7
131.08565	9.2
132.08885	2.7
133.10162	12.7
134.10474	6.3
135.08049	6.3
135.11717	6.2
136.12041	2.5
137.09630	4.0
138.12785	4.7
143.08614	2.4
145.10120	8.2
146.10475	3.4
147.11684	9.1
147.86244	1.4
148.12024	5.6
149.09621	6.6
149.13239	5.0
150.09985	3.0
151.11191	2.9
152.11517	1.5
154.08617	8.7
154.12271	3.4
157.10107	3.3
159.11685	4.2
160.12022	4.4
161.09583	2.7
161.13324	2.1
163.11166	5.2
164.11566	2.7
165.12723	2.7
172.09714	12.0
172.13312	2.1
173.13217	2.0
174.13654	2.3
175.11172	1.7
177.12738	2.7
179.10593	1.7
180.13806	15.6
182.20137	1.4
185.13278	1.6
187.11180	2.2
189.11240	9.1
195.13727	2.6
207.72527	1.5
216.61067	1.5
221.15469	3.1
223.13292	4.7
230.19820	3.2
240.18300	1.6
248.21033	1.6
258.19299	4.5
268.15573	1.8
270.17792	2.9
273.18530	3.8
275.20139	4.4
276.20425	24.5
277.21719	1.4
290.21085	9.9
291.19467	8.8
293.21161	1.5
294.21399	2.0
308.22211	13.1
332.22250	1.9
350.23444	28.3
368.24408	100.0
369.24719	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	369.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.9
69.03429	3.5
70.06570	3.4
71.47869	2.4
75.27235	1.8
76.84588	1.6
85.02901	7.8
97.02868	4.7
98.97572	7.6
101.00890	14.7
107.04960	100.0
109.02897	2.3
110.97540	3.6
113.00867	2.9
116.98595	2.4
119.01304	1.5
119.01942	15.6
127.02404	3.1
128.98570	2.6
131.01884	4.2
133.03444	1.7
143.00157	2.3
143.01930	13.7
145.03465	8.7
154.95518	1.6
155.01939	11.4
157.03398	4.6
158.99622	3.8
161.02968	24.4
165.04057	3.7
167.01907	2.8
169.03293	1.8
171.09135	2.2
173.02979	10.4
177.00665	1.6
177.02394	2.1
179.01927	2.9
183.05028	2.4
185.02982	8.2
187.04518	3.3
189.10170	2.1
193.03499	1.6
197.03062	12.2
203.04007	13.1
207.05023	11.8
215.04039	2.5
219.05042	3.9
221.05019	5.9
227.03889	1.9
245.05095	42.2
249.06346	3.6
255.05182	1.7
263.06082	6.4
291.07150	4.5
292.24741	2.1
309.08264	12.9
311.66837	1.8
327.09164	4.9
345.04706	3.5
369.05603	7.9
369.10367	38.9
369.15552	6.6
390.12408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01886	0.5
56.96572	3.3
57.03432	0.9
69.03423	2.1
69.70679	0.4
70.06586	0.8
70.53448	1.5
71.04977	0.5
79.05498	1.4
81.03413	0.7
82.93421	0.5
82.99877	1.3
85.02905	3.9
87.61874	0.4
97.02896	2.3
98.97582	8.3
101.00883	12.8
107.04958	100.0
108.05296	1.5
109.02865	0.7
110.07123	0.7
110.97585	1.9
113.00889	3.0
115.02417	0.9
116.98611	2.0
119.01926	12.4
127.02435	2.0
127.03912	0.7
128.98596	1.1
131.01904	4.3
131.04866	0.4
133.03432	0.4
133.48936	0.4
137.00842	1.2
137.02985	1.1
139.02374	0.6
143.00154	1.0
143.01898	9.3
145.03455	4.9
145.04601	0.6
146.99646	0.6
147.02953	1.2
152.98651	1.1
155.01898	5.9
155.04709	1.2
156.02655	0.5
157.03461	3.7
158.99663	2.3
159.01445	1.0
161.02960	18.9
161.56862	0.4
162.03160	0.6
163.04582	0.8
165.03990	3.5
167.01923	1.2
169.03542	1.2
170.99696	0.5
173.02951	5.6
175.04517	0.9
177.00735	0.7
179.01909	2.7
183.05029	1.2
185.02963	7.4
187.04536	2.0
189.03960	2.3
193.03496	1.3
195.04987	0.5
197.02960	10.4
198.03044	0.5
201.00694	0.8
201.04004	0.6
203.04010	10.1
203.05771	0.7
207.05026	7.2
215.04022	1.8
217.03574	0.6
217.05598	0.6
219.01704	2.2
219.05006	2.5
221.04927	2.9
223.04488	0.7
227.04031	1.7
231.04971	4.3
233.06705	1.0
237.02863	1.8
243.05136	1.9
245.05063	27.5
246.05359	0.7
249.06152	3.0
255.05078	0.8
261.06061	0.6
263.06161	4.7
267.01801	0.5
267.07040	0.5
268.30441	0.5
273.06152	0.7
288.08539	5.0
288.58917	1.0
291.07162	2.9
309.08310	7.9
310.08908	0.6
327.09061	3.0
351.09552	0.6
369.10321	23.8
370.10355	1.1
387.05981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.96499	0.7
53.03941	0.9
55.01877	1.6
55.36111	0.7
57.03418	1.1
57.46197	0.7
65.03941	1.2
67.05506	1.6
69.03435	1.5
70.06591	1.4
70.18423	1.5
70.18819	2.2
72.08135	0.9
79.05485	1.2
81.03391	0.9
81.07065	1.1
85.02903	1.5
91.05486	3.1
93.07096	1.1
95.04967	2.3
95.08620	0.9
97.06522	0.9
100.39513	0.9
103.05461	1.3
105.07056	2.0
107.04954	3.9
107.08609	1.3
110.03670	0.8
115.05473	2.2
117.07032	0.9
119.04949	1.0
119.08603	2.9
121.06514	1.9
122.66886	0.7
123.04469	1.9
128.06189	1.9
131.04930	2.6
131.08569	0.9
132.05676	1.4
133.06424	1.2
133.10123	0.9
136.30510	0.8
137.06020	2.6
141.07025	1.8
142.63475	0.8
145.06467	1.0
147.04420	0.9
147.08055	1.0
151.07501	0.8
153.05455	1.8
159.08089	0.9
161.06012	2.1
165.07033	3.0
167.07066	1.4
167.08507	0.8
169.06488	2.9
171.08060	1.5
173.05974	0.9
175.03894	1.0
175.07584	6.2
177.06992	1.0
178.07855	2.1
179.07115	0.9
179.08543	2.2
181.06535	1.1
183.06540	2.5
184.05237	2.3
185.05936	0.9
187.07591	2.0
189.07045	2.2
189.12587	0.8
190.07733	1.7
191.08527	3.9
193.06413	1.0
193.10188	1.0
194.07312	3.9
195.08073	2.8
199.07547	21.0
199.14806	1.0
202.07689	4.5
203.08568	4.0
205.06537	2.9
206.07314	2.3
207.06519	2.6
207.08202	3.7
208.08731	1.5
209.05893	0.9
209.09674	2.1
210.06775	1.2
215.08710	1.2
217.06554	1.3
218.07257	4.2
219.08020	8.4
220.05281	0.9
220.08823	4.4
221.05995	3.3
221.09677	2.6
222.06720	3.8
223.07527	3.7
224.08360	0.9
230.07419	0.9
231.08038	6.4
232.05196	0.9
232.08757	1.6
234.06767	3.4
235.07541	8.0
236.08316	4.1
237.05464	1.4
237.09111	5.9
238.06363	2.4
238.09654	1.0
245.09836	0.9
246.06877	0.9
247.07573	7.6
248.08318	5.1
249.05583	1.5
249.09090	5.2
250.06393	4.1
250.09843	1.5
251.07069	5.3
251.10797	2.8
252.07846	1.5
253.08693	2.0
258.06900	1.5
259.07578	2.0
260.08261	1.4
261.05536	0.9
261.09155	3.2
262.06302	1.1
262.09918	2.6
263.06952	4.2
263.10733	1.6
264.07819	5.6
265.08600	13.8
266.09366	4.4
267.06638	0.8
275.07034	1.8
276.07834	3.3
277.08517	4.1
278.06033	1.3
278.09442	3.0
279.06564	4.4
279.09805	5.0
280.07529	1.3
280.10770	1.9
281.08304	1.5
281.11716	1.2
282.08929	0.9
291.06961	1.0
291.10117	12.4
292.07343	1.7
293.08069	7.6
294.08789	5.1
295.09634	2.8
305.08188	1.3
307.09662	7.7
308.10480	3.2
309.11224	14.9
311.09412	1.5
311.12888	7.2
319.09634	7.7
321.11746	1.0
322.08450	2.2
323.09348	1.5
324.09897	0.9
337.10712	100.0
338.11481	6.0
339.12262	10.0
351.12320	2.2
369.13385	29.8
369.17337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
54.08599	1.2
57.03455	1.3
60.49657	1.2
60.71983	1.5
69.03429	2.2
69.73801	3.2
69.74209	5.0
70.54501	1.4
80.43770	1.3
81.03422	3.5
85.02904	1.6
91.05492	2.7
97.02895	10.1
107.04934	1.9
108.61313	1.3
111.04507	1.2
115.90953	1.5
119.08673	1.5
127.03928	1.3
133.06458	2.3
137.06004	2.9
154.07851	1.4
157.06487	1.9
158.55984	1.2
161.32712	1.7
165.07019	1.9
166.07701	1.6
167.08614	3.1
169.10138	1.6
178.07800	3.9
179.08572	10.1
181.06490	2.7
182.07333	3.9
188.77562	1.2
190.07886	2.9
191.08575	2.7
194.07234	3.5
195.08031	3.9
197.09628	12.8
202.07796	2.3
203.08517	2.7
207.06407	2.1
207.07999	8.6
208.08864	1.4
209.09644	7.1
211.07599	2.5
212.08344	2.5
219.08051	2.1
220.08714	1.5
221.09674	3.7
223.07521	2.7
223.11172	3.6
224.08441	1.7
225.09117	9.6
227.10742	5.1
231.08148	1.9
233.09633	5.8
235.07567	3.7
235.11354	1.9
236.08290	5.3
237.09157	5.2
238.09938	2.1
239.10699	4.2
240.07813	1.7
241.08507	2.0
242.09377	3.8
245.09569	2.6
247.07590	3.4
248.08354	2.3
249.09116	4.6
250.09926	2.6
251.10736	4.4
253.08705	1.6
253.12231	3.6
255.10181	100.0
256.10501	2.5
261.09009	2.6
262.09973	1.6
263.10797	4.0
264.07831	10.1
266.09491	4.0
267.10193	6.0
269.08188	2.4
273.09048	1.3
277.08813	2.4
278.09277	2.2
279.10159	43.5
281.11728	10.0
290.09314	1.5
291.10080	3.6
294.08878	1.3
295.09592	2.7
305.11697	8.8
307.09622	3.8
308.96368	1.3
309.11328	10.6
314.62363	1.2
315.14053	1.3
321.11221	4.8
323.12589	2.3
333.11206	10.9
339.12234	8.3
351.12372	15.7
369.13388	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	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.27735	0.6
53.03919	0.8
55.01863	1.9
69.03426	1.6
69.07063	0.8
69.17841	6.7
70.06596	0.8
76.71481	0.8
79.39179	0.7
81.03414	2.5
84.08145	0.7
85.02895	2.1
91.05460	1.4
93.07062	1.3
95.08592	0.7
97.02896	12.7
103.03915	0.9
107.04951	1.7
109.02875	0.7
118.47129	0.7
118.62551	0.6
127.03876	0.9
131.04991	0.8
133.06470	1.2
137.05980	1.7
157.06488	1.5
159.11954	0.6
161.05939	0.8
165.07010	2.4
166.07793	0.9
167.08531	2.6
169.10063	1.5
169.53163	0.8
171.08052	0.8
178.07808	2.7
179.08543	9.2
181.04944	0.7
181.06439	3.7
181.10147	1.0
182.07259	4.2
190.07767	1.6
191.08537	1.7
193.10147	0.9
194.07231	3.6
195.07988	4.1
196.08670	0.7
197.05876	0.8
197.09627	14.6
199.07425	0.9
202.07707	1.9
203.08545	2.7
205.06451	0.9
205.10037	1.4
207.06322	1.7
207.08026	11.8
208.08762	2.2
209.09631	4.9
210.06746	2.5
211.07712	0.9
212.08270	3.4
213.09174	1.4
215.08577	1.3
217.10083	0.8
218.07239	1.8
219.08029	2.2
220.08749	1.6
221.09610	3.2
223.07500	2.1
223.11195	3.3
224.08408	1.7
225.09151	9.8
226.09749	2.1
227.10567	4.5
231.08160	1.7
232.08762	1.5
233.09668	4.4
234.10281	0.9
235.07620	2.6
236.08403	5.3
237.09103	4.9
238.09785	1.2
239.10666	5.5
240.07739	1.2
241.08643	2.3
242.09407	6.7
243.10149	1.5
245.09740	1.7
247.07535	4.3
248.08359	2.9
249.09048	4.8
250.09966	1.8
251.07080	0.8
251.10681	4.9
252.07892	1.4
253.08662	2.3
253.12207	1.9
255.10165	100.0
256.10522	2.2
261.09109	1.8
262.09879	2.4
263.10754	4.1
264.07819	9.5
265.08621	3.0
266.09424	3.6
267.10199	8.5
269.08133	2.3
269.11734	0.9
273.09219	1.1
276.07803	1.6
277.08527	1.8
277.12347	2.1
278.09311	1.2
279.10162	43.1
280.07617	0.8
280.10785	2.0
281.08441	1.7
281.11716	10.3
283.09464	0.8
290.09424	1.9
291.10089	2.7
293.08295	0.8
293.11679	1.9
294.08896	1.5
295.09802	1.7
301.08133	0.8
305.11734	7.1
307.09589	3.7
309.11267	9.4
318.08810	1.9
321.11252	3.7
323.12866	2.2
333.11154	10.0
337.10803	1.5
339.12338	7.4
351.12277	15.8
369.13370	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01867	5.0
55.05506	6.4
57.03432	8.2
58.14446	3.5
59.04987	11.2
61.02912	7.4
67.05501	9.0
69.03438	47.2
69.07066	4.7
70.06591	26.8
71.05000	4.9
71.48315	5.9
72.08147	12.4
74.49680	3.5
78.00402	3.4
79.05521	8.5
81.03410	10.6
81.07043	6.5
83.04975	8.6
84.08113	6.0
85.02914	48.7
85.06568	5.7
86.09700	13.2
88.92087	3.4
91.05492	27.9
93.07040	13.5
95.04948	8.0
95.08608	8.9
97.02914	19.1
97.06519	5.9
100.39309	3.5
103.05453	10.9
105.07018	23.7
107.04955	100.0
107.05645	7.6
107.08603	19.1
109.02859	6.2
109.06530	51.9
109.10168	4.9
110.37104	3.4
116.07081	9.4
119.04939	4.8
119.08575	31.8
120.08102	15.2
121.06503	9.8
121.10124	10.6
123.08074	53.2
123.11706	6.3
125.09663	3.7
127.03922	18.2
129.07014	12.5
129.10243	6.6
131.04958	22.7
131.08565	33.8
133.06514	8.2
133.10094	10.9
135.08023	5.1
137.05978	15.1
137.09596	6.6
143.08554	8.3
145.04932	11.4
145.10062	8.1
147.08058	31.9
147.11670	15.0
149.05945	8.0
149.09616	32.0
151.07544	73.4
151.11160	8.7
156.09326	10.5
159.04402	19.3
159.08076	5.8
159.11679	5.9
161.06041	4.9
161.13264	12.9
163.11172	13.4
171.11678	16.8
173.09554	4.0
174.10411	6.1
177.05479	12.2
189.09053	4.2
189.12741	85.5
191.14380	5.5
207.06540	9.8
207.13806	80.2
226.75888	4.2
235.07570	4.6
253.08614	48.6
263.13925	10.6
273.14908	5.2
277.08621	4.5
285.95383	4.1
333.16870	4.5
351.17810	4.4
369.13580	11.2
369.19025	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.0
55.01855	4.3
55.05512	18.2
55.21997	2.7
57.03444	7.7
57.07067	3.2
60.08151	3.9
61.60575	3.2
63.33457	2.8
67.05511	52.5
69.03434	15.0
69.07070	13.6
69.50216	14.5
69.50632	6.0
71.05006	4.0
79.05499	84.7
81.03426	27.3
81.07066	41.8
83.04980	14.3
83.08622	10.9
85.02905	24.0
85.06513	4.1
85.11961	2.4
91.05486	68.9
93.07047	100.0
95.04969	20.6
95.08617	31.3
97.02901	10.5
97.06542	6.4
97.10173	4.4
99.04471	8.3
99.08051	3.3
105.04484	3.3
105.07039	45.7
107.04976	8.6
107.08595	26.6
109.02863	18.9
109.06526	7.6
109.10175	10.5
111.08109	3.6
111.15250	2.6
112.67825	2.6
117.07034	10.7
119.08578	28.0
121.10147	10.6
123.08086	7.9
123.11670	3.7
127.03920	26.7
128.06244	4.7
129.07022	25.5
131.08530	4.6
133.06532	4.6
133.10141	11.7
135.11719	3.6
143.08571	10.7
145.10182	13.3
147.08067	3.3
147.11708	60.5
159.08110	3.5
159.11734	3.0
161.09634	7.3
161.13261	17.0
171.08160	3.3
171.11682	43.1
173.13264	4.3
181.36009	3.2
189.12727	24.2
198.18602	9.2
207.13820	49.2
226.93846	3.2
351.18036	5.4
368.42621	8.0
369.12805	3.7
369.23587	5.1
369.27890	11.5
369.31793	4.1
369.35498	3.4
369.42963	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87422	1.9
55.01871	2.4
55.05503	6.2
57.03423	3.5
57.90776	1.9
61.02920	4.3
67.05516	3.6
69.03426	23.9
69.07075	3.3
70.06600	5.8
70.99236	3.8
70.99564	2.6
71.04975	3.4
72.08138	6.5
73.02888	2.6
76.25636	2.0
79.05478	5.9
81.03419	7.9
81.07062	5.4
83.04978	11.2
83.08630	2.9
83.38598	2.1
84.08132	5.2
85.02916	24.3
85.06544	2.7
86.09688	7.6
91.05479	13.8
93.07053	6.4
95.04961	6.4
95.08602	4.5
97.02901	9.1
97.79414	2.0
98.03272	2.3
99.04463	3.5
102.53121	2.0
103.05455	3.5
105.07046	13.9
107.04310	3.2
107.04968	32.4
107.08601	14.7
109.02850	4.5
109.06487	4.5
109.10145	2.9
110.07157	4.1
111.08094	2.7
117.07031	3.8
119.04934	2.4
119.08600	17.3
120.08133	6.8
121.06516	6.5
121.10175	10.5
123.04417	2.5
123.08076	8.8
123.11694	4.7
127.03904	3.3
129.10220	3.3
131.04932	3.5
131.08569	5.0
133.06511	16.5
133.10143	20.5
135.08064	6.0
137.05925	3.1
137.09602	9.2
141.07001	2.6
145.04926	4.0
145.10133	5.9
147.08064	5.8
147.11650	10.8
149.09599	22.7
151.07524	6.3
151.11189	38.3
156.09303	2.7
159.04492	10.5
159.08124	13.0
159.11639	2.8
161.09480	5.1
161.13280	13.2
163.07634	2.7
163.11179	15.7
165.12785	2.3
171.11664	8.2
173.09599	2.4
174.10413	35.9
175.03922	2.5
177.05574	5.3
179.10652	2.1
179.14151	2.5
189.09224	3.5
189.12755	100.0
189.14470	5.4
191.14349	25.1
194.08672	2.3
205.12077	2.7
207.06473	3.1
207.13789	45.1
221.97493	2.1
237.14809	4.2
243.13718	3.3
253.08595	13.9
337.86111	2.4
351.17889	2.7
369.15341	17.9
369.19092	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01861	2.0
55.05508	1.1
57.02455	0.5
57.03438	4.3
57.07058	0.8
59.04995	1.8
61.02930	6.1
67.05503	2.0
69.03430	29.8
69.56573	0.6
70.07527	0.5
70.51699	1.9
71.04993	1.8
73.02906	2.7
79.05476	1.6
81.03418	5.1
81.07037	2.3
83.04996	1.2
85.02910	28.0
85.89539	0.8
86.09756	0.8
87.04474	2.6
91.03976	1.5
91.05486	7.8
93.07047	1.3
95.04982	3.6
95.08625	3.7
97.02900	12.1
99.04457	2.6
103.05502	0.7
105.07036	5.1
107.04946	2.9
107.08588	2.7
109.02882	3.6
109.06519	25.0
109.10143	0.8
111.08086	0.8
115.05454	0.8
116.06220	1.1
117.07002	1.1
119.08572	10.7
121.06464	0.9
121.10162	2.5
123.08072	7.6
127.03927	5.9
129.06999	2.5
130.07806	0.8
131.04955	1.4
131.08571	19.5
133.06502	6.0
133.10114	1.4
135.08081	2.4
137.06000	2.0
141.06960	0.8
143.08554	1.8
145.04956	5.2
145.10120	2.3
146.04121	0.6
147.08057	19.0
147.11688	2.3
149.09631	1.9
151.07547	100.0
152.07936	1.3
156.09311	5.1
157.09869	0.6
159.04390	1.2
159.11685	1.0
161.09662	3.2
161.13248	1.1
163.11192	9.9
165.12738	2.4
171.11702	8.7
177.05524	1.0
189.12743	39.7
190.13135	0.9
191.14220	0.9
196.07211	0.7
203.14363	0.7
207.13811	38.8
231.13785	1.6
249.14877	0.7
253.08565	1.0
255.71796	0.7
297.24762	0.7
337.10767	0.7
369.19016	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00305	7.0
55.05511	10.6
69.03428	50.1
69.07068	9.9
69.15999	78.2
79.05460	17.9
81.03406	10.0
82.58978	8.2
83.04961	10.8
83.08659	10.2
84.08131	23.6
85.02894	28.7
91.05454	17.9
95.04961	8.6
95.08603	18.3
97.02879	10.8
97.83750	9.5
103.05450	8.8
105.07007	16.8
105.26217	7.5
107.04938	30.5
107.08613	11.6
119.08594	12.8
120.08132	43.6
121.06512	12.0
121.10182	7.9
123.08060	37.2
133.06509	78.1
133.10127	7.4
137.05978	67.3
137.09630	11.8
145.10181	8.9
147.08054	10.3
147.11716	13.6
149.09583	14.0
151.07529	25.0
163.11151	15.4
174.10475	10.3
177.10228	21.7
189.12766	58.5
191.14297	33.6
207.06450	14.0
207.13805	100.0
208.05093	8.8
243.13806	10.9
248.08223	9.0
323.08795	9.1
328.20816	9.1
369.13269	31.8
370.22205	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01861	2.0
55.05508	1.1
57.02455	0.5
57.03438	4.3
57.07058	0.8
59.04995	1.8
61.02930	6.1
67.05503	2.0
69.03430	29.8
69.56573	0.6
70.07527	0.5
70.51699	1.9
71.04993	1.8
73.02906	2.7
79.05476	1.6
81.03418	5.1
81.07037	2.3
83.04996	1.2
85.02910	28.0
85.89539	0.8
86.09756	0.8
87.04474	2.6
91.03976	1.5
91.05486	7.8
93.07047	1.3
95.04982	3.6
95.08625	3.7
97.02900	12.1
99.04457	2.6
103.05502	0.7
105.07036	5.1
107.04946	2.9
107.08588	2.7
109.02882	3.6
109.06519	25.0
109.10143	0.8
111.08086	0.8
115.05454	0.8
116.06220	1.1
117.07002	1.1
119.08572	10.7
121.06464	0.9
121.10162	2.5
123.08072	7.6
127.03927	5.9
129.06999	2.5
130.07806	0.8
131.04955	1.4
131.08571	19.5
133.06502	6.0
133.10114	1.4
135.08081	2.4
137.06000	2.0
141.06960	0.8
143.08554	1.8
145.04956	5.2
145.10120	2.3
146.04121	0.6
147.08057	19.0
147.11688	2.3
149.09631	1.9
151.07547	100.0
152.07936	1.3
156.09311	5.1
157.09869	0.6
159.04390	1.2
159.11685	1.0
161.09662	3.2
161.13248	1.1
163.11192	9.9
165.12738	2.4
171.11702	8.7
177.05524	1.0
189.12743	39.7
190.13135	0.9
191.14220	0.9
196.07211	0.7
203.14363	0.7
207.13811	38.8
231.13785	1.6
249.14877	0.7
253.08565	1.0
255.71796	0.7
297.24762	0.7
337.10767	0.7
369.19016	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12756	7.2
54.84935	7.3
55.05506	20.8
57.07068	12.5
67.05509	90.3
69.07065	27.3
69.75632	34.1
71.04980	7.5
71.08622	31.4
79.05493	72.5
81.07055	100.0
83.04997	19.8
83.08605	23.7
91.05473	53.1
93.07053	77.7
95.04974	26.5
95.08624	60.6
97.06540	33.0
97.10181	23.2
98.21392	9.7
99.08099	32.7
105.07054	48.9
107.04976	15.6
107.08593	59.3
109.10166	38.5
117.06998	18.8
119.08607	24.2
121.10143	29.2
123.11701	8.5
125.09647	12.6
131.08588	22.1
133.10153	34.7
135.11702	44.0
141.09196	7.8
143.08539	15.1
145.10104	20.6
147.11687	27.1
149.13229	13.1
151.11183	30.3
159.11661	17.4
161.13277	20.7
163.11208	11.6
165.12743	8.2
171.11664	11.8
177.12805	8.6
179.14333	83.2
189.11201	14.4
189.16112	8.3
224.65541	7.6
227.07220	7.4
259.20523	16.0
269.11688	22.7
277.21637	62.9
325.14413	22.7
351.25302	59.1
369.24329	23.7
369.28217	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.2
54.70446	4.0
54.74750	4.3
55.01880	6.8
55.05515	47.6
55.55762	4.4
57.03441	36.4
57.07075	45.0
60.74763	4.1
61.00830	4.6
67.05510	82.6
69.03416	5.4
69.07074	57.0
71.04977	8.0
71.08623	19.0
79.05501	65.9
81.03437	7.9
81.07061	100.0
83.04970	12.0
83.08612	45.5
85.06547	10.3
91.05486	54.2
93.07045	76.2
95.04960	20.7
95.08006	5.0
95.08613	89.1
97.06548	21.7
97.10165	27.7
98.20818	10.9
99.08105	7.1
105.07041	46.1
107.04961	4.2
107.08598	80.1
109.06528	13.8
109.10149	49.0
109.37401	3.8
111.08090	9.1
111.11698	6.3
117.07027	14.7
119.08588	30.5
121.10144	45.8
123.08056	12.6
123.11698	14.3
125.09616	11.3
125.13229	4.2
128.06226	9.0
129.06989	22.6
131.08548	31.2
133.10139	35.6
135.11708	36.0
137.09648	7.3
139.11140	5.3
141.06985	5.1
142.07761	8.4
143.08604	22.6
145.06453	6.2
145.10158	29.6
147.11671	21.3
149.13245	17.1
151.11198	10.3
155.08585	6.8
157.06520	5.7
157.10133	21.8
159.11717	22.4
161.13264	15.3
163.11243	5.1
163.14813	4.8
165.12614	6.8
167.08713	4.4
169.10097	14.5
171.11702	17.6
173.09700	5.8
173.13306	7.1
175.14824	12.3
179.14359	24.9
183.11702	10.0
185.13283	17.9
187.14803	19.8
189.12666	6.0
193.05063	5.4
197.13222	7.8
199.14838	13.3
201.16386	7.1
205.15993	9.3
213.16362	10.1
221.19035	7.3
224.65562	5.3
227.18021	5.1
241.19469	9.5
245.13901	5.5
246.66978	7.9
259.20624	18.5
269.11792	13.9
277.21588	44.4
313.21710	5.7
325.14276	8.3
338.82425	4.8
341.24634	5.8
351.25726	38.7
369.16656	5.0
369.23639	21.5
369.27829	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13817	1.1
53.03935	3.1
53.35838	1.1
55.01863	4.5
55.05508	18.6
57.03197	1.3
57.03434	15.8
57.07073	15.8
58.61533	0.9
67.05504	38.4
69.03412	1.6
69.06722	1.9
69.07067	17.7
69.49933	7.1
71.04993	6.0
71.08615	1.4
79.05085	1.8
79.05497	22.0
81.03412	6.2
81.06599	2.1
81.07056	39.0
83.04994	6.5
83.08631	8.5
85.02885	3.8
85.06534	4.3
85.09664	2.0
85.10178	32.7
91.05488	17.6
93.07045	20.2
95.04951	12.2
95.08603	20.8
97.06518	4.6
97.10159	6.3
98.20816	2.5
99.08082	3.1
101.06041	1.1
105.07024	20.1
107.04939	4.9
107.08591	15.8
109.06514	4.5
109.10155	35.5
111.08103	2.0
113.08893	2.0
113.09645	28.6
117.07033	1.8
117.92773	1.4
119.08598	5.6
121.10137	8.2
123.08044	4.0
123.11695	5.2
125.09642	3.4
129.07022	2.6
131.08578	6.5
133.10129	19.7
135.11668	3.3
137.09599	2.6
141.12769	1.9
145.10120	3.6
147.11647	7.1
149.09610	6.9
149.13318	2.3
151.11172	8.6
155.10599	1.5
157.10100	2.5
161.13242	2.0
163.11241	2.9
163.14780	1.5
165.12758	30.0
169.12239	7.2
171.10184	1.3
175.14890	1.9
179.14282	3.5
181.12241	2.0
189.11240	1.7
207.13815	3.4
218.33461	1.2
241.19551	1.4
249.22092	2.0
259.20544	4.2
263.27502	1.2
277.21640	60.1
278.21976	1.5
295.22675	100.0
296.23010	2.2
338.56763	1.1
369.26364	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01872	14.6
55.05513	72.6
55.11130	1.9
57.03442	27.0
57.07066	5.3
58.24183	1.7
65.03947	3.3
66.81123	1.4
67.05506	76.0
68.18841	1.6
69.03429	5.2
69.07070	32.0
69.93528	3.6
69.93918	5.0
71.04995	5.8
71.08633	53.1
77.35880	1.5
79.05495	47.0
81.03421	3.8
81.07058	100.0
83.04987	14.0
83.08620	47.7
85.06538	8.0
85.10190	5.6
91.05485	45.1
93.07044	43.2
95.04981	10.8
95.08612	48.5
97.06543	20.0
97.10178	6.1
99.08094	37.3
99.08688	3.2
105.07034	41.2
105.07705	3.1
107.04937	2.5
107.08604	25.0
109.06558	8.6
109.10150	20.1
111.08086	26.9
113.09663	8.6
116.76364	1.8
116.87170	1.7
117.07007	4.5
119.08585	31.0
121.06505	2.8
121.10140	27.8
123.08075	6.7
123.11707	13.5
124.87212	1.9
125.09620	5.4
127.07613	2.4
127.11211	3.6
129.07001	8.1
131.08563	8.3
133.10120	26.1
135.08052	3.6
135.11707	11.1
137.09669	5.2
139.11203	6.7
143.08562	2.0
144.39105	1.9
145.10155	4.1
147.08121	2.1
147.11694	43.9
149.09618	6.1
149.13274	20.3
151.11208	14.0
152.86588	1.6
153.12735	2.5
157.10175	10.0
159.11688	4.0
161.13213	11.0
163.11205	6.0
163.14876	3.0
165.07059	2.2
165.12767	25.0
167.14314	5.0
171.11682	4.4
173.11700	2.6
173.13307	2.3
175.11264	8.9
175.14835	4.6
177.12804	2.6
179.14310	11.0
181.12285	2.2
185.13271	2.1
189.12743	2.6
193.12213	3.0
193.15918	1.7
221.15451	1.8
231.21100	5.0
241.19487	4.7
249.22206	6.7
259.20480	10.6
269.11789	2.3
277.21606	59.0
285.11124	2.5
295.22644	11.2
299.09167	1.8
306.28159	2.1
309.04477	1.7
325.14175	2.6
351.15936	2.8
351.25238	10.1
369.11264	3.1
369.16885	2.4
369.26401	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10026	4.4
53.03954	11.7
55.01872	7.5
55.05516	56.1
57.03442	32.3
57.07081	41.8
65.03954	4.2
67.05506	88.9
68.79703	4.5
69.03427	8.9
69.07073	67.0
71.04978	13.3
71.08641	13.1
79.05502	58.7
81.03421	7.8
81.07061	100.0
83.04986	9.0
83.08620	42.0
85.06548	10.6
91.05492	50.4
93.07054	73.4
95.04975	24.0
95.08612	77.7
97.06554	29.9
97.10161	23.8
99.08109	10.7
102.74336	5.1
105.07050	52.1
107.08605	59.5
109.06569	10.1
109.10172	38.4
111.08098	7.4
111.11730	5.4
113.69304	4.8
117.07021	21.0
119.08588	43.5
121.10161	51.3
123.08097	13.0
123.11701	8.6
125.09646	13.6
125.13268	4.8
128.06239	11.9
129.07007	38.0
131.07062	6.1
131.08574	39.0
133.10150	33.1
135.08018	4.8
135.11703	32.2
137.09627	7.5
141.07019	10.0
141.09081	5.6
142.07803	9.4
143.08568	34.0
145.10130	37.0
145.65404	4.5
147.11699	25.8
149.09682	6.2
149.13304	13.2
151.11185	14.3
155.08551	13.1
157.10170	49.6
159.11719	28.3
161.09607	6.8
161.13260	16.9
163.11208	6.6
163.14888	7.2
165.12766	9.1
169.10149	26.9
171.11678	40.1
173.13254	12.2
173.85590	4.4
175.14842	6.6
177.09166	4.4
177.30074	5.0
179.14357	15.5
183.11708	18.8
185.13272	32.3
187.14842	26.9
189.11264	7.9
193.04953	7.0
195.11807	8.8
197.13263	13.6
199.14922	16.6
201.16371	5.5
203.18132	5.4
205.15933	10.2
209.13266	6.2
211.14732	4.6
213.16437	12.9
221.18944	7.2
225.53587	4.8
227.17924	9.3
241.19528	13.9
246.66910	7.4
259.20520	23.8
269.11639	10.7
277.21689	54.2
313.21524	11.9
325.14334	7.3
351.25781	35.7
369.17200	5.3
369.24063	19.1
369.27954	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.9
55.01870	13.9
55.05513	59.7
57.03187	2.3
57.03442	22.7
57.07066	4.8
65.03931	5.4
67.05506	82.0
69.03429	10.5
69.07070	37.8
69.27802	9.9
69.28210	5.8
70.06544	2.1
71.04980	7.3
71.08631	28.4
79.05495	58.0
81.03422	13.2
81.07056	100.0
83.04977	15.1
83.08623	42.0
85.02890	6.4
85.06531	6.3
85.10180	3.5
89.30814	2.2
91.05485	51.2
93.07043	59.1
94.07410	2.1
95.04979	16.2
95.07985	3.6
95.08605	55.7
97.02895	4.5
97.06534	18.0
97.10155	10.4
99.04468	3.2
99.08096	29.4
105.04557	3.2
105.07028	47.1
107.04945	17.1
107.08595	38.2
109.02888	5.0
109.06519	10.1
109.10155	27.1
111.08073	15.0
113.09647	4.3
117.07021	11.2
119.04917	7.6
119.08596	34.2
121.06496	4.7
121.10143	25.8
123.08043	6.8
123.11696	13.6
125.05984	2.5
125.09613	8.0
127.03922	6.6
127.07552	2.3
128.06175	3.2
129.07027	11.2
131.04903	3.8
131.08553	11.6
133.06490	2.7
133.10135	26.2
135.08003	3.0
135.11694	15.5
137.05962	6.0
137.09621	6.0
137.13199	4.2
139.11186	8.3
141.07008	2.3
142.07777	3.4
143.08559	8.3
145.06491	2.9
145.10121	14.4
147.04419	7.0
147.08037	2.5
147.11694	41.1
149.09624	5.6
149.13275	16.9
151.11168	20.2
153.05437	2.6
153.12779	2.5
156.50140	2.0
157.06380	2.0
157.10117	10.1
159.08051	2.1
159.11681	10.3
161.06010	3.2
161.09602	7.7
161.13240	12.1
163.11168	7.8
163.14793	4.8
165.09111	3.0
165.12793	20.0
167.07077	2.4
167.14267	2.4
171.11687	13.7
173.09509	3.3
173.11739	7.0
173.13184	4.3
175.03889	8.1
175.11237	4.1
175.14827	3.3
175.68329	1.9
177.12646	2.5
179.14296	7.7
181.06224	2.3
183.07982	2.3
185.13274	5.2
187.14732	2.8
189.11168	6.4
189.12753	8.2
189.16470	1.9
193.12186	3.1
193.15817	2.6
195.13782	6.3
199.07561	2.3
202.07675	2.0
207.06497	14.1
207.08200	2.9
207.13783	12.4
209.09622	3.0
211.11259	2.9
219.08170	2.9
221.15443	2.6
223.07602	2.3
229.14388	2.8
231.08037	2.2
231.21072	5.5
234.06837	2.5
241.19493	4.5
249.09091	2.6
249.22098	6.1
251.07101	2.6
255.10045	3.7
259.20575	7.7
263.10690	2.3
269.17444	7.0
277.08658	2.7
277.21634	44.0
279.10172	2.6
295.09778	3.0
295.22769	10.2
305.07889	2.6
307.09888	2.7
309.11203	5.3
313.07025	3.8
323.12408	2.4
337.10626	8.6
338.11035	2.4
339.87170	2.0
351.12054	4.9
351.16031	2.2
351.25360	7.7
369.09262	4.7
369.13626	12.6
369.22079	3.7
369.26514	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.01864	9.3
55.05511	55.7
57.03437	28.9
57.07063	6.1
65.03939	3.8
67.05505	91.1
68.05827	3.0
69.03436	3.6
69.07071	28.6
69.67422	12.5
71.04979	5.3
71.08628	12.3
71.67763	2.3
79.05074	3.8
79.05496	58.2
79.95293	2.3
81.03418	7.1
81.07056	100.0
82.07380	2.0
83.04976	14.5
83.08617	28.7
84.82030	2.0
85.02930	3.5
85.06535	5.4
86.47205	2.2
91.05480	44.2
91.17763	2.2
93.07047	68.8
95.04966	11.1
95.08607	51.5
97.06531	15.3
97.10159	11.8
98.21495	4.8
99.08123	13.4
103.03894	2.8
105.07033	33.2
107.04948	5.0
107.08590	46.3
109.06528	9.5
109.10144	24.3
111.04472	2.8
111.08065	8.2
113.09624	4.5
117.07032	7.8
119.08567	20.8
121.06483	5.2
121.10146	18.4
123.08054	4.0
123.11704	7.9
124.99244	2.3
125.09615	8.3
129.06987	4.9
131.08578	11.9
133.06471	5.5
133.10138	26.1
135.08112	4.6
135.11703	22.7
137.05977	9.5
137.09546	3.1
137.13213	4.1
139.11153	5.1
143.08534	5.2
145.10106	6.9
147.08076	3.6
147.11711	12.7
149.13261	29.8
151.11177	22.4
153.09085	2.6
159.11703	15.3
161.09602	2.9
161.13263	9.4
163.11215	7.8
163.14819	2.2
165.12730	5.9
167.14259	2.3
171.11671	4.5
173.13277	4.8
175.14857	4.1
177.12741	7.1
179.14319	5.4
185.13280	2.8
189.11241	4.2
193.12199	2.3
195.13794	25.2
213.14821	4.6
220.14758	2.4
221.15381	2.8
227.12804	2.9
241.19604	2.9
259.20557	6.4
269.17471	63.3
277.18179	3.9
277.21622	32.3
325.14117	6.8
351.25198	18.9
369.26508	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01867	3.0
55.05515	37.4
57.03444	10.4
57.07080	16.7
64.69453	2.3
67.05509	92.5
69.03408	2.9
69.06736	3.3
69.07076	50.5
69.23299	18.4
71.05002	3.0
71.08629	8.5
73.36138	2.5
79.05502	31.2
81.03446	2.1
81.07062	100.0
83.05008	3.1
83.08627	31.1
85.06549	5.4
89.85068	1.8
91.05493	26.3
93.07053	36.2
95.04983	4.7
95.08614	94.0
97.06531	10.2
97.10174	26.3
98.21553	4.0
99.08083	2.4
105.07044	23.0
107.08612	24.1
107.35784	1.9
109.10165	40.0
111.08092	6.2
111.11719	7.7
117.06987	3.6
119.08603	18.4
121.10146	34.7
123.08070	3.4
123.11706	19.9
125.13237	3.1
128.27242	1.9
128.57222	2.1
129.05540	3.0
131.08574	3.5
133.10150	21.3
135.11699	20.0
137.09679	2.9
137.13258	10.1
143.08578	3.7
145.10132	5.6
147.11696	15.6
149.13229	6.5
151.11163	3.7
151.14841	5.1
157.06490	2.5
157.10098	3.3
159.11725	2.5
161.13289	18.6
163.14833	8.7
165.12788	2.6
165.16406	3.4
171.11705	3.1
173.13341	2.6
174.97472	1.8
175.14838	10.4
177.16383	9.1
179.18004	4.1
187.14871	2.9
189.16397	4.7
191.18001	2.8
200.01637	2.3
203.18024	4.7
207.13869	2.5
207.17615	2.2
217.19493	2.5
259.24225	44.8
265.00168	1.9
277.25290	46.2
324.32559	2.6
342.18228	1.9
349.00516	2.0
351.23187	1.9
351.24609	2.3
351.28998	28.2
369.24008	10.3
369.27573	3.4
369.31232	4.4
369.42804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01862	3.1
55.05274	3.1
55.05512	36.0
57.03432	13.8
57.06826	2.2
57.07066	13.1
65.03937	3.0
67.05506	74.1
69.07070	48.4
69.41847	16.7
71.04964	4.1
71.08624	8.1
79.05496	26.1
80.57244	2.3
81.07057	100.0
83.08620	32.3
85.06543	2.6
85.10192	3.2
85.17619	2.1
91.05488	19.1
93.07041	34.3
94.27640	2.7
95.08611	87.8
97.06532	15.4
97.10167	21.2
99.08070	3.7
103.03895	3.4
105.07020	13.1
107.04906	2.7
107.08594	24.4
109.10162	46.1
111.08120	5.1
111.11708	8.3
119.08607	17.8
121.10155	35.8
123.11700	22.3
125.13280	2.4
129.05458	2.4
129.06964	2.8
131.08481	3.8
133.10152	17.2
135.11717	14.0
137.09625	3.2
137.13254	12.3
145.10086	3.3
147.11713	11.5
149.13269	7.9
151.14771	5.5
153.12679	3.1
161.13235	13.5
163.14859	11.2
165.16386	6.5
175.14813	13.3
177.16423	11.8
179.17918	3.8
189.16370	5.4
191.17879	2.4
243.10207	5.9
244.10652	2.7
259.24200	41.8
269.11716	9.1
271.09561	6.2
272.10284	13.6
277.25235	44.1
325.14359	5.1
351.23108	3.4
351.24533	3.5
351.28958	30.0
352.29410	3.0
369.16711	9.7
369.24179	4.5
369.30215	6.8
377.37061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.05516	26.5
57.07064	17.8
67.05498	44.5
69.07069	30.6
71.08624	6.2
71.48869	7.8
74.68693	6.0
79.05498	25.8
80.58434	5.2
81.07062	93.1
83.04992	4.8
83.08604	21.8
85.06537	7.2
91.05487	53.0
92.05797	9.1
93.07046	58.1
95.04954	6.7
95.08609	100.0
97.06531	6.2
97.10176	13.0
101.05989	7.9
105.07033	61.5
107.08607	66.4
109.06477	8.6
109.10166	57.3
117.07024	6.2
119.08591	76.1
121.06562	5.2
121.10159	74.4
123.11691	21.2
129.07043	6.0
131.08566	16.2
133.10143	28.0
135.11690	48.8
137.13217	7.4
145.10094	23.1
147.11684	40.1
149.13231	20.8
154.27766	5.7
159.11691	18.9
161.13252	33.7
163.14816	19.2
171.11713	12.7
173.13193	15.6
175.14828	17.5
177.12733	6.7
177.16389	5.9
179.14270	6.6
187.14809	10.6
189.16336	30.6
191.17963	31.8
198.18488	22.3
201.16411	12.0
203.17960	15.1
205.15814	8.4
215.17929	14.5
217.19493	9.9
227.17937	8.9
229.19469	12.5
241.19434	6.8
259.20609	6.9
259.24152	5.7
277.25040	5.5
327.07932	7.3
333.64151	5.2
351.30533	48.8
369.27567	11.6
369.31549	88.5
369.42603	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.9
57.03441	2.1
57.07079	30.7
69.03423	6.9
70.06570	3.8
70.46505	2.0
70.46817	3.8
71.04993	2.8
81.03419	5.1
81.07066	2.8
82.78699	1.7
85.02915	14.2
85.06548	96.7
89.77465	1.6
93.07071	1.6
95.04989	2.4
97.02900	9.9
106.06023	1.7
107.08585	2.2
107.88417	1.8
109.02879	7.9
109.06514	3.2
124.43359	2.1
127.03933	8.2
131.71715	1.7
137.23549	1.8
145.04974	4.6
145.08601	100.0
169.12259	2.0
191.09190	11.6
209.15475	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48720	1.4
52.23351	1.4
53.03947	1.7
56.16133	1.6
64.36893	1.6
64.43599	1.4
65.79823	1.3
66.05098	1.3
67.05510	2.2
69.03425	5.7
69.72506	7.5
71.04981	2.8
73.04752	1.8
78.04703	3.4
79.05509	7.7
81.07060	2.9
83.04992	1.7
83.08645	1.5
85.02896	6.5
91.05472	6.2
93.07056	3.3
95.04973	36.3
95.08614	3.4
99.04452	6.6
100.93727	1.4
103.05468	4.2
105.07019	8.6
106.04159	1.8
107.04955	18.1
107.08617	1.5
109.10148	3.6
115.05433	4.6
117.07002	2.3
119.08572	5.8
120.08109	2.5
121.06512	4.1
123.04406	5.6
124.05218	3.2
125.09652	1.6
128.06262	2.8
129.06995	8.4
131.04933	3.3
131.08571	3.3
132.05664	4.7
133.06519	3.1
133.10132	9.9
135.08080	2.3
145.06458	2.4
147.08069	3.6
149.06010	3.2
149.09604	5.4
151.03871	2.4
151.11127	2.0
152.04669	2.1
153.05492	2.3
153.09149	9.9
155.04907	2.0
157.06464	2.1
159.08017	5.6
160.05171	2.8
161.05975	7.6
167.07045	100.0
168.07320	2.5
172.05147	2.4
173.05914	1.7
173.13226	3.2
173.30717	1.5
175.07553	28.4
177.05498	3.3
177.09059	2.0
184.05197	1.8
187.07555	19.7
189.07104	2.3
189.09148	4.0
190.07716	2.8
191.07033	6.8
191.14302	7.6
193.08594	2.1
199.07520	7.0
202.07794	2.4
203.08511	1.9
205.06654	1.9
206.07370	2.3
209.08069	2.6
209.15329	13.6
217.08563	3.2
218.07286	2.3
219.08099	3.6
221.09688	3.6
231.08156	1.9
233.09608	2.9
234.06747	2.9
235.07555	1.8
246.06714	2.3
249.09071	6.1
250.09816	2.8
251.06868	2.5
259.07413	1.8
260.08383	2.8
261.09094	7.0
263.07138	1.9
275.06796	1.7
276.07727	1.9
277.08563	5.1
278.09293	3.1
281.11685	7.0
289.08505	3.7
290.09357	1.6
293.11850	2.0
294.08679	3.4
307.09726	2.1
309.11136	10.9
311.09195	2.4
321.11249	5.7
326.11407	2.3
339.12494	1.8
341.13831	10.9
353.13864	5.3
371.15540	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	371.1493
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
53.03944	3.1
55.01879	11.2
55.05507	4.7
57.64852	1.1
59.80270	1.1
60.42837	1.1
64.55466	1.1
65.03944	3.2
65.76205	1.3
67.05485	5.9
69.03443	3.3
69.07066	4.0
69.93191	6.3
70.06599	1.7
71.05014	1.4
77.03968	1.4
79.05491	11.0
81.03414	2.1
81.07058	7.9
82.04212	1.2
83.08660	1.3
85.02910	4.1
86.09734	2.1
89.03931	4.6
91.05434	10.6
93.07043	6.4
94.04185	2.5
95.04988	5.7
95.08608	5.5
97.06561	2.2
97.10152	2.2
98.21403	2.2
99.04507	1.2
101.05994	1.3
103.05469	22.7
105.07034	9.0
106.04134	1.7
107.04970	22.3
107.08612	3.9
109.06543	2.3
109.10174	3.2
110.03667	1.4
111.04453	2.3
111.08163	1.2
115.05482	3.8
117.03378	3.7
119.04955	2.5
119.08642	2.7
121.02840	1.4
121.06514	15.3
121.10155	3.5
122.03661	4.9
123.04440	3.7
123.11756	1.6
124.05236	3.8
125.05994	2.4
128.06229	15.9
129.05562	2.5
129.07014	49.3
131.04938	28.6
131.08603	2.8
133.06493	4.2
133.10147	2.2
134.03654	4.2
135.04462	3.2
137.05988	34.3
140.04726	2.1
143.08562	1.5
144.05661	1.4
145.02800	1.3
145.06534	4.3
145.10054	1.6
146.03645	3.0
146.07300	1.3
147.04407	5.7
148.05186	2.0
149.05980	35.3
149.07127	2.0
149.09512	1.9
151.03934	1.8
151.07564	10.5
152.04781	2.0
155.05992	2.9
155.07045	2.5
157.06503	37.3
158.07262	2.6
159.04401	6.9
159.08040	1.7
161.06024	12.8
161.09663	1.8
162.06708	2.8
163.03943	4.9
163.07542	16.1
163.11226	1.3
165.05499	2.4
165.09119	1.3
167.07051	45.7
171.06584	1.5
171.07964	1.5
173.06097	2.1
174.06767	14.7
175.07564	5.1
177.05482	73.7
178.05801	1.2
181.04951	35.5
181.06543	1.9
185.05931	8.2
187.07571	6.5
187.15005	1.2
189.09111	46.4
190.07797	1.5
191.07033	2.4
191.08589	1.5
199.07491	3.3
201.09081	1.5
202.07835	1.5
203.07031	2.2
203.08705	2.5
207.08098	1.5
215.08600	3.8
215.10616	1.2
217.06572	2.9
217.08614	33.7
217.99246	1.3
218.07242	5.8
219.08119	5.1
220.09073	1.4
224.08549	1.3
231.08075	2.4
232.08960	2.6
233.09700	5.8
235.07603	4.9
236.08350	1.7
246.06786	3.2
247.07666	5.8
248.08456	2.0
249.09171	3.0
250.09900	2.5
251.10956	1.9
253.08775	1.4
259.07736	2.2
260.08289	2.6
261.09091	13.7
262.09796	2.4
263.07181	4.8
264.07767	1.4
265.08578	2.1
275.07013	1.7
275.10660	2.0
277.08624	6.4
278.09445	5.1
279.10199	4.4
285.01254	1.2
289.08633	5.1
290.09219	2.0
291.06772	2.2
291.10205	2.2
292.07352	1.9
293.11865	8.6
293.22690	1.4
303.10397	1.5
306.08939	3.8
307.09741	5.0
309.11194	5.7
311.12643	3.1
321.11212	17.4
322.12131	3.5
335.12756	1.7
339.12152	5.5
341.14029	1.2
353.13617	6.3
371.14966	100.0
372.15433	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
67.05498	2.8
69.03401	4.1
69.90498	9.7
69.90892	4.0
70.06593	5.9
79.05485	11.0
81.07044	7.8
81.48076	2.8
83.04962	3.9
85.02931	2.7
91.05481	10.6
93.07037	6.4
95.08606	5.6
103.05481	6.5
105.07014	8.3
106.06548	12.7
107.04954	29.5
109.06499	3.8
115.05448	8.2
119.08567	3.8
119.58723	3.0
121.06508	3.0
123.04436	10.8
124.05196	3.9
125.05963	4.7
128.06252	5.2
129.06970	5.3
131.04916	5.2
133.06494	4.1
133.10149	4.2
137.05952	17.2
145.06406	3.1
147.08099	7.8
149.06020	3.2
149.09647	4.1
151.03911	6.6
157.06546	3.1
159.08029	7.2
161.05989	12.5
165.07004	3.4
167.07050	100.0
175.07547	30.0
177.05511	4.0
179.07079	3.2
179.08582	3.9
187.07520	18.6
189.09125	7.4
190.07774	4.8
191.07048	8.7
191.14345	4.0
195.08096	3.5
199.07510	10.0
202.07761	5.8
217.08574	6.5
218.07220	4.1
219.08018	4.0
221.09601	7.9
231.08015	3.3
233.09627	3.9
234.06825	7.1
235.07597	5.5
249.09033	6.9
261.09064	9.1
278.09274	3.8
281.11679	9.3
289.08505	5.7
300.10037	5.0
309.11169	11.2
321.11255	8.5
341.13779	8.2
353.13620	6.5
356.53162	2.9
371.16391	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01852	5.8
55.05489	9.5
57.07075	4.1
65.03934	3.3
67.05495	12.1
69.03407	6.4
69.07060	6.9
71.04989	4.1
71.48573	2.5
71.48953	4.7
79.05491	19.7
80.58360	2.5
81.03409	4.8
81.07056	20.4
85.02940	3.2
86.30701	2.8
91.05450	14.9
93.07062	15.7
94.04202	4.0
94.17609	2.8
95.04959	6.3
95.08612	12.8
97.06530	2.5
99.08065	2.7
103.05444	5.6
105.03345	3.4
105.07008	12.7
107.04955	47.4
107.08607	12.7
109.02882	4.7
109.06516	5.2
109.10142	9.1
111.04440	3.0
111.08067	3.8
115.05447	5.3
116.06306	4.5
117.06984	4.2
118.06505	2.7
119.08549	10.3
121.06532	4.8
121.10134	6.5
122.03630	10.9
123.04409	5.5
123.11694	3.7
124.05198	4.8
127.03926	2.6
128.06227	3.5
129.06995	15.1
131.04907	5.8
131.08572	12.9
132.05724	2.8
133.06509	4.9
133.10100	9.0
135.11674	4.4
137.05980	100.0
138.06400	3.1
139.11137	3.1
141.06972	8.6
144.05675	8.8
145.06458	9.5
145.10104	7.3
147.11688	3.7
149.09605	3.9
149.13271	4.6
151.03905	4.0
151.07520	6.0
151.11023	2.5
156.05692	19.1
157.06490	12.6
158.07260	3.8
159.08070	21.0
159.11684	4.7
160.05241	3.3
161.05959	5.0
163.07404	3.1
163.11198	3.2
167.07047	46.3
169.06441	5.3
172.05206	7.0
173.05933	5.0
173.13225	3.8
174.06804	6.1
175.07602	14.5
177.05424	7.6
177.09206	3.6
178.07835	3.9
179.07025	3.8
181.04941	3.9
181.06435	4.3
181.08604	3.1
184.05081	2.8
184.29636	2.8
186.06729	5.8
187.07562	27.7
189.07088	3.1
189.09076	9.0
190.07808	6.5
191.08572	3.1
193.10222	3.4
195.06557	3.3
199.07578	2.6
201.09113	7.1
202.06236	9.7
203.08650	12.0
205.06468	4.8
205.08441	5.1
206.07176	5.8
207.08102	4.0
209.05991	2.4
211.07526	6.1
215.06950	5.6
215.08754	3.9
216.09583	3.2
217.06578	2.2
217.08583	65.3
218.07243	9.2
219.08049	5.5
219.10173	5.5
221.09573	10.1
223.07372	6.1
224.04726	4.3
224.08441	2.5
226.06252	6.2
231.08034	10.4
232.08809	4.0
233.05943	3.2
233.09686	16.8
234.06801	9.9
235.07594	12.2
237.05341	3.5
239.07066	20.3
240.07587	3.2
241.08549	15.3
242.05650	3.7
243.41028	2.7
246.06761	7.3
247.07492	7.3
247.09714	21.4
248.08372	6.2
248.16403	3.4
249.09068	17.3
250.09724	4.7
251.07030	8.3
251.10751	2.9
252.07790	10.5
253.08578	3.1
257.08109	7.8
260.08331	4.6
261.09109	26.1
262.06302	5.0
262.09872	4.3
263.07043	14.6
263.09869	3.0
264.07895	4.4
265.08545	6.4
266.09335	7.4
268.13562	4.3
269.08051	10.2
271.06033	4.5
277.08536	17.2
278.09253	12.1
279.06564	4.8
279.09857	3.4
280.07260	4.4
281.11639	7.1
285.07556	42.7
286.08157	4.0
289.08569	11.0
291.06381	4.8
293.08023	8.0
293.11710	17.3
294.08972	3.4
295.09653	5.3
300.09897	52.9
301.10553	12.0
306.08871	9.6
307.09512	6.7
309.11227	21.6
311.09122	7.0
313.10666	11.0
321.11276	28.6
322.11780	4.5
323.09134	11.2
326.11417	16.2
327.12067	4.0
338.11481	6.8
339.12213	7.4
341.10278	4.2
341.13806	15.9
353.13730	56.4
360.00565	2.7
371.15048	32.4
383.75900	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01865	2.4
55.05520	7.4
55.05735	1.5
57.03442	2.1
61.02921	4.3
63.86599	1.6
64.01809	1.6
67.05516	2.7
69.03437	13.3
69.07066	4.7
70.06600	2.8
70.63474	2.9
70.63803	1.9
71.04990	2.7
72.08144	4.9
75.11808	1.4
79.05482	4.3
81.03407	6.3
81.07050	8.2
83.04977	11.3
83.08609	10.4
84.08121	3.5
85.02911	20.9
85.06536	1.9
86.09714	2.1
87.04480	2.1
91.05474	2.9
93.07021	7.8
95.04978	14.4
95.08616	4.3
97.02888	8.4
97.06548	2.9
99.04466	2.5
103.03955	1.6
105.07031	5.8
107.04945	2.3
107.08617	12.2
107.64149	1.5
109.02901	2.9
109.06511	3.9
109.10170	6.3
111.08095	2.2
113.09669	1.5
119.04919	1.6
119.08585	4.1
121.06499	2.5
121.10139	9.2
123.08044	3.0
123.11732	2.4
125.05981	1.5
125.09632	4.7
127.03909	5.9
130.08693	3.0
131.08589	2.5
133.10124	4.4
135.08023	12.8
139.11154	6.5
145.04970	4.3
147.11702	2.7
149.09622	100.0
149.13258	6.8
151.11200	8.8
153.09145	3.7
163.11067	1.5
163.14764	2.1
165.12726	8.9
167.06949	1.8
167.14275	10.4
170.10063	1.6
173.13268	5.5
181.12244	4.3
185.81454	1.5
191.14359	20.6
209.15372	59.4
218.46777	1.5
312.01834	1.5
371.16556	10.5
371.20755	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84700	1.4
55.01870	2.2
55.05498	5.0
57.03418	4.0
61.02922	2.8
63.71239	1.4
66.24415	1.5
67.05510	10.9
67.67396	1.5
69.03436	11.7
69.07072	8.0
70.06593	35.8
70.93100	3.4
71.05009	1.8
72.08156	3.5
73.02899	1.6
73.04741	2.5
79.05484	9.2
81.03426	3.4
81.07061	11.5
83.04959	3.7
83.08618	5.9
84.08138	2.3
85.02908	28.8
86.09707	16.0
91.03965	1.6
91.05469	6.2
93.07041	6.6
95.04952	5.5
95.08591	4.1
97.02895	8.5
97.05932	2.6
97.06535	39.3
99.04456	1.8
105.07050	10.7
105.13942	1.5
107.04935	1.6
107.08585	16.6
109.02832	3.0
109.06522	100.0
109.10162	49.6
109.10803	1.0
117.07066	2.2
119.08585	4.3
121.10146	13.8
123.08055	7.5
126.59294	1.8
127.03922	5.0
131.08554	5.8
133.10136	28.6
135.08052	23.6
137.79373	1.5
141.10216	13.6
143.08498	1.7
145.04939	4.9
145.10056	2.2
149.09657	3.1
149.13223	4.6
153.09114	6.4
157.13414	3.9
163.14851	3.0
169.09717	16.8
173.13261	10.5
185.12854	1.7
191.14308	65.3
203.13907	3.9
209.04359	2.8
209.15369	11.6
227.11697	1.8
250.73792	2.0
282.18140	2.9
314.45203	1.6
355.06677	1.7
371.16788	10.7
371.20752	1.9
371.23169	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.89229	4.3
53.03936	10.6
54.07124	4.4
55.05509	31.4
57.03437	10.0
57.07069	25.6
61.02927	10.4
67.05500	13.8
69.03429	49.8
69.07066	25.3
71.01373	5.9
71.04984	12.7
71.23669	9.3
73.02932	9.0
79.05487	19.9
81.03430	25.6
81.07056	88.2
83.04974	46.8
83.08617	42.1
85.02905	100.0
85.06560	27.5
86.06855	12.6
86.09714	9.1
91.05466	11.8
93.07057	28.6
95.04980	50.3
95.08600	14.5
97.02908	41.5
97.06538	6.9
99.04451	22.9
99.05067	5.3
105.07014	12.6
107.08609	54.5
109.02886	47.5
109.06521	42.8
109.10141	36.4
111.08083	18.7
115.03888	7.6
117.27987	4.8
119.08548	12.3
121.06509	6.4
121.10163	44.3
121.93013	4.7
123.08048	11.2
123.11707	26.7
125.06004	6.0
125.09605	6.2
125.13261	8.2
127.03935	67.0
131.08554	7.9
133.10150	16.9
135.08066	18.0
135.11690	6.1
139.11156	7.4
145.04938	21.7
145.08583	20.6
146.08980	15.3
149.13264	53.1
151.11194	21.3
153.09102	22.5
163.14844	10.4
167.14311	70.0
169.04875	5.5
173.13293	18.1
187.06029	13.9
191.14360	36.5
205.07083	23.7
209.15387	65.8
264.03906	5.1
371.20728	21.8
383.43707	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.91464	2.2
53.03930	2.6
53.32568	3.0
55.01871	3.2
55.05510	14.5
55.33801	2.3
57.03447	4.2
57.07076	7.1
57.81050	2.3
67.05502	5.5
68.94923	2.2
69.03425	13.2
69.07058	16.2
71.04967	3.3
71.24786	3.6
79.05492	10.9
81.03416	5.7
81.07061	42.7
83.04984	8.9
83.08618	27.9
85.02911	18.1
91.05505	4.0
93.07053	17.8
95.04986	2.8
95.08633	7.7
97.02910	6.1
97.06530	7.3
99.04470	4.6
105.07045	4.6
107.08617	22.9
109.02902	5.3
109.06528	27.5
109.10168	20.3
111.08073	8.7
112.52613	2.5
121.10152	21.5
123.08086	3.0
123.11709	11.1
125.13276	4.5
127.03931	7.2
133.10138	4.9
135.08052	6.7
135.11781	2.8
137.09608	5.1
139.07625	2.7
145.10081	3.3
149.09627	100.0
149.13264	22.1
151.11237	3.4
153.09178	5.1
163.14828	4.7
165.12767	10.5
167.14334	31.5
173.13332	4.4
191.14272	17.4
207.13844	3.1
209.15392	43.4
211.07498	2.3
227.16560	2.9
353.81516	2.5
371.20438	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05508	1.1
59.14830	0.6
61.02912	0.8
69.03429	1.8
69.14433	7.0
69.14769	1.4
72.08160	0.8
79.05481	1.4
79.14928	0.7
81.03384	1.1
81.07067	1.2
83.04971	1.4
85.02900	5.5
87.04440	0.6
91.05452	0.7
93.07047	3.1
94.72284	0.6
95.08054	0.6
95.08605	2.7
95.92233	0.7
97.02901	1.3
98.11774	0.6
100.11243	1.3
105.07032	2.5
107.04961	1.8
119.08590	0.9
121.06523	0.7
121.10172	4.3
127.03862	1.0
133.10121	1.9
135.08035	0.8
137.09592	1.4
149.09622	100.0
150.09958	1.7
151.11179	1.5
167.07022	3.6
173.13283	1.4
175.07613	1.4
191.14317	9.1
209.15352	14.3
210.14937	0.8
364.15903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03945	2.1
55.01860	1.3
57.03417	2.8
61.02921	2.1
63.27281	1.1
67.05490	2.0
69.03427	12.9
69.07078	1.6
69.85106	5.4
70.68916	1.1
71.05011	1.3
79.05484	1.6
81.03412	4.3
81.07050	2.7
81.40799	1.3
83.04974	4.2
83.08585	1.2
85.02907	27.0
85.16871	1.0
88.02621	1.0
90.63092	1.0
91.03931	1.9
91.05444	2.2
93.07042	2.9
93.59758	1.4
95.04953	2.1
95.08610	3.1
97.02893	6.2
98.21422	1.8
99.04428	1.9
105.07035	3.3
107.04976	1.7
107.08607	7.1
109.02888	2.9
109.06528	4.3
109.10166	2.3
119.08570	2.4
121.10128	8.7
122.07258	1.3
123.08058	2.9
123.11701	2.3
127.03925	3.2
131.08580	1.3
133.10130	1.2
135.08046	3.2
137.09641	7.5
145.04956	4.9
145.10085	1.5
146.24359	1.2
147.11649	2.8
149.09624	9.6
149.13261	6.0
151.11198	15.4
159.09103	1.1
165.12747	41.6
167.07048	4.0
173.13222	2.6
175.07535	2.3
189.06670	1.2
191.14334	9.9
193.15979	1.7
209.15364	100.0
210.15691	3.3
224.32541	1.3
304.27469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86647	21.0
70.00068	19.9
70.50193	34.9
70.50554	45.4
72.71824	16.4
78.03146	20.9
80.10898	20.5
96.79213	17.4
104.87382	21.7
107.08552	21.1
112.03445	17.2
133.10152	100.0
136.07600	26.6
137.09610	61.1
191.14467	35.6
204.18823	24.1
209.15320	24.2
301.58026	19.1
362.14331	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94670	4.6
67.05482	7.8
68.22117	5.2
69.03397	7.6
70.83328	14.4
71.04998	9.1
82.33336	5.3
83.04990	6.2
85.02906	6.4
95.04968	100.0
97.02863	5.9
99.04452	21.0
100.11231	5.3
104.89990	5.3
116.41689	5.6
118.15107	6.0
119.08633	5.3
120.26843	5.1
121.10134	5.7
131.08595	5.4
133.10156	7.6
135.08015	5.2
151.11206	11.4
153.09074	25.2
156.35162	6.6
167.07080	9.3
183.14903	5.1
189.61143	5.4
191.14319	17.7
209.15359	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01877	2.4
55.05519	11.1
56.05028	5.1
57.03435	3.1
57.07068	7.1
59.04991	2.6
60.04530	2.3
60.05621	2.3
60.18684	2.2
61.02936	4.0
65.03931	2.3
67.05505	6.4
69.03431	19.8
69.07081	10.2
70.06605	33.0
70.80626	5.6
71.04995	9.0
72.08160	18.1
73.02909	4.3
73.04762	5.6
79.05492	8.2
81.03424	7.8
81.07064	18.8
83.04982	7.7
83.08623	16.0
84.04520	5.5
84.08150	23.4
85.02911	31.2
85.06573	11.2
86.03213	3.1
86.09724	20.5
88.03983	3.3
89.27456	2.5
91.05411	3.6
91.05872	4.2
93.07051	15.9
95.04976	100.0
95.08633	6.6
97.02917	9.8
97.06525	6.1
99.04463	26.3
101.05981	2.6
105.07044	7.3
107.04955	9.1
107.08603	21.1
109.02888	7.0
109.06528	10.7
109.10145	9.8
110.07183	6.3
112.08725	2.6
116.07105	10.1
119.08583	7.0
120.08109	2.0
121.10159	24.3
122.06089	3.4
122.07187	3.9
123.04459	2.6
123.08058	4.0
123.11741	4.4
125.06017	2.3
127.03949	13.1
129.05508	4.5
129.10249	10.0
130.06508	2.9
131.04968	2.5
131.08548	2.5
133.10156	13.1
135.08081	8.8
135.11673	3.3
136.07565	4.9
137.05975	3.0
139.11212	3.0
141.05693	2.1
143.08633	2.5
145.04988	5.5
145.08592	3.3
146.08954	4.7
147.11612	2.5
149.09654	3.7
149.13268	11.7
151.11209	3.8
153.09103	31.9
155.06055	3.3
163.11279	3.5
163.14864	6.0
163.78612	2.1
167.14348	12.6
169.07649	3.2
173.13176	4.6
187.10873	3.0
191.07094	6.1
191.14378	15.7
198.09096	3.0
209.04498	4.8
209.08083	3.8
209.15401	40.7
210.11264	3.9
239.08234	14.9
249.14658	2.3
272.13632	5.2
285.01010	3.9
318.12885	3.1
353.19193	2.8
355.07233	3.4
371.16870	6.6
371.24695	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	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01871	6.2
55.05278	3.8
55.05516	55.2
55.75384	2.3
57.03431	11.2
57.07058	7.4
57.84122	2.5
59.04986	3.5
59.63650	3.3
67.05510	98.0
69.03435	5.0
69.07072	54.1
71.04990	4.0
71.08633	40.5
79.05497	42.7
81.07058	100.0
83.04979	12.2
83.08622	27.7
85.02927	2.6
85.06541	7.4
87.04460	3.2
91.05453	20.2
93.07050	43.3
95.04961	4.5
95.08611	71.1
97.06530	13.3
97.10183	23.9
99.08098	27.2
101.06028	3.1
105.07043	19.3
107.08596	36.3
109.06489	4.1
109.10157	45.8
111.04441	3.9
111.08075	8.5
113.09631	2.9
117.07018	7.0
119.08591	16.5
121.06519	2.9
121.10167	17.2
123.11710	15.8
125.09624	17.8
129.05482	4.8
131.08566	10.4
133.06482	2.4
133.10133	11.2
135.08076	3.2
135.11697	25.3
137.13246	10.7
145.10139	10.4
147.11682	24.2
149.09624	5.5
149.13226	8.4
151.14847	2.8
153.12747	14.2
159.11688	5.6
159.12909	2.5
161.13284	5.4
163.11183	5.6
163.14836	13.1
165.12741	8.0
173.11713	9.8
173.13277	11.1
177.16463	4.2
179.14290	3.3
181.15958	3.4
187.14806	4.7
189.11255	8.1
191.14246	3.7
195.13937	2.8
201.16476	2.5
201.55777	2.5
209.15276	4.4
227.12747	6.3
243.18872	2.3
243.21027	15.2
245.13928	4.0
261.22168	28.3
279.23206	67.1
353.26923	45.0
371.12680	4.1
371.25681	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	371.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
53.48081	2.6
55.01869	5.8
55.05513	44.7
57.03428	9.6
57.07077	4.9
61.73410	2.6
65.03942	3.2
67.05507	89.2
69.03422	3.7
69.07072	45.2
71.04971	6.3
71.08635	38.6
71.49347	4.1
78.85061	2.7
79.05495	37.4
81.06599	5.3
81.07057	100.0
83.04974	11.3
83.08626	25.6
85.02879	2.6
85.06539	11.1
88.07655	4.6
91.05457	19.4
93.07037	43.9
95.04922	5.9
95.08613	68.5
97.06557	14.3
97.10184	20.3
99.08091	44.2
101.06030	5.0
105.07026	25.7
107.04901	3.6
107.08601	37.7
109.06522	4.8
109.10158	40.5
111.04440	4.4
111.08054	7.1
113.09675	3.0
117.07037	7.9
119.08564	17.4
121.10163	19.5
123.08060	3.6
123.11728	17.6
125.09640	14.7
127.11155	4.2
129.05498	3.6
131.08571	14.4
131.76724	2.7
131.89330	3.0
133.10104	7.5
135.11713	28.4
137.13235	7.3
145.10100	11.5
147.11685	30.5
149.09630	6.2
149.13258	13.0
151.14870	3.5
153.12732	11.5
155.08478	2.6
159.11725	9.7
161.13243	6.3
163.11227	9.4
163.14838	17.0
165.12779	13.4
167.14311	6.9
173.11748	6.0
173.13266	9.7
175.14807	4.4
181.15892	5.7
189.11198	8.5
191.14334	4.7
209.15283	6.3
227.12708	4.7
233.22713	3.9
243.21117	17.8
257.09491	3.0
261.22107	33.6
279.23203	76.1
353.26947	48.3
371.25571	9.5
372.34824	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
54.72106	4.6
55.05514	68.8
55.87123	4.8
57.03429	15.1
57.07069	50.0
67.05509	90.8
68.94699	4.8
69.07069	93.6
69.20918	51.2
71.04990	7.1
71.08633	34.8
79.05497	53.7
81.07053	100.0
83.08617	65.7
85.06513	5.9
85.10184	13.4
85.97043	4.7
91.05463	40.4
92.05812	9.1
93.07050	71.5
95.04966	5.3
95.08612	87.9
97.06547	34.0
97.10166	45.4
105.07038	13.0
107.04968	6.3
107.08592	55.8
108.08093	5.8
109.10155	55.4
111.08100	14.8
111.11677	13.6
119.08524	7.9
121.10142	77.5
123.11705	21.2
125.09632	8.6
133.06471	5.5
135.11678	69.7
137.13261	5.6
147.11646	4.8
149.13290	32.5
153.12694	6.8
157.10098	6.2
163.14813	14.5
167.07021	14.4
175.07622	5.9
177.16393	8.5
179.18018	6.3
205.19714	7.5
261.25815	70.9
263.91992	6.4
279.26855	58.1
353.30682	44.4
371.28778	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.7
54.55504	2.8
55.01867	4.3
55.05516	62.5
57.03444	16.7
57.06840	3.3
57.07082	43.5
66.23138	2.3
67.05509	75.3
69.07073	100.0
71.04993	5.4
71.08282	2.8
71.08637	25.2
75.04482	2.9
79.05495	47.5
81.03374	3.3
81.07060	92.8
81.07533	5.6
81.20511	2.2
83.04994	3.8
83.08161	4.4
83.08624	65.3
85.06541	5.6
85.10192	16.3
89.06032	2.6
91.05477	11.1
93.07049	69.3
94.07425	2.5
95.04971	5.2
95.08616	77.0
97.06541	28.4
97.10175	41.6
101.06023	5.4
103.03902	4.8
105.07038	7.2
107.08608	48.6
109.10165	48.3
111.04452	4.1
111.08131	11.6
111.11746	13.3
115.07546	3.0
119.08578	3.3
121.10157	85.2
123.11703	24.0
125.09676	6.4
125.13253	3.1
129.05478	7.1
135.11703	62.8
137.13216	7.0
139.11186	7.4
145.10109	4.2
149.13260	27.5
151.14799	3.2
153.12775	5.6
157.15799	3.1
163.14847	16.3
165.16364	4.1
167.14452	2.8
173.13298	3.1
177.16382	9.5
179.17960	7.7
181.15785	3.0
191.17897	4.1
195.19434	2.6
205.19562	3.2
219.21120	3.5
228.88699	2.6
258.78925	2.7
261.25836	54.6
268.26389	3.0
279.26862	51.9
353.30521	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.05507	5.5
67.05501	5.3
69.03422	3.8
69.07063	4.7
70.06586	3.6
71.04981	2.9
71.47860	3.2
73.88229	2.1
79.05501	6.3
81.03412	3.3
81.07062	11.8
83.04992	2.5
83.08617	3.0
85.02906	3.7
85.06512	2.9
85.96903	2.4
86.09711	4.0
91.05479	15.3
93.07049	7.6
95.04964	5.0
95.08607	6.2
97.02923	2.0
97.06557	5.7
99.20985	2.1
103.05470	3.8
105.03430	2.2
105.07026	7.5
107.04965	23.2
107.08598	4.1
109.06526	2.6
109.10161	6.7
111.04484	3.3
115.05463	5.3
117.07034	3.2
119.04932	9.2
119.08574	5.4
121.02838	3.0
121.06530	4.2
121.10171	4.2
122.03661	3.9
122.77885	2.2
123.04448	4.8
123.08104	2.1
123.11700	3.3
125.06009	2.3
131.04955	5.0
131.08534	3.8
132.40498	1.9
133.10173	3.3
135.04446	3.7
135.11687	3.3
137.05997	42.6
137.13246	2.3
143.04907	4.7
145.06494	8.5
145.10107	4.1
147.04390	6.4
147.11627	2.8
149.06111	4.9
150.06798	4.4
151.03870	3.8
151.07509	2.6
153.06999	2.3
157.10138	3.3
158.03636	7.9
160.05138	2.8
161.05966	6.3
161.09625	2.3
162.06749	3.8
163.07523	2.3
165.07053	5.4
171.11674	3.2
173.05962	18.8
175.03885	4.2
175.07605	5.8
177.05531	2.7
177.07027	3.1
179.08525	2.7
181.06503	3.5
186.03160	4.5
187.03986	2.6
189.05495	3.2
189.07051	3.5
193.06454	3.3
194.07278	2.6
201.05475	100.0
205.06508	7.4
206.07397	4.7
207.06409	2.7
210.06741	3.3
213.09203	6.0
217.06474	2.7
218.07166	2.6
219.06465	6.1
219.08286	2.8
221.05969	8.2
221.09726	2.5
222.06786	6.7
223.07608	2.6
225.09114	6.8
233.06042	8.0
234.06911	2.8
235.07497	2.7
237.09109	8.4
250.06255	2.7
251.06961	4.1
251.10771	2.9
253.08667	8.8
262.06281	3.7
265.08652	17.0
267.06369	2.4
277.08618	4.5
279.06842	2.7
279.10107	10.2
281.08109	3.4
285.11264	8.4
290.05948	3.0
292.07416	5.5
293.08060	8.7
295.09726	6.1
297.11380	6.1
299.12839	3.7
305.08279	4.4
307.09634	12.4
310.08276	3.3
313.10657	10.6
323.09152	6.8
325.10727	30.3
337.10678	4.9
343.11832	4.8
355.11722	11.4
373.14011	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	373.1907
Annotation	Biocytin
Peak:m/z	Relative Intensity
55.05510	0.8
56.05030	3.3
61.04049	0.6
61.33228	0.3
63.07261	0.4
67.05508	0.7
69.03423	0.5
69.07081	2.1
69.49774	1.8
69.50181	0.9
70.02953	0.5
70.06590	5.6
71.04971	0.5
72.08157	3.3
73.04749	0.4
76.02205	0.5
79.05511	0.8
81.07059	0.5
82.06627	0.5
83.04956	0.4
84.04041	0.7
84.04511	6.8
84.08145	100.0
85.02889	0.7
86.09707	28.6
91.05830	0.7
92.83922	0.4
97.01139	0.9
97.02887	0.5
97.04006	3.8
97.06595	0.5
100.02229	0.4
100.10107	0.3
101.07136	1.2
105.07024	1.4
107.04962	6.9
109.06488	0.4
110.07096	0.5
112.08777	0.6
113.04221	0.5
113.07860	0.4
115.08711	0.9
116.07096	1.4
120.08112	1.0
123.02650	2.3
125.07084	0.5
129.10229	2.4
130.05008	11.3
130.08624	4.4
136.06183	5.7
136.07312	0.6
136.07545	0.6
137.05969	0.9
139.05797	1.1
143.02750	0.4
147.07646	16.6
147.11238	0.6
149.04184	0.6
151.08673	0.4
165.10313	0.4
166.06856	3.0
167.05276	1.5
167.08131	0.4
184.07941	1.7
184.17627	0.4
192.04776	0.7
199.08977	2.2
199.18039	5.8
203.10284	0.5
209.07465	2.2
209.09157	0.4
211.10840	0.5
227.08493	40.9
227.17549	1.4
228.56503	0.5
247.10016	0.5
260.16129	3.1
268.10489	1.2
310.15836	35.7
311.16144	0.8
329.11972	0.8
357.07056	0.5
373.15445	2.5
373.19043	61.5
374.19241	0.9
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	11.2
59.13283	5.0
67.05497	14.8
69.03445	7.1
69.07063	16.5
69.93978	30.3
81.07053	24.0
83.04977	9.7
85.02901	8.8
85.06546	7.4
93.07046	10.0
95.08613	27.9
99.08121	6.2
105.06992	8.6
107.08582	24.6
109.06504	9.2
109.10156	100.0
119.08591	38.0
121.10140	14.3
123.08056	12.8
131.17818	6.3
133.10114	22.1
135.10712	7.1
135.11699	96.7
137.05988	20.2
137.09608	17.4
144.82358	5.6
145.83742	5.6
147.11734	6.3
149.13281	9.4
151.01518	6.2
151.11147	11.2
151.14806	12.6
175.14827	41.1
193.15892	68.3
211.16948	62.4
267.69693	5.7
282.62738	6.3
286.67578	6.1
356.64005	6.0
373.14081	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	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46278	4.4
55.01861	6.5
55.05505	11.0
57.03440	7.2
59.90952	5.3
67.05502	27.4
69.03425	9.5
69.07062	7.2
69.46470	24.1
69.46893	10.9
70.06589	7.5
79.05491	11.8
81.03428	7.5
81.07062	20.1
83.08624	7.1
85.02912	42.8
85.06539	20.1
91.05470	9.7
93.07052	14.3
95.08614	40.5
97.02895	13.0
99.08113	9.2
105.07067	10.3
107.04953	19.0
107.08607	15.6
109.06519	9.1
109.10168	47.0
111.08092	9.1
115.07553	7.3
119.08568	16.8
119.21250	5.3
120.08135	6.0
121.10160	18.4
123.08089	16.5
125.09637	7.4
127.03886	8.5
133.10144	20.5
135.08044	8.3
135.11693	22.4
136.07573	5.0
137.06020	13.2
137.09633	50.8
145.10173	5.7
147.11693	7.1
164.07159	7.0
167.07166	7.9
175.14835	29.9
193.15865	53.2
211.16948	100.0
218.85872	5.7
245.06207	7.1
313.11685	10.0
313.28607	6.4
344.21909	5.2
373.13745	26.3
373.18262	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.2
59.13283	5.0
67.05497	14.8
69.03445	7.1
69.07063	16.5
69.93978	30.3
81.07053	24.0
83.04977	9.7
85.02901	8.8
85.06546	7.4
93.07046	10.0
95.08613	27.9
99.08121	6.2
105.06992	8.6
107.08582	24.6
109.06504	9.2
109.10156	100.0
119.08591	38.0
121.10140	14.3
123.08056	12.8
131.17818	6.3
133.10114	22.1
135.10712	7.1
135.11699	96.7
137.05988	20.2
137.09608	17.4
144.82358	5.6
145.83742	5.6
147.11734	6.3
149.13281	9.4
151.01518	6.2
151.11147	11.2
151.14806	12.6
175.14827	41.1
193.15892	68.3
211.16948	62.4
267.69693	5.7
282.62738	6.3
286.67578	6.1
356.64005	6.0
373.14081	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01878	9.8
55.05512	19.8
57.03426	9.8
67.05490	29.8
69.03426	22.8
69.07076	17.0
70.06589	19.3
71.04978	8.3
71.48541	11.2
71.72513	7.3
72.08142	18.5
73.88905	6.6
79.05473	20.0
81.03405	18.1
81.07053	48.7
83.04964	28.9
84.08126	22.4
85.02922	55.2
85.06542	12.9
86.09695	18.3
91.05490	18.4
93.07034	46.5
95.04965	8.2
95.08614	41.4
97.02893	26.9
97.06522	8.5
99.04453	7.8
99.08131	11.9
105.07024	28.6
107.04953	22.7
107.08608	34.5
109.06534	7.0
109.10147	50.8
119.08585	41.8
120.08111	11.4
121.10123	19.1
123.11753	15.6
123.27699	6.5
127.03931	13.1
131.08589	8.8
133.10114	17.9
135.11697	34.1
137.05992	14.9
137.09631	9.2
138.01070	32.3
145.04945	8.6
145.10094	13.6
147.11699	13.8
149.09615	6.3
149.13216	18.6
151.11131	8.9
163.11105	8.0
163.14825	59.1
173.13185	9.5
175.14819	26.2
185.13065	6.6
193.12070	7.7
193.15901	49.7
201.05482	7.3
205.15851	8.0
211.02731	35.4
211.16910	100.0
221.15321	12.8
223.16988	7.6
235.16769	7.1
313.11700	11.8
323.09937	7.2
337.20013	16.4
355.21216	10.5
373.14005	11.9
373.17960	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03942	8.7
55.01878	9.8
55.05512	19.8
57.03426	9.8
67.05490	29.8
69.03426	22.8
69.07076	17.0
70.06589	19.3
71.04978	8.3
71.48541	11.2
71.72513	7.3
72.08142	18.5
73.88905	6.6
79.05473	20.0
81.03405	18.1
81.07053	48.7
83.04964	28.9
84.08126	22.4
85.02922	55.2
85.06542	12.9
86.09695	18.3
91.05490	18.4
93.07034	46.5
95.04965	8.2
95.08614	41.4
97.02893	26.9
97.06522	8.5
99.04453	7.8
99.08131	11.9
105.07024	28.6
107.04953	22.7
107.08608	34.5
109.06534	7.0
109.10147	50.8
119.08585	41.8
120.08111	11.4
121.10123	19.1
123.11753	15.6
123.27699	6.5
127.03931	13.1
131.08589	8.8
133.10114	17.9
135.11697	34.1
137.05992	14.9
137.09631	9.2
138.01070	32.3
145.04945	8.6
145.10094	13.6
147.11699	13.8
149.09615	6.3
149.13216	18.6
151.11131	8.9
163.11105	8.0
163.14825	59.1
173.13185	9.5
175.14819	26.2
185.13065	6.6
193.12070	7.7
193.15901	49.7
201.05482	7.3
205.15851	8.0
211.02731	35.4
211.16910	100.0
221.15321	12.8
223.16988	7.6
235.16769	7.1
313.11700	11.8
323.09937	7.2
337.20013	16.4
355.21216	10.5
373.14005	11.9
373.17960	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	374.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.06813	0.3
56.96561	0.8
70.49546	0.3
71.48097	0.3
77.03950	0.3
81.07019	0.4
87.04465	0.8
95.04968	0.5
104.04977	2.4
105.07071	0.5
107.04996	0.4
129.09113	1.1
132.04454	100.0
133.04793	1.1
164.07072	30.1
165.07381	0.4
166.00536	0.8
173.07124	0.4
194.00043	2.2
211.02773	1.8
223.02733	0.9
315.16351	1.3
333.17389	2.0
342.06396	3.0
351.18491	0.9
374.27060	0.4
374.31946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32608	0.4
53.12337	0.4
55.01871	1.4
56.05032	0.9
57.03436	1.5
62.39978	0.5
68.13112	0.5
68.59461	0.4
69.03439	1.5
69.07063	4.7
69.45851	2.9
70.06601	2.3
71.01339	0.9
72.08146	0.5
73.02900	0.8
79.05513	0.6
81.03419	0.4
83.06114	0.6
84.04510	13.8
84.08134	1.0
85.02922	1.3
86.09710	52.8
87.10020	2.0
87.96143	0.4
91.05472	0.8
95.04984	0.5
97.02880	0.9
102.05547	5.6
107.04231	1.0
107.04955	20.4
110.27267	0.5
119.03552	0.8
120.08115	0.6
129.06615	4.7
129.10246	0.6
132.10214	13.2
136.06190	100.0
137.06538	0.9
148.06200	2.5
152.10710	0.6
154.92570	0.4
169.13332	0.7
170.11768	2.3
197.12857	9.1
215.13924	17.8
225.12372	1.9
242.10371	57.0
243.10934	0.7
243.13365	6.6
243.15520	0.7
245.18639	0.7
261.14243	0.5
266.48166	0.4
268.10443	0.7
295.28220	0.4
374.14584	27.9
375.14661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
53.41787	0.8
55.01871	3.2
57.03437	3.0
58.07308	1.1
61.02924	2.8
65.03939	2.1
68.15660	0.9
68.99783	2.0
69.03090	1.1
69.03432	12.6
69.50970	3.6
69.51392	3.1
71.04994	1.8
73.02909	3.0
77.09094	1.0
81.03414	9.6
84.04507	1.2
85.02910	43.3
86.09721	6.9
87.00837	19.4
91.05486	100.0
97.02897	15.2
98.20754	1.3
99.04450	6.2
101.02415	1.3
105.01874	29.3
108.04497	1.7
109.02878	13.2
117.01845	1.3
127.03928	33.1
129.01848	0.9
129.06938	1.2
132.10220	3.0
133.06522	1.1
143.03395	1.3
145.04967	16.1
147.02896	1.8
147.64632	1.0
159.02887	6.7
171.02864	1.1
171.08037	1.8
175.07610	2.0
189.03941	2.0
197.12857	1.1
213.04053	1.9
215.14027	1.5
217.08789	1.4
231.05051	9.9
249.06134	2.5
321.09433	1.3
337.23868	1.0
351.44827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16696	0.4
53.03945	0.8
55.92844	0.4
57.03451	0.4
59.09927	0.4
67.19824	0.4
71.41826	0.5
76.28419	0.3
79.05491	1.2
84.08157	0.4
86.09703	0.5
86.83561	0.4
95.04976	0.4
105.04478	0.5
107.04959	74.6
108.05280	0.7
119.03577	0.6
136.06187	100.0
137.06589	0.6
242.10471	2.5
268.10416	27.6
269.10571	0.5
374.14401	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	374.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01865	4.5
55.05506	4.7
67.05489	7.1
69.03431	6.1
69.07068	3.3
69.32181	22.6
70.06600	2.8
71.04977	3.5
73.66778	2.4
79.05492	23.2
81.03418	5.5
81.07068	32.5
83.04956	4.9
84.08147	4.2
85.02943	5.4
85.06529	2.7
86.09735	2.6
91.05488	21.5
93.07047	99.1
95.04968	9.0
95.08579	2.9
97.06532	9.4
99.04472	13.8
105.07030	21.9
107.04964	23.0
107.08604	37.1
109.02826	3.4
109.06513	11.6
111.08125	2.8
119.08562	12.7
120.08125	3.3
121.06522	36.5
122.08112	3.1
123.04450	2.6
127.07599	7.3
129.07040	4.9
131.04962	3.9
131.08583	5.0
133.06508	3.7
133.10138	10.5
135.04414	3.1
135.08064	34.6
135.11676	7.0
137.06007	6.7
139.07513	6.2
142.07767	3.0
143.08585	7.9
145.06505	3.5
145.10170	11.6
147.07991	4.8
147.11674	19.6
153.09114	9.4
157.10143	13.5
161.13200	6.6
163.11191	4.4
171.11693	16.2
173.09598	14.2
175.11159	22.0
189.12718	27.0
191.10687	5.5
193.12195	4.2
199.11171	12.5
207.13741	15.7
212.16499	10.3
217.12248	69.3
218.12866	3.0
235.13275	100.0
241.65662	2.6
253.14304	17.2
340.22150	2.7
374.21719	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	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.1
57.03416	0.4
60.04533	0.6
61.01154	0.3
61.02921	0.3
67.05500	0.4
69.03424	0.8
69.07072	4.5
70.06596	13.5
70.77224	0.9
72.08164	1.6
73.08500	0.3
74.06091	0.3
81.56434	0.3
84.04506	3.2
84.08150	4.5
85.02916	2.1
85.08488	0.4
85.86247	0.3
86.09708	100.0
87.10045	1.1
93.07059	0.3
95.04968	0.4
96.08144	0.5
97.02917	0.8
102.05544	1.4
104.05339	0.8
107.04964	5.2
109.06524	0.5
110.07166	0.5
110.09694	0.5
116.07114	0.6
117.03360	0.3
120.08118	5.9
121.08424	0.3
122.06011	0.5
125.05998	1.2
127.03938	1.1
129.10246	3.3
130.05005	2.5
136.06189	7.1
136.07608	0.5
138.09154	2.4
140.07071	0.8
144.04758	0.6
145.02875	1.0
145.04947	0.4
147.07654	0.9
148.04897	0.4
148.06071	6.4
148.07436	0.6
151.07568	0.8
152.05750	0.6
166.08643	3.9
167.08147	0.5
169.08694	0.4
177.05423	1.7
177.08992	0.3
184.09723	0.4
185.13213	0.3
186.12263	0.4
194.08195	1.5
194.09816	0.4
194.11748	0.5
195.06548	0.9
195.10255	0.4
199.18057	28.8
212.07149	0.6
212.09187	8.1
212.12762	0.8
213.11238	4.5
217.13773	0.5
227.17560	13.3
228.17595	0.4
240.13452	0.4
242.10381	0.4
261.14481	7.6
268.08075	0.3
268.10379	2.0
374.18228	0.7
374.23090	0.6
375.12448	0.9
375.23343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24125	0.2
51.40125	0.2
51.98993	0.2
53.03934	0.8
55.01870	0.7
55.05492	0.6
57.03441	0.5
59.02348	0.2
60.04519	0.4
61.02920	0.6
67.01856	0.3
67.05495	0.3
68.99783	0.3
69.03094	0.3
69.03433	2.8
69.07059	0.6
69.61639	1.6
70.06590	2.9
71.04983	0.5
72.08158	5.1
72.62660	0.2
73.02898	0.8
74.06061	0.3
77.11908	0.2
79.05509	0.4
81.03421	3.0
84.04504	0.8
84.08146	3.1
85.02908	5.5
86.09708	12.1
87.00827	1.6
87.10041	2.6
90.88010	0.2
95.04929	0.3
97.02888	2.2
98.21447	0.4
98.97559	0.3
99.04464	0.9
104.03899	0.2
105.01860	1.1
107.04959	1.8
107.08610	0.3
108.05270	0.7
109.02886	2.8
109.06470	0.3
110.07174	0.4
110.09753	0.2
116.07105	0.4
117.01843	0.4
120.08144	0.4
125.05989	0.8
127.03922	100.0
128.04254	0.9
129.10246	1.7
130.05093	0.3
132.10246	0.3
135.08084	0.3
136.06186	1.6
136.07581	0.3
137.06641	0.3
138.09038	0.2
143.11829	1.4
145.04951	1.0
147.07712	0.3
148.06030	0.3
151.07558	0.8
157.09724	0.7
159.02850	1.4
169.08629	0.5
171.11354	0.5
173.12932	0.6
177.05544	0.3
195.10158	0.5
199.18117	1.1
200.18452	1.3
201.12331	0.5
203.05374	0.4
205.11887	0.7
213.11212	4.4
219.13344	0.5
227.17595	0.5
228.17812	0.7
231.05067	0.4
258.14639	0.3
261.14417	0.4
262.14929	0.5
268.10498	0.3
276.15686	0.3
324.41971	0.2
329.12103	0.9
331.13684	1.4
375.12485	6.1
375.16071	0.6
375.23135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01871	1.3
55.05523	2.6
56.05039	4.4
56.96566	9.1
57.03441	1.7
57.07071	0.7
59.05008	0.5
60.04530	1.6
60.05644	1.8
61.02939	1.7
61.86552	0.5
67.05511	1.8
68.38426	0.5
69.03433	5.0
69.07066	3.0
69.37837	2.8
69.38261	1.5
70.02963	1.9
70.06598	12.6
71.04998	2.0
72.08160	28.6
73.02927	1.9
73.08490	0.6
74.02442	2.0
74.06094	0.8
75.57217	0.5
81.03424	2.4
82.06581	2.1
83.06107	4.6
84.04510	16.9
84.08149	100.0
84.96062	1.1
85.02914	8.6
85.06554	1.2
85.08472	1.6
86.09711	31.9
87.04475	0.8
87.05602	3.2
87.10043	0.7
88.04002	7.6
91.05475	0.5
95.04987	1.3
95.60670	0.5
96.04496	0.8
96.08143	0.7
97.02892	5.5
98.02430	0.6
98.96959	1.2
98.97591	21.2
99.04465	1.5
101.00829	0.7
101.07150	2.6
101.10790	3.1
102.05557	5.3
102.96907	0.7
107.04964	43.1
108.05297	10.1
109.02882	1.6
110.06036	1.5
110.07204	1.0
110.97561	3.1
111.09192	2.7
112.07629	1.3
112.08756	1.9
112.99178	0.8
115.08727	0.9
116.03512	0.6
116.07086	2.1
116.98626	6.6
117.86654	0.5
119.01900	1.7
119.04942	1.0
123.04475	0.5
124.07581	0.6
127.03923	5.7
127.08754	1.1
128.98648	3.1
129.06609	4.4
129.10251	71.9
130.05011	2.7
130.06415	0.4
130.08641	3.5
130.10616	0.9
131.00179	1.2
131.01863	1.0
132.10188	1.4
133.06099	11.1
134.04500	4.1
134.99678	1.5
136.06203	19.7
136.99469	0.7
137.06648	7.3
138.09161	0.7
139.05080	0.5
139.08649	3.3
140.08173	0.5
140.98621	0.8
141.06635	1.1
141.10187	0.7
143.00160	2.2
143.01958	1.2
143.11816	0.7
145.01727	0.9
145.04980	1.2
146.99635	1.8
147.07655	3.0
147.11298	4.0
148.06073	3.2
155.01855	0.7
155.11815	0.6
156.10219	0.8
157.01654	0.6
157.03560	0.6
157.09731	0.8
158.09286	1.1
158.99670	6.5
159.03215	1.0
159.11240	0.6
161.01337	1.2
161.02943	1.9
161.04706	1.3
164.07100	0.7
166.96819	0.6
167.08186	0.7
168.05443	2.2
169.05428	0.5
170.03448	0.7
170.11754	0.7
170.99731	1.4
171.03276	0.6
171.11331	0.5
172.94301	0.6
173.01254	1.0
173.02934	0.6
173.12869	1.2
175.02823	0.7
175.11949	1.3
177.00713	3.7
177.05943	0.7
182.03131	0.5
182.99692	0.5
183.11298	2.9
184.10844	4.2
184.97281	0.5
185.03040	0.6
187.02818	1.3
187.06335	1.1
189.00787	0.9
189.04465	0.6
191.03777	0.8
195.03171	0.5
196.14459	4.7
197.12868	6.2
197.16591	1.2
198.12413	1.6
199.10709	0.6
200.13985	1.5
201.00702	1.5
201.12354	2.3
201.14096	0.7
204.06522	1.2
205.08194	0.6
208.10788	0.6
209.09219	8.9
213.04295	4.5
213.05968	0.5
213.09395	0.7
214.15514	1.7
215.13945	5.8
219.01747	6.2
219.05180	0.7
221.05074	1.0
223.02818	0.9
224.13913	1.3
224.17659	0.6
225.12393	1.8
226.08394	0.8
226.11868	15.6
227.06706	0.6
227.10268	1.3
228.13452	2.0
229.11832	0.7
231.05405	5.5
231.56992	0.8
231.59007	0.6
233.06758	6.7
233.56987	0.9
237.02866	6.1
241.15460	0.8
242.98439	1.5
243.05222	5.3
243.13403	1.2
243.98206	0.6
244.06139	0.6
244.09230	0.8
244.12930	8.9
245.05009	1.0
247.13031	2.6
248.99208	1.2
249.08261	2.7
255.05441	2.6
260.19720	5.4
262.13919	3.5
268.10425	3.8
269.10663	6.0
270.18262	1.0
273.06393	1.6
279.03870	0.8
285.08212	0.6
294.08618	1.4
303.07397	0.7
309.08328	0.9
310.91537	0.6
315.04147	1.7
319.08914	0.6
321.08594	1.2
325.05914	0.7
329.21887	0.8
330.62039	0.9
333.32367	0.5
339.19986	0.7
340.18665	1.1
357.17743	2.5
357.21313	3.0
358.15698	0.7
358.20020	2.0
363.09634	0.9
375.10425	48.1
375.22855	24.4
376.10507	0.7
395.05801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14436	1.3
53.03939	1.9
55.01868	1.9
57.03429	2.3
59.79106	1.0
61.02921	2.0
65.03948	2.6
67.05501	2.2
69.03426	7.7
70.06600	8.9
71.06913	2.0
71.48524	1.5
79.05478	3.3
81.03407	4.9
81.07039	3.4
84.08145	1.4
85.02902	18.8
85.06502	1.2
86.09705	3.2
89.29433	1.0
91.05482	47.0
93.07043	2.6
95.04961	3.0
95.08611	1.9
97.02893	4.9
99.04453	2.5
103.05504	1.3
105.07002	4.2
107.04958	10.4
107.08646	1.5
109.02866	4.9
109.10148	1.4
115.05375	1.4
119.04944	50.0
119.08615	1.9
121.02817	1.4
121.06496	2.1
127.03929	3.4
128.06210	2.7
129.07014	2.6
130.06537	1.4
131.04907	1.9
132.08133	1.7
133.06506	3.2
133.10168	1.4
137.05972	25.8
142.96751	1.2
143.08562	1.4
145.06490	2.1
147.04422	1.9
151.03873	4.9
151.04985	2.0
151.07504	1.1
157.06488	2.0
161.06004	3.9
163.37956	1.1
167.07127	2.2
167.08603	1.6
170.05978	1.8
171.07976	1.2
185.05762	1.4
187.07504	2.3
189.05600	1.2
195.08112	3.1
211.07471	1.2
213.09106	100.0
213.18442	1.3
214.09427	1.3
223.07460	1.2
241.08585	3.7
253.08641	1.9
255.10170	4.4
273.14795	1.6
279.10211	2.5
301.14413	1.5
309.11334	2.0
321.11157	2.3
325.55252	1.2
375.13940	3.6
375.18402	2.5
379.26990	1.3
380.51898	1.1
392.58173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Annulin C
Peak:m/z	Relative Intensity
55.01865	18.4
57.03420	6.4
57.07067	8.0
65.03938	8.0
67.05515	7.4
69.03418	19.3
69.07070	8.2
70.06586	9.4
71.04976	4.6
71.48631	5.7
73.02921	76.5
79.05505	11.0
81.03410	9.0
81.07058	10.8
83.05006	5.8
84.08147	4.9
85.02913	38.1
85.06530	12.7
91.05493	54.7
93.07053	9.1
95.04968	11.1
95.08621	14.1
97.02887	10.0
97.06532	7.1
103.05495	8.8
105.07027	15.5
107.04966	74.5
107.08574	5.6
109.02869	6.2
109.06461	5.1
109.10185	7.0
110.07166	5.0
119.04945	48.4
119.08571	5.8
120.08034	6.0
121.06510	13.8
121.10169	12.8
123.04436	10.5
123.11686	5.6
125.05983	7.5
127.03951	9.5
128.06203	6.0
131.04962	9.5
131.08551	6.8
133.06474	9.0
135.04404	4.3
135.08174	4.7
137.05981	100.0
137.06964	7.9
143.04854	4.5
143.06995	4.2
143.08580	4.6
145.10085	5.2
146.03612	5.0
147.04396	5.7
147.05577	4.0
147.08136	4.3
149.05960	18.7
151.03896	7.3
151.07494	8.5
153.06976	9.8
157.06461	5.8
159.08086	12.0
161.05968	66.9
163.07535	7.8
165.07022	10.8
167.07028	17.4
167.08458	7.2
167.84196	4.9
169.06422	5.4
171.08003	5.1
173.05942	4.0
175.07715	4.6
177.16400	8.5
179.08594	6.0
181.06462	12.3
182.07312	7.0
183.08144	5.3
185.05986	16.4
189.05537	7.4
191.07057	6.9
193.06555	4.8
194.07259	5.8
195.07988	6.4
197.06013	5.1
203.07002	6.2
208.05232	6.2
209.06056	9.7
209.07953	7.8
210.06778	16.2
211.07533	10.2
213.07318	88.8
213.09152	86.0
213.18549	6.7
221.06094	8.2
222.06763	12.7
223.07530	6.7
224.08356	5.3
225.05464	9.5
225.09109	16.4
233.08070	6.9
235.07564	8.6
236.04593	7.3
238.06238	9.8
240.07791	16.5
241.08611	12.0
251.07080	7.7
253.08607	78.7
255.06717	5.0
255.10236	5.8
258.08920	5.8
265.08597	8.5
268.07394	8.2
269.08011	4.9
270.08875	31.7
273.11264	41.3
279.10074	4.3
281.07965	5.5
283.09549	6.9
285.11148	44.1
291.05630	3.7
295.09457	7.3
297.11469	8.6
299.09122	18.4
311.09216	30.4
315.08609	24.7
325.10751	27.2
327.12268	8.6
345.13272	15.9
357.13412	61.3
371.23911	4.0
375.14804	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	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01876	9.3
55.05501	1.7
65.03934	6.6
67.05492	3.6
69.03425	3.0
69.39812	7.2
69.40241	4.7
71.01347	5.8
79.05499	9.5
81.03414	4.9
81.07040	2.5
85.02906	4.5
91.05487	70.3
92.98586	1.6
93.03408	4.3
93.07047	4.1
95.04977	8.6
103.05472	7.2
105.03403	21.7
105.04532	1.8
105.07042	7.3
107.04988	14.1
108.02071	2.9
108.05714	1.7
109.02895	3.1
109.06548	13.2
111.04436	2.5
115.05451	2.1
118.04157	3.6
119.04946	100.0
121.06505	6.0
121.10046	1.8
123.04425	2.4
123.08066	7.1
124.05236	8.4
125.06007	6.1
127.03926	2.1
129.06967	2.3
131.04921	5.3
131.06009	1.5
133.02808	2.6
133.06487	8.4
135.04411	7.3
135.08055	4.7
137.05988	27.8
146.03625	3.5
147.04427	22.8
147.08005	2.0
149.05997	3.9
150.06804	3.6
151.03920	97.2
151.05013	8.1
151.07545	53.6
153.05482	7.4
159.08028	4.9
161.06001	9.8
163.03900	4.3
165.05569	4.7
166.08554	1.6
167.07018	3.7
175.07530	5.9
177.05493	6.7
178.06244	21.8
179.07042	28.8
180.07811	5.2
187.07538	5.8
195.06627	4.9
196.07329	14.8
203.06996	3.0
205.08603	4.3
213.09065	4.9
253.08493	2.2
311.12717	1.7
315.10202	2.1
327.12271	3.1
357.13501	2.0
375.14603	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	375.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03423	1.8
63.87672	1.2
65.03929	3.5
69.03426	8.3
71.48392	1.2
71.48775	2.0
79.05488	2.9
81.03413	3.1
81.07063	1.1
85.02452	1.6
85.02911	24.8
91.05485	50.1
93.07002	1.8
95.04964	1.7
97.02876	3.3
99.04401	1.1
103.05427	1.6
105.07015	6.3
107.04964	15.0
109.02847	2.3
119.04945	58.2
119.05799	2.8
119.08630	1.2
121.02856	1.6
121.06575	2.0
123.04477	2.2
127.03904	3.1
128.06250	2.2
133.06493	4.8
137.05988	31.4
139.68742	1.3
145.06502	2.5
157.06496	1.8
159.08093	2.4
161.06006	1.6
163.07532	1.4
167.07031	4.5
171.07991	1.8
182.07277	1.5
195.08015	2.6
201.50290	1.4
213.09119	100.0
214.09497	3.0
223.07524	2.1
225.09132	1.7
227.13448	1.3
229.10095	1.3
241.08664	4.0
253.08630	4.2
255.10159	7.4
271.09552	1.7
279.10135	3.2
282.04868	1.3
293.11710	1.9
309.11142	3.2
321.11166	2.6
370.73398	1.5
375.14288	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86898	1.3
53.03944	1.5
55.01873	1.9
57.03437	3.5
58.32404	1.2
65.03940	5.8
67.05494	3.9
69.03432	10.9
79.05489	3.7
79.22819	1.3
81.03420	6.1
81.07058	3.8
85.02905	23.8
91.05486	58.5
93.07053	2.9
95.04963	1.9
95.08630	1.8
97.02885	5.8
97.06495	1.8
99.04417	1.8
103.05434	2.5
105.07069	7.2
107.04971	18.7
107.08588	1.9
109.02880	3.0
109.06553	1.9
109.10158	1.5
111.04446	2.1
115.05526	1.5
117.07016	1.6
119.04947	50.7
119.08640	1.8
121.06507	2.2
123.04479	1.8
127.03914	6.5
128.06232	3.0
131.04926	3.0
131.08583	1.3
133.06517	3.5
137.05981	24.9
137.06952	2.0
143.08476	1.4
145.10133	1.8
157.06512	1.8
157.10185	2.6
159.08038	2.6
161.06030	1.5
167.07074	5.5
167.08441	2.2
185.05943	2.1
195.08134	3.3
197.09697	1.5
213.09123	100.0
214.09540	2.8
223.07552	2.4
237.09055	1.8
241.08675	3.2
253.08612	3.5
255.10196	5.3
321.10953	1.9
330.52161	1.4
375.13489	4.2
375.22256	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	375.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01875	1.4
55.05512	2.5
56.05032	4.9
56.96306	0.5
56.96567	7.3
57.03435	2.2
57.07092	0.6
57.33867	0.4
59.04987	0.7
60.04535	1.2
60.05657	1.1
61.02922	2.1
67.05508	2.2
69.03439	4.7
69.07069	3.4
69.74297	2.6
70.02954	1.7
70.06207	0.7
70.06593	11.8
71.05001	1.1
71.95274	0.6
72.08156	28.7
73.02914	2.0
73.08494	0.8
74.02437	2.3
74.06080	1.2
75.82383	0.5
77.68880	0.4
79.05497	1.3
81.03423	2.3
82.06583	2.0
83.06104	4.5
84.04506	16.8
84.08146	100.0
84.96015	1.3
85.02903	12.0
85.06557	1.0
85.08475	2.0
86.09708	28.6
87.04473	0.7
87.05592	4.2
87.10010	0.6
88.03999	7.7
90.05545	0.7
91.03986	0.6
91.05476	1.0
94.06622	0.5
95.04961	0.9
96.04495	0.5
96.08137	0.7
97.02895	5.3
98.02411	1.0
98.06083	0.6
98.96938	1.1
98.97585	21.4
99.04485	1.2
101.00865	1.3
101.07156	1.8
101.10795	2.4
102.05541	4.8
105.04556	0.5
106.06565	0.4
107.04960	44.6
108.05290	9.8
109.02895	1.2
110.06066	1.0
110.07167	1.2
110.97564	4.4
111.09242	1.7
112.07615	1.8
112.08749	2.3
112.99120	0.7
113.07132	0.9
113.10804	0.5
115.00694	0.6
115.03941	0.5
115.05062	0.8
115.08682	1.1
116.03450	0.8
116.07081	2.2
116.98615	5.9
119.01889	2.7
119.04968	0.8
123.04445	0.9
127.03923	6.4
127.08677	0.9
128.98578	2.7
129.06607	4.4
129.10246	74.8
130.05042	3.7
130.08711	2.7
130.09612	0.6
130.10640	1.2
131.00182	1.1
131.01878	1.3
132.10201	1.5
133.05083	0.7
133.06090	11.9
134.04495	3.8
134.99704	1.2
136.06200	21.4
136.07454	1.0
136.07635	1.0
136.99326	0.6
137.06651	6.2
139.08649	3.4
140.02296	1.2
140.98560	1.1
141.06569	1.8
141.10275	0.9
143.00191	1.1
143.01871	1.0
143.11795	0.8
145.01756	0.5
145.03552	0.8
145.04947	1.3
145.06508	0.7
146.02322	0.8
146.99631	1.4
147.03279	0.6
147.04367	0.6
147.07646	2.2
147.11273	3.7
148.06078	2.6
152.10703	1.1
154.08562	0.7
155.01923	0.7
155.04651	0.8
155.08142	0.7
156.07750	0.6
156.10228	0.9
156.11345	1.0
157.01726	0.9
157.09703	1.1
157.13432	0.8
158.09276	0.6
158.99675	8.4
159.03287	0.9
159.11325	1.0
161.01253	1.1
161.02924	1.8
161.04712	1.6
164.07008	0.6
165.10187	0.7
167.08223	1.1
168.03792	0.5
168.05453	2.0
168.27869	0.5
170.99689	1.9
172.03825	0.5
172.10860	0.6
173.01299	0.7
173.02940	0.9
173.12869	1.4
175.02776	1.0
175.11931	2.5
177.00749	3.7
181.06133	0.7
181.09724	0.9
183.11320	1.9
183.14925	0.6
184.10843	3.5
185.06654	0.6
187.06313	1.2
189.00740	1.3
189.04320	0.7
189.06023	0.9
191.02351	0.6
191.03928	1.2
195.03380	1.1
196.14481	2.9
197.12868	6.4
197.16461	0.9
198.12372	1.7
199.10663	0.8
200.13930	1.2
201.00684	2.2
201.12369	2.5
201.14114	0.6
203.03958	1.0
205.03838	1.0
209.09212	9.0
213.01035	0.6
213.04298	4.8
213.12396	0.7
214.15538	0.7
215.13901	6.2
219.01761	5.3
220.02417	0.5
221.05045	2.0
224.13817	0.9
225.12305	1.9
226.05975	0.6
226.11856	15.6
227.06784	0.8
227.10324	1.9
228.13466	2.0
229.11760	0.8
231.01685	0.8
231.05356	4.6
233.06769	11.3
237.02762	5.1
242.15042	0.6
242.18593	1.1
243.05261	5.4
243.10849	0.5
243.13330	1.3
243.17029	1.3
243.55621	0.8
244.05983	1.5
244.09335	1.1
244.12964	9.1
245.05087	1.3
245.11314	0.6
247.12860	1.6
248.99174	1.4
249.08232	3.3
250.03764	0.7
255.05313	2.9
259.02902	0.6
260.19672	4.0
261.02817	0.8
262.13870	2.9
267.00110	0.8
268.10336	2.5
269.10745	4.4
270.18265	0.9
271.06461	0.8
273.02753	0.5
273.06439	1.7
287.05197	0.7
294.08716	0.8
294.14673	0.6
303.07559	1.7
304.14874	0.5
309.08548	1.2
315.04117	1.6
316.12238	0.7
319.08682	0.8
321.04822	0.5
321.08481	1.5
325.05948	0.6
330.05933	0.8
330.61945	0.7
339.20236	1.2
340.18845	1.0
357.17490	2.0
357.21384	3.4
358.20004	2.0
375.10410	41.4
375.22870	24.5
376.10641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01866	8.2
55.05509	21.8
57.03431	6.1
57.07076	4.2
61.02916	11.0
67.05503	11.0
68.40533	3.4
69.03427	36.4
69.07066	50.8
70.63593	9.3
71.04987	11.0
71.06907	4.3
73.02932	7.4
79.05510	4.2
81.03423	12.5
81.07050	33.3
83.04987	11.3
83.08614	9.2
85.02907	100.0
85.06544	25.4
87.04471	9.0
91.05485	7.2
93.07043	15.5
95.08614	45.4
97.02902	27.7
97.06544	6.6
97.10186	7.8
99.04445	5.9
99.08101	18.0
100.47822	3.7
100.66210	3.5
103.67366	3.6
105.07030	4.6
107.04959	7.6
107.08588	29.7
109.02849	8.5
109.10116	18.9
111.08110	4.7
111.11732	9.2
113.09650	11.1
119.04972	6.1
119.08588	5.2
121.10155	43.3
123.11702	9.1
125.09632	7.3
127.03916	18.9
135.11714	18.1
137.13289	21.8
139.11166	10.0
145.04993	14.9
149.13242	4.4
151.14815	6.2
153.12732	12.6
177.16400	97.8
195.17430	54.8
213.07245	6.2
213.09160	7.6
213.18509	56.1
277.87256	4.4
375.23740	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	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.01863	6.3
55.05511	100.0
57.07064	4.5
57.41230	2.5
62.13459	2.6
67.05503	27.9
68.31211	2.7
69.07065	14.0
71.04979	4.8
71.48989	4.5
73.80042	2.6
79.05489	33.6
81.03394	3.6
81.06596	5.1
81.07059	89.9
83.04980	5.3
83.08624	48.3
91.05483	13.6
93.07040	16.6
95.05001	4.4
95.08598	18.3
97.06557	5.3
102.78713	3.3
105.07046	20.3
106.13171	2.9
107.04956	35.8
107.08605	13.6
109.06524	42.5
109.10164	11.8
111.08077	3.1
117.06995	7.1
119.08582	18.0
121.10136	14.0
123.08000	3.9
123.11684	6.9
131.08560	8.7
133.06479	4.1
133.10129	10.6
135.08058	4.5
135.11700	5.5
143.08615	2.9
145.06493	7.8
145.10127	8.7
147.11699	13.0
149.09662	6.0
149.13248	11.5
157.06572	3.3
157.10132	4.4
159.08212	2.8
159.11691	6.0
161.13275	5.7
163.11229	6.3
165.12794	5.7
171.11774	3.7
175.11258	3.7
175.14815	3.1
229.19618	3.1
247.20691	7.0
257.18820	3.6
259.34671	2.9
275.20056	67.4
293.21155	9.6
299.06619	3.1
334.44257	3.6
347.80923	3.0
357.29932	8.5
375.28961	9.1
375.36688	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	376.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
57.03429	2.4
61.02932	1.0
67.05499	0.7
69.03432	4.1
69.07072	1.5
69.81871	3.6
70.06586	1.5
71.04980	1.7
72.08139	1.1
79.05499	0.9
81.03426	3.0
82.06570	1.9
84.08099	0.7
85.02918	7.5
85.30916	0.6
86.09703	1.4
91.05479	0.6
93.63316	0.6
94.06563	0.9
95.08577	1.2
96.08115	1.4
97.02897	2.4
97.06522	4.3
98.17661	0.6
98.21529	0.7
99.04430	1.0
105.06966	0.7
108.08121	0.8
109.02895	0.7
110.06057	0.7
120.08135	1.6
122.09655	1.3
123.08064	1.0
124.07597	29.4
124.08506	1.4
126.09164	1.5
127.03928	1.4
135.12743	0.6
136.11226	3.7
138.09142	18.9
140.10716	2.9
142.10123	0.6
150.12790	11.4
152.10733	1.6
161.09592	1.0
161.55847	0.6
172.08725	2.2
174.91527	0.6
178.12267	13.0
179.10667	0.8
183.63152	0.6
196.13335	7.2
198.06516	0.6
213.12985	0.7
214.14384	100.0
215.14767	1.7
216.07626	1.1
243.08789	5.8
275.65454	0.7
275.90857	0.7
277.31921	0.6
376.15250	0.8
376.19821	3.2
377.14584	8.2
399.07358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2264
Annotation	Ile Ile Met
Peak:m/z	Relative Intensity
56.05037	1.5
57.20479	0.4
58.06580	0.5
61.01162	0.5
67.05502	0.4
69.03422	1.2
69.07068	7.7
69.41476	2.9
70.06588	2.4
72.08173	0.7
81.03417	0.5
84.04478	0.9
84.08132	0.5
85.02913	0.4
86.09706	100.0
87.10033	0.8
91.05488	1.4
95.08611	0.5
97.02876	0.7
99.04518	0.4
102.05537	0.5
103.05551	0.4
104.05349	0.9
107.04974	0.8
109.06509	0.4
116.07088	2.3
119.04940	0.4
120.08106	4.6
124.07568	0.7
127.03918	0.7
129.10223	0.4
133.03194	1.3
137.05975	0.9
137.21916	0.4
150.05844	3.3
152.29533	0.4
172.08765	0.4
192.06654	0.5
199.18063	29.1
227.17538	9.1
233.16513	1.9
263.14297	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	377.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	6.5
70.97505	5.5
70.97836	11.3
76.57260	5.1
79.01131	4.8
84.04530	5.4
84.07729	5.7
84.08143	36.0
97.02877	6.1
98.97541	8.3
106.04499	4.7
107.04984	7.1
119.01982	8.4
129.10263	19.5
134.14833	5.0
143.01913	10.3
296.54785	5.5
333.09540	10.0
365.26239	5.4
377.08530	100.0
377.20514	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	377.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
56.05043	1.2
56.96561	2.4
57.87131	0.6
58.99574	2.2
60.04516	1.9
60.70182	0.7
61.01155	3.6
69.03413	1.9
70.06578	3.0
71.06915	0.8
71.16785	1.6
71.17111	0.8
72.08141	1.3
74.06073	1.5
76.02229	12.5
79.05489	1.3
80.89861	0.7
81.03427	0.8
84.04501	1.6
84.08150	7.0
85.02901	2.3
86.00649	4.1
86.09707	11.0
86.99035	0.9
87.10017	1.2
88.02176	1.8
88.03957	0.7
92.04986	1.9
94.06554	2.9
95.04943	3.9
96.08112	1.4
97.02875	2.0
98.97585	8.4
106.06508	1.9
107.04959	42.4
110.06025	3.1
110.97498	0.8
112.99088	0.9
116.07088	1.7
116.98652	1.7
120.04438	1.2
120.08084	0.9
121.06470	1.0
122.06026	26.5
123.06801	1.0
124.07600	4.4
127.03920	1.4
128.98616	0.9
129.05492	1.4
129.10269	4.1
132.01175	4.6
134.06020	61.9
136.07516	1.0
137.00597	2.8
137.05959	1.0
138.05476	1.1
140.07036	1.4
148.07526	1.8
149.07106	3.2
150.05508	25.1
152.07066	100.0
153.07605	1.4
154.08604	1.3
158.99648	2.7
163.08623	1.3
164.07063	0.9
168.06548	2.4
173.07068	0.9
175.08685	5.4
176.09477	5.8
177.00795	1.3
180.04791	3.1
182.06357	43.4
184.04254	4.4
186.05888	2.2
191.08069	1.0
193.09714	1.3
201.12373	1.6
209.07480	3.7
219.01788	2.0
219.07585	4.1
226.05348	17.5
226.07753	2.3
227.08443	5.9
237.02812	1.8
237.08600	3.9
246.11250	7.5
253.06448	1.1
256.09708	1.6
257.43112	0.8
258.11270	1.7
271.07452	12.9
272.11267	2.9
287.05499	1.0
291.07443	1.0
309.08618	3.9
333.12656	11.0
341.17673	0.8
377.11664	35.1
377.19193	1.8
389.75543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03935	2.2
55.01856	1.1
57.03434	6.7
61.02938	3.3
69.03432	11.5
69.77346	1.3
69.77749	2.5
70.06544	0.8
71.01350	2.7
71.04981	2.8
73.02901	1.6
75.04480	1.6
81.03413	3.3
98.21526	1.0
99.04462	4.8
99.20766	0.7
116.07088	0.9
117.05463	0.9
120.08099	2.4
124.07629	1.1
130.06528	1.3
138.09163	1.1
139.09515	0.8
145.07599	1.8
156.79047	0.8
159.09143	0.9
170.07124	1.1
172.08704	25.9
190.09790	1.1
198.06641	7.2
200.08197	4.0
214.14412	2.5
215.14720	5.0
216.07687	12.6
234.12338	2.3
243.08784	65.5
244.09207	0.9
359.13513	3.7
377.14575	100.0
378.14792	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	377.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.8
55.05499	13.3
57.07083	10.2
67.05493	32.3
69.07066	37.3
69.25147	10.3
69.25551	50.8
70.06596	59.0
71.04993	17.2
71.06905	16.7
72.84953	8.2
79.05491	17.8
81.07059	67.4
83.04990	8.3
84.04486	13.7
84.08111	11.6
85.02866	8.8
85.06549	100.0
86.09701	30.5
91.05479	18.4
93.07047	39.6
95.04967	14.7
95.08615	47.6
97.06535	29.5
105.07013	36.7
107.04940	62.4
107.08588	47.1
109.10162	37.5
111.08082	8.5
116.01482	6.5
119.08545	14.1
120.08089	27.6
121.10124	25.6
123.11728	93.5
125.09646	9.3
127.03938	7.3
127.11249	12.3
129.05495	11.5
133.10115	24.1
135.11705	16.7
137.05998	11.7
137.09563	7.1
137.13219	11.5
139.11192	13.6
141.12813	11.0
145.10138	15.1
147.11705	12.3
149.13248	9.5
151.11198	15.1
153.12746	13.2
159.11758	11.6
169.12216	27.3
175.14738	8.8
175.43279	6.9
183.15042	9.3
184.15318	9.1
189.05458	8.0
201.16191	8.5
215.07057	14.2
219.17563	10.9
237.18506	73.6
288.04309	8.5
305.24789	12.4
377.14240	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	378.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74578	0.6
55.05508	0.7
57.03432	0.8
58.51279	0.6
60.52321	0.6
61.00393	0.5
61.02925	1.0
64.30141	0.5
65.03931	1.4
69.03428	2.5
69.07067	0.8
69.17126	2.7
69.17551	3.4
72.08156	5.8
79.05488	1.3
81.03402	0.9
85.02914	8.8
86.09705	3.8
92.05009	4.2
93.03415	0.7
95.04932	0.7
97.02870	2.9
106.06592	0.7
107.04961	33.7
109.02876	0.7
110.06046	100.0
111.06408	0.8
120.08115	6.9
122.06003	1.6
127.03922	1.4
133.18834	0.6
134.06029	1.6
145.04967	2.3
152.03912	0.5
152.07092	1.2
165.09167	2.7
176.07140	1.1
185.16484	3.2
213.16028	0.9
214.18047	0.7
219.15018	1.5
226.18158	0.8
239.69014	0.6
247.14305	0.7
254.10283	1.2
272.11285	8.2
276.83337	0.6
371.77585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.42202	0.3
56.96567	1.8
57.03432	1.0
61.02920	1.3
65.03941	3.4
69.03426	2.8
70.06596	0.8
70.98101	0.3
71.05006	0.3
71.48260	0.4
72.08167	0.3
73.02912	1.0
77.03909	0.3
79.05504	1.7
80.05022	0.7
81.03423	0.9
84.08148	0.6
85.02905	7.1
85.08479	0.3
86.06036	0.3
86.09654	0.3
86.99918	0.3
87.04458	0.5
91.03972	0.3
92.05008	38.4
93.05302	0.4
93.05801	4.4
94.06573	6.8
95.04951	0.9
97.02900	1.8
98.97576	3.9
99.04463	0.7
100.97285	0.2
101.00876	0.7
105.04514	0.6
107.04959	100.0
108.04556	0.2
108.05300	1.1
109.02955	0.6
110.06046	62.6
110.97580	1.2
111.06375	0.5
112.99140	1.2
113.00863	0.4
115.02374	0.3
116.98631	1.2
119.01911	0.6
122.69970	0.2
126.13404	0.3
127.02396	0.3
127.03929	1.5
128.98651	0.5
129.10265	0.5
131.00172	0.5
131.01845	0.4
132.01988	0.3
133.03488	0.5
139.00662	1.3
143.01895	2.8
145.01678	0.3
145.03484	0.5
145.04977	0.4
146.99646	0.4
148.03926	0.5
148.54024	0.3
152.07086	2.0
155.01855	0.6
157.01738	2.4
157.03401	0.5
158.99670	0.9
161.01181	0.3
161.02975	1.8
170.99617	0.3
173.01349	0.3
173.02985	0.6
174.99197	0.3
175.02797	1.5
175.04327	0.5
176.07152	0.4
177.00739	0.3
178.04944	0.4
185.02948	0.3
187.04533	0.4
193.03430	0.4
199.02792	1.9
199.04507	0.4
203.02226	0.3
203.04012	1.2
212.09248	0.4
213.55444	0.3
217.03830	1.4
219.01802	1.5
220.02112	0.3
221.05055	1.0
237.02859	1.4
237.04956	0.3
245.05220	1.4
254.10280	2.0
259.06683	0.9
260.02899	0.3
260.06857	0.4
272.11292	73.4
273.11624	1.6
275.03693	0.3
279.08801	0.3
280.09500	0.4
283.06570	0.3
295.07166	0.3
297.09091	0.4
298.07480	0.3
301.07861	0.3
319.07095	1.0
337.08017	1.5
378.15564	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	378.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.0
60.04526	2.1
61.01141	2.9
67.05502	0.8
69.07056	0.9
70.02961	1.7
70.06593	63.5
71.47842	1.0
71.48213	0.9
72.08149	4.6
74.06066	1.2
81.03423	1.0
84.04506	5.2
84.08149	5.5
85.02900	1.8
86.09702	5.6
88.03996	4.1
90.80888	0.7
91.05480	2.4
93.07031	2.1
97.02882	1.8
102.05535	1.5
103.05469	4.5
104.05354	4.9
107.04946	5.6
110.07132	1.2
111.85824	0.7
112.02215	3.2
112.08733	0.9
116.07097	100.0
117.07507	0.8
117.48978	0.7
119.04877	0.9
120.08105	86.3
120.32526	0.8
121.08489	1.6
122.06008	1.7
125.07108	1.1
127.03863	1.0
129.05473	0.9
129.10254	3.0
130.03239	3.1
134.05940	0.9
136.07559	4.7
140.07053	0.8
143.11879	0.8
146.09641	1.7
148.06029	0.7
150.05481	0.9
152.07074	3.0
153.07487	1.2
157.10928	0.9
159.05981	0.9
163.07512	0.8
169.13347	1.1
170.06250	0.9
171.07666	3.0
172.07574	1.6
175.08656	0.8
183.11278	2.0
185.09198	1.0
188.07437	2.2
191.11832	2.7
196.06079	8.0
213.08685	1.1
215.13963	0.8
217.09744	7.4
231.09761	7.4
233.09583	2.1
234.99060	1.5
235.10831	11.7
261.09058	1.5
263.10294	7.9
303.31091	0.8
308.77502	0.8
378.16010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.8
57.05810	1.2
69.48647	4.2
72.08160	93.7
72.72815	0.7
73.08525	0.7
76.30317	0.7
77.61948	0.8
81.07044	0.7
85.02901	0.8
86.06088	1.0
86.09711	100.0
91.05460	0.9
93.07072	1.0
96.79910	0.8
103.05486	3.2
107.04980	7.4
110.06059	1.4
120.08114	64.8
121.10183	0.8
131.04930	2.5
137.06030	0.7
166.08665	7.0
173.88008	0.7
185.16505	62.2
186.16774	1.0
197.06073	1.2
198.11313	1.0
199.07582	2.9
199.18730	0.7
210.06827	0.9
213.05537	2.8
213.15993	21.8
216.10474	1.2
216.12367	4.9
216.14291	0.7
219.14938	15.3
219.16917	1.2
226.06439	1.3
227.07137	2.5
228.07837	1.8
233.16682	1.0
234.06601	0.8
238.06308	1.7
238.73817	0.8
240.77844	0.9
242.09396	0.9
243.04744	4.0
247.14391	4.8
251.91312	0.7
256.07346	22.4
256.10031	1.3
261.05875	1.5
265.15503	5.2
271.04321	6.1
279.17017	6.4
289.05295	13.0
304.98044	0.8
378.10141	0.9
389.07150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77827	1.3
55.05510	1.2
57.07064	1.3
67.05484	1.8
69.95165	4.1
69.95578	1.9
70.06553	1.8
73.08961	1.1
80.37692	1.6
81.07060	2.0
84.04524	1.6
85.06532	1.4
86.09708	2.8
91.05485	8.7
95.08593	1.4
98.21497	1.6
107.04958	8.4
120.08071	1.3
141.01862	1.3
165.01846	2.0
181.04977	2.1
207.06615	1.5
226.50887	1.2
227.05309	1.2
271.04230	2.5
293.09943	5.5
313.57498	1.3
335.06976	2.0
335.11017	33.6
379.09991	100.0
380.10281	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03944	2.8
55.05499	0.7
57.03431	0.9
61.02933	3.9
65.35714	0.3
66.47157	0.4
67.05495	1.3
67.92294	0.3
68.99794	5.5
69.03427	2.9
69.07069	0.5
70.06570	0.6
70.76775	0.7
70.77154	0.7
71.04980	0.9
77.03895	0.5
79.05500	0.8
81.02935	0.6
81.03416	11.3
81.07050	1.5
83.04992	0.5
85.02904	9.3
87.00834	3.2
91.05481	1.0
93.07039	0.5
95.04958	0.9
95.08603	0.8
97.02892	2.2
97.06538	0.3
99.04459	1.7
103.05466	45.9
103.16328	0.4
104.05767	0.6
105.01853	0.8
105.04482	0.4
105.07015	1.3
107.04967	1.7
107.08584	1.0
107.43226	0.3
109.02880	8.2
109.06544	0.5
109.10161	0.7
111.08048	0.3
116.44843	0.3
117.06963	0.4
119.08573	0.9
121.06541	0.4
127.02977	0.7
127.03922	13.3
129.01836	7.4
131.04929	100.0
132.05260	1.6
133.10126	0.8
135.11615	0.5
137.05983	1.2
143.08487	0.4
145.10126	0.8
147.02881	4.5
149.05994	1.3
153.01802	0.9
159.11624	0.4
171.11713	0.4
174.30005	0.3
242.05705	0.7
242.09445	0.6
273.09314	0.4
287.20029	0.4
343.09518	0.5
361.10495	1.6
379.10760	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	379.2633
Annotation	Rugulosone
Peak:m/z	Relative Intensity
51.02395	1.4
53.03938	2.9
53.15478	1.4
55.05520	9.1
57.07062	5.0
59.05009	1.4
65.03921	1.9
67.05512	14.2
69.03400	2.2
69.07072	17.2
69.97071	1.5
69.97401	7.0
71.04956	2.6
79.05492	20.3
81.07059	21.8
83.04974	5.3
83.08604	6.4
85.06517	3.6
89.06020	2.1
91.05482	24.5
93.07045	33.8
94.70773	1.6
95.04939	6.0
95.08607	17.4
97.06525	4.4
97.10143	5.8
99.08086	2.1
101.09662	2.8
103.05479	1.5
105.07039	21.8
107.04929	1.7
107.08597	24.2
109.06508	5.2
109.10181	11.0
111.08086	3.4
115.05463	2.7
117.07012	14.1
119.07816	2.5
119.08591	29.5
121.06518	3.1
121.10166	13.2
123.08080	7.6
123.11703	6.8
125.09626	4.8
127.11173	2.2
128.06236	4.4
129.07018	20.7
130.07748	1.8
131.08566	26.3
133.06389	1.8
133.10155	22.3
135.08026	9.7
135.11720	7.8
135.36772	1.6
137.05991	1.9
137.09604	6.4
137.13229	3.3
139.07521	1.6
141.06992	4.4
142.07771	3.7
143.08557	16.3
144.09322	2.7
145.10129	24.3
147.08044	5.2
147.11668	6.7
149.09595	6.4
149.13190	5.0
151.07541	2.3
151.11125	2.5
153.07036	2.8
155.08577	9.2
156.09372	1.9
157.10158	20.1
159.08076	2.9
159.11720	11.7
161.09636	12.7
161.13226	5.6
163.11182	3.3
163.14780	1.4
163.45131	1.8
165.06975	2.5
165.09116	4.2
165.12712	2.3
167.08527	4.6
169.10101	12.4
171.11682	14.8
172.12332	1.5
173.09645	18.6
173.13268	6.8
175.11200	12.0
175.14764	3.5
175.87762	1.6
177.12732	4.8
179.08537	3.5
179.14320	7.8
181.10161	10.8
181.15768	2.7
182.10841	2.0
183.11720	13.7
185.09613	2.1
185.13362	8.0
187.11159	3.8
187.14795	5.9
189.12730	4.9
191.14299	5.5
192.09332	2.3
193.10095	5.1
194.10799	2.2
195.11653	6.9
197.13284	10.2
198.13916	2.9
199.11118	3.7
199.14839	7.8
201.12747	4.4
201.16508	2.5
203.14346	3.8
205.10094	2.4
205.15857	3.2
207.11687	5.3
209.13217	8.3
209.15237	3.3
211.14767	6.6
213.12825	2.5
213.16365	3.4
215.14323	5.8
217.15977	2.2
219.11621	1.9
221.13243	5.9
223.11221	1.7
223.14781	6.7
225.12717	2.3
225.16331	4.9
227.14337	7.7
229.15796	3.5
231.17404	2.0
233.13292	3.2
235.14850	3.8
237.16385	5.6
239.17870	3.3
241.15839	6.3
247.14806	3.4
249.16368	5.9
251.14388	2.2
251.17932	3.8
253.15900	3.5
255.17412	5.3
257.18884	3.0
259.14960	1.9
261.16452	3.0
263.17743	2.8
265.19714	2.4
267.17404	8.7
269.18988	2.5
275.17883	4.1
277.19717	1.8
279.17249	5.5
281.18997	3.4
293.19086	11.3
295.20453	3.1
305.18781	2.3
307.20520	1.9
309.22192	1.7
317.22562	5.2
319.20438	2.8
321.22119	2.6
335.23734	24.4
337.21625	3.5
337.25314	3.0
347.25778	18.8
351.26849	2.9
361.25238	27.4
379.26254	100.0
380.26462	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61826	2.1
52.40754	2.1
53.03950	12.9
55.05516	56.3
57.03429	3.4
57.07067	3.6
59.04998	3.2
65.03944	2.8
67.05509	97.2
69.07072	22.3
69.65466	13.7
69.90592	2.0
70.65677	1.9
71.04997	38.2
71.19280	2.1
73.06549	8.6
73.57789	1.8
79.05499	60.7
81.07059	100.0
83.04986	81.7
83.08604	10.0
85.06522	5.9
91.05482	35.5
93.07047	67.1
95.04973	5.4
95.08614	78.3
96.08987	2.2
97.06504	4.5
97.10163	7.6
99.04422	2.9
101.06020	88.3
105.04543	4.2
105.07056	22.1
107.04965	6.1
107.08593	37.5
109.06485	2.5
109.10160	38.4
111.08112	2.0
117.07044	11.7
119.08587	16.9
121.10142	37.4
123.11734	13.6
131.08556	17.9
133.10098	13.3
135.11703	23.9
137.09555	2.8
137.13246	6.5
143.08607	2.1
145.10144	14.1
147.11679	9.6
149.13234	13.2
159.11685	10.6
161.13226	8.8
163.14838	7.5
173.13258	13.7
173.21059	1.9
175.14799	4.2
177.16422	3.3
187.14818	5.4
203.81458	2.1
205.15884	2.4
243.21112	9.7
261.22192	40.8
272.55075	2.0
279.23175	14.3
379.28842	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	379.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75663	5.2
55.05492	16.9
67.05502	20.4
69.03423	9.5
69.07061	15.0
70.06567	10.4
71.04985	11.1
71.48664	8.3
72.08158	78.0
73.08476	19.4
79.05482	12.8
80.66109	4.6
81.03439	7.9
81.07054	53.5
84.07635	4.6
84.08144	5.8
85.02885	7.4
85.06549	8.7
86.09708	100.0
87.10034	31.3
91.05469	13.1
93.07040	28.3
94.17249	5.7
95.04959	5.2
95.08589	41.2
97.02855	7.7
97.06503	7.6
103.05486	26.1
105.07030	18.9
107.04301	6.9
107.04969	56.7
107.08601	28.2
108.05260	8.1
109.06518	6.0
109.10137	20.9
111.08068	10.5
113.31062	4.7
114.48732	5.3
119.08573	6.5
120.08098	43.9
121.08451	22.0
121.10139	15.2
123.11712	40.2
131.04932	56.7
131.08536	7.8
132.31482	6.0
133.06412	5.9
133.10126	9.4
135.11676	11.3
137.05971	7.9
137.13258	14.1
144.05705	5.6
145.06474	7.7
147.11610	9.7
149.06020	5.9
149.13235	16.8
153.12753	8.9
157.06496	8.3
159.04427	26.0
159.08037	6.0
159.11649	8.2
161.05966	6.0
165.01759	5.4
166.08659	8.1
173.05966	17.2
177.05461	18.1
185.16502	33.4
186.16788	30.7
194.07350	7.1
208.35655	5.2
213.15910	6.1
214.16248	10.6
220.15343	13.8
223.07698	5.4
224.08147	5.8
232.83633	6.6
244.09409	7.4
257.07770	8.6
277.25235	6.4
285.05688	12.4
289.25275	6.5
290.05566	5.5
307.26328	7.1
319.09515	14.2
361.10690	7.2
379.10403	16.5
379.20471	5.8
379.25610	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	379.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75663	5.2
55.05492	16.9
67.05502	20.4
69.03423	9.5
69.07061	15.0
70.06567	10.4
71.04985	11.1
71.48664	8.3
72.08158	78.0
73.08476	19.4
79.05482	12.8
80.66109	4.6
81.03439	7.9
81.07054	53.5
84.07635	4.6
84.08144	5.8
85.02885	7.4
85.06549	8.7
86.09708	100.0
87.10034	31.3
91.05469	13.1
93.07040	28.3
94.17249	5.7
95.04959	5.2
95.08589	41.2
97.02855	7.7
97.06503	7.6
103.05486	26.1
105.07030	18.9
107.04301	6.9
107.04969	56.7
107.08601	28.2
108.05260	8.1
109.06518	6.0
109.10137	20.9
111.08068	10.5
113.31062	4.7
114.48732	5.3
119.08573	6.5
120.08098	43.9
121.08451	22.0
121.10139	15.2
123.11712	40.2
131.04932	56.7
131.08536	7.8
132.31482	6.0
133.06412	5.9
133.10126	9.4
135.11676	11.3
137.05971	7.9
137.13258	14.1
144.05705	5.6
145.06474	7.7
147.11610	9.7
149.06020	5.9
149.13235	16.8
153.12753	8.9
157.06496	8.3
159.04427	26.0
159.08037	6.0
159.11649	8.2
161.05966	6.0
165.01759	5.4
166.08659	8.1
173.05966	17.2
177.05461	18.1
185.16502	33.4
186.16788	30.7
194.07350	7.1
208.35655	5.2
213.15910	6.1
214.16248	10.6
220.15343	13.8
223.07698	5.4
224.08147	5.8
232.83633	6.6
244.09409	7.4
257.07770	8.6
277.25235	6.4
285.05688	12.4
289.25275	6.5
290.05566	5.5
307.26328	7.1
319.09515	14.2
361.10690	7.2
379.10403	16.5
379.20471	5.8
379.25610	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	380.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.3
57.07063	2.4
59.05000	3.9
61.02905	4.2
67.05508	3.0
69.03428	4.4
69.07056	4.2
70.06592	8.5
71.04977	2.8
71.47550	1.9
72.08136	3.6
74.06059	3.7
79.05480	5.5
81.07068	15.5
83.08598	5.0
83.76260	1.6
84.04504	2.6
84.08131	6.2
85.02901	10.5
85.06540	18.0
86.09698	14.3
91.05479	12.6
93.07048	5.2
95.08607	10.3
97.02888	3.9
99.08112	2.5
105.07029	10.5
107.04964	11.4
107.07887	3.5
107.08597	67.6
108.05253	2.4
109.02891	2.0
109.06517	6.9
109.10118	4.8
113.06001	4.6
119.08557	5.7
120.08077	7.5
121.09341	3.1
121.10152	45.2
123.08108	9.4
123.11711	33.0
125.09633	43.8
126.30530	2.1
127.03912	1.7
129.10255	3.8
135.11694	1.9
137.09598	19.4
147.11694	39.1
152.05615	2.1
164.81091	1.8
165.12764	100.0
166.13148	2.0
168.10107	2.4
183.13818	99.4
184.14079	2.7
187.14435	6.8
201.14871	36.8
205.12311	2.1
207.06441	2.4
215.13866	3.5
218.11786	5.2
221.12706	2.3
225.07480	1.9
226.12376	2.2
275.20837	1.7
317.13980	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	380.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01859	3.7
55.05510	9.6
57.03422	1.0
57.07074	1.5
59.07366	2.8
60.08139	2.1
67.05508	24.9
69.03473	0.8
69.06747	0.9
69.07074	10.9
70.06590	0.9
71.04988	1.1
73.02902	1.6
79.05498	27.3
81.03419	1.0
81.06599	1.3
81.07059	23.8
83.04960	1.3
83.08626	3.8
86.03680	2.4
86.09718	1.5
87.04475	0.8
91.05481	17.4
93.07050	30.3
95.04960	3.4
95.08614	15.9
97.06503	2.8
97.10181	0.9
99.04458	28.6
103.05468	2.3
105.04525	1.3
105.07037	19.0
107.04961	4.2
107.08604	13.9
109.06485	2.4
109.10165	6.0
113.06007	2.2
117.07048	5.2
119.08587	15.5
121.10132	8.9
123.08065	1.0
123.11716	2.0
124.05291	0.8
127.07533	1.6
129.06976	1.3
131.04913	2.8
131.08588	6.2
132.05255	1.2
132.10234	1.1
133.10115	9.7
135.11708	7.1
137.09647	1.1
143.08588	1.6
145.10091	4.3
147.11693	7.3
149.13289	4.0
157.10110	1.5
158.11792	1.2
159.11707	3.8
161.13289	4.4
163.14877	1.3
171.11664	2.0
173.13293	2.4
175.14833	2.3
183.13838	2.8
185.13235	1.7
199.14845	0.9
201.46758	0.8
209.15372	0.9
214.00723	0.8
233.93808	0.9
241.19460	1.3
259.20615	5.9
303.20047	1.3
303.23221	13.3
321.24149	3.2
328.53918	0.9
380.31631	100.0
381.31863	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27837	4.1
68.70306	3.6
69.30350	6.1
69.30753	29.4
76.69896	3.6
78.63911	4.0
79.79046	3.8
121.34637	4.3
146.25636	4.9
184.96083	3.4
196.43707	4.6
213.43849	3.9
240.64864	4.5
381.07938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67418	4.2
60.37089	3.3
69.80613	19.3
76.58815	4.3
98.21429	5.5
123.88860	3.8
219.02600	5.7
219.28053	3.8
241.04762	3.8
381.07932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77242	0.3
53.03938	1.4
55.01901	0.4
55.05505	0.8
57.03444	0.5
63.02374	0.4
67.05497	1.4
69.03432	3.7
69.07056	0.7
70.06599	3.1
70.06938	0.6
71.04984	1.1
71.06913	0.5
71.47729	0.6
75.09165	0.3
78.04735	0.4
79.05503	1.8
81.03419	4.5
81.07069	2.4
83.04987	0.3
83.08611	0.4
85.02905	2.5
89.03922	10.0
91.05479	1.9
93.07034	1.0
95.04990	0.8
95.08591	0.8
97.02879	3.0
99.04446	1.2
103.05463	0.9
105.07030	1.6
106.04124	0.5
107.04968	3.9
107.08604	0.8
109.02885	4.0
109.06527	0.6
109.10156	0.6
115.90564	0.4
117.03383	28.5
119.04926	0.4
119.08572	1.2
121.06518	1.6
121.10152	0.6
127.03873	1.8
131.04916	1.2
131.08556	0.5
133.06503	0.7
133.10187	0.7
134.03622	2.0
135.04454	0.7
135.08080	0.5
137.05988	0.6
143.08597	0.6
145.02849	57.6
145.10085	0.5
146.03188	0.7
147.11633	0.5
149.05983	8.4
163.03876	0.5
171.08069	0.4
173.09663	0.4
177.05473	100.0
178.05852	1.3
182.05678	0.3
182.07217	0.4
183.07999	0.6
186.05493	1.0
195.06499	0.6
197.09528	0.7
209.09608	0.6
211.11089	0.5
223.11099	0.4
264.13266	0.4
298.54013	0.3
321.09598	2.1
363.12201	1.1
363.23270	0.5
381.11920	2.3
381.23685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
53.03940	1.2
55.01866	0.6
55.05507	1.6
57.03425	1.0
63.02401	0.4
63.31678	0.3
67.01872	0.6
67.05475	2.0
69.03439	4.0
69.07053	0.9
70.06571	0.7
71.01366	0.5
71.04995	0.9
71.48710	0.6
73.03567	0.4
73.70911	0.4
76.15799	0.4
78.04701	0.4
79.05473	2.2
81.03419	3.7
81.07038	2.3
83.04968	0.7
85.02892	2.6
85.06555	0.5
89.03917	8.7
91.05486	4.2
93.07054	2.3
95.04975	1.4
95.08605	1.9
97.02906	3.2
97.06516	1.2
97.10198	0.6
99.04453	1.5
103.05480	1.0
105.07048	3.2
106.61849	0.4
107.04961	9.7
107.08611	1.6
109.02873	2.6
109.06547	0.6
109.10125	1.2
115.05426	0.8
117.03379	28.0
117.06966	0.6
119.04936	2.5
119.08613	1.3
121.06509	11.6
121.07391	0.6
121.10151	0.7
123.08062	0.6
127.03886	2.0
129.07007	0.7
131.04910	2.9
131.08557	1.3
133.06476	3.1
133.10095	1.4
134.03618	2.6
135.04440	1.0
135.08022	0.8
137.05933	2.0
144.05682	1.6
145.02847	55.0
145.06502	1.7
145.10143	0.8
146.03206	0.7
147.04318	0.7
147.11690	0.5
149.05984	8.2
157.06529	0.7
159.08012	0.9
159.11673	0.7
161.05948	3.5
163.03883	0.5
171.08012	0.6
173.05960	3.3
173.09602	0.7
177.05475	100.0
178.05855	1.2
179.07063	1.7
181.06502	0.5
183.08119	0.6
186.05522	0.8
189.05496	0.5
195.06494	0.8
197.06041	0.6
197.09636	0.7
219.13902	0.4
221.08089	3.0
233.09087	0.6
237.09091	2.5
257.09592	1.0
261.18494	0.5
275.20047	0.7
279.10110	0.9
289.18039	0.6
321.10049	1.6
346.29849	0.5
363.12173	0.5
363.23126	0.6
381.12247	2.0
381.23856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01861	2.8
55.05507	3.1
56.05056	1.0
57.03432	2.5
61.02921	0.8
62.59538	0.8
65.03935	1.2
67.05519	4.3
69.03432	1.8
69.07061	2.5
71.04988	1.5
71.48720	1.3
72.77941	0.9
79.05495	8.6
81.03414	2.4
81.07053	6.6
83.04996	2.0
83.08678	1.1
84.29843	0.9
91.05486	7.5
93.07051	6.4
95.04967	4.3
95.08623	3.7
97.06534	2.7
97.10154	2.2
103.05477	3.2
105.04510	1.9
105.07018	6.0
107.04961	100.0
107.08582	3.0
108.05291	0.9
109.02874	0.9
109.06525	2.6
109.10162	2.3
111.04440	1.7
111.08067	1.3
113.04235	1.2
117.03392	1.6
117.07023	1.7
119.04966	1.9
119.08591	2.7
121.06520	3.5
121.10148	1.8
122.03677	1.8
123.04453	5.1
123.08091	1.4
125.09625	1.8
127.03951	1.1
129.05449	1.0
129.07034	1.2
131.04942	6.5
131.08563	2.9
133.06544	2.4
133.10138	3.0
135.08049	1.8
135.11682	1.3
137.05988	53.7
137.09633	2.0
141.07022	1.0
143.08577	1.1
145.02805	2.4
145.06514	1.2
145.10129	3.2
147.08080	1.3
147.11694	2.0
149.06013	2.0
149.09586	1.2
151.07550	9.3
157.10130	1.8
159.08089	1.4
159.11682	2.4
161.09631	2.1
163.03909	2.0
163.07558	2.5
163.11238	1.0
169.10146	1.6
171.11739	1.3
173.09624	1.4
173.13271	1.1
177.05493	2.5
183.11722	1.3
197.13348	1.3
209.13315	1.0
255.10193	1.1
259.11154	3.2
271.17023	1.0
275.12750	7.0
287.12711	6.0
289.18002	3.0
342.12869	1.0
381.17612	3.3
381.23950	5.0
381.28079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01875	29.2
55.05515	23.1
57.03441	28.6
57.07069	4.4
63.70081	2.5
65.03939	5.7
66.69241	2.2
67.05509	62.5
69.03435	11.1
69.07076	21.3
69.79368	10.7
70.06586	5.6
71.04990	5.1
73.02914	2.1
78.04758	2.4
79.05497	58.7
80.06242	3.4
81.03421	19.9
81.06592	4.5
81.07059	62.5
83.01346	4.5
83.04993	24.7
83.08620	11.6
85.02878	2.7
85.06551	6.6
85.39272	2.0
91.05486	61.7
93.07051	46.1
95.04970	46.7
95.08609	32.4
97.02905	12.1
97.06543	12.9
97.10171	3.9
99.04465	3.7
103.05479	12.9
105.07031	50.5
107.04960	100.0
107.08598	25.5
108.05727	3.4
109.02861	3.0
109.06522	22.8
109.10162	18.4
110.07227	2.4
111.04453	9.1
111.08083	8.3
112.05211	3.5
113.05988	4.0
115.05466	6.5
117.07026	27.3
119.04948	7.0
119.08578	30.7
120.05750	3.1
121.02911	3.6
121.06507	21.4
121.10143	15.4
122.07286	15.9
123.04414	13.2
123.08076	8.9
123.11683	5.5
125.05988	5.1
125.09606	2.7
127.03951	3.8
128.06244	7.9
129.05489	6.1
129.06999	12.8
131.04916	18.5
131.08559	29.0
133.06479	27.2
133.10150	19.3
135.04448	3.1
135.08101	14.6
135.11694	10.9
137.06017	13.5
137.09625	8.4
141.07014	7.8
143.08580	8.9
144.05716	2.7
145.02866	5.7
145.06470	18.4
145.10120	16.6
147.08046	28.1
147.11696	10.1
149.05974	5.4
149.09633	12.2
151.11102	3.1
155.08551	7.7
157.10120	9.2
159.08083	8.1
159.11688	11.3
161.09610	9.3
161.13269	4.3
162.10405	3.7
163.07515	2.8
163.11183	6.1
165.07030	3.5
165.09160	6.2
167.08592	2.8
169.10210	6.1
171.11700	8.8
173.09622	6.2
173.13274	9.6
175.07532	4.4
175.11212	5.3
175.14984	2.4
177.05441	10.7
177.09155	3.1
177.12816	6.3
178.07771	3.2
181.10092	4.2
183.11699	3.0
185.09741	3.5
185.13214	4.8
187.11186	5.0
187.14842	7.8
189.09174	2.5
189.12827	4.8
191.06958	2.5
193.10097	2.9
197.09593	2.4
197.13318	6.4
201.12746	4.1
203.14290	2.7
205.15866	8.2
206.43645	2.3
209.09608	10.8
215.14304	10.5
221.09541	3.3
233.15387	41.5
237.09058	7.1
251.16402	4.6
261.14871	6.2
271.17181	2.8
273.18503	9.0
289.18002	4.8
290.18765	7.6
307.18936	15.8
335.18631	34.4
336.19031	2.8
361.55850	2.5
363.22986	4.7
381.13266	9.5
381.18039	4.3
381.22388	17.4
381.31659	6.4
382.60925	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.07057	1.1
60.75339	0.7
63.07354	0.9
67.05497	2.9
69.07072	1.8
71.08617	1.3
71.22999	0.9
71.23327	1.2
76.35645	0.8
79.05482	2.1
81.07069	3.7
83.08633	1.4
85.06544	1.1
89.06019	3.3
90.06362	1.4
91.05469	2.8
93.07039	2.9
95.08604	4.4
100.70508	0.7
105.07020	2.8
105.38602	0.7
107.08582	2.2
109.10149	1.8
117.07010	1.0
119.08578	3.1
121.10141	1.7
123.08115	0.9
123.11720	0.9
131.08553	1.4
133.08574	1.2
133.10130	1.4
135.11652	1.5
145.10161	1.4
147.11719	1.5
157.06487	1.0
159.11688	1.6
161.13150	1.0
173.13258	1.5
192.12244	1.1
195.12326	0.9
196.12556	1.2
206.10446	0.8
217.05287	0.7
243.84349	0.8
283.82571	0.8
354.04092	1.0
355.95563	0.9
381.27634	100.0
382.27991	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05502	5.1
57.07056	1.7
64.32288	1.4
64.92672	1.4
65.03922	3.8
67.05139	1.6
67.05508	37.0
69.03434	100.0
69.07065	6.5
69.14390	5.7
69.14808	10.7
71.04974	1.9
72.08161	1.7
79.05492	15.9
81.03414	4.4
81.07064	15.5
83.04987	1.8
83.08603	5.6
89.72787	1.4
91.05487	8.3
93.07044	13.7
95.04976	83.3
95.08612	19.3
97.06503	5.0
97.10163	2.3
97.80029	1.6
98.21591	2.7
99.08089	2.1
100.92326	1.7
105.07029	13.5
105.77649	1.7
107.04964	12.0
107.08606	15.7
109.06528	3.2
109.10162	12.0
111.08072	3.0
117.07026	2.8
119.08588	11.9
121.06545	1.8
121.10148	16.5
123.08046	7.4
123.11694	10.0
125.09637	2.8
128.06245	2.4
129.06989	3.2
131.08563	13.3
133.10162	10.4
135.08058	9.8
135.11694	5.4
137.09621	3.8
141.06902	1.5
142.07764	2.1
143.08571	7.6
145.10143	13.9
147.11694	8.3
149.09587	3.7
149.13271	3.5
151.11145	2.3
155.08556	4.4
157.10109	8.0
159.08014	2.2
159.11688	11.5
161.09679	4.4
161.13277	5.5
163.11174	2.2
165.12852	1.8
169.10143	5.4
171.11642	8.3
173.13245	7.0
175.11092	3.7
175.14799	2.3
177.12639	1.9
181.10130	2.1
183.11717	6.7
185.13237	7.9
187.14828	13.8
189.12733	3.5
189.16389	3.5
191.14284	2.0
195.11685	3.7
197.13293	6.1
199.14799	6.7
201.12721	1.7
201.16458	4.4
203.14305	1.7
209.13258	3.5
211.14838	7.1
213.16324	4.7
215.06105	1.7
215.18027	2.7
217.15921	1.5
223.14885	3.6
225.06467	1.5
225.16341	10.5
227.17929	3.7
229.15903	4.5
231.17378	3.0
235.14868	2.8
237.16478	2.3
239.18028	3.8
241.15788	1.7
243.17313	2.6
245.19096	5.1
249.16341	2.2
251.17828	2.2
253.19443	2.7
255.17383	2.7
257.19058	3.3
259.20572	3.6
265.19620	1.9
269.18976	3.4
271.20706	2.1
277.19452	2.0
279.20920	2.2
281.18991	3.1
283.20572	4.4
293.19141	2.0
293.22382	1.7
295.20529	9.0
295.24164	11.6
297.22064	1.7
311.23648	3.5
313.25143	11.6
321.22104	2.6
335.23578	1.9
337.25232	9.2
339.26788	3.3
353.28384	2.4
363.26852	23.7
381.27878	85.8
382.28296	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	381.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.5
53.09166	1.4
55.01859	2.8
55.05507	12.2
57.07053	5.0
65.03922	4.5
67.05505	51.9
69.03429	100.0
69.06750	1.4
69.07077	18.2
69.35822	1.6
69.36137	14.0
71.04973	4.0
79.05493	24.8
81.03387	5.7
81.06608	2.5
81.07056	42.4
82.00575	1.6
82.38731	1.7
83.04953	4.3
83.08604	8.0
85.06516	5.0
87.87961	1.8
91.05470	19.9
93.06496	2.0
93.07043	30.0
95.04969	83.2
95.08609	40.0
97.06504	5.0
97.10174	3.9
98.20799	3.3
99.08071	4.7
105.04536	1.5
105.07026	27.5
107.04961	14.4
107.08586	34.5
109.06513	7.7
109.10155	23.2
111.08044	5.9
115.05439	2.2
117.07015	8.2
119.07817	2.6
119.08585	33.9
121.06493	4.5
121.10148	25.6
123.08084	9.7
123.11711	15.7
123.23941	1.8
125.09649	3.7
128.06221	3.2
129.06970	6.4
131.08575	23.8
133.10118	22.4
135.08051	14.9
135.11667	11.1
137.09601	4.9
137.13193	1.8
139.11165	1.8
141.06981	1.9
142.07791	3.6
143.08562	15.8
144.09303	3.6
145.10114	23.1
147.11699	14.3
148.66225	1.7
149.09598	4.2
149.13249	7.9
151.11200	4.4
155.08548	6.2
156.09344	3.3
157.10129	18.3
158.10870	2.8
159.08022	2.2
159.11691	20.3
161.09613	7.4
161.13246	13.4
163.11177	3.9
163.14827	4.2
165.12718	3.8
167.08514	3.8
168.09268	3.1
169.00809	1.8
169.10088	12.3
170.10767	1.8
171.11674	17.1
172.12361	1.6
173.09651	2.4
173.13280	15.1
175.11208	8.4
175.14870	8.1
177.12683	2.5
181.10132	3.7
182.10938	3.0
183.11687	11.6
185.13260	13.1
187.11140	2.0
187.14804	17.7
189.12726	5.5
189.16301	7.3
193.10204	2.5
194.10980	1.9
195.11751	8.1
196.12485	2.4
197.13290	9.4
199.11118	1.9
199.14769	11.8
201.16418	7.8
203.14250	3.9
203.18036	3.1
207.11687	2.8
209.13229	6.1
211.14793	10.3
213.16451	8.5
215.14330	2.2
215.17924	4.3
217.15878	2.5
217.19342	1.8
221.13228	2.8
223.14890	6.4
225.16380	10.5
227.14308	2.7
227.17972	4.5
229.15878	4.2
229.19452	3.2
231.17365	4.5
235.14774	3.0
237.16330	3.3
239.14238	2.8
239.17921	4.5
241.15897	2.4
241.19449	3.0
243.17642	3.9
245.19003	4.9
245.42989	1.7
247.14743	2.0
249.16170	1.7
251.17976	5.5
253.15804	1.9
253.19499	3.9
255.17442	2.9
255.20891	1.8
257.19064	4.1
259.20456	3.2
263.17966	2.2
265.19437	3.7
267.17450	4.2
269.18909	2.6
271.20602	2.0
277.19510	5.0
279.17206	1.7
281.18951	4.5
283.20502	4.0
285.21915	1.8
293.19003	3.2
295.20584	5.1
295.24118	10.1
297.22043	3.2
307.20627	2.1
309.21997	1.9
311.23560	4.7
313.25281	8.6
319.24091	2.1
321.21967	4.0
323.23666	2.3
337.25446	11.7
339.26981	2.9
345.25613	2.7
363.22678	2.4
363.26761	25.8
363.30774	3.1
364.26743	2.0
381.27744	93.5
381.31619	9.6
382.27963	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	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82415	2.0
53.03939	3.5
55.05511	16.4
57.03439	17.4
57.07070	7.5
59.04988	2.9
65.03962	2.3
67.05508	61.0
69.03425	2.4
69.07064	11.3
70.57622	6.7
71.04980	2.6
79.05505	20.9
81.07066	62.9
83.04992	15.8
83.08617	5.2
85.06551	100.0
91.05476	12.3
93.07045	22.6
95.04976	2.2
95.08613	53.9
97.06492	2.6
97.10186	4.9
98.58933	2.1
101.06020	13.0
103.07598	24.5
105.07050	15.1
107.04990	4.0
107.08605	19.6
109.10166	29.5
111.11724	2.9
117.07014	4.0
119.08582	9.5
121.10146	15.1
123.11711	18.1
131.08569	8.3
133.10126	8.7
135.11694	9.4
137.13245	8.9
143.08537	2.7
145.06540	2.1
145.10109	8.0
147.11676	5.4
149.13277	6.9
151.14806	2.5
157.10158	3.2
159.11705	4.7
161.13335	4.5
163.14857	3.1
173.13300	6.1
175.14854	2.5
188.64264	2.3
243.21117	4.9
261.22177	22.3
263.23700	3.8
279.23218	42.3
363.29410	3.2
381.24564	8.1
381.30655	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	381.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96148	2.6
52.29338	2.7
53.03947	5.2
55.01864	2.8
55.05513	19.2
55.32710	2.4
57.03443	3.9
57.07074	7.9
65.03938	4.2
67.05508	42.4
69.03437	26.5
69.07072	24.1
71.08619	2.8
71.23141	6.1
72.08170	2.7
79.05497	30.4
81.03423	3.5
81.07059	88.6
83.08626	14.9
85.06551	18.0
91.05494	26.4
93.07047	56.4
95.04967	19.3
95.07993	3.7
95.08612	70.6
97.06539	7.3
97.10191	6.0
99.08096	3.9
103.05498	2.4
105.07036	45.7
107.08600	57.0
109.06537	7.1
109.10172	40.7
111.08088	4.1
116.17529	3.0
117.07028	8.0
119.08604	43.8
121.06528	3.1
121.10152	46.7
123.08084	4.6
123.11693	15.6
125.09651	3.1
128.06255	3.8
129.07034	8.4
131.08571	24.9
133.10139	36.0
135.11703	23.2
137.13278	4.3
142.07764	3.5
143.08571	14.7
145.10129	41.6
147.11702	28.5
149.13280	15.5
155.08580	7.9
157.10127	18.2
159.11705	38.6
161.09605	3.9
161.13260	22.1
163.11237	3.2
163.14844	8.9
169.10197	12.0
171.11711	15.8
173.13277	19.9
175.14851	15.7
177.12805	4.1
177.16417	5.0
183.11690	10.2
185.13303	12.2
187.14871	16.4
189.12726	3.9
189.16434	6.6
191.17949	2.6
195.11760	3.2
196.12903	2.4
197.13298	7.9
199.14845	13.2
201.16438	10.3
203.17998	7.4
209.13185	2.7
211.14922	11.1
213.12947	3.0
213.16348	14.3
215.18056	9.1
217.15999	4.0
225.16475	9.8
227.18060	11.5
229.15996	4.0
229.19562	6.3
231.17456	3.5
239.18007	6.8
241.19560	5.9
243.21118	3.5
245.19005	3.6
253.19569	6.0
255.21194	7.4
257.19028	3.2
257.22751	3.5
267.21164	6.0
269.22693	6.6
271.20609	4.8
281.22598	5.2
283.24338	5.2
295.20691	4.1
295.24130	4.5
307.24460	3.6
313.25430	3.6
323.27570	3.4
325.25598	3.8
363.26794	5.4
363.30649	20.5
381.27698	15.1
381.31714	100.0
382.31943	5.4
389.16678	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	381.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99103	2.6
52.08999	2.3
52.22107	2.4
53.03946	5.6
55.05518	18.6
57.07065	7.2
60.07088	2.6
67.05512	42.5
69.03433	22.9
69.07069	23.5
70.98650	5.4
71.04971	3.3
76.39483	2.5
78.62899	2.4
79.05492	26.7
81.07058	92.7
83.05003	4.0
83.08611	15.1
85.06543	18.0
91.05487	33.4
93.07047	72.1
95.04960	22.6
95.08610	61.0
97.06534	6.9
97.10173	5.9
99.08070	4.2
104.30818	2.5
105.07040	54.7
107.05014	2.7
107.08595	60.3
109.06518	5.8
109.10168	38.3
111.08084	7.7
117.07030	7.5
119.08582	55.8
121.06480	2.9
121.10150	43.3
123.08065	3.6
123.11694	20.6
129.07011	4.5
131.08582	27.2
133.10129	32.5
135.08063	4.0
135.11694	19.3
137.13341	3.8
142.07832	4.6
143.08580	14.3
144.09389	3.4
145.10121	35.4
147.11702	25.0
149.13295	18.7
151.11151	5.0
155.08566	3.5
156.09377	3.8
157.10117	21.9
158.10977	3.1
159.11688	39.1
161.09601	3.8
161.13269	27.8
163.14877	9.5
165.12830	4.4
167.08617	3.2
169.10155	8.7
171.11690	22.2
173.13293	23.8
175.11232	4.5
175.14844	12.1
177.16422	4.6
183.11687	9.9
185.13274	15.6
187.14825	17.4
189.12946	3.8
189.16400	9.8
191.18031	4.6
195.11658	3.7
197.13235	10.1
199.14890	15.9
201.16422	11.4
203.14259	3.3
203.17963	8.0
211.14787	9.1
213.16428	10.1
215.17987	12.0
223.14790	4.5
225.16335	8.7
227.17952	11.0
229.15935	3.1
229.19595	3.5
237.16325	3.7
239.17969	7.9
251.18021	3.1
253.19554	7.5
255.21106	5.5
257.18994	5.5
265.19522	3.3
267.21133	6.9
269.19022	3.1
269.22757	4.6
271.20654	5.0
281.22687	5.2
283.24191	6.1
285.22107	2.8
295.24060	3.3
307.24255	3.4
363.26608	9.8
363.30533	26.9
381.27600	19.6
381.31549	100.0
382.31982	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01873	5.4
55.05508	27.3
56.04155	4.4
57.07062	13.1
60.34029	4.0
67.05503	40.6
69.07084	27.9
69.82886	21.2
76.50587	3.4
79.05495	32.3
81.03384	3.5
81.06596	6.6
81.07055	100.0
81.07523	5.6
83.08611	14.9
85.06553	25.4
89.05991	5.1
90.77852	3.4
91.05475	38.3
93.07050	71.9
95.04958	6.7
95.08611	83.9
97.06509	5.1
97.10139	7.1
105.07040	52.5
107.08604	56.3
109.06507	4.7
109.10178	39.3
111.08095	4.6
111.11738	4.9
117.07014	9.4
117.67098	3.5
119.08597	51.2
121.10152	39.5
123.08083	4.1
123.11715	23.9
129.06998	6.1
131.08548	21.7
133.10132	34.3
135.11705	17.1
137.13206	4.5
141.07074	3.5
142.07776	5.2
143.08569	20.2
145.10109	38.9
147.11693	36.9
149.13264	18.3
157.10103	24.8
159.11722	43.5
161.13258	24.5
163.11392	3.6
163.14845	7.4
169.10156	11.2
171.11703	20.1
173.13223	24.2
175.14844	15.9
177.16406	5.2
183.11713	6.4
185.13252	13.4
187.14853	19.0
189.16386	11.9
197.13222	9.7
199.14868	13.3
201.16388	12.9
203.18028	5.7
211.14830	5.4
213.16408	12.5
213.51921	4.0
215.17957	13.3
227.17911	11.9
229.19461	5.4
239.17903	4.4
241.19470	5.6
251.17706	5.8
253.19579	4.5
255.21033	8.7
281.22751	7.1
283.24213	8.3
285.22336	4.1
299.23965	3.8
363.30246	27.1
381.31543	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05517	11.7
57.06831	1.1
57.07079	13.6
65.03935	1.4
67.05506	17.9
69.07071	18.1
70.67712	2.2
71.08633	12.7
79.05077	1.1
79.05500	12.9
81.07059	51.6
83.08624	14.2
85.10184	5.8
91.05479	17.1
93.07054	16.8
95.08609	33.4
97.10163	12.1
98.20892	0.9
103.05489	0.9
105.07031	27.5
107.08598	17.0
109.10162	19.0
111.11713	6.3
117.07019	14.9
119.08582	15.2
121.10153	8.2
123.11727	8.8
125.13226	1.9
128.06183	2.0
129.07004	3.3
131.08578	16.4
133.09125	1.7
133.10132	30.1
135.11714	6.2
136.11794	0.9
137.13261	6.0
143.08588	6.4
144.09419	1.4
145.10126	45.3
147.11684	25.0
149.13277	4.2
151.14853	2.4
157.10141	10.0
159.11702	34.3
159.13057	1.4
160.12001	1.0
161.09732	1.4
161.13254	10.1
163.14857	3.1
165.16339	1.4
171.11671	4.5
173.13257	12.5
175.14861	2.9
177.16447	2.1
185.13234	6.6
187.14761	6.0
189.16400	1.8
199.14813	5.7
201.16386	4.9
203.18095	1.1
213.16377	6.2
215.17953	2.9
227.17979	2.9
233.22694	3.2
241.19473	5.0
247.24113	1.3
255.21053	5.0
257.22720	1.4
261.25769	2.6
273.25739	2.1
283.24185	1.0
285.25931	1.2
287.27338	2.2
297.25818	1.5
299.26999	1.1
301.28864	1.4
315.30432	1.1
325.28842	1.2
343.66333	0.9
363.26810	3.5
381.35187	100.0
382.35410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.96559	4.0
57.03442	2.3
57.07073	3.6
59.04988	3.3
62.37804	2.0
69.07060	4.9
69.45238	15.3
69.45647	5.0
69.99194	2.1
72.04507	9.8
83.04980	2.2
84.04485	3.1
84.08141	4.7
85.02893	7.2
85.06526	3.7
86.09701	9.6
90.04996	3.1
90.05559	62.6
95.05001	2.7
97.02850	2.7
98.02412	12.4
98.97559	4.8
101.07106	2.4
103.07546	2.7
107.04963	16.6
108.05308	3.5
110.07172	6.6
116.03453	8.7
116.98604	2.9
120.08131	14.0
124.07622	15.2
136.07571	7.0
142.08649	6.2
156.07698	7.1
166.08652	4.2
184.09685	11.9
202.10771	20.4
220.11804	100.0
221.12595	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	382.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77479	0.4
55.05497	0.3
56.05036	1.8
57.03432	0.7
60.04527	1.7
69.03445	1.5
69.04565	0.4
69.07063	0.5
70.06598	4.0
71.05009	0.4
71.48158	0.6
72.08150	1.4
79.05479	0.4
81.03426	0.7
81.04531	1.0
81.07056	0.6
82.05302	0.6
83.06110	8.7
84.08149	2.9
85.02931	2.0
86.09709	14.2
87.00820	0.8
87.05578	0.5
87.10040	0.4
91.05480	0.7
93.04534	7.1
95.06088	5.7
95.06654	0.2
97.02892	1.1
98.97595	0.4
99.08077	0.5
105.01862	0.5
106.05035	0.6
107.04971	2.7
109.02917	0.5
110.07171	100.0
111.07497	0.6
112.08743	0.4
116.07102	0.5
117.09148	1.6
120.08096	1.0
121.04027	0.3
122.07140	0.4
123.05550	0.6
127.03915	1.6
129.10268	1.2
129.96684	0.3
132.10187	0.9
136.06229	0.7
136.07590	0.9
138.06630	3.8
141.10191	0.5
145.05003	0.6
152.07133	0.4
156.07701	1.0
161.06017	0.4
161.10777	0.4
163.08675	0.5
166.06154	1.9
172.07542	3.6
173.12891	2.6
178.13412	14.8
182.08195	0.5
184.07555	0.6
185.08531	0.4
185.11697	0.7
200.23503	0.4
201.12370	0.7
202.08678	1.3
203.08231	0.4
203.10701	0.6
206.12852	1.6
207.07629	1.8
219.88818	0.4
220.09729	3.3
220.11794	0.7
223.15540	21.7
234.12379	1.3
245.18623	2.5
251.15045	29.6
252.15556	0.5
269.16116	3.1
276.15891	0.5
323.12451	0.8
346.22446	2.3
358.98553	0.4
364.18683	0.4
364.23270	1.2
366.12845	2.1
376.99225	0.4
382.14758	0.7
382.19571	0.6
382.24484	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.6
70.46101	0.7
71.95274	1.9
72.27004	0.2
74.27316	0.2
76.23315	0.3
98.97586	100.0
99.97961	0.5
105.63883	0.2
116.98624	41.1
122.96701	0.2
134.99664	8.9
140.00201	0.6
153.00732	0.6
158.01248	0.3
174.97816	0.3
181.97391	0.5
193.88194	0.2
198.97792	0.5
216.98747	1.5
225.96379	0.2
234.99832	1.2
236.88620	0.2
237.02614	0.3
240.98666	5.5
258.99765	68.8
259.99911	2.2
261.00076	0.2
261.03018	0.3
274.97678	0.6
277.00821	64.6
278.01041	2.6
282.01373	0.9
282.99915	1.1
284.99860	0.3
295.01932	0.4
298.97910	0.4
299.97925	0.4
300.02423	1.1
301.01022	1.3
303.07581	0.2
316.98779	0.3
317.98895	0.6
323.09875	0.3
334.92700	0.3
341.99045	0.3
359.00626	0.3
359.99939	0.6
376.94138	0.3
382.99908	1.6
401.01019	4.3
402.01086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35905	1.8
57.03424	2.6
61.02920	4.2
63.77896	1.7
66.82154	1.8
69.03427	11.4
70.71001	2.9
70.71317	2.6
73.02923	3.1
74.02407	2.0
81.03403	5.2
85.02909	31.9
87.79242	2.1
88.94351	1.8
97.02913	8.5
98.97570	6.7
99.04448	3.2
103.03890	3.1
107.04958	7.4
110.07189	3.2
118.06532	6.1
125.49464	1.8
127.03909	6.6
130.06531	71.7
132.04465	18.1
132.08087	6.6
134.21609	2.0
143.07263	2.4
144.06947	3.0
144.08073	29.5
145.05058	3.1
145.07619	24.3
146.05969	12.0
148.07545	4.9
154.06509	3.6
156.08049	2.7
157.07617	57.0
158.06026	47.7
159.09169	7.1
160.07521	3.0
169.07622	7.1
170.06020	3.5
170.08328	2.3
171.09146	7.2
172.07571	9.8
174.05493	6.0
175.08685	57.1
176.07140	2.2
181.07579	3.3
182.06232	2.2
182.08400	4.3
183.09212	16.0
184.07663	3.7
185.07158	12.6
186.05502	4.8
186.07877	3.4
187.08717	3.0
188.06984	2.4
195.09183	2.7
196.07681	2.8
199.08722	10.9
200.07118	16.1
203.08167	100.0
204.06618	3.8
204.08401	2.4
209.07106	7.3
211.61652	2.0
212.04361	1.9
215.08151	2.4
216.08963	4.6
217.09743	29.2
219.09276	2.6
221.07161	3.7
221.09216	49.8
227.08148	12.2
228.06471	3.1
231.07632	6.6
245.09248	20.5
257.09076	2.8
263.07458	2.4
263.10251	39.8
264.10663	2.2
269.09277	2.8
299.10287	4.0
311.10410	2.2
319.13257	2.1
347.12109	9.5
348.10873	10.2
365.13446	25.6
383.14496	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	383.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01866	4.6
55.05511	16.6
55.05745	4.0
56.05036	4.2
56.96552	2.7
57.03438	4.2
60.04521	5.3
61.02909	9.2
66.92059	2.9
69.03419	12.0
70.06263	3.2
70.06595	39.2
71.09195	5.6
72.08146	13.9
74.06075	3.1
75.04471	8.1
81.03394	8.2
81.07022	3.0
84.04508	4.4
84.08145	13.9
85.02912	21.0
86.09681	8.3
87.00807	7.0
91.05421	3.5
93.07067	3.0
97.02896	8.6
98.06040	2.8
99.08082	4.0
105.01849	3.0
107.04970	5.8
109.02867	6.5
110.07130	11.9
116.07069	12.1
117.09087	10.1
119.04949	2.4
120.08081	10.4
121.08398	6.1
127.03881	10.3
129.10216	6.3
130.06468	4.8
133.06470	3.7
135.10185	17.5
136.06210	6.4
137.06546	2.7
144.48756	2.8
145.04967	4.8
145.07553	3.7
147.04382	3.1
157.07607	4.4
158.05991	3.3
166.08545	2.7
175.08696	7.0
185.10703	7.7
190.09021	3.5
203.08058	8.6
203.14345	3.6
204.07693	7.7
213.12354	7.9
221.09392	6.0
221.11768	2.9
245.09203	3.7
263.10239	3.8
383.13037	100.0
383.17480	8.1
384.13129	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01862	23.5
55.05506	30.4
57.03444	13.7
61.02917	15.1
67.05492	26.1
69.03432	47.4
69.07063	29.3
71.04995	49.8
73.02916	15.2
79.05492	53.9
81.03418	28.4
81.07057	100.0
83.04972	20.7
85.02900	54.7
91.05479	51.5
93.07049	88.4
95.04955	29.2
95.08616	63.7
97.02884	30.1
97.06517	17.5
99.04456	15.8
99.08080	9.7
103.03954	20.4
105.07037	85.1
107.04961	60.9
107.08593	68.4
109.06516	28.7
109.10145	54.6
111.04402	9.0
111.08112	7.5
116.53580	7.5
117.07019	26.5
119.04916	8.2
119.08600	86.8
121.06536	20.5
121.10150	67.0
123.04438	13.5
123.08053	17.4
123.11677	27.3
125.09621	16.0
127.03885	8.0
127.11207	25.1
128.06197	8.5
129.07014	21.3
131.08566	33.8
133.10127	59.2
135.08014	18.0
135.11688	41.4
137.05986	29.6
137.09697	10.9
138.06284	9.2
143.08540	26.9
145.09102	9.8
145.10091	51.4
147.08044	14.2
147.11690	51.4
149.13312	12.2
151.07515	8.3
151.11208	13.7
153.12843	9.3
156.51170	7.7
157.10133	25.0
159.07979	10.9
159.11694	55.8
161.05937	8.9
161.13281	20.1
169.10187	10.5
171.11690	27.6
173.13261	16.6
175.11194	13.4
175.14841	14.3
177.12761	10.1
185.13293	18.5
187.14880	10.7
189.12808	9.7
189.16386	26.2
197.13239	12.5
201.12828	9.9
201.16389	22.8
203.17924	13.4
215.14229	8.8
219.17456	8.6
227.17906	10.3
233.09767	7.9
233.18828	8.6
236.08360	7.5
243.17488	8.1
245.19006	10.4
247.07309	10.6
249.42096	9.4
261.15051	13.2
262.24298	7.6
275.07028	12.6
276.07898	10.0
277.08615	12.6
293.08362	8.1
307.09894	8.5
309.11185	9.5
321.07492	8.4
323.12631	12.8
323.41745	8.6
329.20947	9.2
347.22049	10.3
351.12207	24.4
365.23132	20.8
372.33331	8.1
383.15231	54.7
383.24405	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01874	18.4
55.05514	67.9
57.03439	22.3
58.89842	2.2
65.03930	4.4
67.05507	71.1
69.03425	8.5
69.07075	27.4
69.16251	16.9
69.16673	5.4
71.04989	7.7
79.05493	64.4
81.03425	18.1
81.07058	100.0
83.04984	27.3
83.08625	27.2
85.02911	9.5
85.06550	2.6
91.05487	34.2
93.07045	48.2
95.04970	22.1
95.08607	30.0
97.06515	10.6
97.10175	53.7
99.04460	4.3
99.08101	3.4
105.04536	2.0
105.07030	26.6
107.04965	20.2
107.08594	31.4
109.06523	10.6
109.10178	20.6
111.04443	25.0
111.08078	8.0
115.05465	3.8
117.07033	11.8
119.04908	3.9
119.08582	28.8
121.06493	9.9
121.10143	16.2
123.08077	57.2
123.11726	2.2
125.06005	3.4
125.09635	49.4
128.06213	2.3
129.06989	7.2
131.04939	6.2
131.08562	17.0
133.06444	4.0
133.10110	12.2
135.08090	10.9
135.11716	15.4
137.06009	14.5
137.09636	13.1
139.11168	3.1
142.07805	2.5
143.08582	6.5
143.10661	3.1
143.72150	2.0
145.10133	16.7
147.08047	8.4
147.11702	8.1
149.09647	7.2
149.13322	2.6
151.07570	5.2
151.11169	3.5
153.09119	6.0
153.12743	11.3
155.08562	2.7
157.10094	7.0
159.11729	4.9
161.09666	4.8
161.13310	2.4
161.78180	2.5
163.11191	27.5
165.09100	11.1
171.10182	8.1
171.11623	4.3
173.09650	5.0
175.11212	5.8
177.12747	2.1
181.12225	19.9
185.13306	3.7
189.11223	45.5
189.12700	2.8
191.10704	9.9
193.12306	12.0
201.16408	2.5
209.11691	4.4
211.13258	3.3
219.08113	2.0
223.13312	6.2
227.12746	14.4
227.17999	3.8
237.09019	2.6
249.14836	2.4
255.17435	3.8
265.08377	3.1
273.18463	29.3
291.19550	64.8
291.97934	2.1
302.43582	2.2
309.20792	4.9
347.22275	2.8
365.23309	11.7
383.15378	9.4
383.24280	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01868	17.1
55.05270	4.4
55.05513	57.8
57.03442	19.7
59.04990	3.1
62.23536	2.8
62.45762	2.5
63.00271	2.5
65.03949	2.5
67.05508	77.6
69.03429	6.3
69.07076	34.0
69.17297	22.3
70.02085	2.2
71.04998	8.5
79.05498	62.1
81.03429	23.1
81.07058	100.0
83.04991	25.4
83.08624	32.3
85.02913	4.5
85.06564	4.8
89.14034	2.4
91.05488	36.2
93.07052	41.6
94.69838	2.3
95.04959	20.9
95.08604	38.9
97.06554	11.8
97.10182	43.0
99.04447	5.4
99.08099	4.9
103.05473	2.5
105.07030	25.8
107.04980	18.9
107.08600	33.6
109.06521	8.7
109.10167	25.1
110.44933	2.6
111.04447	21.4
111.08090	9.8
115.05510	2.2
115.56017	2.8
117.07034	10.8
117.98029	2.5
119.08590	24.1
121.06524	9.8
121.10168	23.4
123.08072	44.9
123.11758	3.5
125.05972	3.1
125.09634	51.1
129.07022	9.5
131.04962	5.9
131.08571	14.1
133.06519	3.5
133.10109	11.5
135.08058	10.3
135.11690	13.0
137.09630	7.7
139.11147	2.4
143.08542	4.7
145.10078	15.3
147.08046	10.3
147.11702	11.0
149.09625	7.3
149.13289	5.0
153.09169	7.0
153.12747	11.8
157.10156	7.3
159.08037	3.9
159.11710	8.8
161.09668	5.7
161.13107	2.4
163.11198	22.2
165.09163	8.6
171.10182	8.3
171.11629	5.6
173.09619	5.8
175.11147	4.8
181.12241	16.0
187.11224	2.8
189.11221	43.2
189.12767	4.8
191.10706	10.1
193.12314	6.8
195.13872	3.0
199.11197	3.1
209.11690	3.8
223.13376	3.6
227.12750	14.6
227.17953	4.3
241.13177	2.7
245.19041	4.4
255.17490	4.5
257.86810	2.4
263.20026	4.1
273.18494	26.4
291.19571	48.8
365.23074	11.9
383.24292	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	2.3
55.01864	2.6
55.05507	7.3
57.03444	1.5
62.64040	0.7
65.03944	1.1
67.05182	1.1
67.05511	14.8
69.03425	0.8
69.07066	6.8
70.00546	2.9
71.04974	0.9
79.05501	10.1
81.03421	0.9
81.07059	16.8
83.04986	1.8
83.08619	3.4
91.05475	7.4
93.07040	9.8
95.04966	3.1
95.08059	1.4
95.08611	14.8
97.06532	2.3
97.10155	2.1
98.20737	0.7
103.05451	1.5
105.03373	1.0
105.04516	1.2
105.07043	8.4
107.04958	100.0
107.08612	7.5
108.05269	0.9
109.06535	1.2
109.10152	8.3
111.00806	1.0
111.08105	1.4
117.07024	2.7
119.08582	6.1
121.06518	3.1
121.10133	6.3
123.08085	1.5
123.11736	1.0
125.09633	0.9
128.06180	1.3
129.06982	2.2
130.07695	0.7
131.04947	3.4
131.08553	4.3
133.06503	12.9
133.10179	4.9
135.11725	3.4
135.88402	0.8
141.06984	1.0
143.08572	1.8
144.05707	3.2
145.06493	12.5
145.09044	0.7
145.10127	3.2
147.08049	6.8
147.11678	1.5
149.09686	1.5
149.13261	1.2
153.07019	1.2
155.08595	1.7
157.06483	28.0
157.10162	3.0
158.07294	0.8
159.08061	12.8
159.11700	2.4
161.09616	4.1
161.13272	1.4
165.07056	1.7
167.08578	1.5
170.07306	1.8
171.08047	15.8
171.11739	1.1
173.09644	5.7
173.13237	0.9
174.18736	1.0
179.08536	1.0
181.06607	1.3
183.08057	6.8
184.08841	2.1
185.09628	16.0
185.13208	1.2
187.11203	3.6
187.14832	0.9
193.10136	0.9
195.08107	1.9
197.09607	7.0
199.11180	13.9
201.12827	1.1
209.09578	1.1
211.11221	5.4
213.12753	8.0
219.13805	0.8
221.09576	0.8
223.17023	1.2
225.12831	2.1
227.14380	4.4
237.18466	2.3
239.14380	1.4
241.15977	1.8
251.20000	0.9
253.15970	1.2
263.20255	1.3
273.18497	1.4
277.21713	4.8
290.36066	0.8
291.19696	2.0
309.18405	1.7
323.20163	1.0
337.21603	1.3
347.23538	1.4
365.24805	17.8
366.25076	1.0
383.11371	3.0
383.25830	37.1
383.33438	1.8
384.26260	1.0
387.31921	0.9
397.81763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02376	0.6
52.94313	0.5
53.03947	1.8
55.01856	0.5
55.05514	5.3
57.07079	0.6
63.73680	0.5
67.05507	9.9
69.07062	4.2
70.12790	2.4
71.05017	1.0
77.03941	0.7
77.73259	0.6
79.05499	6.7
81.03461	0.5
81.07066	10.3
83.08632	2.1
85.06570	0.8
86.34879	0.5
91.05490	3.9
93.07059	5.3
95.04976	1.8
95.08615	9.9
97.06512	0.7
97.10168	1.1
98.21471	0.7
103.05471	0.6
105.04522	0.8
105.07043	5.4
107.04962	100.0
107.08578	3.8
108.05318	1.0
109.10144	4.4
117.07043	1.8
119.08588	3.1
121.06535	1.8
121.10154	3.7
123.11716	1.3
128.06255	1.3
129.07034	1.8
131.04939	0.9
131.08589	2.1
133.06500	10.1
133.10133	2.1
135.08038	1.2
135.11731	2.4
141.07047	0.9
143.08620	1.3
144.05743	1.6
145.06500	13.7
145.10107	1.0
147.08060	3.7
147.11737	1.5
149.13255	1.1
153.06981	0.9
155.06068	1.3
155.08563	0.8
157.06506	27.9
157.10100	0.8
158.07211	1.2
159.08060	6.7
159.11781	0.8
161.09653	3.2
165.07036	1.3
167.08546	1.1
169.06494	1.1
170.07310	2.0
171.08063	14.7
171.11604	0.8
173.09651	5.8
173.13205	0.9
175.11214	1.2
179.08542	0.8
181.06448	1.0
181.46835	0.6
183.08064	6.9
183.11736	0.6
184.08864	2.6
185.09616	12.7
187.11189	2.7
195.08028	0.6
197.09619	6.7
198.10529	0.6
199.11223	7.8
201.12810	1.1
209.09691	1.1
211.11174	4.1
213.12766	9.1
225.12816	2.6
227.14310	4.5
237.12880	0.5
237.18448	1.0
239.14400	1.7
241.15915	2.6
253.15883	1.5
255.17593	0.8
265.15891	0.7
269.35837	0.5
275.20181	0.6
277.21674	9.2
287.16324	0.6
295.16934	0.8
299.16498	0.9
309.18549	1.6
313.18085	1.1
315.78900	0.6
323.20007	1.2
327.19763	0.9
347.23608	1.5
365.24768	15.5
383.25858	35.9
384.26312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.94868	4.2
55.01870	5.6
55.05511	23.1
57.03448	4.5
57.07071	17.5
59.04999	6.0
65.03946	4.0
66.91442	3.8
67.05511	42.8
69.03429	16.9
69.07066	20.9
71.04988	6.2
71.48335	4.1
79.05500	40.3
81.03416	8.2
81.07055	54.4
83.04993	9.8
83.08631	8.7
85.06560	9.9
91.05484	59.7
93.07047	100.0
95.04993	24.4
95.08598	50.5
97.02920	4.4
97.06535	17.2
105.07037	88.4
107.04954	4.3
107.05882	4.1
107.08599	49.1
109.06530	25.7
109.10173	32.9
111.08086	12.1
113.06015	4.7
115.05489	4.2
117.07024	14.5
119.08600	65.1
121.06532	14.3
121.10159	45.3
123.08067	40.7
123.11668	4.4
123.51577	4.1
128.06218	8.7
129.07042	10.6
131.08600	37.3
133.06485	11.8
133.10153	36.5
135.08044	24.0
135.11682	11.5
137.05966	6.1
137.09612	12.6
141.06946	10.0
142.07788	20.5
143.08597	30.3
145.06458	8.8
145.10127	50.6
147.08051	33.2
147.11685	19.7
149.09644	26.6
149.13281	6.2
151.07573	44.5
155.08601	9.4
156.09320	9.2
157.10123	44.4
159.08008	12.0
159.11717	23.2
161.09656	21.2
161.13252	7.8
163.11174	7.4
165.06966	4.8
165.09160	39.5
167.08557	9.7
169.10138	6.5
170.10857	9.4
171.11633	15.2
173.09628	14.1
173.13260	11.1
175.11172	23.9
175.14865	7.2
177.09146	13.8
181.10147	11.2
185.09695	4.4
185.13367	26.9
187.11214	9.8
189.12810	13.7
191.14323	6.4
193.10130	5.7
195.11670	5.3
197.13286	10.8
201.12788	10.7
203.14299	37.0
207.11894	5.4
207.13846	13.1
209.13194	6.3
209.15213	5.6
211.14828	6.1
213.12811	7.3
215.10640	4.8
215.14270	6.8
219.13788	8.0
221.15370	71.9
223.14955	5.1
224.13977	5.0
225.16579	5.2
229.15697	4.9
231.13904	5.8
234.16162	16.3
286.19144	9.1
287.20032	8.8
294.38672	5.4
365.24710	18.3
383.25745	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03950	1.8
55.05517	9.2
57.07067	1.9
59.04979	1.2
60.01144	0.9
67.05508	16.7
69.03436	1.1
69.07078	7.4
69.65156	5.4
71.04999	1.7
75.51996	0.9
79.05497	11.3
81.03429	1.0
81.07056	17.2
83.04992	1.0
83.08623	4.3
85.06576	1.0
91.05475	11.0
93.07050	16.2
95.04983	3.0
95.08611	17.8
95.09182	1.6
97.06551	2.4
97.10176	2.0
99.08107	4.0
103.05460	1.3
105.04485	1.2
105.07030	14.0
106.29827	1.0
107.04961	100.0
107.08607	11.1
108.53795	1.2
109.06562	2.3
109.10167	12.4
111.08082	1.6
111.78967	0.8
114.06210	1.0
117.07023	3.5
119.08588	15.1
121.06522	2.8
121.10161	10.6
123.08080	3.9
123.11716	2.9
125.09705	1.4
128.06239	2.7
129.07033	3.1
131.08569	7.4
133.06500	11.2
133.10129	7.9
135.08099	1.9
135.11720	5.5
137.09680	1.3
142.07767	2.0
143.08543	5.9
144.05693	2.4
145.06497	11.8
145.10144	7.8
147.08023	5.1
147.11681	5.8
149.09650	1.8
149.13286	2.2
151.07532	2.3
151.11116	1.1
153.06956	1.8
155.06042	1.0
155.08585	2.6
156.09471	1.4
157.06506	26.8
157.07791	1.8
157.10123	7.8
158.07295	1.6
159.08092	6.9
159.11711	7.5
161.09633	7.1
161.13264	4.0
163.11151	1.3
165.06996	1.2
165.09100	2.4
169.06483	2.1
169.10159	3.4
170.07259	2.5
171.08072	16.7
171.11667	3.6
173.09644	7.1
173.13290	3.7
175.11183	1.7
175.14825	1.9
177.12762	1.7
181.10126	1.1
182.07306	1.2
183.08052	8.0
183.11720	3.3
184.08861	2.2
185.09631	17.8
185.13269	4.2
187.11253	2.0
187.14865	2.4
189.12804	1.9
189.16327	1.1
192.66624	1.1
193.10191	1.3
195.08093	1.4
195.11758	1.5
197.09627	6.9
197.13275	2.1
199.11205	13.0
199.14915	1.1
201.12767	2.2
201.16324	2.0
203.14334	2.9
203.18190	1.1
207.13719	1.0
209.13310	1.8
209.15254	1.1
211.11194	7.9
211.14832	0.9
213.12718	11.9
213.16364	2.8
215.17960	1.0
221.15344	3.4
225.12775	3.2
225.16371	1.5
227.14348	5.4
227.17938	2.2
237.16440	1.4
239.14377	2.1
239.18089	1.0
241.15913	2.5
241.19507	1.2
253.15823	1.2
253.19514	1.0
255.17245	1.6
271.20526	2.0
277.21753	5.6
279.21255	1.2
281.19235	1.4
281.22488	1.5
285.22168	1.0
289.21500	1.0
295.20554	2.2
295.24048	1.2
309.18372	1.5
309.22253	1.3
313.18097	1.6
323.19968	1.4
347.23550	1.7
365.24710	18.8
365.28601	7.7
383.25766	34.2
383.29752	6.9
384.26065	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06042	3.0
53.03936	6.6
55.05507	18.0
57.03433	3.3
57.07070	11.5
59.04995	3.9
65.03941	5.3
67.05507	45.3
69.03415	13.1
69.07060	11.3
71.04985	11.2
71.49374	3.2
79.05494	40.0
79.75986	3.2
81.03433	7.2
81.07061	45.9
83.04974	10.7
83.08611	5.5
85.06563	6.9
91.05491	45.1
93.07050	100.0
93.07632	6.0
95.04974	28.2
95.08610	47.3
97.06527	16.0
103.05481	5.8
105.07038	83.6
107.04957	12.5
107.08600	51.0
109.06498	22.4
109.10159	34.1
110.64211	3.4
111.08074	6.8
115.05450	4.0
117.07031	15.5
119.08572	51.2
121.06514	14.0
121.10147	45.5
123.08088	30.6
128.06221	7.3
129.06999	13.7
130.07753	5.5
131.08586	35.4
133.06491	10.4
133.10143	34.6
135.08057	29.1
135.11678	9.4
137.06017	4.8
137.09615	13.2
141.06966	5.5
142.07825	17.5
143.08568	25.8
145.06465	5.4
145.10124	35.6
147.08086	28.9
147.11705	18.0
148.08749	3.6
149.09616	32.5
149.13248	3.3
151.07553	41.4
153.09047	3.9
155.08560	10.1
156.09377	6.5
157.06531	4.6
157.10139	38.3
158.10805	3.4
159.08058	9.5
159.11720	17.6
161.09630	16.5
161.13278	11.4
163.11244	5.5
165.09155	40.8
169.10139	9.0
170.10893	6.7
171.11636	7.1
173.09698	13.2
173.13226	6.9
175.11150	16.2
175.14754	6.8
177.09111	15.2
179.08487	5.0
183.11644	6.7
185.13252	13.6
187.11214	8.3
187.14793	6.3
188.12053	3.1
189.12775	10.5
191.10667	3.5
197.13268	6.6
199.11189	8.8
201.12779	10.9
203.14369	30.0
207.11940	4.9
207.13823	14.2
213.12642	6.2
215.14290	7.7
219.13812	4.6
221.15367	67.0
225.12511	4.1
227.14438	6.6
229.12048	3.4
231.13831	4.2
233.15364	7.3
234.16107	17.9
243.13820	4.1
286.19370	3.7
287.19943	6.0
299.19980	3.6
303.19550	6.4
309.18402	3.3
365.24753	11.9
383.25632	57.1
383.29727	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	383.2944
Annotation	desmethyl tocotrienol
Peak:m/z	Relative Intensity
53.03938	4.8
54.32130	1.2
55.01852	1.6
55.05509	7.2
57.03442	1.7
57.07074	8.6
57.39383	1.2
65.03939	4.1
67.05508	38.8
69.03431	100.0
69.07069	11.1
71.04990	3.5
71.08630	5.4
73.35341	1.3
75.99267	1.4
79.05495	17.6
81.03419	38.3
81.07053	23.7
82.71352	1.3
83.08626	6.0
85.06536	1.8
85.10191	2.2
87.54831	1.3
91.05466	12.3
93.07044	21.8
95.04968	69.9
95.08605	30.7
97.02888	3.8
97.06555	3.8
97.10161	3.9
99.04488	1.5
99.08065	1.4
103.05492	1.4
105.07023	16.8
107.04955	12.4
107.08595	28.3
109.02882	14.9
109.06526	5.2
109.10168	22.4
111.08080	2.3
117.07043	5.6
119.08592	23.1
121.06512	3.4
121.10149	19.9
123.11722	11.2
127.03939	2.6
129.07022	2.4
131.08597	10.4
133.10138	15.0
135.08060	8.2
135.11694	14.5
137.09656	2.7
137.13258	2.4
141.07065	2.1
142.07745	1.5
143.08588	7.3
145.10132	13.1
147.08090	3.3
147.11702	11.4
149.09647	3.7
149.13264	7.2
155.08545	2.3
157.10109	9.1
159.08038	1.7
159.11707	12.7
161.09627	7.2
161.13277	11.5
163.14857	3.9
169.10181	4.1
171.11700	5.9
172.80020	1.3
173.09618	2.9
173.13234	9.7
175.11189	2.5
175.14786	9.1
181.10114	2.2
183.11723	5.9
185.13310	6.4
187.14804	12.2
189.16364	8.5
191.17932	3.1
195.11652	3.5
195.61180	1.5
196.12527	1.7
197.13255	3.3
199.14873	4.0
201.16418	7.0
203.14313	1.5
203.17996	4.0
207.11801	1.5
209.13297	3.6
211.14891	5.8
213.16400	5.7
215.17982	5.5
217.15833	2.0
217.19638	1.6
223.14832	2.2
225.16405	4.9
227.18019	4.6
229.15941	4.1
229.19554	4.8
239.17918	3.5
239.23642	1.6
241.15950	2.2
241.19572	3.5
243.17398	2.8
243.21193	5.1
251.18086	1.9
251.64719	1.6
253.19571	3.6
279.21228	3.7
291.21063	2.5
295.20633	2.8
295.24106	1.6
297.22656	2.7
297.25720	13.9
304.22104	1.6
311.23810	1.7
321.25818	3.6
337.28894	2.4
339.26907	4.6
347.27371	8.5
365.28403	37.4
365.32770	2.8
383.29413	76.0
384.30048	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37448	0.9
53.03936	4.5
54.49575	0.9
55.01880	7.2
57.03440	5.3
57.07059	2.4
58.94305	0.8
61.02930	6.3
68.99776	2.0
69.03429	34.4
70.06592	2.6
71.04983	4.8
71.48674	1.4
72.08175	1.5
73.02931	5.4
81.03415	26.3
84.08132	1.3
85.02905	100.0
86.09717	1.6
87.00830	43.2
87.04461	1.8
91.03953	1.2
97.02893	35.9
99.04467	13.7
101.02396	1.0
101.09637	1.6
101.61472	1.1
105.01865	71.7
107.04972	1.4
109.02881	29.2
117.01855	2.4
119.10689	5.1
127.03918	70.8
129.01846	3.4
145.04965	32.4
146.33293	1.0
147.02840	3.4
153.05444	3.1
159.02887	14.2
188.14268	1.0
189.03911	2.9
213.03920	5.3
217.67407	1.3
222.11165	1.2
231.04997	20.8
249.06094	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1879
Annotation	9-(alpha-D-glucosyl)dihydrozeatin
Peak:m/z	Relative Intensity
53.03960	0.5
55.01867	0.8
56.05014	0.4
57.03432	1.2
61.02939	2.0
69.03435	5.9
69.07076	5.7
69.33242	2.8
70.06596	4.1
71.04976	0.5
72.08168	1.8
72.51945	0.4
73.02920	1.4
74.06091	0.6
75.71759	0.4
76.32728	0.4
79.05486	0.5
81.03419	2.1
83.01398	0.4
84.04494	0.6
84.08144	1.7
85.02908	9.9
85.03387	0.8
86.09721	1.2
87.04468	1.4
91.04012	0.5
91.05461	0.5
97.02895	4.6
98.20760	0.5
99.04510	1.0
107.04967	1.4
109.02876	1.3
110.07161	2.1
113.88666	0.3
116.07125	0.4
119.03614	0.4
120.08073	0.5
121.50465	0.4
127.03906	2.2
127.08638	0.5
129.10255	1.1
130.06619	0.5
136.06190	33.1
137.04645	0.7
138.05492	0.7
141.33165	0.4
145.04967	1.1
148.06192	16.8
155.05688	1.4
198.71498	0.5
204.12453	5.2
212.08488	0.4
222.13507	100.0
223.13733	1.7
230.59723	0.4
264.14542	0.5
342.10373	0.6
384.13510	4.8
384.18735	30.7
385.14331	0.6
385.18909	0.9
386.42047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01862	7.5
56.96564	28.5
61.02928	4.3
64.74867	3.0
67.05504	3.7
67.53629	3.1
69.03412	10.9
69.40607	23.0
70.06593	40.8
72.08132	8.6
79.05489	6.2
81.03422	5.0
84.04472	4.8
84.08139	11.1
84.96043	8.5
85.02907	25.0
86.09702	5.0
87.04455	3.6
87.83862	2.8
88.02248	4.6
90.04783	2.9
91.05452	4.4
97.02881	13.7
98.20795	6.6
98.96944	6.1
98.97588	100.0
99.04450	4.5
103.05450	9.0
105.07040	47.8
107.04955	94.4
108.05252	4.3
108.35986	3.6
109.02866	4.5
109.86293	3.2
110.07162	9.0
110.97581	44.3
112.08721	10.0
112.99128	4.9
115.05444	13.4
116.07083	6.0
116.98633	29.3
120.08099	6.8
123.04436	4.9
127.03874	6.7
128.98607	33.6
129.10182	3.2
131.00122	4.7
131.04941	5.9
133.06506	42.3
134.02672	5.4
134.99677	8.4
136.06155	11.1
137.05923	4.5
138.09111	9.0
140.98615	3.8
143.00146	6.8
144.98167	3.6
145.06505	4.2
146.99643	12.1
147.04384	5.7
152.98524	6.0
158.99673	16.6
161.01199	6.0
161.05994	73.0
167.07066	18.8
170.99643	12.2
173.06097	3.4
173.86322	2.9
174.99104	3.9
175.07555	4.1
177.00710	13.8
181.01712	5.7
187.46802	3.7
189.00647	6.0
190.06134	3.1
193.08624	44.5
201.00638	10.4
205.01698	3.9
205.08580	6.6
207.06570	6.7
211.02818	4.2
215.07164	3.3
219.01779	52.9
223.02711	6.8
225.17036	6.2
231.06458	4.5
233.04416	5.9
235.02686	4.3
237.02795	82.2
244.05956	8.1
251.09192	15.0
252.07265	5.5
253.06729	10.7
261.07608	7.9
265.03784	3.7
275.09085	4.7
287.05536	7.5
307.04779	11.5
307.07993	4.8
325.05963	84.2
343.01273	4.2
343.07050	11.1
357.24246	3.6
361.02365	31.7
379.03528	5.5
385.07437	18.1
385.14749	6.2
385.25656	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	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63442	8.0
55.05511	8.9
56.05299	7.3
69.03432	14.6
69.07077	12.2
70.06593	13.8
71.48454	10.3
79.05536	8.1
79.06110	7.9
81.07052	8.7
85.02877	13.1
86.09716	100.0
90.35773	7.4
91.05482	17.0
93.07059	14.9
95.04969	10.4
105.07050	23.2
107.04959	70.5
107.08603	19.6
109.06522	8.9
117.07041	9.4
119.08585	19.9
120.08125	10.9
121.10173	10.9
123.06193	7.4
131.04930	10.1
131.08586	11.4
133.10162	9.8
133.11076	9.0
135.08130	13.0
135.11700	8.1
144.09370	19.0
145.10139	16.9
149.09607	7.9
159.11662	36.0
161.09593	22.6
163.11176	71.3
167.07108	10.4
177.12769	53.9
187.11180	82.4
195.03143	7.7
205.12209	83.3
209.05977	9.0
223.13312	8.0
251.07002	17.3
279.17102	32.0
385.14011	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96338	2.2
53.03937	8.9
55.01876	23.3
55.05515	98.8
57.03441	16.9
57.07063	2.5
65.03938	4.3
67.05507	65.2
69.03424	8.4
69.07069	25.8
69.84269	14.1
71.04988	5.8
71.08642	14.8
79.05497	67.5
81.03420	15.8
81.06599	3.3
81.07063	60.3
83.04990	32.9
83.08618	53.0
85.02895	9.1
85.06520	2.5
91.05488	36.1
93.06502	3.1
93.07049	50.2
95.04974	90.2
95.08613	29.4
97.02915	2.1
97.06526	8.5
97.10174	55.3
98.21461	3.8
99.04449	5.8
99.08091	17.7
105.07036	27.8
107.04958	22.6
107.08604	55.8
109.06520	15.8
109.10165	20.3
111.04449	26.9
111.08076	16.3
117.07008	16.7
119.08573	24.1
121.06532	11.4
121.10150	25.6
122.37318	2.2
123.08061	8.4
123.11689	6.0
125.05912	3.2
125.08793	3.8
125.09644	50.8
129.06985	7.1
131.04932	3.6
131.08566	21.3
133.06488	4.9
133.10135	18.0
135.08043	13.6
135.11694	16.6
137.09604	3.0
139.11195	6.8
141.06963	3.0
143.08536	3.4
143.10681	3.3
145.10130	26.9
147.08035	4.8
147.11667	10.5
149.09628	38.3
149.13225	5.8
151.11201	4.7
153.09117	7.0
153.12766	9.2
155.08504	2.8
157.10121	6.0
159.08006	2.7
159.11674	14.0
161.09663	6.6
161.13303	3.0
163.11189	49.8
165.09117	2.7
165.12762	4.8
167.10660	4.8
169.10049	3.2
171.10162	12.2
171.11606	4.7
171.61118	2.5
173.09659	4.4
173.11763	2.9
173.13177	4.2
177.12729	7.5
177.22914	3.0
181.12253	8.1
187.11171	5.8
189.11221	48.2
189.12764	4.9
191.10681	6.9
193.12227	7.6
195.13846	4.7
197.11075	3.1
197.13062	2.9
202.46371	2.8
205.12318	6.9
215.14374	3.1
223.13286	62.1
227.12677	13.1
229.19579	6.6
231.14020	2.3
239.17857	5.2
247.20528	4.1
257.19022	10.7
275.20062	77.3
276.20428	3.8
293.21133	100.0
311.22131	4.1
349.23709	3.7
367.24915	38.7
382.24493	2.8
385.14172	3.5
385.26157	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.1
55.01864	19.0
55.05296	5.2
55.05515	45.0
55.45108	5.7
57.03431	18.3
57.07066	7.6
65.03923	6.1
67.05179	8.5
67.05508	100.0
69.03440	11.3
69.07083	30.6
69.20636	5.1
71.05003	10.4
71.08642	7.0
71.49069	6.7
79.05498	57.2
81.03416	8.3
81.07064	96.1
83.04984	23.9
83.08626	20.9
84.08149	6.0
85.06553	10.9
91.05490	86.1
93.07066	57.0
95.04974	60.6
95.08606	47.9
96.29047	5.6
97.06513	11.5
97.10150	10.5
99.08090	8.9
101.02380	6.7
105.07038	74.3
107.04952	16.4
107.08587	56.9
109.06529	12.9
109.10161	44.4
111.04419	7.4
113.06040	5.4
117.07014	10.5
119.08587	30.5
121.10168	15.7
123.08068	9.3
123.11708	16.4
125.09638	13.1
129.06969	9.6
131.08585	19.2
133.10138	96.2
135.08066	18.6
135.11676	14.9
137.09627	7.6
143.08588	6.3
145.10089	14.7
147.08017	9.3
147.11679	25.5
149.09648	13.4
149.13335	6.6
149.16347	5.8
151.11215	48.6
157.10115	10.1
159.11679	13.3
161.09599	8.7
163.11218	10.2
165.12791	11.6
169.12332	7.3
173.13179	6.2
175.11194	17.0
177.09206	5.2
189.39528	5.8
193.12222	19.9
207.54619	5.5
211.13264	28.0
215.12534	6.6
223.13063	6.8
253.14453	11.1
257.97849	5.6
275.20108	16.6
285.16965	41.3
293.21310	25.5
299.18945	5.4
367.24747	17.0
385.09689	7.3
385.26236	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2737
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
50.63524	1.7
55.05510	11.5
55.78409	2.0
67.05493	7.6
69.07079	15.2
79.05483	6.4
81.07078	12.8
81.07506	3.1
83.08609	7.1
91.05461	4.3
93.07037	4.8
95.08608	10.9
97.10159	3.9
98.21548	3.7
102.66269	1.9
103.05442	2.2
105.07018	7.7
107.04961	100.0
107.08558	2.3
109.10148	6.6
117.07031	8.3
119.08556	2.7
121.06496	8.2
128.06149	2.3
129.06943	2.6
131.04997	4.2
131.08551	3.9
133.06508	48.8
137.09622	2.1
141.06963	3.4
144.05652	3.9
145.06500	74.6
145.10205	2.2
147.08049	20.5
155.06001	3.0
157.06523	32.7
158.07251	2.4
159.08066	40.6
161.09644	16.3
171.08070	13.9
173.09621	33.3
175.11166	4.9
183.08011	5.1
185.09619	7.8
187.11201	31.6
189.12762	2.0
195.08101	2.1
197.09499	2.4
199.11147	8.1
201.12708	21.8
213.12608	2.4
215.14351	15.2
227.14250	4.0
228.91309	2.0
229.15903	7.9
243.17577	2.6
279.23117	2.8
283.16971	4.5
285.18570	2.4
297.18405	3.8
301.17883	3.2
311.19894	2.8
315.19382	4.2
325.21844	2.2
349.25089	2.4
367.21780	3.1
367.26370	53.9
370.64487	2.1
375.33069	1.9
385.27341	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	385.2737
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
55.05509	10.4
57.07068	2.8
67.05499	11.5
69.07067	11.7
71.49136	4.6
79.05518	5.5
81.07065	14.9
82.65770	2.9
83.08628	7.6
91.05485	5.9
93.07034	7.8
95.04951	2.9
95.08622	15.2
97.10183	3.7
105.07027	8.0
106.93899	2.5
107.04958	100.0
107.08620	7.9
109.10134	6.0
115.11793	2.9
117.07025	4.9
119.08540	4.8
121.06489	5.3
121.10111	5.4
125.09724	2.8
131.08582	4.2
133.06474	30.7
133.10172	5.3
141.06963	3.1
144.05656	3.6
145.06490	57.1
147.08067	12.4
147.11633	3.1
154.60214	3.0
157.06500	25.9
159.08067	29.5
159.11607	3.1
161.09650	17.6
161.10757	3.2
171.08005	7.7
173.09605	16.1
175.11206	7.0
181.12106	2.9
183.08014	5.5
185.09529	3.5
187.11227	19.8
199.11023	5.1
201.12753	12.8
213.12727	4.3
215.14351	8.6
226.24057	3.3
279.23010	4.9
311.19934	3.4
330.60617	2.7
367.26352	37.7
385.27307	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	385.2737
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
55.01872	1.5
55.05512	8.2
57.07068	2.9
64.53475	1.0
67.05228	1.1
67.05511	11.8
69.07076	11.1
69.91231	4.3
71.04991	1.6
71.08660	1.6
79.05492	5.5
81.07055	13.6
83.04979	1.3
83.08627	3.7
85.06538	1.8
88.00513	1.1
90.39231	1.0
91.05492	6.1
93.07051	5.4
95.04987	1.3
95.08601	11.0
97.06553	1.2
105.07065	6.8
107.04957	100.0
107.08611	4.9
109.06473	1.2
109.10178	5.9
111.08119	1.4
115.05393	1.3
117.07027	4.5
119.08564	4.4
121.06518	4.5
121.10159	1.8
123.11709	2.5
125.09664	1.2
129.06975	1.9
129.62234	1.1
131.04936	5.3
131.08568	5.1
133.06494	28.7
133.10141	2.2
135.11639	1.6
141.06953	1.8
144.05728	4.2
145.06485	52.6
145.10124	2.0
147.08072	8.9
147.11703	1.8
151.11169	1.4
155.06078	3.2
155.08647	1.5
157.06485	23.0
158.07256	1.6
159.08052	30.5
159.11560	1.2
161.09622	2.5
161.13344	1.6
163.11171	1.7
169.07672	2.2
171.08060	15.9
173.09631	20.8
175.11214	1.7
183.08063	3.1
185.09637	6.3
187.11171	9.1
189.12762	1.5
197.09560	1.9
199.11206	2.0
201.12718	9.3
203.14377	2.0
213.12759	3.3
215.14359	9.6
227.14359	3.0
229.15935	9.7
241.15935	2.2
243.17453	5.0
251.14362	1.6
255.17416	2.1
257.18994	1.3
269.19171	1.3
273.14978	2.5
279.23209	3.0
283.20682	1.6
287.16473	2.7
297.18442	2.1
301.18018	3.4
315.19574	2.9
349.25293	2.6
367.26358	25.4
368.26520	1.5
385.14581	2.6
385.27423	44.8
386.27838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3101
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
53.03955	2.9
55.05510	12.4
57.07067	3.6
58.48156	2.0
67.05509	22.7
69.03420	6.7
69.07069	20.6
69.16135	6.9
69.16552	15.6
73.28564	2.4
79.05504	13.9
81.07059	44.2
83.08642	8.1
91.05457	18.1
93.07050	41.8
94.21947	2.1
95.04945	2.8
95.08611	61.2
97.10169	6.1
105.07035	38.6
107.04970	14.1
107.08595	70.8
109.10165	48.4
111.04442	3.0
111.11719	2.8
113.05936	2.2
117.07020	5.4
118.37267	2.3
119.08582	40.6
121.06596	2.7
121.10146	100.0
123.11756	14.0
127.11095	2.7
129.06976	2.4
131.08575	8.3
133.06499	9.9
133.07524	2.2
133.10132	33.7
135.11694	77.7
136.12048	2.7
137.13266	6.5
141.06989	3.3
143.08572	3.5
145.05457	3.8
145.06462	14.7
145.10114	11.3
147.08054	4.7
147.11700	27.3
149.09566	3.3
149.13252	21.0
154.07727	3.6
155.08435	2.7
157.06497	4.9
159.08083	10.3
159.11673	11.3
161.09586	3.2
161.13251	15.4
163.11183	6.8
163.14853	11.6
167.10771	5.6
169.10143	4.8
171.11818	3.3
173.09589	5.5
173.13297	6.4
175.11166	3.1
175.14816	10.6
177.12744	9.0
177.16408	6.3
181.12199	13.8
183.11755	3.1
185.09631	4.3
185.13158	3.3
187.11258	5.1
187.14882	4.9
189.16415	14.8
191.17946	61.4
193.12206	6.4
195.13770	21.5
197.09673	12.2
197.61610	2.4
198.09966	9.3
201.12764	8.0
201.16431	3.4
203.17972	38.0
205.19560	7.0
207.13737	2.9
213.12619	2.6
217.19539	24.8
221.15442	3.8
247.17159	2.9
275.19992	4.1
289.21539	2.7
315.23309	3.6
367.22430	4.1
367.26355	9.8
367.30182	2.8
385.10281	2.2
385.14877	11.6
385.23474	5.2
385.27426	7.0
385.31226	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	385.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.05514	65.4
57.03426	11.5
57.07086	41.7
66.13660	4.6
66.62006	4.6
67.05508	86.7
69.07077	99.4
71.04988	7.4
71.08636	26.0
71.48874	6.2
73.06528	4.4
79.05503	55.3
81.07061	100.0
83.04977	5.4
83.08617	79.6
85.06512	10.0
85.10178	16.8
91.05487	14.0
93.07052	60.0
95.04971	8.1
95.08617	86.1
97.06525	36.6
97.10173	45.6
102.50654	4.8
105.07044	8.3
107.08601	49.7
109.10175	47.2
111.08079	17.4
111.11712	17.3
119.08601	8.1
121.10155	78.2
123.11720	30.1
125.80683	4.9
135.11713	64.4
137.13246	8.2
145.10144	5.9
149.13277	28.2
159.11711	8.1
177.16460	8.1
181.15924	6.7
191.17937	7.1
193.19481	7.1
275.20251	6.7
275.27338	53.1
293.28323	59.4
313.57666	5.2
367.32120	49.8
378.87778	5.3
385.27896	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	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32917	1.0
53.03940	1.4
55.05511	2.7
56.05033	1.4
56.96566	3.1
57.03434	1.3
60.04520	1.4
60.05647	1.3
61.02931	2.2
65.03938	2.1
67.05498	2.4
68.12317	1.1
69.03416	6.5
69.07044	1.3
70.02937	3.8
70.06597	13.1
71.04993	1.6
72.08159	10.1
73.02921	1.3
74.02446	13.0
74.06080	1.3
81.03420	3.1
83.04975	2.2
84.04543	2.6
84.08141	7.3
85.02911	14.4
86.09706	7.1
87.04441	1.5
88.03988	4.8
90.98297	1.1
92.05005	3.1
93.03400	1.2
95.05002	1.3
97.02908	6.7
98.97579	10.6
99.04456	1.7
100.98043	1.5
107.04947	17.4
108.04440	2.3
109.02868	1.9
110.06047	100.0
110.97578	4.8
111.04463	1.4
112.07624	1.4
114.06645	1.6
114.09169	1.6
115.08661	1.2
116.03447	2.4
116.98628	2.7
119.08619	1.6
121.23239	1.1
122.05998	1.8
122.29350	1.0
123.04447	3.8
127.03928	3.5
127.05025	1.1
128.98611	2.3
129.10233	3.2
134.06000	6.3
135.11684	2.6
136.03920	2.0
137.05978	2.3
145.04991	2.0
145.10023	1.1
152.07040	2.5
158.09233	1.6
158.99684	2.0
161.01167	1.4
161.07161	7.7
161.13313	1.8
162.99092	1.3
167.06998	6.1
175.11847	3.3
177.00745	1.6
179.08189	9.9
182.99680	1.4
190.04974	2.4
194.04573	1.1
201.00592	1.5
207.07648	15.1
207.11752	1.2
207.13782	1.8
211.14301	1.4
219.01799	4.7
225.08713	48.3
237.02808	5.9
256.08325	2.9
267.09851	2.4
287.05438	1.7
303.09610	1.8
325.05823	1.6
343.01437	1.4
343.13620	2.3
347.43344	1.1
359.62057	1.2
361.02219	3.3
387.12485	5.1
387.17215	1.1
387.23279	4.6
387.27271	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	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.69948	0.5
51.02365	0.4
52.10283	0.4
53.03932	1.4
55.01867	1.6
55.05506	0.8
65.03940	3.1
66.04736	0.5
67.05496	1.6
68.05045	0.6
69.03423	1.3
69.07048	1.1
69.17090	1.3
69.17499	3.0
70.06587	0.5
78.04694	0.5
79.05498	3.2
81.03401	1.1
81.07040	1.6
82.04195	0.8
83.08604	0.9
85.02902	1.0
91.05493	3.2
93.03412	0.7
93.07034	0.8
94.04176	3.5
95.04974	1.7
95.08601	1.3
97.06530	0.6
102.04737	0.6
103.05474	8.9
105.03396	0.8
105.04512	0.8
105.07037	2.6
106.04163	0.7
107.04965	6.9
107.08575	0.9
108.02139	0.6
108.04556	1.0
108.05303	0.5
109.02860	0.6
109.06537	0.9
111.04424	0.6
115.05444	3.2
117.07038	3.2
118.04161	2.1
119.04972	0.9
119.08578	0.9
121.06503	1.6
122.03651	9.2
122.11907	0.5
123.04427	1.1
124.05157	0.4
124.08678	0.8
125.05994	1.2
129.06999	0.8
130.04123	0.6
131.04938	6.7
132.05721	0.5
133.02834	0.8
133.06487	1.5
134.03622	0.9
135.04526	0.6
135.08092	0.8
137.05981	100.0
138.06340	1.1
141.05515	0.6
142.02612	0.7
143.04927	3.1
145.06487	3.3
147.04433	0.6
147.08037	1.0
148.05200	4.5
149.06000	1.2
151.03911	18.7
151.05031	2.2
152.04488	0.6
152.07094	0.6
153.05473	1.0
153.12776	0.6
155.06038	1.1
160.05286	0.7
161.05998	1.3
163.07550	7.8
163.11232	0.5
164.65993	0.4
165.05547	0.6
165.06982	0.6
165.09210	0.6
165.47842	0.5
167.07050	15.0
171.06567	0.8
173.06015	4.0
175.07570	1.3
176.04736	1.0
177.05504	0.9
181.04961	23.2
187.07475	0.8
191.07036	24.3
191.33180	0.5
193.08577	0.7
195.06447	1.1
203.06949	2.4
203.08696	0.7
205.06731	0.8
205.08534	2.3
209.08130	0.7
215.07028	0.8
217.08601	0.8
219.08205	0.9
231.08070	0.9
233.05997	0.6
233.08101	1.2
234.06895	1.1
235.07553	1.1
235.09671	2.6
237.09122	1.1
247.07512	0.8
248.08380	0.5
249.09135	0.8
251.07126	0.6
253.08560	0.6
255.10182	1.0
267.10223	0.7
269.08069	0.5
275.07007	0.6
276.07928	0.8
277.08615	1.7
278.09561	0.7
279.06741	0.7
279.10190	1.3
291.10233	0.7
293.08176	1.3
295.09647	0.7
304.07227	0.5
305.08102	1.9
307.09769	0.8
309.11188	1.3
319.09689	1.4
321.10950	0.5
337.10754	3.4
338.11313	0.6
339.12173	1.1
351.12326	2.1
355.11926	0.9
357.13342	14.1
358.13794	0.6
369.13345	1.9
387.14423	29.7
388.14783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02379	0.7
53.03942	1.2
53.88529	0.8
55.01868	1.8
55.05519	3.3
57.03437	1.3
65.03928	2.0
66.65784	0.6
67.05518	4.4
69.03432	1.4
69.07050	2.2
70.06589	0.8
71.08611	1.2
71.48138	1.0
77.03947	0.7
79.05502	4.4
81.03397	1.3
81.07058	5.5
82.04226	0.6
83.08624	2.0
85.02902	1.4
85.06543	0.7
91.05493	4.4
93.07054	3.8
94.04198	3.6
95.04953	2.3
95.08636	3.2
97.06515	1.1
97.10159	1.0
99.08089	1.6
103.05467	5.6
105.07014	3.3
107.04963	7.9
107.08584	2.3
109.02905	1.4
109.06519	1.4
109.10159	1.9
110.03645	1.2
113.76331	0.7
115.05465	3.1
117.07044	3.5
118.04166	1.5
119.04939	1.0
119.08577	2.8
121.06516	1.5
121.10148	1.7
122.03664	10.1
123.04438	1.4
123.11617	0.7
125.05981	1.2
125.09649	1.4
129.07027	0.7
131.04924	4.8
131.08545	0.9
133.02849	0.9
133.06502	1.5
133.10095	2.0
137.05989	100.0
138.06313	0.9
143.04939	2.6
145.06535	3.2
145.10133	1.0
148.05194	2.7
149.06012	1.2
149.13261	0.9
151.03929	14.4
151.05087	1.9
151.07536	0.9
151.11174	0.7
152.07146	0.9
153.05420	0.9
155.06053	1.4
157.05074	0.7
157.10138	0.8
159.11754	0.7
161.05943	1.0
163.07558	5.6
165.05568	0.8
167.07066	15.5
171.04420	0.8
171.11798	0.7
173.05981	4.7
175.07539	1.2
177.05484	1.0
181.04976	26.3
185.13202	0.9
187.07573	0.8
189.11176	0.8
190.03201	0.9
191.07047	13.7
195.06551	0.8
203.07048	2.6
205.06743	0.9
205.08656	2.5
209.09760	0.7
221.06113	0.7
231.08200	0.9
233.08160	2.2
234.07570	0.8
235.09615	1.4
255.10123	2.9
265.08655	0.9
269.17535	1.2
277.08594	1.2
279.10071	1.0
289.50363	0.6
295.09543	0.9
307.09821	0.7
309.11047	0.9
337.10876	1.8
338.11990	0.7
351.12396	2.0
355.12280	0.9
357.13400	13.0
369.13431	2.0
387.14496	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	4.2
55.05511	11.1
57.03425	7.6
59.14302	3.8
59.41050	4.5
61.02913	4.7
67.05472	6.2
69.03424	14.5
69.07061	7.0
70.06593	7.6
70.63297	12.2
71.04981	5.2
72.08160	100.0
75.76037	4.7
81.03413	7.5
81.07045	5.0
83.04996	4.2
84.08139	4.5
84.14738	4.3
85.02911	38.0
86.09711	29.8
91.05471	10.2
93.07042	11.9
95.04973	6.2
95.08597	42.2
97.02882	12.1
105.07016	19.5
107.04941	10.3
107.08579	7.3
109.02843	4.9
109.06547	5.0
109.10208	10.4
114.73630	4.0
119.08584	30.2
120.08150	6.8
121.06488	7.4
121.10133	11.5
123.08054	19.3
127.03882	4.5
129.10219	18.5
131.04950	5.7
133.06490	9.1
133.10133	15.8
135.11681	35.1
137.09622	11.5
145.04909	6.3
147.11681	16.2
149.09599	25.3
151.07513	15.0
151.11200	4.1
157.09677	10.2
161.13266	46.7
163.11194	14.2
165.12717	6.2
167.07053	13.7
171.11693	5.9
179.14331	6.9
189.12750	57.1
193.08565	6.4
207.13823	59.6
211.14432	7.5
225.14778	9.8
231.17096	9.1
256.16544	8.1
369.13626	7.6
387.14224	7.3
387.19543	6.4
394.60455	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	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.7
57.03426	7.7
61.00528	5.0
61.02923	8.4
67.05506	9.9
69.03426	17.3
69.07064	9.8
69.26916	4.4
70.06590	10.9
70.15750	15.6
71.04986	4.8
72.08160	90.3
79.05489	6.7
81.03423	8.4
81.07054	11.6
82.76719	4.5
85.02908	36.9
85.06567	5.0
86.09715	48.9
88.38571	4.5
91.05496	11.5
93.07046	5.8
95.04921	5.7
95.08611	69.3
97.02900	15.7
105.07039	22.5
107.08625	7.2
109.10175	9.5
119.08588	34.4
121.10152	20.9
123.08051	6.9
127.03953	6.0
127.98232	4.8
129.10233	5.4
133.06462	11.7
133.10155	21.1
135.11696	71.5
137.09631	8.7
145.04892	8.5
145.10043	5.9
147.11719	28.5
149.09636	31.8
158.34818	4.9
161.13261	100.0
165.09230	5.2
171.11717	9.9
171.14906	22.3
174.10411	11.3
179.14369	7.3
185.16515	6.2
189.12711	92.5
197.12691	4.1
199.14412	17.0
207.13799	54.9
257.09918	4.5
364.45755	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	387.2013
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
67.05498	16.0
71.27709	23.3
72.08160	40.2
76.27225	13.3
85.02889	44.5
85.06544	21.8
86.09718	96.7
95.08604	100.0
100.37263	16.7
107.04938	29.7
107.08569	18.9
119.08532	17.8
123.08045	45.9
136.07555	49.5
149.09596	44.2
151.07465	16.6
163.11119	23.0
185.12767	16.7
185.16519	28.7
189.12730	27.3
203.13890	21.7
207.13799	76.5
387.12003	21.4
412.35876	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.91189	9.6
52.02115	9.1
55.01881	12.6
57.03414	17.0
61.18324	9.1
67.05519	17.2
69.03413	28.9
69.07138	9.4
70.06600	13.1
70.77337	17.7
70.77663	10.2
71.04984	16.4
72.08150	16.8
81.07054	19.4
84.08145	9.0
85.02909	72.0
86.09704	27.8
93.07034	19.6
97.02889	27.5
105.07044	14.5
107.04957	22.7
107.08615	14.5
109.10104	17.4
119.08580	24.9
121.10147	46.0
123.08067	56.1
127.03926	11.7
133.10164	16.0
136.33917	9.0
137.09612	31.4
145.04967	21.9
147.08122	10.4
147.11653	17.3
149.09651	100.0
151.07539	58.9
160.14861	10.0
161.13286	9.7
163.11198	35.1
165.09109	35.7
171.11652	16.6
181.12175	30.5
189.12744	43.0
207.13797	92.0
217.79117	10.1
225.14835	74.7
387.20175	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.03448	1.1
60.05650	10.1
61.02938	1.6
67.05507	2.0
69.03421	5.0
69.07082	1.8
69.93246	3.8
70.06596	100.0
71.05003	8.3
71.06933	0.8
72.08164	16.0
72.78944	0.7
73.08473	0.8
74.06108	1.3
79.05489	1.2
81.03442	1.8
81.07074	2.7
83.04968	2.3
83.06125	1.0
83.08595	0.8
84.04504	1.1
84.08151	2.7
85.02908	13.9
85.07685	0.9
86.09714	10.3
88.07618	4.5
91.05485	2.1
93.07042	2.2
94.06547	1.3
95.04992	2.5
95.06104	0.9
95.08583	1.6
96.04504	0.8
97.02891	5.1
97.06544	1.4
97.07682	1.3
98.06065	2.3
99.04436	1.2
105.07040	2.5
107.04978	4.1
107.08603	3.3
109.02907	1.8
109.06526	1.0
110.06069	0.9
110.07176	0.9
112.08735	22.7
115.03967	0.7
115.08709	3.6
115.21187	0.7
116.07108	3.0
119.08599	3.4
120.08060	1.0
121.06516	1.3
121.10123	3.5
122.06029	3.3
123.08075	4.0
124.11234	1.6
125.05998	2.5
127.03929	3.5
129.10251	1.3
131.08534	1.0
132.10268	0.9
133.06535	0.9
133.10121	1.4
135.11754	1.8
136.06256	1.7
136.07568	0.9
137.05907	0.8
137.09604	1.3
139.07494	1.0
140.07166	1.7
140.08205	5.4
145.04993	2.5
145.10147	3.3
147.04416	0.9
147.11711	2.0
149.09634	2.2
151.07552	6.4
152.10727	1.5
155.08144	0.7
157.10860	7.2
158.09271	1.1
161.13242	3.6
163.11186	13.2
165.73775	0.9
167.07028	5.6
168.14992	1.9
169.13387	9.2
173.09514	1.0
175.11931	3.9
177.12825	0.9
181.12230	3.6
183.14853	1.1
189.12683	5.0
191.10696	1.1
192.11041	3.4
194.13013	1.5
196.14511	2.2
197.12860	1.4
207.13812	13.7
209.15498	1.2
211.15555	17.5
225.14828	5.4
225.16953	1.5
228.18246	2.6
231.17030	0.9
233.61865	0.8
239.15056	1.5
256.08368	1.2
256.17746	3.0
257.16061	5.3
271.17688	1.0
274.18777	8.9
288.20337	1.7
343.13394	1.4
369.18961	1.2
370.24509	4.9
372.17242	1.7
387.12393	3.0
387.16980	5.5
387.27151	91.7
388.27499	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	387.2893
Annotation	Zizanin A
Peak:m/z	Relative Intensity
53.03948	1.2
55.05503	4.0
57.07066	3.2
61.40851	1.1
67.05503	5.7
69.07061	6.3
71.08605	1.5
71.49765	2.0
74.62548	1.1
79.05481	3.5
81.07044	7.2
83.08626	3.3
91.05468	3.6
93.07037	4.4
95.08572	6.1
97.06523	1.2
105.07023	11.8
107.04955	36.6
107.08591	2.0
109.10154	3.1
117.07008	2.2
119.08556	2.7
121.06501	2.7
121.10146	2.6
123.11662	1.5
129.07011	1.2
129.51146	1.2
131.04906	1.0
131.08566	1.2
133.06488	100.0
133.10153	1.5
135.11708	1.5
137.13210	1.3
145.06468	8.7
145.10115	1.8
147.08047	31.3
147.11696	1.6
155.39308	1.1
157.06482	4.0
159.08022	5.5
161.09651	4.7
171.08046	2.5
173.09615	3.7
183.07986	1.6
187.11192	2.1
189.12721	1.8
195.15663	1.3
197.09573	1.7
199.11198	1.6
203.14359	2.3
217.15848	5.2
231.17467	2.9
235.03018	1.0
253.15906	1.1
271.16937	1.3
285.18512	3.9
289.17957	1.5
299.20123	1.9
307.27148	1.3
351.26993	2.1
369.23514	2.3
369.27875	32.3
370.28253	2.3
387.28961	31.3
388.29141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21550	0.3
51.59533	0.3
58.09538	0.3
65.03947	0.8
69.14368	0.3
69.27853	2.4
70.06590	0.4
79.05498	2.6
85.50877	0.2
89.03950	0.4
91.05502	0.4
92.05002	1.8
104.04988	2.5
106.06561	10.9
107.04959	5.2
116.05004	1.5
117.05804	0.8
119.03682	0.4
120.04462	0.5
131.03658	0.5
133.05246	1.1
134.06024	24.4
144.05591	2.6
147.03130	0.3
162.05508	100.0
163.05861	1.3
180.01921	0.3
194.08136	49.1
195.08488	1.0
203.08138	0.4
304.28308	0.3
312.08636	0.3
356.07956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.4
61.02925	7.5
69.03427	31.5
70.06587	17.0
71.04951	6.0
71.05949	19.2
73.02914	5.9
76.94530	6.2
81.03403	19.7
84.08130	6.0
85.02908	100.0
86.09701	13.3
87.00833	43.7
96.82072	7.4
97.02896	26.7
99.04457	19.9
105.01881	64.2
105.07037	68.1
108.04473	7.4
109.02885	25.7
114.78629	5.8
122.09673	26.6
127.03922	69.1
130.08493	6.4
145.04932	28.4
150.09090	11.4
159.02922	18.3
198.14940	12.6
226.14378	38.9
231.04979	24.4
249.06210	8.0
329.44672	6.2
389.13434	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.5
56.19586	4.2
61.02924	7.0
69.03428	28.4
70.06590	5.4
70.77582	8.7
81.03436	23.7
82.65076	3.8
85.02908	100.0
87.00828	44.0
97.02924	31.8
99.04447	11.2
105.01870	62.9
105.07045	56.0
109.02877	30.8
122.09677	8.3
127.03919	69.1
129.01813	6.4
145.04953	36.5
159.02914	18.1
180.45175	5.4
213.04025	5.8
226.14415	16.7
228.69406	4.2
231.05014	20.8
248.07542	4.4
277.63495	4.5
290.89206	4.4
335.28400	5.2
374.68332	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01844	2.8
55.05502	2.6
57.03430	5.1
67.05495	4.5
69.03097	3.4
69.03434	43.1
69.07050	2.5
70.06590	10.9
70.76923	5.1
71.04986	6.4
73.40930	2.3
79.05490	5.3
81.03432	18.6
81.07044	3.6
85.02439	4.0
85.02909	43.6
86.09683	2.5
87.00834	24.3
91.05479	14.0
93.07058	4.6
95.08603	3.2
97.02306	3.5
97.02895	55.6
99.04461	20.9
101.02397	2.3
105.01858	21.5
105.07038	46.4
107.04976	2.8
107.08572	7.5
109.02859	6.9
114.49772	2.3
116.06254	2.4
117.07047	4.6
119.08585	27.1
121.10148	4.1
127.03926	83.9
129.07001	7.5
130.35684	2.3
131.08556	27.2
133.10101	6.2
135.08128	2.2
137.05907	2.2
143.08592	16.0
144.09325	3.2
145.04953	51.9
145.10117	12.8
147.11679	21.4
149.09578	2.9
155.05916	2.2
158.10909	18.3
173.13271	100.0
180.76196	2.1
191.14301	36.0
204.06587	4.5
208.14130	3.0
231.04991	32.0
231.10150	3.0
249.06076	17.6
295.57718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.05507	3.1
57.03448	1.7
61.02920	2.0
69.03423	5.3
69.07053	3.6
69.47635	8.6
70.06585	5.9
71.05000	1.6
72.08162	7.0
73.08472	1.7
78.82774	1.2
79.05486	5.4
81.03429	2.5
81.07045	5.9
81.85912	1.4
83.04965	2.3
84.08140	5.5
85.02900	11.0
85.06556	2.8
86.09711	7.7
91.05486	7.7
93.07044	7.7
95.08617	3.8
97.02917	3.7
97.06544	4.1
99.08160	1.7
105.07030	17.6
107.04941	6.2
107.08594	23.8
109.06517	5.2
109.10188	3.4
110.07162	2.6
119.08597	3.9
121.10149	9.5
123.08105	2.6
124.07553	3.4
127.03907	2.1
127.40157	1.5
129.06999	2.2
129.10289	3.3
131.08607	11.4
133.10138	100.0
135.08078	3.2
135.11673	2.3
137.09607	14.9
143.08527	2.3
145.04959	2.6
145.10123	5.3
146.36845	1.4
147.11713	6.6
149.09554	2.1
149.13268	8.1
151.11163	2.0
158.10927	2.9
163.14816	1.9
169.69508	1.4
173.13268	25.9
175.14787	1.7
191.14313	38.4
209.15393	6.0
226.08640	12.1
241.19745	1.3
245.66676	1.3
388.13675	1.5
388.23538	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.05507	3.1
57.03448	1.7
61.02920	2.0
69.03423	5.3
69.07053	3.6
69.47635	8.6
70.06585	5.9
71.05000	1.6
72.08162	7.0
73.08472	1.7
78.82774	1.2
79.05486	5.4
81.03429	2.5
81.07045	5.9
81.85912	1.4
83.04965	2.3
84.08140	5.5
85.02900	11.0
85.06556	2.8
86.09711	7.7
91.05486	7.7
93.07044	7.7
95.08617	3.8
97.02917	3.7
97.06544	4.1
99.08160	1.7
105.07030	17.6
107.04941	6.2
107.08594	23.8
109.06517	5.2
109.10188	3.4
110.07162	2.6
119.08597	3.9
121.10149	9.5
123.08105	2.6
124.07553	3.4
127.03907	2.1
127.40157	1.5
129.06999	2.2
129.10289	3.3
131.08607	11.4
133.10138	100.0
135.08078	3.2
135.11673	2.3
137.09607	14.9
143.08527	2.3
145.04959	2.6
145.10123	5.3
146.36845	1.4
147.11713	6.6
149.09554	2.1
149.13268	8.1
151.11163	2.0
158.10927	2.9
163.14816	1.9
169.69508	1.4
173.13268	25.9
175.14787	1.7
191.14313	38.4
209.15393	6.0
226.08640	12.1
241.19745	1.3
245.66676	1.3
388.13675	1.5
388.23538	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.63669	3.7
67.05499	5.8
69.03439	47.4
69.07068	8.7
69.25172	38.9
70.06597	7.3
72.80286	4.2
77.40014	4.6
79.05509	6.1
81.07053	7.8
83.04958	6.6
85.02910	13.4
85.06524	6.5
91.05466	6.8
95.08597	12.1
105.07028	7.7
107.04970	10.6
107.08607	16.1
109.06499	7.2
111.08115	5.8
119.08561	4.5
121.10146	14.5
123.11677	7.4
125.09609	27.8
131.08586	4.7
133.10149	5.9
135.08049	9.6
137.05952	4.6
149.09607	7.1
153.09123	9.4
155.87212	4.4
163.14806	8.2
171.77719	4.2
173.13290	23.1
191.14313	70.7
209.15388	100.0
224.70518	4.8
388.20413	8.2
411.81976	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	389.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89876	2.5
50.96179	2.9
52.88214	2.3
53.43827	2.3
56.05034	6.3
56.96574	2.7
69.03430	7.1
70.06589	11.4
71.47636	4.5
72.08160	12.8
74.57967	2.3
83.06112	12.3
84.04511	100.0
84.08150	29.9
85.02913	11.8
86.09711	46.3
92.09828	2.4
97.02923	4.6
101.07161	6.1
102.05542	20.2
107.04967	10.2
116.07121	5.2
127.03905	2.7
129.06621	43.7
129.10240	14.6
130.04971	3.8
130.08681	2.9
132.10211	16.1
136.99808	2.8
147.07663	8.4
185.51715	2.6
195.07658	7.6
197.12895	12.3
212.10342	11.1
221.64888	2.9
223.07043	3.8
232.57262	2.6
240.09789	34.0
242.15160	6.3
243.08095	7.0
243.13477	7.5
258.11017	8.1
345.09528	6.9
354.16769	6.2
371.19238	3.6
389.08353	62.7
389.12823	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	389.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	8.0
56.96566	3.0
60.27885	2.2
61.64087	2.1
69.03420	2.7
69.07059	2.9
69.33612	8.9
69.34041	12.1
70.06592	7.1
71.54089	2.2
72.08154	11.2
76.01823	2.2
83.06098	12.5
84.04512	100.0
84.08157	24.9
85.02902	10.1
86.09711	41.5
98.97601	5.1
101.07142	4.9
102.05557	20.7
103.66751	2.2
107.04942	12.8
126.07009	2.7
129.06616	40.8
129.10249	10.7
130.04999	5.4
130.08681	2.3
132.10219	20.8
136.94807	2.3
147.07646	8.5
147.11324	2.4
148.06012	3.5
175.11826	3.0
195.07614	4.2
196.14519	2.7
197.12842	8.5
212.10323	10.7
240.09805	27.8
242.15115	4.1
243.07980	6.7
243.13292	8.5
247.12880	2.7
258.10812	3.8
308.16046	2.9
326.15436	2.6
338.92648	3.6
345.09262	4.5
354.16797	6.0
371.19104	5.1
389.08340	45.7
389.12830	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	389.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
57.69650	1.5
58.43874	1.5
58.64833	1.5
67.05495	1.8
79.05508	1.9
91.05478	3.1
93.07067	2.3
95.04993	1.8
95.08614	2.9
107.04964	4.5
108.04517	2.1
108.08089	2.5
116.04971	7.5
119.08524	1.6
122.06013	2.1
136.07590	2.4
137.05945	2.4
138.09155	2.4
144.04471	15.8
146.06010	2.0
146.37314	1.4
150.30486	1.4
151.03903	3.0
153.86476	1.5
160.38287	1.5
162.05547	4.4
166.08607	4.7
172.03955	62.4
181.07675	2.0
185.07019	2.4
185.10751	2.9
195.09225	2.4
198.07849	3.5
199.08723	13.2
202.33482	1.8
204.06575	100.0
209.08206	2.2
210.09126	1.8
211.08736	1.9
212.09444	6.3
213.06622	5.8
213.10197	14.1
215.08226	2.2
222.07686	2.3
225.10199	2.7
226.07581	1.7
227.08179	21.9
227.11635	8.9
228.08870	3.6
229.09770	4.4
237.10297	3.9
239.11888	3.0
240.08960	5.8
241.06120	7.1
241.09729	31.8
245.12910	9.7
255.07742	5.5
255.11310	38.6
257.09232	5.8
259.10870	2.2
265.09644	2.7
267.11276	2.8
269.09268	10.0
269.83536	1.6
273.12381	6.5
283.10788	43.1
295.10788	5.4
297.08694	2.3
299.10022	1.8
301.08392	2.9
301.11789	4.4
311.10248	24.1
313.11902	8.4
329.11328	98.7
339.09760	6.5
357.10776	58.9
357.14603	13.0
359.04575	1.8
371.11597	2.2
389.13461	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	389.1596
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03941	2.4
54.43316	0.7
55.01875	40.4
55.21683	0.8
57.03422	1.0
59.06593	0.8
63.89154	0.8
65.03941	8.9
67.05502	5.4
68.99792	1.0
69.03432	1.8
70.31049	2.7
71.04976	1.0
77.03940	1.0
78.04720	1.1
79.05499	5.6
81.03409	1.4
81.07059	2.1
82.04192	2.8
85.02898	6.9
85.30017	0.9
91.05476	3.3
93.03395	3.2
93.07045	2.4
94.04183	2.1
95.04952	5.1
97.02895	1.3
97.06554	2.4
103.05467	15.8
105.07024	2.7
106.06570	0.9
107.04961	14.7
107.08604	1.1
108.02113	1.4
108.05276	1.0
109.06578	1.0
110.03664	6.6
111.04415	1.2
115.05474	2.7
117.03352	0.9
117.07018	3.3
119.08628	0.9
121.06527	6.3
121.10166	1.0
122.03644	3.4
123.00777	1.1
123.04436	4.9
124.05222	2.1
125.05989	4.0
128.06241	2.9
129.07010	9.3
131.04933	22.3
131.08601	1.0
133.06461	2.0
135.08073	1.4
137.05981	34.2
138.03166	2.5
141.07011	1.0
142.02617	3.5
143.04988	1.0
145.06502	5.2
149.05971	12.8
151.07561	1.4
153.05457	6.0
155.07047	1.9
157.06493	9.7
159.04448	3.1
160.05219	3.4
161.06010	2.6
162.06720	1.1
163.07552	10.1
167.07043	24.7
167.08444	1.3
171.06566	4.3
173.05908	1.7
174.06793	4.1
175.07562	14.4
177.05478	36.7
177.08986	1.0
179.07025	1.0
181.04958	100.0
182.05344	1.2
183.06541	2.0
185.05998	1.3
187.07567	3.8
188.08307	1.8
189.05406	1.1
189.07266	1.3
189.09082	8.1
191.07030	2.3
195.57243	1.0
199.07507	1.5
201.09032	1.0
205.08710	2.6
206.07394	0.9
209.08092	58.5
210.08432	0.9
217.08575	8.1
218.07272	1.3
219.08075	2.2
219.10162	2.6
221.08133	2.5
228.10077	1.2
231.08199	1.3
233.09665	1.2
234.06796	2.4
235.07472	1.8
235.09723	2.3
247.07684	1.7
249.09149	3.9
257.11856	1.3
261.09131	2.9
265.08688	1.1
277.08603	7.9
278.09293	1.7
279.10052	1.0
281.11850	1.5
283.10181	1.2
289.08459	1.5
293.08603	1.2
293.11880	2.6
307.09641	1.3
309.11194	4.6
311.12802	1.8
321.11349	2.0
325.10956	1.1
329.14032	1.5
339.12454	7.7
341.13913	3.1
351.84167	0.9
353.13943	2.0
359.14862	2.5
371.15005	8.9
389.15976	41.6
390.16089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03946	3.4
55.01878	43.4
55.05514	2.8
65.03959	9.4
67.05500	5.5
69.03439	3.0
69.07085	2.5
71.48043	2.7
71.71508	1.3
72.79816	1.3
78.04725	1.5
79.05498	8.9
80.27907	1.5
80.97091	1.4
81.03426	4.4
81.07063	5.4
82.04198	4.4
83.04974	2.4
85.02890	8.4
91.05487	7.5
93.03422	3.0
93.07052	5.2
94.04210	1.5
95.04974	6.6
95.08601	3.1
97.06552	2.1
99.08134	1.6
103.05483	18.3
105.07040	5.5
107.04973	18.0
107.08614	1.8
108.02083	2.9
109.10117	2.0
110.03676	5.5
111.04466	3.6
115.05478	3.1
117.07020	3.4
119.08606	3.0
121.06511	6.5
122.03637	4.5
123.04411	8.8
125.05960	2.5
126.80021	1.5
128.06201	2.7
129.07010	11.4
131.04941	23.6
133.06467	2.0
133.10164	2.5
135.04399	2.9
135.08128	2.1
137.05980	37.3
138.03133	1.9
142.02612	4.3
145.06502	6.3
147.07997	1.7
147.11649	2.2
149.05978	14.7
149.09642	2.3
151.03954	2.3
153.05453	4.1
155.07043	2.1
157.06522	11.1
159.04430	1.9
159.11745	1.7
160.05237	3.4
161.05991	6.4
163.07582	9.2
167.07051	25.1
171.06544	4.2
174.06741	3.3
175.07545	16.5
177.05493	42.0
181.04971	100.0
182.05389	2.2
183.06563	2.8
186.24069	1.6
187.07564	4.1
189.07591	1.4
189.09094	10.1
191.07047	2.6
199.07483	2.2
205.08630	1.9
209.08110	60.8
217.08626	6.7
219.08163	2.9
221.08020	2.0
227.18486	3.0
228.10260	1.9
232.92993	1.8
233.09738	2.1
235.07593	2.2
235.09756	4.3
249.09134	5.4
261.09219	2.2
277.08566	8.6
278.09341	2.3
280.40356	1.8
293.11652	3.1
305.47180	1.6
306.08798	1.7
309.11255	3.5
321.11234	2.8
339.12158	7.7
341.14102	4.0
347.19507	1.5
359.14890	3.2
371.14941	9.3
389.15988	43.3
389.20795	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	389.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17793	4.0
53.03925	5.0
55.01872	45.8
55.05510	11.4
57.03419	4.2
58.56176	4.2
65.03939	8.9
67.05507	7.3
69.03435	8.3
70.06590	15.2
71.06925	4.8
79.05502	11.7
81.03406	7.8
81.07051	7.6
83.04996	4.4
83.08608	10.0
85.02895	15.1
86.09694	5.8
91.05488	9.9
93.03443	5.3
93.07047	8.3
95.04976	22.0
97.06519	5.6
99.04463	4.3
103.05493	28.8
105.07038	11.5
107.04944	27.0
107.08576	6.5
109.06519	5.0
109.10119	6.0
110.03699	6.4
111.04461	4.6
115.05434	4.6
117.07053	6.7
120.11713	3.6
121.02946	5.3
121.06493	10.4
121.10105	6.6
122.03635	4.9
123.04425	11.8
123.11681	6.1
125.05997	7.6
128.06216	7.2
129.07019	22.1
131.04930	34.0
131.08589	14.9
137.05974	67.7
139.03885	6.7
141.06981	9.7
145.06490	10.4
145.10168	6.1
149.05998	19.1
151.07570	8.2
151.11197	8.2
153.05420	4.4
157.06516	21.1
158.07253	4.7
159.04518	4.2
159.08069	10.0
160.05226	6.7
161.06000	5.1
163.07553	18.6
165.06956	4.3
167.07047	37.1
167.14351	6.4
171.06607	4.7
174.06818	20.8
175.07520	21.3
177.05478	46.0
181.04958	100.0
183.06558	14.2
187.07585	11.3
188.03497	9.3
189.09103	46.1
191.10635	4.9
199.08711	4.5
201.09125	11.8
203.08609	4.2
205.06534	5.5
206.07202	4.5
207.07941	4.5
209.08092	72.0
209.15370	23.2
213.10185	7.0
215.08444	5.2
217.06488	5.1
217.08569	10.5
219.08165	7.4
219.10159	78.1
221.07948	5.9
227.08188	9.0
233.09473	4.6
234.06903	7.0
235.07538	5.3
241.06171	5.2
241.09740	18.9
245.12856	7.4
247.07516	5.9
248.08548	4.6
249.09161	12.4
255.11273	11.5
257.09546	4.8
261.09097	12.0
277.08627	27.1
278.09402	5.3
279.10147	7.3
283.10748	14.7
293.11887	6.0
309.11160	11.7
311.09961	7.9
311.13101	5.2
312.84058	4.3
313.11722	4.9
321.11331	6.2
329.11359	39.0
339.12576	35.8
357.10806	31.0
359.15240	4.8
371.15060	32.3
387.88684	5.8
389.16327	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01878	5.9
55.05468	1.1
63.83382	1.2
65.03915	1.2
67.05497	3.4
69.03419	2.3
69.07059	2.2
70.06573	2.6
70.77253	2.0
70.77600	2.6
71.04993	1.2
73.02892	1.7
79.05473	3.9
80.07245	1.3
81.03378	2.5
81.07047	4.8
83.04968	2.0
84.08133	1.6
85.02901	3.5
86.09690	2.9
91.05470	6.2
93.07041	4.0
95.04948	4.4
95.08597	3.4
97.06502	3.2
103.05457	3.9
105.06996	1.8
107.04982	9.2
107.08569	2.6
108.05181	1.2
108.08115	1.9
109.10168	1.6
111.08062	2.8
115.05461	1.5
117.07050	1.9
119.08574	1.5
121.06452	1.6
121.10089	1.3
122.06035	3.5
123.04391	2.0
124.07602	11.9
129.06993	2.1
131.04919	4.7
131.08536	2.8
133.10100	2.1
136.07579	100.0
137.06004	8.4
137.07942	1.8
145.06467	1.7
149.05960	2.2
151.03934	1.4
152.07057	25.7
161.04501	2.3
161.05974	2.8
163.07573	2.5
164.07066	88.7
167.06985	4.2
167.08365	1.6
170.08130	3.6
175.07529	2.9
177.05467	6.1
181.04953	15.5
182.08133	14.1
187.07481	1.7
189.09070	2.2
189.43773	1.5
191.06946	1.3
209.08052	8.1
211.13315	1.6
217.12015	1.3
219.10144	4.6
227.08200	1.4
228.10181	4.5
241.09703	1.8
255.11220	4.7
261.09067	2.0
277.08524	2.3
277.95865	1.5
283.10776	3.7
287.10910	2.2
287.13895	14.5
305.14960	4.9
308.96884	1.5
311.09970	1.7
329.11221	7.2
339.12494	1.7
357.10635	5.3
371.14948	2.1
389.15820	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.47001	5.7
55.80910	6.2
62.66296	5.7
66.62154	6.1
69.03426	10.9
70.60504	10.6
70.60905	11.5
73.74645	5.5
76.38375	5.9
83.04969	8.5
83.08601	7.4
84.87905	6.1
90.07955	6.3
90.42441	5.2
91.05498	6.8
95.08630	8.9
99.08143	6.4
107.08578	13.6
107.39114	6.2
109.06502	8.5
111.08071	10.7
112.17397	5.5
121.10136	14.0
125.09629	45.4
135.08102	8.0
149.09634	64.2
149.13278	7.4
151.11162	9.8
153.09088	12.5
163.14819	7.1
177.05452	6.4
191.14326	27.8
209.15379	100.0
258.49664	5.6
356.42383	6.4
376.30948	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05528	7.3
69.03433	6.9
69.07063	7.1
70.06577	14.1
72.08154	7.5
81.03429	6.1
81.07034	7.9
83.01304	5.2
85.02900	15.9
85.97121	5.2
86.09721	15.5
91.05466	5.5
93.07055	8.4
95.08575	9.5
97.06529	4.9
99.08103	14.8
107.08603	12.6
109.10138	7.3
116.47953	4.7
120.08150	5.3
121.10155	18.7
122.85571	5.1
123.08044	9.2
125.09615	6.6
130.47910	5.0
133.10110	12.3
137.06081	5.3
139.07523	8.6
139.82841	4.7
149.09644	18.5
149.13086	6.2
151.11153	10.5
163.14836	9.3
173.13107	11.4
191.14345	14.9
203.20477	5.9
205.80475	5.8
209.15372	100.0
227.16525	12.7
376.62927	4.9
389.18182	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	389.217
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01871	34.1
63.17793	12.8
69.94450	53.4
69.94872	25.1
71.04983	22.4
73.02910	13.0
79.05501	17.7
81.07066	15.6
85.02901	31.2
86.09719	13.5
89.32779	12.2
93.07039	13.5
95.04977	23.4
97.06521	27.2
99.04415	12.5
103.05513	14.7
105.07040	32.1
105.57220	12.1
107.04963	34.1
107.08646	15.9
109.06514	36.0
109.10192	14.4
114.30721	10.7
119.08598	16.5
121.10134	22.5
123.72301	11.5
127.03919	15.5
131.08540	13.5
131.68544	14.1
133.10132	50.9
136.10167	13.2
137.06038	28.0
143.26189	12.1
147.11726	37.4
167.07033	26.0
172.03943	32.4
173.13240	35.0
175.07614	15.4
177.05461	31.4
181.04968	75.5
191.14359	37.8
204.06645	59.4
209.08160	41.8
209.15396	57.3
227.16414	60.8
228.10233	100.0
239.71130	13.1
241.09605	24.8
255.11301	29.0
278.91098	13.7
283.10693	26.8
301.11862	15.6
311.10150	14.0
329.11343	80.3
339.00034	13.4
357.10745	39.7
389.13199	17.0
389.16464	22.3
404.64832	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	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.4
55.05515	11.8
57.03432	13.0
57.67677	6.2
67.05507	13.4
69.03435	15.5
69.07055	18.0
70.06599	7.7
71.03448	16.1
71.04580	6.8
71.04996	11.7
79.05495	9.7
81.03426	15.7
81.07056	28.2
82.15918	6.5
83.04990	14.0
83.08620	11.3
84.08120	13.6
85.02917	46.7
86.09713	78.1
91.05481	19.7
93.07041	19.3
95.04968	83.0
95.08601	16.7
97.02882	17.3
97.06532	37.5
99.04469	20.0
105.07020	26.5
107.04976	34.9
107.08587	30.5
109.06514	34.6
109.10141	39.2
111.08099	7.3
119.04928	8.7
119.08640	8.1
121.10127	26.3
123.08090	11.6
125.05981	8.4
127.03938	7.0
129.07034	8.0
131.04854	7.5
131.08597	11.0
133.05011	8.3
133.10136	30.2
135.08093	17.5
136.07632	8.3
137.05983	50.1
145.05042	6.7
146.06050	42.4
147.11661	28.7
151.07497	6.7
151.11147	7.8
153.09116	28.8
157.10129	8.6
157.13383	37.2
159.09219	11.8
161.05969	10.7
164.07024	16.2
167.07072	11.5
171.10190	19.2
173.13237	9.7
175.11252	8.6
177.05489	9.2
179.06993	13.3
181.04932	17.3
185.12843	10.9
187.07602	8.2
188.07100	63.8
189.09097	8.4
191.14328	15.8
199.08742	16.2
205.09840	35.0
209.15392	59.6
213.10333	10.1
219.13861	7.4
227.08141	7.4
227.11736	7.7
227.16425	50.5
228.10260	21.8
233.05664	8.1
241.05927	9.9
241.09706	34.1
253.09381	7.9
255.11377	27.8
257.09076	8.5
269.09314	21.3
279.15878	29.5
283.10739	34.2
293.09259	7.8
297.08838	11.8
301.12048	16.2
309.87094	8.0
311.10162	18.5
329.11404	100.0
339.09991	12.6
357.10837	52.3
389.13480	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
61.01284	0.5
67.05495	0.9
71.48101	0.5
74.25037	0.4
79.05476	0.8
81.07053	1.3
91.05487	1.1
93.07023	0.8
105.07015	1.5
107.04904	0.5
117.06946	0.5
119.08585	1.4
131.08545	1.0
133.10109	0.5
135.94286	0.4
145.10103	0.7
159.11723	0.5
165.24918	0.4
216.61771	0.4
219.29282	0.5
237.09038	0.5
247.17014	0.5
353.24667	0.5
374.11368	0.8
389.22955	100.0
390.23236	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	390.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.74855	0.3
55.01859	0.5
55.05500	0.7
55.35957	0.3
56.05022	1.0
56.96574	2.1
57.03432	0.5
60.04512	0.9
60.05649	0.3
61.02923	0.5
69.03437	2.1
69.07060	0.7
69.53080	1.7
70.06593	2.6
70.98126	0.4
71.06884	0.3
72.08160	5.0
73.02903	0.4
74.02420	0.3
74.06067	0.5
74.97587	0.3
76.02233	0.3
79.05491	1.1
81.03416	0.6
83.06107	0.6
84.04523	2.9
84.07639	0.4
84.08149	8.7
84.96036	0.5
85.02909	3.6
85.08463	2.6
86.09708	10.0
87.04456	0.3
87.05585	0.5
87.10037	0.5
88.03992	0.4
89.30653	0.3
95.04974	0.6
97.02906	2.2
98.97581	3.7
99.05602	0.3
101.00919	0.4
101.07156	0.4
102.05563	1.2
104.08338	0.3
105.04540	0.4
107.04961	100.0
108.04630	0.2
108.05263	1.5
108.08141	0.3
109.02890	0.6
109.08524	0.2
110.07154	2.6
110.97587	0.8
112.05099	0.5
112.07597	0.4
112.08759	0.4
112.99129	0.3
116.07127	0.3
116.98634	0.9
119.01904	1.0
119.03519	0.3
119.04962	0.4
122.02742	3.6
122.64962	0.2
123.04445	3.7
124.05009	0.3
124.07613	0.6
127.03930	0.9
127.05032	0.5
128.98625	1.0
129.06607	0.6
129.10229	3.6
130.05002	0.4
130.08643	0.5
130.10622	1.3
131.01981	0.3
131.08150	0.4
132.10214	1.2
133.06084	1.8
136.06198	5.9
136.07564	0.8
143.00186	0.4
143.01935	0.6
145.03456	0.4
145.04996	0.6
146.99670	0.5
147.03197	0.4
147.04330	0.4
147.07692	0.3
148.07599	0.3
152.05692	3.5
158.99643	1.1
159.07715	0.5
161.01454	0.3
161.02995	1.1
164.07104	0.3
167.06996	1.2
167.11746	0.3
168.03369	0.3
172.07225	0.6
172.97650	0.3
173.01248	0.3
173.02937	0.3
177.00781	0.6
182.08150	0.4
186.04353	0.5
187.39130	0.3
192.06638	0.3
197.12859	0.4
203.04012	0.3
204.05615	0.4
210.07635	0.5
210.11276	0.3
212.10266	0.3
213.12407	0.3
215.14032	0.4
216.00653	0.3
219.01753	1.3
220.05995	0.6
220.09300	0.5
221.05022	0.5
228.07115	1.4
228.08858	0.4
228.12370	0.4
237.02930	1.3
240.13579	1.0
241.02361	0.3
241.08377	0.3
241.13803	0.5
243.05199	0.9
243.07939	0.5
243.13373	0.5
244.08368	0.5
246.14503	0.3
248.99330	0.3
258.09973	0.3
258.14557	0.5
268.10480	1.1
285.13440	0.4
287.05692	0.4
309.04898	0.3
309.09314	0.4
327.15576	0.3
330.08911	0.3
349.07816	0.4
361.02231	0.4
380.49188	0.3
390.13489	1.0
390.19913	0.4
390.24762	2.1
391.10074	0.8
395.06674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37561	0.2
69.13702	0.3
70.06587	0.2
70.65211	0.4
70.65583	0.5
70.85838	0.2
84.04508	1.1
85.02917	0.4
86.09702	1.1
97.02899	0.2
102.05567	0.3
107.04229	0.5
107.04959	10.3
109.05135	0.4
110.03551	1.6
124.07581	1.8
128.04610	0.3
135.03021	4.1
142.08618	0.3
152.05679	100.0
153.04085	3.1
153.05997	0.7
178.20335	0.3
258.09882	12.6
284.09940	1.8
390.13577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
51.84769	0.4
53.03937	1.1
55.01862	0.6
55.05500	0.7
56.05040	0.7
57.03431	0.7
61.02898	0.5
67.05515	0.7
68.05014	0.6
69.03422	3.0
70.06577	1.7
70.82751	0.6
70.83089	0.8
72.08138	0.6
73.02894	0.7
79.05498	7.4
80.05011	0.9
81.03425	3.0
81.05802	4.3
81.07059	9.5
82.02939	1.0
83.04982	0.4
84.04504	1.5
84.08120	0.9
85.02908	5.0
86.06065	0.8
86.09707	2.3
87.00827	1.6
94.06544	1.3
95.04951	0.4
96.04504	2.8
96.08128	12.9
97.02881	1.6
99.04467	1.2
102.05517	0.8
105.01865	0.7
106.06543	1.1
106.08522	0.4
107.04960	7.3
107.05642	0.8
109.02899	2.0
109.05241	0.8
112.07613	2.4
119.25815	0.4
122.06013	0.8
124.07592	100.0
125.07925	1.1
127.03928	3.6
129.10249	0.5
132.10194	0.7
135.03023	0.5
142.08638	48.1
145.04984	0.7
152.05675	9.4
154.08463	0.4
159.02907	0.9
166.08626	0.8
174.09239	0.7
184.09764	0.7
191.08603	0.4
192.10286	1.0
206.34270	0.5
208.09612	0.5
210.11302	1.7
227.16551	0.5
228.12437	1.0
228.16818	1.3
231.05135	0.6
231.09749	0.6
235.39743	0.4
258.09967	1.2
304.13956	0.7
356.53513	0.5
390.13925	2.4
390.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05505	1.0
56.05037	0.3
57.03440	0.4
61.02932	0.3
67.05511	0.3
68.05016	0.5
68.37255	0.2
69.03419	0.9
69.07069	0.8
69.87310	1.3
70.06590	2.2
72.08137	0.6
79.05502	4.7
80.05020	1.6
81.03426	0.7
81.05807	5.1
81.07063	2.6
82.06588	0.5
84.04488	0.3
84.08147	1.0
85.02926	1.6
86.09709	1.8
87.00807	0.5
91.05513	0.5
94.06574	1.1
95.04967	0.6
96.04512	0.5
96.08138	16.4
97.02893	0.6
97.06566	0.3
98.97586	0.3
106.06553	2.7
107.04978	1.9
109.02876	0.3
110.07170	0.5
110.84714	0.3
116.07088	0.3
120.08088	1.0
122.06037	0.7
124.07600	100.0
125.05990	1.0
125.07949	1.1
127.03912	0.4
129.10265	0.6
134.10553	0.3
136.07574	0.4
142.08655	0.8
147.11754	0.3
147.38626	0.2
152.05681	1.4
161.18591	0.3
182.06317	1.3
210.05827	0.7
210.15178	0.3
218.08730	0.3
228.06946	2.2
228.10194	0.3
228.12210	0.5
228.16206	0.7
229.09804	0.4
229.15453	0.6
238.24875	0.3
257.09198	0.3
360.67822	0.2
372.52573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
52.49338	0.6
53.03936	2.5
55.01876	1.0
55.55729	0.5
55.93525	3.0
56.05042	0.8
57.03452	0.7
60.04524	1.0
64.71598	0.5
65.15513	0.6
66.68657	0.6
68.54607	0.6
69.03432	2.7
69.03784	0.5
69.07059	0.5
70.06587	5.7
71.04990	0.8
71.48384	1.2
71.92999	1.1
72.08159	1.5
72.93779	1.7
76.02242	3.9
79.05496	7.3
81.03415	2.1
81.05802	0.9
84.04501	2.1
84.08150	1.8
85.02913	7.3
86.09715	9.2
87.00809	3.1
87.10040	2.1
90.94811	1.0
95.04980	2.1
96.08130	2.1
97.02895	2.2
98.75291	0.6
99.04449	1.1
102.94817	0.8
103.05464	2.2
104.05305	1.1
105.01869	4.2
105.04499	0.9
106.06572	1.1
107.04960	100.0
108.05273	1.4
109.02882	2.4
110.07172	0.6
115.08715	1.4
116.01707	0.8
116.07106	1.1
116.96402	0.7
120.08110	10.3
121.06472	0.9
124.07596	11.2
125.02359	0.7
125.81252	0.6
127.03919	3.3
129.10258	1.0
131.04933	2.6
132.05283	1.7
137.05974	1.3
142.97925	0.9
143.03415	0.9
144.01146	0.8
144.12184	0.7
145.04976	2.2
149.06024	1.4
152.05692	0.7
159.02896	0.8
161.05969	1.0
162.02197	2.0
163.07555	1.3
164.07961	0.7
172.01845	0.6
179.04857	5.8
187.07622	0.7
189.03941	1.1
194.87956	0.5
197.05890	0.9
203.07068	0.7
208.68755	0.6
215.07097	1.9
228.10184	2.8
228.19611	1.8
231.05069	1.6
249.05991	1.2
249.12372	0.9
260.10812	0.6
284.09912	1.2
285.09052	0.6
290.11539	0.7
359.72623	0.6
390.16037	0.7
390.25043	0.8
391.19376	1.8
396.31122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01868	2.2
55.05490	1.6
55.79711	1.2
56.05022	3.6
56.96564	12.0
57.03431	5.1
60.04515	4.6
60.95853	2.7
61.02931	5.6
66.06003	1.0
67.05482	1.6
69.03436	14.7
69.07073	3.6
70.02938	1.3
70.06590	12.0
71.05006	2.0
71.48325	1.9
72.08145	8.2
73.02911	4.3
74.02451	1.2
74.06071	2.8
77.03934	1.3
79.05536	3.2
81.03410	4.9
83.06087	1.5
84.04504	25.9
84.08147	23.4
84.96014	2.9
85.02907	21.7
85.04823	2.2
85.08470	6.1
86.09711	63.2
87.04453	2.9
87.05582	2.5
87.10030	2.7
88.03996	1.6
91.05478	2.0
93.00950	1.1
95.04988	3.1
95.06090	2.5
96.04500	4.9
96.08137	1.9
97.02894	13.3
98.06095	1.3
98.97591	31.8
99.04430	2.3
99.05593	1.4
101.00871	1.2
102.05554	9.4
102.96858	9.8
107.04961	100.0
108.05318	10.1
109.02866	4.0
110.07170	9.5
110.97604	7.0
112.07611	6.6
112.08720	2.8
112.99176	1.8
114.96846	3.1
115.08675	1.6
116.98633	7.9
117.91455	1.2
119.01892	1.7
119.04947	2.1
120.08136	1.5
120.97916	2.3
122.05992	1.7
123.04436	44.4
124.04763	1.3
124.07601	4.4
127.03917	7.8
127.04842	1.5
128.98611	4.8
129.06601	3.6
129.10246	13.3
130.05002	4.3
130.08647	11.1
130.10577	3.7
131.00200	2.7
132.10239	6.8
132.97888	3.9
133.06113	6.3
136.06190	66.7
138.09036	1.2
140.98581	1.6
142.08665	2.9
143.00154	1.9
143.11812	2.4
145.04980	5.7
145.06097	1.1
146.09608	1.6
146.99571	2.3
147.03394	1.7
147.04410	7.6
147.07677	2.8
148.04881	1.3
148.06020	3.6
149.01199	1.4
150.09125	1.7
152.04428	2.4
152.05687	26.0
154.08611	1.3
155.04675	3.5
156.03320	9.1
158.99669	7.4
161.01146	2.2
162.09135	1.9
166.08597	2.0
167.06982	1.6
167.08253	1.8
168.03354	3.7
170.99680	2.5
173.01288	1.8
174.04362	6.6
174.09126	2.4
175.02811	1.5
177.00699	4.7
182.03371	1.6
184.09715	3.3
186.04372	17.2
187.02710	3.0
189.00726	2.7
189.04317	1.9
191.03813	1.5
192.10164	7.4
197.12881	3.0
199.30859	1.3
201.00694	2.7
203.04091	1.4
204.05469	9.2
210.04456	1.3
210.11232	6.7
212.07770	2.1
213.04268	1.6
213.08702	1.7
215.13947	5.8
219.01772	13.4
220.09300	1.3
221.04924	1.9
223.01019	2.8
224.01317	1.5
225.10162	1.3
228.05521	7.0
228.12341	2.7
229.03741	2.4
229.12035	1.2
233.06738	2.3
236.54941	2.2
237.02829	13.5
237.04959	2.0
240.13417	3.4
241.02095	4.7
241.08269	1.8
241.13634	2.8
242.02499	3.9
243.13344	4.1
244.05872	1.5
246.06525	4.8
246.14468	1.9
249.06390	1.5
258.07025	1.5
258.09949	4.1
258.14478	1.9
259.09235	1.8
261.02875	2.1
263.06454	1.2
268.10388	15.1
279.03958	2.2
287.05573	7.1
288.08487	1.1
291.07501	1.8
305.09109	1.1
308.56931	3.6
309.08594	5.2
310.09103	1.7
329.05243	2.7
330.01978	1.7
330.05539	5.8
330.08887	2.6
331.06851	6.8
343.01157	3.1
348.06577	1.7
349.08084	4.5
361.02374	14.0
362.02606	2.5
379.03250	2.4
390.07434	2.2
390.13507	5.8
390.20178	2.0
390.25308	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	390.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.07748	0.2
55.01861	0.8
55.05485	0.2
59.59931	0.2
61.02913	0.3
65.03942	0.2
66.98099	0.2
67.05494	0.8
68.38894	0.2
69.03412	0.7
71.48212	0.2
79.05507	0.8
81.03412	0.3
81.07053	0.7
84.17758	0.2
85.02918	0.8
86.09692	0.8
91.05478	0.7
93.07050	0.3
95.04966	0.3
97.02900	0.4
97.06517	0.2
99.04437	0.5
99.22803	0.2
105.07015	0.3
106.06540	0.7
107.04964	2.2
107.07334	0.3
108.05305	0.3
115.05440	0.3
119.76022	0.2
120.04488	0.2
120.08094	0.7
121.10038	0.2
124.07581	0.3
128.06200	0.4
129.06972	0.6
131.04944	0.6
131.08563	0.2
134.06021	0.3
137.05971	0.4
141.07047	0.4
142.07837	0.9
144.05679	0.5
145.06502	1.9
152.06235	1.4
153.06985	0.3
154.32143	0.2
155.06053	0.2
155.08537	0.7
157.06561	1.0
157.10106	0.3
158.07161	0.3
159.06863	0.3
159.08089	0.5
160.07550	0.9
162.05525	0.3
165.07040	1.7
166.07732	0.2
167.07407	0.3
167.08597	0.5
169.06465	0.2
170.06017	0.3
170.07288	1.5
171.07982	0.4
172.07584	0.2
172.11217	0.4
173.08287	0.3
173.09641	0.3
181.04961	0.2
182.09639	0.5
183.08067	1.3
184.07619	0.7
185.08261	2.3
185.09853	1.0
186.09128	0.5
196.07600	0.2
197.12827	0.2
198.05515	2.1
199.06306	0.5
200.06827	0.2
200.10701	2.9
210.09152	0.6
212.07036	0.7
213.07886	1.9
226.08707	0.2
228.10208	100.0
229.10567	2.0
242.10056	0.5
256.11612	0.5
284.11023	0.7
311.10117	0.2
312.10602	0.4
330.11771	1.3
358.11130	1.1
390.14481	0.4
390.21448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
53.51492	0.2
58.65541	0.2
59.65926	0.2
65.25679	0.2
67.05486	0.7
69.03420	0.5
69.80847	0.5
69.81264	0.6
70.06555	0.3
79.05476	0.9
81.03417	0.3
81.07053	0.6
85.02897	0.5
91.05476	0.7
93.07040	0.2
95.04951	0.2
99.80980	0.2
105.06984	0.2
106.06568	1.1
107.04951	4.1
107.07306	0.3
115.05463	0.2
117.07017	0.3
119.04877	0.2
119.07257	0.2
120.04466	0.6
120.08047	0.2
124.07632	0.3
125.52812	0.3
128.06215	0.3
129.06999	0.7
131.04903	0.5
131.08607	0.3
134.05983	0.3
141.06947	0.3
142.07773	0.8
143.08539	0.3
144.05678	0.5
145.06508	1.7
152.06229	1.0
153.07031	0.3
155.08498	0.5
157.06502	1.2
158.07205	0.2
159.08058	0.6
160.07550	0.8
165.06984	2.0
166.07626	0.2
167.07211	0.3
167.08531	0.4
169.06479	0.3
170.06009	0.4
170.07227	1.3
171.08043	0.5
172.07568	0.4
173.08372	0.4
183.08070	1.5
184.07620	0.7
185.08246	1.9
185.09663	0.8
186.09074	0.5
198.05489	1.6
200.10693	3.1
210.04340	0.2
210.09200	0.8
211.07860	0.2
212.07083	0.7
213.07874	2.0
228.10193	100.0
229.10536	2.6
296.11362	0.5
390.14966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	10.6
67.69379	7.2
69.39971	61.9
69.40310	10.1
70.06578	9.8
81.03453	7.7
81.07046	13.5
91.05475	14.8
93.07066	8.2
95.08611	15.0
105.07018	15.8
107.04940	26.3
107.08580	11.6
114.37215	7.6
117.07024	11.5
119.08596	58.3
120.08105	11.1
121.10197	7.2
124.07566	8.8
130.08623	11.6
131.04874	7.2
131.08566	7.6
133.10182	9.0
164.07085	7.6
170.06992	8.0
175.14833	25.6
228.10239	100.0
228.15868	12.2
251.12813	12.6
366.18204	8.2
390.20898	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	391.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
58.99583	8.0
59.60959	0.7
70.06573	1.7
70.92829	1.5
72.08132	0.7
76.02231	45.0
76.03996	2.0
79.05483	1.4
83.06121	0.7
84.00387	0.6
84.04518	1.0
86.09699	1.0
86.99056	2.3
88.02203	1.2
95.04948	0.8
102.86449	0.6
104.05366	0.9
107.04959	100.0
108.05305	1.9
116.01687	12.1
116.07127	0.8
120.08114	1.8
144.01161	9.6
162.02209	35.9
163.02359	0.6
179.04861	87.7
180.05197	1.0
268.06381	1.6
274.22659	0.7
285.09055	7.1
380.99268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03487	0.7
54.23181	0.6
55.05508	0.9
56.05037	3.4
58.06599	0.8
60.04539	0.7
61.01151	24.2
67.05522	0.8
69.03439	1.9
69.07071	1.2
70.06594	100.0
70.41598	0.6
70.87685	1.2
71.04987	0.7
71.06916	1.4
71.08648	1.2
72.07766	0.8
72.08160	11.2
74.06073	1.5
75.62192	0.6
79.05497	0.9
83.04982	0.8
83.06110	7.8
83.06558	0.9
83.82331	0.7
84.04504	13.9
84.08147	10.7
85.02905	2.0
86.09714	11.3
87.10028	0.8
91.05489	0.7
95.04980	2.1
96.04515	0.7
96.08128	0.9
97.02936	1.2
98.97601	1.4
101.07133	4.0
104.05325	3.1
105.07040	1.0
107.04958	2.6
108.05270	0.8
109.02872	0.6
110.07169	2.2
112.07639	1.0
114.05550	0.8
115.08729	1.0
116.07108	3.0
118.06882	88.3
118.08608	4.6
120.08112	13.9
124.07613	4.5
125.07961	3.3
127.08636	1.2
128.71613	0.7
129.06586	2.3
129.10234	8.8
130.06499	2.7
132.08064	1.8
136.07574	1.5
137.05974	1.8
138.09138	1.3
140.03249	0.7
144.08118	0.9
149.02350	8.1
152.05644	2.1
157.06058	0.9
159.07991	0.6
159.09184	4.1
163.08990	6.2
165.09015	0.7
165.10289	1.2
170.06000	3.6
173.09404	0.8
182.12827	2.4
183.11301	8.2
185.12906	1.4
203.08496	0.8
207.07971	2.2
228.13477	19.0
229.11850	9.0
246.12593	5.0
246.14822	9.5
258.15921	1.4
259.10611	0.8
263.44492	0.7
274.12231	18.7
276.13358	1.3
276.16858	1.1
285.08661	0.8
286.15283	0.7
307.60529	0.7
347.00970	0.7
347.85358	0.8
374.17542	3.1
391.10571	1.1
391.19946	16.9
392.19992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	18.8
56.96560	1.7
57.03442	1.9
57.07064	1.6
58.06599	7.2
60.04514	3.3
62.19192	0.9
68.05042	0.8
69.03419	3.3
69.07047	1.3
70.06584	6.5
71.08621	3.0
71.48441	1.8
72.08162	4.7
74.06081	74.9
79.05489	1.2
81.03416	1.9
81.07053	2.0
83.06097	1.8
84.04507	18.5
84.08141	6.2
85.02900	6.9
86.06051	3.1
86.09708	72.1
87.05582	2.6
88.03955	0.9
91.03923	1.0
94.62663	0.9
95.04995	1.0
96.04493	1.5
97.02895	3.0
98.09702	2.9
98.97606	5.7
100.07584	1.8
101.07146	26.3
101.81909	0.9
102.05560	4.3
107.04961	29.0
109.02848	1.1
110.07158	1.6
110.97580	2.2
113.07132	2.4
116.07094	1.7
116.98608	1.7
119.10009	1.0
123.04404	1.0
124.07589	3.2
124.11182	2.1
125.07873	1.0
125.10754	0.9
126.09159	2.6
126.12779	3.2
127.03922	2.2
128.98604	1.4
129.10280	2.3
130.04997	2.8
130.90805	0.8
132.10155	1.5
140.07063	2.7
142.12288	12.2
143.11795	9.4
145.04906	1.1
147.07680	3.5
149.02345	19.7
152.05682	7.3
152.10663	1.6
153.06064	1.9
158.99722	1.1
159.07655	11.5
167.03442	2.2
169.13425	2.2
171.11325	1.0
173.12877	1.0
177.08707	45.8
187.07205	3.7
187.14420	100.0
188.14662	1.5
201.06624	2.2
205.03790	1.2
211.14478	0.9
215.13921	31.6
217.13750	1.3
219.01755	5.8
229.06123	2.4
229.12628	1.4
229.15471	1.5
230.13860	5.7
237.02872	4.2
244.09378	1.9
259.09961	1.3
272.16028	5.9
288.11868	3.0
290.17282	1.1
312.15491	2.1
316.18646	3.5
323.10257	1.1
331.06961	1.3
347.13156	1.5
349.08084	3.4
355.18756	1.0
373.16190	1.2
373.20865	14.6
391.12714	2.0
391.19772	2.7
394.55603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
60.24372	0.3
69.86996	0.5
69.87402	1.3
70.06577	0.6
71.08629	0.5
81.07047	0.3
83.78671	0.3
93.07080	0.4
95.44261	0.4
98.20850	0.6
105.06971	0.4
115.68500	0.3
119.14445	0.3
120.70589	0.3
121.07301	0.4
121.10111	0.5
136.44531	0.4
149.02344	3.9
245.10081	0.4
300.96399	0.3
329.32367	0.5
391.24557	100.0
392.24884	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.2
57.56485	0.4
70.06596	1.9
70.65884	1.6
71.06908	0.5
71.08627	1.2
81.07054	0.8
87.42433	0.6
88.07628	2.3
89.87327	0.5
91.05486	0.9
93.07030	0.9
95.04941	0.5
102.09181	1.8
105.07035	0.7
107.08594	0.5
120.03466	0.5
122.58276	0.5
149.02353	6.1
167.03423	0.5
177.35129	0.5
220.29680	0.5
267.10260	0.6
284.29501	1.3
285.29828	4.8
321.16705	1.2
341.65335	0.6
350.17310	1.3
362.83713	0.5
368.18240	1.6
373.29132	0.5
390.35916	0.6
391.24561	100.0
391.35733	10.1
392.25021	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.05523	21.8
57.07064	14.3
57.07334	4.3
67.05505	29.4
69.07063	16.4
71.08624	7.6
71.48631	6.4
79.05494	32.9
81.07056	47.0
83.04988	5.0
83.08618	8.1
84.49942	3.9
85.06543	5.1
91.05474	49.6
93.07034	45.4
93.26337	4.0
95.04977	41.1
95.08606	37.7
97.06538	6.5
103.05483	6.3
105.07038	73.0
107.04957	5.7
107.08601	28.9
109.06514	11.6
109.10133	15.5
117.06996	16.8
119.08598	55.4
121.06508	16.1
121.10153	32.7
128.06229	14.5
129.07001	15.1
130.07753	9.7
131.07785	3.7
131.08580	32.8
133.10078	27.5
133.11617	4.8
135.08066	8.1
135.11705	9.2
137.06047	4.0
141.06993	8.9
142.07776	19.9
143.08572	33.4
144.09322	6.2
145.06468	6.3
145.10141	47.6
147.08018	9.2
147.11694	8.9
149.02354	65.0
149.09650	4.3
155.08545	12.9
156.09337	12.1
157.10136	30.5
159.07997	5.0
159.11708	20.2
161.09595	7.6
165.07022	6.7
167.03481	8.3
167.08556	8.3
168.09329	6.9
169.10107	25.2
170.10864	5.2
171.11684	20.2
173.09660	7.9
173.13231	13.2
175.11194	9.2
179.08563	16.5
180.09311	6.3
181.10136	22.7
182.10902	8.0
183.11681	23.2
185.13319	8.8
187.11180	7.9
193.10092	18.9
194.10938	8.3
195.11667	20.1
196.12411	8.6
197.09631	5.0
197.13271	13.9
199.11172	7.8
199.14793	10.2
206.10931	9.6
207.11681	22.8
208.12439	7.0
209.13258	21.2
211.11087	5.5
211.14830	9.3
213.12611	5.3
219.11627	10.3
220.12421	8.9
221.13280	10.9
223.14766	12.9
225.12798	5.2
231.11729	9.1
232.12376	6.8
233.13243	10.1
233.15427	5.4
235.14832	9.3
237.12863	5.8
237.16391	5.7
239.14220	4.5
245.13319	7.0
249.16348	11.7
263.17883	7.2
267.17569	7.3
273.16245	4.6
289.19086	5.1
291.17322	5.9
293.18954	6.6
297.18576	6.8
335.19916	6.4
373.25311	16.9
391.26047	100.0
391.35831	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	392.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05497	0.3
56.05027	1.1
56.96564	0.6
57.03441	0.4
58.06606	0.5
64.34692	0.4
65.03952	0.3
69.03432	1.2
69.07078	0.4
70.06593	4.2
71.47863	0.6
73.02924	0.3
74.06076	2.6
75.06398	0.4
79.05489	1.1
81.03417	0.7
83.06065	0.4
84.04501	1.1
84.08138	1.4
85.02916	2.4
86.09706	2.6
87.10033	1.0
94.06548	0.3
95.04985	1.2
97.02905	1.2
98.97555	1.9
101.07151	0.9
106.06577	0.4
107.04960	100.0
108.05295	1.2
108.08105	0.5
110.06064	0.9
110.97615	0.3
120.08124	0.7
121.06506	0.6
122.06034	1.2
123.04433	0.7
124.07564	2.0
127.03931	0.5
136.07587	0.7
138.09163	0.5
140.07059	1.8
145.04919	0.4
149.02353	1.5
149.09653	0.4
152.05711	0.5
154.08618	2.4
166.12352	0.7
167.07053	0.6
176.10750	0.5
177.08765	1.1
178.08806	0.3
187.14444	0.9
188.14706	2.0
194.11838	1.3
201.00551	0.4
212.12912	1.1
215.13866	0.6
219.01726	0.6
230.13893	13.7
237.02695	0.7
251.56848	0.5
286.13025	0.6
392.19449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
58.63861	0.2
69.03441	0.3
69.15753	1.9
69.16143	0.4
74.60002	0.2
78.41820	0.2
79.05477	1.3
85.02921	0.6
86.09705	1.8
91.05477	1.0
95.04986	0.4
97.02924	0.2
98.20735	0.4
106.06557	100.0
107.04958	25.5
107.05716	0.4
107.06887	0.9
118.06541	3.7
118.07896	0.2
120.08077	1.6
124.07599	2.3
130.06577	0.3
134.06041	0.2
148.07602	0.4
199.18039	0.3
200.76186	0.2
212.10709	7.7
215.13556	0.2
233.16464	0.7
261.40179	0.2
268.11899	0.5
279.17010	0.3
286.12918	1.7
326.87357	0.2
401.88174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07080	2.3
70.06583	3.8
70.13034	5.9
73.48936	1.3
79.05511	1.6
84.08123	2.2
85.02898	2.6
86.09715	11.0
91.05473	3.7
95.04974	1.4
97.02917	1.7
98.20829	2.2
106.06561	35.9
107.04964	15.6
109.06447	1.8
109.10136	1.5
118.06535	2.0
120.08102	16.0
120.87000	1.4
121.02892	2.8
123.04441	1.6
127.03930	1.3
128.06224	1.8
129.06995	3.0
141.07005	4.4
147.04404	4.6
149.02374	1.8
150.02715	1.6
154.07747	4.0
163.18155	1.3
167.08601	5.0
169.08853	2.6
182.06085	1.5
184.11171	2.8
190.94708	1.6
193.04433	1.5
197.08359	3.0
212.10712	100.0
213.10939	2.2
224.54987	1.3
230.11795	86.0
233.16533	7.1
251.74379	1.6
259.09793	1.5
289.15692	1.6
299.05582	7.2
392.20786	1.9
393.09909	7.9
416.34091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
58.28286	0.2
67.05483	0.2
68.60796	0.1
68.99788	0.9
69.03415	0.3
69.20835	1.3
69.21235	0.2
79.05497	0.9
81.03410	0.3
81.07047	0.2
91.05489	0.3
95.04974	0.2
95.08614	0.2
98.21494	0.3
100.07461	0.1
105.03384	0.7
105.04482	0.2
105.06989	0.3
107.04960	15.1
109.02881	0.5
111.00804	1.2
115.05445	0.2
121.02868	4.0
121.03860	0.2
126.41747	0.2
128.06323	0.2
129.07027	0.3
133.02856	0.7
135.04402	0.2
137.02338	1.3
144.98032	0.2
145.06467	0.4
147.04390	1.1
153.01836	5.6
157.06573	0.8
161.06026	0.3
165.01819	2.2
171.04436	0.2
177.03714	0.3
183.02907	1.2
185.05980	0.8
199.03906	0.2
203.03691	0.2
210.18149	0.2
213.05478	2.0
216.04068	0.1
217.01889	1.5
218.06142	0.3
220.77208	0.2
229.05011	0.3
231.06561	0.9
241.04916	0.8
246.05806	1.3
258.05243	1.4
259.05981	0.7
269.04419	0.3
271.12100	0.4
287.05499	100.0
288.05908	1.8
299.05484	1.3
349.08481	0.7
393.09714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0966
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
50.50131	0.2
51.29796	0.2
52.16200	0.2
54.01882	0.2
55.01637	0.2
55.01872	1.6
55.79321	0.1
65.03918	0.6
68.21027	0.2
68.99774	0.5
69.90086	0.1
71.00154	0.3
79.01840	0.3
79.05447	0.2
88.84063	0.2
91.05448	0.2
93.03403	0.3
95.04977	0.2
97.18040	0.1
103.05429	0.2
105.03365	0.3
107.00639	0.2
107.01326	3.0
107.04961	0.9
109.02873	0.2
111.04382	0.3
115.05414	0.3
117.07001	0.3
121.02870	19.6
131.04932	0.2
133.02832	0.4
133.06467	0.6
137.02299	0.4
137.05939	0.7
141.01810	0.2
141.07001	0.8
145.06474	1.1
147.04407	1.6
149.02327	0.7
155.04903	0.3
157.06494	0.8
161.05925	0.3
165.01845	3.7
169.06479	1.1
171.04340	0.3
173.05989	10.2
174.06305	0.1
177.01775	0.2
181.06415	0.2
183.02872	0.8
183.04402	0.9
187.07628	0.2
197.06009	1.9
199.03906	0.3
201.05496	2.2
211.03822	0.2
215.06866	0.3
225.05507	1.1
229.04973	10.8
243.06555	1.4
253.05017	0.8
257.04437	0.4
271.06152	0.8
287.05521	0.6
288.61810	0.2
299.05505	100.0
300.05899	1.9
393.09677	90.3
394.10129	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	393.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
58.28286	0.2
67.05483	0.2
68.60796	0.1
68.99788	0.9
69.03415	0.3
69.20835	1.3
69.21235	0.2
79.05497	0.9
81.03410	0.3
81.07047	0.2
91.05489	0.3
95.04974	0.2
95.08614	0.2
98.21494	0.3
100.07461	0.1
105.03384	0.7
105.04482	0.2
105.06989	0.3
107.04960	15.1
109.02881	0.5
111.00804	1.2
115.05445	0.2
121.02868	4.0
121.03860	0.2
126.41747	0.2
128.06323	0.2
129.07027	0.3
133.02856	0.7
135.04402	0.2
137.02338	1.3
144.98032	0.2
145.06467	0.4
147.04390	1.1
153.01836	5.6
157.06573	0.8
161.06026	0.3
165.01819	2.2
171.04436	0.2
177.03714	0.3
183.02907	1.2
185.05980	0.8
199.03906	0.2
203.03691	0.2
210.18149	0.2
213.05478	2.0
216.04068	0.1
217.01889	1.5
218.06142	0.3
220.77208	0.2
229.05011	0.3
231.06561	0.9
241.04916	0.8
246.05806	1.3
258.05243	1.4
259.05981	0.7
269.04419	0.3
271.12100	0.4
287.05499	100.0
288.05908	1.8
299.05484	1.3
349.08481	0.7
393.09714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.097
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
53.03922	0.2
55.01871	2.0
56.39056	0.2
65.03908	0.8
67.05484	0.3
68.99763	0.5
69.88439	0.2
71.48637	0.3
71.67887	0.2
79.01857	0.6
79.05472	0.4
81.03400	0.5
81.07032	0.5
90.38206	0.2
91.05482	0.6
93.03397	0.4
93.07032	0.5
94.04213	0.3
95.08595	0.5
97.02883	0.2
97.06519	0.2
105.03361	0.6
105.07011	0.8
107.01321	3.2
107.04966	1.6
107.08587	0.4
109.02863	0.4
109.10149	0.3
111.04413	0.4
115.05511	0.2
117.07021	0.4
121.02874	19.6
127.03896	0.3
131.04922	0.6
132.26459	0.2
133.02812	0.2
133.06496	0.6
133.10056	0.3
137.02335	0.4
139.64513	0.2
141.07008	0.6
145.06467	1.9
145.10107	0.4
147.04424	2.0
149.02330	0.9
151.04028	0.2
152.06210	0.2
155.04886	0.4
155.06000	0.4
157.06499	0.9
157.10120	0.3
159.04401	0.3
161.05992	0.4
165.01822	3.7
169.06494	1.3
171.04372	0.8
173.05992	10.4
174.06299	0.2
178.98454	0.2
181.06418	0.3
183.02867	0.9
183.04414	0.9
187.07477	0.3
197.05968	1.5
201.05472	2.3
211.04045	0.3
213.05505	0.2
215.06897	0.4
225.05547	1.0
229.04974	11.5
230.05177	0.3
243.06586	1.4
253.04965	0.9
257.04459	0.3
264.16434	0.2
271.06107	1.2
271.12009	0.6
275.05359	0.3
287.05475	0.4
299.05511	100.0
300.05804	2.2
391.85333	0.3
393.09692	98.2
394.10104	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	393.1545
Annotation	5,4'-Dihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.5
57.03423	0.2
65.03939	0.7
67.05503	1.2
68.77610	0.2
69.03425	0.6
69.07042	0.3
69.99838	0.8
70.06582	0.9
71.04989	0.2
72.08124	0.6
76.28625	0.2
79.05493	0.4
81.03429	0.4
81.07069	0.4
84.08122	0.4
85.02902	1.0
86.09691	1.2
91.05481	6.1
93.03417	0.2
93.07040	1.6
95.04955	0.5
95.08604	0.3
97.02869	0.4
98.20798	0.3
105.07027	0.4
107.01306	0.3
107.04967	1.8
109.02863	0.2
109.06516	0.3
109.91820	0.2
111.04395	0.2
111.06786	0.2
119.04941	17.7
120.08103	1.2
121.02866	3.2
121.06516	0.6
123.04423	0.2
127.03941	0.2
128.06259	0.2
129.10268	0.3
131.04958	0.2
132.02016	0.2
135.04375	0.4
137.05974	0.6
145.06549	0.3
147.04410	100.0
148.04776	1.3
157.06505	0.3
161.06068	0.3
165.01865	0.6
169.06490	0.3
171.04428	0.2
173.05984	1.9
183.04332	0.2
185.09622	0.3
197.06039	0.3
201.05391	0.4
213.09053	0.4
216.07884	0.7
217.08644	0.9
229.04948	1.6
231.10164	33.8
232.10527	0.7
243.10194	0.3
255.10143	0.3
271.05997	0.2
299.05511	15.2
300.05917	0.4
300.10410	0.2
393.09717	13.7
393.15277	1.3
394.10092	0.7
415.98853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.03958	0.9
55.01873	0.8
55.05503	2.2
56.05033	4.7
56.47333	0.7
57.03415	1.1
57.05363	0.9
61.01147	0.9
67.05500	0.9
69.03416	2.2
69.07063	1.2
70.06593	7.2
71.47713	1.3
72.07762	1.3
72.08157	25.5
73.60289	0.8
74.02437	2.4
74.52731	0.8
76.02229	1.7
78.01803	2.3
79.05479	0.8
81.03426	0.9
83.06107	3.0
83.18844	0.7
84.01163	0.8
84.04504	4.2
84.08135	3.2
85.02901	2.0
86.09710	49.0
87.05585	3.5
87.10014	1.0
88.03982	0.9
90.41719	0.7
91.05492	1.3
93.07040	1.3
95.04961	1.0
95.08583	0.7
97.02881	2.2
103.05454	2.3
103.87907	0.7
104.05312	1.5
105.01824	0.8
106.04897	2.6
107.04958	13.5
108.05314	2.5
109.06471	1.0
110.07159	1.8
116.07088	1.9
120.08105	100.0
121.02846	0.9
121.06580	0.9
121.08466	2.2
121.10089	0.8
127.03908	1.9
128.95013	0.7
129.10239	2.0
132.10219	1.7
133.06094	13.4
135.04413	1.0
136.07568	1.2
143.11858	1.8
145.04932	0.8
147.76738	0.9
149.06001	1.7
151.03929	3.3
164.01727	1.5
166.08643	2.9
167.08192	2.3
171.11383	1.5
175.10756	2.2
177.05450	2.4
177.10242	2.8
179.04877	1.0
180.05165	1.1
181.04388	4.3
182.12918	1.5
183.11366	1.4
185.16498	1.1
186.09297	0.9
189.12302	1.5
191.11755	1.3
195.10220	1.2
196.10515	2.2
200.14012	1.4
205.09697	1.0
214.08794	0.8
216.08795	2.0
219.11340	2.5
223.10799	1.3
233.16492	29.0
234.09801	0.9
240.08849	1.2
261.16058	8.4
263.10300	2.4
280.12964	4.8
287.17639	2.2
299.05414	3.2
300.10782	1.5
375.11880	1.3
375.20450	0.8
393.09576	1.6
393.15332	0.9
393.20502	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.03448	4.7
57.07077	34.0
66.66760	0.5
67.05505	14.0
69.07073	7.4
69.82237	3.6
71.08243	1.4
71.08635	26.2
72.72878	0.6
78.26552	0.8
79.05499	1.3
81.07061	19.0
83.08150	1.1
83.08620	13.5
85.06557	0.9
85.10184	14.4
91.05478	0.7
93.07047	1.5
95.08607	24.5
97.10178	5.1
98.98467	70.6
99.11718	1.1
99.34181	0.6
105.07036	0.9
107.08619	1.0
109.09483	0.9
109.10166	10.4
111.11745	1.5
113.00022	1.1
115.74337	0.7
116.99545	0.8
119.08567	0.9
121.10147	1.1
123.11732	5.9
125.13236	1.0
133.10101	0.7
137.05995	0.9
137.13242	2.8
139.14891	0.7
145.10110	1.0
149.92950	0.6
155.01042	100.0
163.86111	0.7
169.02649	1.5
169.06406	1.4
183.07999	1.1
221.22581	1.2
239.23717	6.8
256.07288	1.4
317.94666	0.7
349.41977	0.7
351.70483	0.6
393.13425	1.5
393.27786	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08178	0.6
55.05516	7.0
57.03438	5.0
57.07079	36.2
67.05509	12.7
69.07066	7.9
70.14383	0.7
71.08636	25.2
71.24023	1.3
77.17891	0.7
79.05503	1.9
81.07062	19.4
81.96699	0.7
83.08622	11.8
85.10188	12.6
86.09731	0.7
90.37940	0.7
91.05450	0.8
93.07040	2.2
95.07979	1.2
95.08614	26.5
97.10184	5.3
98.98471	72.4
99.11736	1.8
105.07011	1.7
107.08604	1.3
109.10159	12.0
111.11707	2.1
113.13298	1.0
116.99471	0.9
119.08581	1.4
121.10155	1.6
123.11711	5.9
125.13226	1.0
125.84491	0.7
131.08606	1.2
135.11697	1.0
137.13240	1.7
151.14828	1.1
155.01048	100.0
157.10220	0.7
159.11661	1.0
165.16426	0.9
215.98938	0.7
219.38235	0.7
221.22751	1.1
234.44005	0.7
239.23700	7.1
242.53867	0.6
256.07327	2.0
378.40182	0.7
393.13428	1.5
393.31772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
67.05489	2.4
69.07070	1.0
70.87714	1.2
78.71047	0.8
79.05493	2.7
81.07057	2.7
91.05486	1.2
93.07037	2.6
95.05011	1.1
95.08614	2.9
105.07054	3.2
107.08620	1.0
109.10184	2.4
114.21376	0.9
117.01529	0.8
119.08573	1.5
121.06548	1.2
121.10124	1.2
123.08127	0.9
131.08604	1.9
133.10149	0.9
137.05992	2.5
138.61989	0.8
145.10205	1.4
159.11716	2.0
221.93062	0.9
256.07318	8.1
269.11978	0.9
295.03342	0.8
299.05359	1.0
393.13797	4.9
393.26132	100.0
394.26453	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	1.4
63.04721	0.5
65.67539	0.5
69.07061	0.5
69.81301	1.3
69.81717	1.5
81.07050	0.8
82.30219	0.6
93.07053	0.5
95.08624	0.7
98.21489	1.1
171.50215	0.5
205.22563	0.6
241.76994	0.5
256.07333	1.2
258.22488	0.5
309.19739	0.6
368.71637	0.5
375.24753	0.7
385.49234	0.5
393.26126	100.0
394.26440	2.9
419.71872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56252	2.2
53.03941	2.6
55.01879	2.4
55.05511	15.4
57.03433	7.4
57.07062	3.5
67.05505	24.1
69.03420	3.9
69.07063	14.7
71.04986	3.5
71.48293	3.2
78.25396	2.0
79.05497	26.8
81.03391	3.1
81.07057	29.8
83.04977	3.6
83.08602	4.2
85.06546	3.6
85.64403	1.8
89.52779	1.8
91.05482	41.5
93.07054	29.8
95.04972	12.3
95.08610	23.3
97.06544	3.1
97.10152	4.0
103.05465	4.4
103.88129	2.1
105.04469	2.4
105.07033	44.9
107.04960	7.0
107.07928	2.8
107.08578	17.3
109.06519	5.5
109.10159	9.1
111.08054	2.3
115.05437	4.8
117.07016	30.0
119.04924	2.9
119.08587	30.0
121.06515	7.9
121.10175	9.9
123.08035	4.7
123.11713	2.7
126.35728	2.1
128.06201	6.7
129.07039	14.9
130.07808	3.5
131.08563	39.7
133.06512	13.0
133.10132	18.7
135.08044	6.3
135.11694	10.9
137.05978	9.4
141.06970	3.8
142.07738	4.0
143.08586	15.3
145.06473	3.4
145.10129	32.5
147.04372	4.3
147.08058	9.1
147.11726	12.2
148.04791	2.2
149.09599	5.0
149.13272	5.2
155.08591	3.7
157.10139	15.2
159.11716	18.2
161.09630	11.7
161.13252	8.8
163.11128	3.8
169.10123	5.0
171.11646	10.7
173.09607	2.3
173.13228	11.8
175.11176	8.6
175.14771	3.8
177.12793	2.8
178.15175	2.1
183.11810	3.7
185.13249	8.0
187.14795	4.0
189.12746	6.8
191.07103	3.6
191.10590	2.3
191.14365	2.3
192.07445	2.5
199.14879	5.3
201.12614	2.1
203.14381	4.1
209.13202	3.0
213.05510	4.8
217.15796	2.3
226.06339	2.0
227.07066	9.9
229.19577	2.8
229.23685	2.3
239.18059	2.2
241.63469	1.9
243.10786	2.2
255.06485	2.8
255.21069	5.0
256.07309	60.6
257.07782	3.8
257.19043	4.6
265.19543	3.6
273.22171	28.5
275.20108	3.3
283.20557	15.9
284.88388	1.9
299.05667	3.3
301.21616	100.0
302.21979	2.2
319.22681	11.5
331.22687	3.0
334.41357	2.2
349.23727	10.7
357.77634	2.3
365.26563	2.6
375.12173	4.4
375.25302	63.2
376.25485	2.6
393.08682	3.7
393.13391	57.5
393.26447	31.1
394.13730	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54729	1.3
53.03939	1.9
55.01866	1.8
55.05276	1.3
55.05516	9.2
57.03423	5.2
57.07079	32.4
62.08434	1.1
65.03922	1.7
67.05505	20.1
67.79153	1.3
69.03397	1.4
69.07070	12.5
69.16908	14.2
71.08639	21.6
73.18432	1.5
79.05502	11.0
81.07059	31.8
81.18272	1.4
83.08630	11.1
85.10183	13.7
91.05485	13.9
93.07052	16.5
95.04977	13.0
95.08614	36.4
97.06545	1.5
97.10154	5.4
98.98475	60.5
105.07041	21.5
107.04950	2.2
107.08599	13.9
109.06509	5.0
109.10170	14.3
111.11771	1.6
117.06989	5.3
119.08579	19.8
121.06545	2.4
121.10156	8.1
123.11736	6.9
128.06219	2.9
129.07004	5.7
130.07733	1.6
131.08585	9.6
133.10138	13.7
135.08081	1.9
135.11682	4.2
137.09607	2.0
137.13306	2.2
141.06924	1.8
142.07771	5.8
143.08601	7.3
145.10141	16.8
147.07941	1.4
147.11710	6.4
155.01050	100.0
155.08542	4.7
156.09380	3.2
157.10147	11.2
159.11719	11.1
159.72496	1.4
161.09599	3.2
161.13205	2.2
168.09305	1.7
169.10135	6.3
170.10823	1.5
171.11624	5.3
173.13245	5.0
175.11217	2.5
175.14787	3.7
183.11714	3.9
185.13377	2.1
187.11105	1.5
187.14792	3.3
195.11673	1.7
197.13307	3.0
199.14864	2.5
201.16383	2.4
209.13252	5.0
223.14845	1.7
225.16412	1.6
235.14902	1.6
239.23642	7.8
253.15732	1.3
256.07321	3.8
265.19745	1.3
288.45996	1.4
324.27362	1.4
350.14655	1.4
393.13303	2.0
393.27359	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	393.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36839	0.4
51.24725	0.5
53.13507	0.4
55.05505	0.9
57.03442	0.5
60.04538	0.6
65.03928	0.7
67.05487	2.0
69.03417	1.3
69.07061	1.3
70.06593	4.0
71.04981	1.1
71.48209	1.0
79.05478	1.6
81.03419	1.1
81.07050	2.3
83.04968	1.0
84.08185	2.2
84.08609	0.6
85.02893	1.5
86.09713	4.1
87.05603	1.0
91.05485	8.5
93.07056	3.4
95.04958	2.2
95.08595	1.5
97.02895	0.6
97.06563	0.5
99.04469	1.0
105.07026	1.9
107.04957	3.7
107.08582	1.9
109.02851	0.6
109.06512	1.1
109.10152	1.4
113.05993	0.9
117.07006	0.5
119.04945	18.0
119.08582	1.3
120.08108	2.8
121.02856	0.5
121.10165	2.3
123.11697	1.3
127.11220	0.7
128.06216	0.5
129.06993	0.5
129.10236	1.3
131.04904	0.9
133.01512	0.4
133.10136	0.6
135.08023	0.5
135.11647	0.7
137.05980	1.0
137.09567	0.5
145.10121	1.4
147.04413	100.0
147.11668	0.5
148.04747	1.8
157.10176	0.7
159.08119	0.5
161.13263	0.6
167.10721	0.6
171.08148	0.5
171.11694	0.5
173.12900	2.5
189.05540	0.7
195.08031	0.5
199.07527	0.5
199.14841	1.0
201.12468	0.5
201.57033	0.5
213.09273	0.5
214.12314	0.5
217.08601	1.9
224.51128	0.5
230.11909	0.7
231.10161	31.3
231.11914	1.9
232.10556	0.8
232.13322	1.1
234.12373	0.6
299.05365	2.2
323.97470	0.5
343.19705	1.0
393.09891	1.0
393.15387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60975	1.9
53.03942	2.1
55.05518	34.2
57.07082	21.6
67.05509	18.8
69.07075	31.3
69.07432	3.3
69.14413	1.8
71.08629	7.4
79.05507	12.4
81.07066	58.8
83.08625	86.3
83.15962	1.8
85.10178	3.3
91.05488	10.2
93.07050	16.7
95.08615	26.2
97.10183	13.1
98.21559	3.0
105.07035	18.5
107.08607	25.6
109.10189	16.3
111.11730	2.4
117.07037	3.3
119.08615	12.0
121.10152	13.2
123.11708	7.6
129.06998	6.1
131.08527	9.3
133.10141	15.4
135.11722	7.2
137.13240	4.0
139.14873	2.2
142.07813	3.0
142.93544	1.7
143.08594	9.2
145.10130	23.1
147.11697	10.5
149.13260	5.8
153.23212	1.8
155.08568	2.6
157.10126	22.7
159.11703	17.0
161.13260	6.5
163.14838	4.0
168.09593	2.0
169.10147	2.8
169.79587	2.4
171.11702	7.9
173.13330	10.3
174.89589	1.9
175.14891	3.7
183.11743	5.2
185.13322	7.4
187.14886	6.7
191.27144	1.8
197.13330	4.4
199.14925	5.9
201.16423	7.1
211.14909	5.6
213.16422	5.8
215.18002	5.5
225.16432	4.3
227.17896	2.7
229.19560	2.1
239.17888	10.9
253.19574	8.6
255.21126	3.4
256.07388	3.7
281.22876	3.2
295.24210	17.5
309.25800	9.5
313.28867	3.0
393.13498	5.7
393.35205	100.0
394.35861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07090	0.9
69.40818	3.7
69.41248	3.5
72.08192	1.1
82.34680	0.9
85.06573	1.1
85.98029	0.9
86.09706	3.8
91.05488	65.1
94.06573	1.4
105.07066	1.6
107.04967	3.0
108.04455	1.7
110.06007	1.1
120.08125	5.3
122.06041	2.3
122.78489	0.9
123.06824	11.7
129.06995	1.2
136.07545	1.1
141.07886	1.6
143.08571	1.2
146.54808	0.9
147.04451	1.1
148.04790	1.3
167.08685	0.9
169.10138	1.4
186.09167	4.1
186.12749	1.0
193.57039	0.8
197.09608	1.1
201.12268	1.2
204.13802	1.7
214.12283	40.3
214.14369	2.1
232.13341	100.0
233.13728	1.9
246.40872	0.9
273.60843	0.9
300.05795	1.8
368.66205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
56.96552	6.1
69.03428	5.3
70.06569	2.5
70.38771	8.7
72.08144	5.2
73.06777	2.3
77.00906	3.0
80.54782	2.1
82.99851	5.5
84.08110	2.6
85.01398	3.1
85.02892	7.1
97.02856	2.9
98.97588	34.8
99.03017	3.1
101.00883	48.1
101.07140	2.7
103.02435	3.8
107.04960	13.2
110.97566	6.9
113.00858	24.2
115.02480	2.9
116.98618	8.1
117.03999	5.5
119.01931	49.7
120.08083	9.1
123.04449	4.2
127.02424	23.4
127.03908	3.0
127.04972	3.1
128.98651	4.8
129.04005	5.3
130.04985	3.9
131.01924	41.0
133.03491	5.7
136.07593	6.0
137.02928	5.7
141.03966	7.6
143.00142	4.1
143.01904	23.2
144.99867	3.0
145.03473	67.2
146.99580	3.6
147.05110	3.6
147.07631	3.5
149.02834	2.9
153.03888	3.2
155.00143	3.3
155.01884	18.9
157.03510	5.6
158.99620	10.8
159.05063	20.1
161.02968	18.0
163.04501	6.3
166.01317	2.3
166.07310	3.0
169.02087	3.8
169.03479	52.9
170.99945	3.3
171.01404	9.7
171.05043	16.2
173.02951	15.6
174.99100	2.7
177.00723	6.8
180.04680	2.2
181.03426	14.2
183.05002	4.1
185.02969	10.0
187.04538	80.8
189.02409	19.8
189.06148	2.9
197.03026	2.4
199.04536	30.8
201.00677	2.7
201.02448	5.0
201.06158	4.2
203.04045	10.3
213.02478	19.6
215.00444	4.6
215.03947	4.5
217.01950	3.2
217.05583	4.6
219.01755	12.2
221.05093	9.1
221.12816	3.7
225.02419	6.0
229.05646	4.9
231.03557	21.0
237.02721	10.8
243.03577	4.7
245.05080	12.2
257.01431	9.7
261.04733	3.8
263.06146	2.8
275.02515	100.0
276.02664	5.4
279.03876	4.0
287.02469	50.4
289.07779	4.1
293.03549	11.5
303.01910	6.1
305.03293	12.8
345.04221	3.0
353.07532	3.1
359.04501	3.2
377.05487	8.1
395.05911	3.6
395.10220	4.0
405.23575	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	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35550	5.2
67.05486	8.0
67.15311	6.8
69.03424	11.3
69.07059	9.6
70.06590	22.8
70.09235	17.7
72.08141	8.1
79.05492	8.6
81.07053	10.5
84.04505	7.1
85.02910	7.6
85.06555	11.5
86.09746	13.7
91.05492	13.1
93.07040	12.3
95.04956	8.4
95.08599	7.8
97.06523	7.3
101.98987	4.9
105.07035	14.7
107.04973	19.6
107.08639	8.6
109.06474	6.2
109.10147	7.5
110.07170	7.6
119.08584	8.7
121.10136	7.7
123.11706	6.6
126.55062	5.9
130.74692	6.3
136.07623	11.7
145.10022	5.9
161.05936	11.3
174.06746	6.2
178.03264	10.2
192.04192	20.5
195.90150	6.5
201.05476	18.9
215.14333	10.1
219.68138	5.5
233.08093	100.0
237.18608	9.1
308.36768	6.7
347.98022	5.7
395.07510	46.8
395.12750	8.0
395.14340	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	12.8
65.44038	1.4
70.06589	1.6
71.47865	1.9
76.83291	1.3
84.08141	1.8
84.96034	5.8
98.97589	100.0
107.04947	3.3
110.06071	1.5
110.97576	20.0
112.99136	6.3
116.98628	16.9
123.04488	1.9
124.99137	7.7
126.97130	1.4
128.98605	9.0
131.00211	3.8
136.07724	1.9
136.99113	1.5
140.98569	2.4
143.00186	11.0
144.98083	2.2
145.01649	1.9
146.99620	3.2
155.00151	3.7
158.99651	42.9
161.01236	4.6
170.99675	6.3
173.01201	2.4
177.00714	18.5
185.01241	7.2
187.02824	2.8
189.00726	4.9
195.48543	1.6
197.01308	2.4
201.00748	11.7
201.36836	1.3
203.02258	3.8
207.01825	2.7
215.02280	3.1
219.01779	56.8
232.99736	1.8
233.03336	1.9
237.02834	29.9
245.03342	5.6
247.01213	1.4
257.03415	3.9
261.02826	8.0
273.11642	3.3
275.04349	4.7
276.52396	1.6
279.03879	12.6
287.04465	3.3
293.05496	3.7
295.07080	2.8
305.05484	6.3
309.04837	3.9
317.05405	3.1
321.04861	5.7
323.06470	3.3
335.06546	24.2
353.07535	15.4
395.08521	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	395.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
56.05041	10.6
56.96564	3.1
57.14934	1.2
58.06595	4.1
67.05515	1.6
68.88799	1.3
69.03426	3.0
69.07045	1.2
70.06604	6.8
71.47491	1.9
72.08138	2.6
74.06084	21.8
78.34028	1.3
81.03407	1.3
81.04536	5.2
84.04509	55.3
84.08150	13.0
85.02905	4.5
85.11806	1.2
86.09728	2.5
87.05576	1.8
88.04025	1.8
88.23177	1.3
91.05484	5.4
91.88825	1.2
91.89681	1.3
98.97041	1.4
98.97565	7.0
101.06533	2.3
101.07154	25.0
101.73856	1.3
102.05551	3.5
103.05483	3.2
105.07011	2.8
107.04958	33.1
109.50531	1.2
112.08747	1.2
116.98676	3.7
117.07105	1.6
120.08114	89.5
121.08418	1.3
127.04167	1.9
127.05056	17.0
129.10217	6.0
130.05009	75.9
130.06557	4.7
131.63115	1.3
132.08144	1.7
133.06110	2.6
136.07550	3.8
147.07657	100.0
158.09668	12.3
158.99611	1.8
160.07591	3.9
160.11267	2.5
162.04150	4.8
176.10710	13.7
177.10251	6.3
178.75887	1.3
203.11832	1.2
219.01736	2.2
221.12869	57.2
233.09393	2.1
233.15002	2.1
234.12289	1.9
235.10695	1.9
237.02826	1.8
249.12447	10.2
263.08856	3.0
277.11740	1.6
294.14511	8.4
304.80353	1.4
308.30362	1.4
323.10196	1.9
395.13541	5.6
395.18420	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	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64141	2.5
53.03937	6.7
55.05511	15.1
57.03429	3.7
57.07079	4.0
65.03902	2.3
67.05510	39.3
69.07073	17.2
70.19939	9.6
71.05001	2.9
72.24141	2.3
73.02920	3.1
79.05498	61.4
81.07059	43.6
83.04937	2.9
83.08627	8.8
85.06542	2.9
90.79746	2.4
91.05485	64.1
93.07050	70.7
95.04993	6.1
95.08611	28.9
97.06544	3.8
97.10175	5.4
105.07037	63.4
107.04948	8.0
107.08601	40.4
109.10147	9.9
111.08105	2.7
117.07003	16.0
119.03429	4.4
119.08588	53.4
121.10145	26.7
123.11681	3.6
124.72349	2.3
127.11239	2.5
128.06227	3.1
129.07005	11.0
131.08551	19.5
133.10143	50.9
135.11705	28.8
143.08557	13.6
145.10104	23.6
147.11694	40.2
149.09581	2.6
149.13295	16.5
157.10133	8.8
159.11723	15.8
161.13240	27.6
163.11238	2.8
163.14935	4.0
165.97855	2.5
171.11729	10.7
173.13281	9.4
175.14844	14.4
185.13263	10.0
199.14824	10.1
213.16458	2.7
231.21161	12.6
241.19527	28.4
259.20581	100.0
260.20734	2.8
395.24402	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	395.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.05503	10.7
57.03425	10.8
57.07061	8.3
58.33848	2.2
59.04971	2.4
65.03941	2.5
65.24345	2.0
67.05508	57.3
69.03431	100.0
69.07060	13.4
70.66742	4.9
71.04987	5.8
75.65555	2.3
79.05494	33.9
79.56542	2.3
81.03418	14.8
81.06590	4.7
81.07054	62.6
83.04941	2.7
83.08623	5.7
87.04464	3.7
89.57039	2.5
91.05487	19.7
93.06499	2.6
93.07051	36.2
95.04984	4.3
95.08611	49.1
96.48926	2.4
97.06511	3.9
97.10145	4.3
98.20845	3.1
99.04459	41.4
105.07027	15.3
107.04926	5.2
107.08595	24.1
109.06479	3.0
109.10165	24.6
117.05495	35.5
117.07030	5.3
119.08564	13.6
121.10153	20.4
123.08093	7.3
123.11732	11.1
128.06232	2.6
131.08553	10.7
133.10149	15.6
135.08063	3.8
135.11691	14.0
145.10089	10.9
147.11694	6.7
149.09682	3.7
149.13257	9.3
155.08519	2.6
159.11665	8.2
161.13234	5.3
163.14879	3.5
169.10222	4.0
173.13268	7.7
179.14232	5.2
185.13342	3.1
187.14830	5.2
201.16458	2.3
241.68677	2.5
243.21057	5.9
261.22180	19.8
279.23151	6.3
299.78906	2.7
303.23303	4.2
395.13428	3.1
395.22089	5.9
395.27966	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	395.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04797	3.5
53.03930	9.8
55.01852	4.5
55.05509	40.2
57.03445	7.3
57.07066	6.0
61.92139	3.9
63.55406	4.5
67.05506	44.9
69.03412	4.3
69.07071	22.8
71.04985	26.6
71.48363	3.9
71.48810	6.2
73.06533	4.8
79.05498	65.5
81.03400	4.0
81.07056	62.6
83.04986	76.5
83.08604	8.8
85.06528	8.1
91.05479	74.0
93.07047	76.6
94.24387	3.7
95.04965	8.2
95.08180	4.1
95.08616	46.0
97.06533	8.9
97.10142	5.5
99.08100	7.0
101.05400	6.7
101.06018	100.0
105.07034	76.2
107.04941	11.5
107.08597	56.1
109.10139	16.7
117.06997	15.9
119.08585	71.0
121.06461	5.3
121.10137	34.7
123.08077	4.9
126.00977	5.4
129.06999	13.4
131.08588	25.8
133.10129	55.8
135.08109	4.7
135.11707	39.9
137.05957	5.2
143.08496	14.1
145.10152	26.6
147.11690	43.0
149.09604	6.3
149.13255	21.9
150.54297	4.0
151.11305	5.5
157.10117	15.7
159.11723	26.4
161.13261	56.4
163.14783	7.1
171.11671	15.4
173.13220	10.1
175.01567	7.5
175.14792	25.0
183.11667	7.6
185.13234	13.3
189.12749	7.3
199.14783	12.8
213.16356	7.7
231.20966	12.5
233.11504	5.2
241.19537	33.0
256.13690	4.4
259.20575	88.3
261.22235	4.4
271.09634	5.3
275.20032	9.0
277.21628	59.5
332.35107	4.9
332.91010	4.7
359.25589	5.9
377.21667	6.0
377.26913	20.2
395.22043	13.1
395.27731	18.5
395.64441	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	395.2949
Annotation	Sargaol
Peak:m/z	Relative Intensity
51.18973	2.5
53.03955	3.2
55.01864	9.8
55.05527	15.2
57.07068	4.6
65.03934	3.1
67.05505	30.3
69.03424	5.6
69.07067	23.5
70.06573	3.4
71.08584	2.9
71.47764	2.4
71.48112	2.5
77.43877	2.1
79.05493	31.1
81.03409	8.0
81.06603	3.6
81.07063	60.5
81.71037	2.8
83.04984	5.3
83.08605	7.7
85.06544	4.5
91.05486	33.0
93.07046	50.9
95.04967	8.9
95.08611	66.9
97.02885	10.6
97.06557	5.4
97.10164	5.2
99.04448	4.5
99.08080	10.6
100.11266	2.4
103.05474	6.3
105.07034	59.0
107.04941	13.9
107.08598	64.0
108.08900	2.6
109.02895	3.0
109.06516	5.2
109.10159	45.0
111.00804	5.6
111.08094	4.9
115.05400	3.8
117.07039	12.5
119.08595	53.2
121.06528	5.6
121.10162	50.4
121.11026	3.3
123.08102	4.6
123.11698	15.3
125.05946	2.7
125.09599	2.9
127.03942	3.1
128.06232	3.3
129.06982	8.9
130.07790	3.5
131.04921	8.1
131.08571	26.9
133.10133	35.9
135.08009	2.4
135.11694	27.4
137.05983	5.4
137.13274	4.8
141.07033	3.5
143.08571	16.3
144.09375	4.7
145.10121	48.1
147.04410	5.4
147.08067	3.4
147.11681	34.4
149.02287	3.3
149.13281	26.0
155.08574	4.7
156.09326	3.3
157.10141	22.3
158.10861	5.5
159.08096	4.2
159.11688	41.3
160.12448	3.9
161.09628	3.1
161.13266	29.5
163.11156	3.8
163.14792	8.7
169.10109	7.1
170.10818	3.8
171.11723	23.4
172.12529	3.1
173.09662	3.9
173.13245	28.5
174.13974	3.3
175.11241	3.9
175.14828	26.0
177.16377	4.8
181.10097	2.9
183.11682	10.8
185.13275	18.6
186.14064	3.1
187.14815	37.6
189.16362	23.2
191.10620	5.4
191.17934	11.1
193.04955	4.5
195.11710	4.8
197.09552	5.1
197.13231	9.7
199.14792	12.2
201.16403	29.0
203.17990	9.3
207.13742	4.3
211.14825	10.1
213.12747	2.9
213.16391	11.0
215.10626	2.8
215.17992	8.4
225.16385	6.9
226.17097	2.8
226.55362	2.5
227.17937	13.2
229.19551	3.8
233.15305	3.2
239.17879	7.6
241.19576	9.9
243.21005	2.7
253.19513	8.8
255.21201	12.5
257.15353	3.9
267.21118	4.2
271.17038	3.3
281.22656	9.9
285.18417	4.2
295.24271	13.4
296.25015	31.9
297.25748	24.7
325.21695	3.2
349.29147	5.0
377.28384	4.8
395.29413	100.0
396.29968	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	395.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01867	4.4
55.05518	14.5
56.08480	2.5
57.07079	5.4
59.63881	2.5
65.31287	2.7
67.05514	29.9
69.03428	6.5
69.07079	23.6
70.06586	3.9
71.04987	2.8
79.05496	27.0
81.07059	49.1
83.04980	8.3
83.08620	8.5
89.03898	10.7
91.04984	3.5
91.05495	29.1
93.07048	43.3
95.04962	5.2
95.08612	61.8
97.02883	9.7
97.06563	3.8
97.10157	3.3
99.04427	3.7
103.05487	3.7
105.07041	45.4
107.04945	11.2
107.08593	59.3
109.06525	5.6
109.10170	39.0
111.08053	3.3
111.31062	2.4
115.05466	4.9
117.03388	27.1
117.07027	14.5
119.04935	5.7
119.08602	46.0
121.06510	5.9
121.10164	36.1
123.08079	4.7
123.11693	12.5
125.06029	3.8
128.06194	3.3
129.07001	8.1
131.04962	4.5
131.08563	28.7
133.06459	2.8
133.10135	39.5
134.03622	2.8
135.11696	26.8
135.47989	2.5
137.13280	4.9
142.07797	5.6
143.08578	18.0
144.09338	3.5
145.02846	45.3
145.10129	50.3
147.04408	8.8
147.11673	30.9
149.05986	12.3
149.13277	21.0
151.07504	3.4
155.08536	5.0
157.10139	19.6
158.10861	3.7
159.11682	35.1
160.12335	3.0
161.09677	3.2
161.13248	24.0
163.11226	4.6
163.14821	7.5
167.68886	2.5
169.10156	5.1
171.11691	18.0
173.09619	5.9
173.13298	32.1
175.14841	20.4
177.05482	87.5
177.16290	4.7
183.11775	7.7
185.09615	4.0
185.13254	19.7
187.11174	7.0
187.14790	32.4
188.53719	2.8
189.16377	20.6
191.10701	5.6
191.17944	13.1
195.11588	3.8
197.13304	4.1
199.14810	11.6
201.09172	8.0
201.16385	26.1
203.17973	9.7
205.12151	4.3
207.13803	4.5
211.14806	6.5
213.16435	8.4
215.10628	3.4
215.17938	5.1
225.16434	6.3
227.17929	11.2
233.15253	4.7
237.16481	3.7
239.18062	9.6
241.19461	8.6
253.19478	10.4
255.21046	11.6
273.18503	3.2
281.22650	7.7
295.24200	16.4
296.25009	31.4
297.25797	23.6
325.21555	4.0
349.28928	4.0
377.28333	4.2
395.29459	100.0
396.29919	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	395.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.1
57.07085	4.4
67.05508	9.7
69.03437	3.9
69.07072	18.3
69.32191	21.8
69.32594	6.3
70.06581	4.9
71.04995	13.7
73.06529	2.6
79.05490	3.6
81.07053	24.8
85.06547	100.0
86.09698	3.9
89.10738	2.9
91.05483	3.9
93.07052	18.3
95.04974	3.0
95.08612	21.2
97.06516	16.5
99.08081	7.6
105.07024	11.9
107.04973	4.8
107.08616	18.7
109.10156	11.1
111.08078	12.3
111.11684	3.1
119.08585	9.3
120.08038	3.3
121.10141	18.9
123.11714	23.2
127.11168	6.4
131.08597	4.0
133.10089	16.0
135.11690	8.9
139.11200	6.4
141.12750	12.8
145.10110	11.5
145.48027	2.9
147.11653	5.9
149.13242	5.6
151.11180	14.5
153.12733	3.1
159.11714	7.8
161.13272	3.6
165.12790	3.1
175.14804	6.7
189.16347	5.2
193.15866	4.0
201.16437	4.5
219.17467	10.1
237.18497	76.4
255.19543	18.1
275.23627	3.4
305.24738	9.3
323.25897	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	395.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19985	1.8
55.01877	1.9
55.05508	4.8
55.14573	1.3
57.07080	3.0
59.68778	1.5
67.05518	7.6
69.03423	1.8
69.07081	12.9
70.06598	1.8
70.27374	6.2
71.04996	12.8
79.05492	6.5
81.07065	21.2
83.04992	3.1
83.08607	2.6
84.08128	1.4
85.06548	100.0
91.05476	5.5
93.07043	14.1
95.04970	6.1
95.08620	13.2
97.06537	17.0
99.08082	2.6
101.06008	1.6
103.05480	3.5
105.07024	10.4
107.04976	4.1
107.08593	19.0
109.06517	1.7
109.10150	5.3
110.07169	7.4
111.07441	2.6
111.08078	4.0
111.11700	2.9
119.08597	9.6
121.10140	11.5
123.08067	1.8
123.11725	21.9
125.09628	2.2
127.11192	5.8
131.04929	4.1
131.08585	2.4
133.10132	13.7
135.11702	5.5
137.09593	2.0
137.13293	2.3
139.11195	9.3
141.12755	14.5
143.08156	2.1
145.10106	9.4
147.11728	5.0
149.06012	4.0
149.13263	4.6
151.11197	12.7
153.12691	3.3
156.07684	3.2
159.11748	6.7
161.13268	2.9
165.12834	2.0
169.12282	2.3
173.09631	2.8
173.13341	2.8
175.14841	5.3
183.13861	3.1
189.16356	2.6
191.10721	5.1
191.17865	2.8
193.15892	4.8
201.16417	4.3
211.16972	2.7
219.10228	5.8
219.17493	13.3
237.18515	88.2
238.18796	2.4
255.19537	13.8
275.23895	2.2
287.23776	1.8
293.24796	3.0
305.24847	7.0
323.25870	4.2
330.37225	1.4
395.20807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.3
55.05517	17.0
57.07076	19.3
57.19238	2.0
59.71030	2.3
59.84091	2.0
60.37134	2.1
61.16512	2.0
63.10367	2.1
67.05508	27.1
67.21070	2.4
69.07074	31.1
71.08649	16.4
71.33429	2.9
71.33768	2.1
72.95173	1.9
79.05490	18.4
81.07059	63.8
83.08626	13.4
85.10178	9.1
91.05480	28.1
93.07049	22.2
95.08614	46.4
97.10174	13.7
105.07034	41.8
107.08585	24.5
109.10163	22.7
111.11731	7.2
115.05453	2.6
117.07011	20.2
119.08576	22.0
121.10102	10.5
123.11705	11.1
125.13301	2.6
126.02710	2.2
129.07022	6.0
130.07777	2.9
131.08565	22.7
133.10136	37.5
135.11685	9.2
137.13266	4.5
142.07747	2.8
143.08583	8.8
144.09341	3.9
145.10133	60.1
147.11696	26.4
149.13295	5.1
157.10141	13.9
159.11713	38.2
161.13252	12.7
163.14867	3.8
165.16380	2.8
171.11707	4.6
173.13278	10.5
175.14871	4.9
177.16408	3.6
185.13275	8.8
187.14787	5.0
199.14835	6.0
201.16402	4.2
213.16362	5.1
227.17906	4.5
229.19597	3.1
241.19559	3.9
247.24251	3.9
255.21033	3.8
275.27466	3.0
289.29105	2.9
297.25537	2.5
301.28949	2.7
342.06320	2.3
395.36780	100.0
396.37155	5.1
396.41742	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	396.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05510	2.4
56.05034	3.7
57.07067	1.7
60.04529	64.0
62.01007	0.7
67.05499	2.8
69.07069	2.6
69.81447	3.6
70.06608	0.9
71.08637	0.8
72.04501	0.7
74.06081	1.1
79.05489	3.4
81.07050	2.8
83.08620	2.4
86.06059	0.7
91.05490	1.6
93.07044	2.4
95.04987	1.7
95.08620	3.7
97.10191	0.9
105.04529	0.8
105.07025	1.3
107.04961	100.0
107.08600	1.0
108.05317	1.0
109.10168	2.1
119.08516	1.3
121.10168	1.4
123.08166	0.8
133.10178	0.8
135.11696	1.0
151.64680	0.6
153.19412	0.6
160.19884	0.7
190.29922	0.7
215.07191	0.7
224.23810	2.0
226.25116	0.7
236.23718	2.0
242.24847	2.5
254.24756	8.9
272.25806	10.9
290.26904	80.9
291.27161	1.9
301.38672	0.7
396.31152	10.4
423.73056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	12.3
67.01793	1.0
69.03418	1.7
70.06594	2.3
71.47855	1.8
75.89662	1.2
84.96024	3.3
85.02951	2.9
97.02890	1.7
98.97596	51.3
110.07198	2.2
110.97575	15.7
112.99142	100.0
116.98637	7.7
124.99070	1.6
127.00678	2.2
128.98621	6.3
131.00182	47.3
140.98689	1.1
143.00185	3.2
144.98090	1.5
145.01727	2.4
146.99634	1.6
149.01222	8.3
158.99683	13.6
161.01285	2.5
170.99649	5.1
172.41722	1.1
172.94476	1.2
173.01231	30.2
175.02809	4.7
177.00722	3.5
187.02817	3.5
189.00813	2.5
191.02271	11.9
193.03856	13.2
201.00677	10.4
205.03801	2.4
205.27930	1.1
209.01222	2.1
211.04962	3.3
217.03754	1.8
219.01785	49.8
233.03374	7.6
237.02832	27.6
247.04939	1.2
249.06317	2.9
263.04462	4.2
274.54105	1.1
274.74969	1.2
275.04446	12.1
281.05508	6.4
293.05478	9.3
337.08081	95.2
338.08322	1.9
355.09125	57.1
397.10214	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	12.3
67.01793	1.0
69.03418	1.7
70.06594	2.3
71.47855	1.8
75.89662	1.2
84.96024	3.3
85.02951	2.9
97.02890	1.7
98.97596	51.3
110.07198	2.2
110.97575	15.7
112.99142	100.0
116.98637	7.7
124.99070	1.6
127.00678	2.2
128.98621	6.3
131.00182	47.3
140.98689	1.1
143.00185	3.2
144.98090	1.5
145.01727	2.4
146.99634	1.6
149.01222	8.3
158.99683	13.6
161.01285	2.5
170.99649	5.1
172.41722	1.1
172.94476	1.2
173.01231	30.2
175.02809	4.7
177.00722	3.5
187.02817	3.5
189.00813	2.5
191.02271	11.9
193.03856	13.2
201.00677	10.4
205.03801	2.4
205.27930	1.1
209.01222	2.1
211.04962	3.3
217.03754	1.8
219.01785	49.8
233.03374	7.6
237.02832	27.6
247.04939	1.2
249.06317	2.9
263.04462	4.2
274.54105	1.1
274.74969	1.2
275.04446	12.1
281.05508	6.4
293.05478	9.3
337.08081	95.2
338.08322	1.9
355.09125	57.1
397.10214	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96304	1.0
56.96569	13.5
67.93771	0.9
68.88582	1.0
69.03413	1.3
70.06596	1.2
70.41930	2.3
73.02917	1.1
84.08105	1.5
84.96030	3.3
85.02905	2.7
97.02888	2.1
98.97588	55.2
100.97215	1.1
100.99162	1.4
110.07153	2.6
110.97576	15.5
111.97027	1.0
112.99136	100.0
116.98606	7.5
124.99112	2.4
127.00646	2.1
128.98618	6.5
131.00179	51.5
140.98567	1.2
143.00160	3.6
145.01773	2.2
146.99669	1.8
149.01247	8.7
152.98607	1.3
155.00130	1.3
157.01750	1.5
158.99673	13.6
161.01234	2.9
170.99640	3.8
173.01234	36.4
175.02762	6.4
177.00633	4.5
177.04065	1.0
182.99600	1.1
185.01151	1.3
187.02765	2.2
189.00774	2.0
191.02261	10.6
193.03857	13.6
201.00720	11.2
203.02274	0.9
205.03874	2.0
209.01224	3.7
211.04941	4.3
219.01773	43.1
220.02164	1.3
233.03342	9.7
235.04878	2.4
237.02824	26.8
240.05750	0.9
246.57407	0.9
247.04947	1.7
249.06506	4.8
250.07018	2.0
263.04407	5.2
275.04385	10.7
277.05801	1.3
279.04041	1.4
279.09180	1.1
281.05557	8.0
293.05350	10.7
337.08051	99.0
338.08456	1.7
355.09125	56.6
356.09302	1.6
397.10257	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	397.1649
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.29590	1.8
53.03956	2.1
57.03429	2.5
66.00833	1.9
66.84301	1.8
67.05491	5.9
69.03426	4.2
69.07051	6.0
70.06590	4.2
70.78930	4.7
72.08159	2.0
77.92116	1.7
79.05486	6.6
80.34332	2.0
80.81846	1.8
81.03407	3.5
81.07051	8.8
82.22218	1.7
83.04945	2.5
85.02878	1.8
86.09703	2.7
91.05483	12.9
93.07056	5.5
93.20604	1.8
94.04199	4.1
95.08575	5.1
97.06516	5.4
103.05496	4.5
105.07023	6.4
107.04960	15.1
107.08601	3.0
109.02867	2.5
109.06513	3.7
109.10136	4.7
115.05437	2.8
117.07016	3.1
119.04927	8.8
119.08597	4.2
121.02871	3.4
121.06529	4.9
121.10134	2.5
122.03660	9.7
123.04416	9.8
123.08044	2.3
125.05968	1.8
127.03945	3.1
128.06181	4.5
129.06992	9.9
131.04921	5.9
131.08553	8.7
133.10107	4.3
135.04343	2.2
135.08028	1.9
136.36511	2.0
137.05988	92.5
141.06975	3.8
142.07762	3.4
143.08588	3.2
144.05743	3.4
145.06497	4.5
147.04385	4.6
149.05968	6.9
151.03951	2.0
151.07558	13.2
153.07031	3.4
155.08575	5.5
157.06555	3.6
158.07202	3.0
159.08046	8.7
159.11804	2.0
161.06007	13.6
161.09601	3.9
165.06961	5.3
167.07018	2.1
167.08510	2.6
169.06465	3.6
171.08041	4.1
172.08829	4.6
173.06035	2.3
173.09647	3.4
175.07603	4.1
175.11183	2.8
179.08598	2.3
181.06419	4.2
182.07245	8.7
183.08051	6.6
184.08821	3.0
185.09651	12.4
186.06752	2.4
187.07553	4.4
187.11203	4.6
188.77512	2.2
189.09044	2.4
189.12695	2.6
191.07036	6.6
193.15881	2.5
194.07306	4.3
195.08020	5.1
197.09666	11.5
198.06754	18.1
199.07513	10.8
199.11119	2.4
200.08359	2.6
201.09088	6.7
205.08578	2.4
211.07486	5.8
212.08289	4.8
213.09099	23.1
214.09654	2.3
215.10660	11.3
219.10204	4.7
225.09152	12.2
231.08037	2.8
243.10187	17.2
245.09735	4.4
248.08241	3.1
249.14670	4.2
255.10223	10.5
257.09604	4.0
258.10333	2.4
261.09109	4.4
262.09805	3.3
264.07782	4.8
265.08487	2.2
271.07550	2.3
273.11279	69.5
273.80469	2.1
275.10681	5.1
276.07986	4.1
277.08737	5.2
277.12186	2.9
285.08997	4.0
286.09744	2.1
288.07855	2.3
289.08624	4.2
289.12106	2.4
291.10016	8.3
293.08331	2.8
293.13626	7.6
301.08749	2.9
302.09473	3.2
303.10120	7.9
305.08371	2.6
305.11612	4.2
306.08826	3.1
307.09540	12.2
308.10388	7.5
317.11691	5.9
319.09579	3.6
320.10062	2.3
321.11142	7.0
325.10486	3.1
329.11429	2.4
333.11295	4.4
334.11789	3.2
335.12793	6.9
336.13397	2.4
339.12436	3.0
349.14243	9.1
351.12213	10.4
351.15994	2.3
353.15802	2.9
354.14624	17.3
361.14355	3.4
367.15366	4.9
379.15363	12.9
397.16522	100.0
397.25528	39.7
398.16534	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	397.2739
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
50.10032	0.6
53.03938	2.2
55.01873	1.2
55.05508	2.2
60.86905	0.6
65.03947	1.5
67.04546	0.6
67.05504	8.2
69.07074	1.8
69.90160	3.4
72.35151	0.6
75.40666	0.6
76.29733	0.6
79.05495	22.7
81.07059	100.0
82.07406	1.0
83.08625	1.3
85.06530	1.8
91.05489	11.9
92.73013	0.6
93.07044	7.8
95.04971	1.9
95.08607	8.3
97.06571	1.1
98.21501	0.9
105.07039	8.2
107.08602	10.4
109.06522	42.9
109.10162	5.3
111.08101	1.3
114.38039	0.6
117.07027	2.9
119.08582	9.5
121.06554	0.9
121.10144	4.6
123.08081	3.5
123.11709	2.6
125.09652	1.1
128.06084	0.6
129.06996	1.0
131.08585	5.2
133.10129	9.1
135.08054	10.3
135.11716	2.8
137.09651	2.1
139.11212	1.3
143.08548	3.1
145.10107	6.6
147.11705	4.2
149.09644	3.5
149.13252	1.3
151.11234	2.0
155.08505	0.8
157.10136	4.5
159.11713	7.3
161.09679	2.1
161.13297	3.6
163.11183	3.2
165.12732	0.8
169.10196	1.5
170.10963	0.7
171.11629	3.5
173.11844	0.8
173.13271	4.3
175.11244	2.2
175.14838	1.5
177.12755	1.8
179.10728	1.9
182.10945	0.8
183.11742	2.0
185.13254	4.0
187.11214	1.4
187.14830	4.8
189.12778	2.6
191.14348	1.0
193.12283	1.0
195.11725	0.9
197.13268	2.9
199.14839	1.6
201.12715	2.4
201.16359	1.7
203.14326	4.2
203.18048	0.9
205.15912	1.7
209.13246	1.2
211.14857	1.4
213.16382	3.0
215.14281	1.9
219.17639	1.1
223.14926	1.1
225.16280	1.1
227.14357	1.9
227.17982	2.1
229.15976	0.9
229.19562	2.1
231.17441	2.2
237.16600	0.8
241.15904	1.0
243.17386	1.3
243.21265	1.0
245.19099	2.4
247.20621	0.9
253.19403	1.1
259.20618	1.9
267.17480	0.8
269.19354	0.9
271.20587	6.3
289.21631	13.3
289.24649	1.1
309.22092	1.7
311.23566	1.1
335.23624	1.3
337.25317	2.3
353.24820	2.6
355.26404	1.0
361.25226	1.3
379.26324	7.1
397.27402	69.4
398.27631	1.8
418.93741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2739
Annotation	Estradiol 17beta-cyclopentylpropionate
Peak:m/z	Relative Intensity
53.03938	5.5
55.05515	23.9
56.52148	2.0
65.03938	3.5
67.05188	2.6
67.05507	36.8
68.74182	2.1
69.07076	17.5
69.67399	5.3
69.67802	9.1
71.04955	3.4
79.05489	18.0
81.06602	2.7
81.07059	50.3
83.04960	2.4
83.08641	5.2
91.05490	19.3
93.07043	25.1
95.08072	3.1
95.08617	42.6
97.10156	4.5
103.05468	4.1
105.07026	15.9
107.01846	2.5
107.04939	8.8
107.08620	12.5
109.10166	19.3
115.05441	4.9
117.07028	11.1
119.08595	16.4
121.06516	90.1
121.10160	14.2
123.11697	6.8
128.06197	8.6
129.07016	20.0
131.08595	16.8
133.06477	9.4
133.10130	11.8
135.08070	13.6
135.11702	6.0
141.06978	10.2
142.07767	6.6
143.08603	18.2
144.05676	5.1
145.06482	31.8
145.10106	7.6
146.07256	3.7
147.08054	52.9
147.11635	6.1
149.09607	4.9
151.11162	2.7
152.30400	2.3
153.06993	5.1
155.08524	8.2
156.09317	2.2
157.06500	70.7
157.10118	9.5
158.07315	16.4
159.08049	58.7
159.11656	6.1
160.08751	3.7
161.09634	27.7
163.11259	3.0
165.07039	5.2
166.07565	2.4
167.08563	7.2
169.06456	6.5
169.10155	3.4
170.07281	7.8
171.08057	100.0
171.11708	6.3
172.08769	5.2
173.09634	34.0
173.13252	2.1
175.11157	12.1
179.08530	6.0
181.06363	3.5
181.10121	5.1
182.07295	3.6
183.08063	29.6
183.11629	3.1
184.08842	11.2
185.09616	48.5
185.13301	2.5
187.11200	25.1
189.12679	13.2
193.10213	3.4
195.08015	3.4
195.11656	3.8
197.09636	31.5
198.10339	7.2
199.09497	4.0
199.11194	43.0
201.12805	15.5
207.11714	3.4
209.09488	2.5
211.11208	23.7
212.11919	2.4
213.12752	52.1
215.14290	18.0
225.12784	21.2
227.14333	28.4
227.16338	4.1
229.16042	2.6
239.14308	17.7
241.15894	16.7
243.17403	3.7
253.15857	10.5
255.17494	10.6
263.17624	2.7
267.17508	11.5
269.18942	8.7
281.19037	7.1
283.20621	3.7
291.17422	2.9
294.32391	2.4
295.08237	2.2
309.18649	10.4
309.21780	3.2
323.20071	5.1
327.19550	2.1
351.26862	60.3
352.26978	2.4
361.25098	8.7
362.34702	2.5
379.26358	40.2
397.27304	71.3
397.32083	4.2
398.27643	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	397.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.0
55.05513	32.5
67.05506	74.8
69.07070	8.3
69.19240	15.3
69.19662	13.4
71.04993	28.8
73.06559	3.0
75.10023	2.5
79.05502	29.0
81.07066	77.6
83.04993	71.3
83.08617	5.3
85.06568	3.6
91.05482	20.4
93.07061	43.3
95.04972	4.8
95.08611	66.6
101.06025	100.0
105.07008	13.9
107.08595	29.4
107.10512	3.0
109.06554	3.3
109.10168	34.6
117.07053	7.1
119.08590	14.7
121.10136	22.3
123.11697	17.8
131.08546	14.7
133.10143	10.1
133.27029	2.9
135.11732	16.2
137.13239	6.9
143.75433	2.9
145.10161	10.6
147.11688	6.8
149.09634	3.0
149.13278	13.0
159.11726	9.8
161.13286	8.5
163.14844	6.3
164.79816	2.9
173.13206	7.7
175.14757	3.3
201.16406	4.9
209.32924	2.9
233.32498	3.0
235.14171	3.7
243.21144	10.4
261.22150	47.8
279.23199	37.7
379.28320	4.3
397.28085	3.0
397.30161	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	397.3103
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.08834	1.7
53.03944	2.6
54.08974	1.8
55.05515	14.5
55.09057	1.7
55.14646	1.6
57.03442	2.2
57.07063	4.4
67.05510	25.1
69.07068	15.1
69.83846	7.1
71.04999	2.4
79.05500	22.5
81.06597	3.4
81.07059	66.9
83.04971	3.1
83.08608	7.5
85.06544	18.0
91.05488	16.3
93.07048	37.9
95.08606	43.6
97.06500	4.1
97.10140	3.4
98.20875	1.9
99.04431	5.5
101.06001	4.3
101.19462	1.8
105.07031	38.5
107.07890	2.9
107.08597	56.1
109.06516	7.2
109.09483	2.4
109.10164	30.8
117.07018	5.4
119.08586	40.9
121.06465	2.1
121.10151	36.0
123.08057	3.0
123.11696	11.2
127.07554	7.5
129.07001	4.4
131.07729	2.2
131.08577	18.9
133.10135	29.9
134.23688	1.7
135.08026	2.6
135.11705	18.7
137.09616	2.4
137.13239	5.3
141.07013	1.7
142.07777	2.5
143.08543	10.8
145.10132	29.0
147.11700	26.2
149.02350	1.8
149.09599	4.5
149.13271	18.0
151.11128	2.1
156.09274	3.0
157.10098	17.7
158.10924	2.1
159.11702	37.8
161.13245	21.2
163.11108	2.6
163.14859	10.0
167.10628	6.5
169.10103	3.2
171.11684	15.0
173.13271	24.9
175.14864	11.0
177.12794	2.6
177.16403	2.4
183.11722	3.2
185.13242	7.2
187.14822	17.6
189.12843	2.4
189.16405	15.9
191.17879	4.6
193.12201	2.4
199.14833	9.8
201.16394	15.1
203.17960	8.5
207.13708	2.8
211.14822	3.5
213.16362	15.7
215.17924	14.7
217.19476	2.3
221.15347	2.8
225.16330	1.8
226.60272	1.9
227.17958	16.8
229.19565	7.8
233.15404	2.6
235.16878	3.0
241.19537	6.1
243.20930	1.9
255.21155	9.0
257.22571	8.3
269.22641	9.0
270.23325	3.0
273.18317	2.8
275.19778	1.9
283.24213	9.5
287.19977	4.8
289.21710	2.4
327.23196	2.5
341.24609	4.4
379.29755	4.2
397.30960	100.0
398.31213	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	397.3467
Annotation	Ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03946	3.5
55.05523	20.1
56.99546	1.8
57.07093	10.0
57.07320	2.1
59.04988	2.8
67.05508	30.0
69.07075	33.9
70.73287	2.1
70.73620	4.9
71.04983	7.5
71.08649	3.5
72.04517	14.6
74.30318	1.7
74.45029	1.7
79.05489	20.3
81.06593	3.6
81.07058	63.8
81.07536	4.3
83.04932	2.1
83.08614	15.4
85.06532	5.6
86.09702	33.6
91.05474	18.3
93.06483	4.0
93.07047	43.3
95.04963	2.2
95.08608	76.6
97.06551	2.7
97.10201	11.2
99.08105	8.9
105.07040	33.9
105.07719	3.9
107.08592	60.5
107.70415	2.0
109.10155	48.0
111.08132	2.2
113.09651	12.0
117.07052	4.9
119.08582	43.8
121.10146	43.1
123.08071	1.8
123.11709	25.1
123.29467	1.9
125.09686	2.1
131.08586	11.5
133.10127	42.5
133.11104	2.9
135.11702	31.2
137.13257	7.9
139.11252	3.3
143.08565	5.5
144.09364	2.3
145.10123	28.0
147.11679	34.0
149.13257	20.6
151.14832	3.8
156.09218	2.3
157.10110	7.6
158.29485	1.8
159.11707	37.5
161.13254	32.3
163.14807	15.4
169.10138	3.1
171.11707	7.4
173.13258	29.4
175.14799	16.6
177.12805	2.2
177.16391	8.6
183.11751	2.3
183.32426	2.1
185.13278	7.1
187.14806	19.6
189.16376	17.8
191.17950	2.8
197.13377	2.4
199.14841	7.2
201.16420	16.9
203.17972	16.5
211.14853	2.4
213.16402	7.1
215.17952	16.7
217.19514	8.4
227.10582	2.1
227.17984	6.8
229.19514	9.6
231.21225	4.2
241.19511	2.8
243.21066	5.0
245.22769	5.2
255.21095	4.4
257.22690	8.8
259.20663	2.4
265.92307	2.1
269.22586	4.2
271.24225	11.6
273.22195	2.3
281.22638	2.7
283.24228	3.5
286.89386	2.5
295.24457	2.0
297.25845	3.1
301.25137	4.2
323.27347	4.2
327.26767	2.5
339.30511	7.5
341.28506	5.9
355.30167	2.7
379.33609	16.2
397.26129	3.9
397.34714	100.0
398.35303	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	397.3464
Annotation	CHEBI:70316
Peak:m/z	Relative Intensity
55.05513	16.8
57.07076	8.4
63.32965	3.0
67.05511	25.4
69.07074	50.7
71.04998	5.3
71.08612	5.5
71.49052	5.2
71.83045	3.2
79.05505	22.6
81.06590	7.0
81.07055	100.0
83.08616	17.5
85.06539	9.1
86.09705	92.6
91.05482	18.3
93.07042	47.5
95.04986	3.2
95.08607	71.6
97.10191	7.7
99.08115	7.0
105.07034	39.3
107.08593	43.7
107.40759	3.6
109.10167	46.9
111.11765	6.1
113.09638	9.6
117.07040	5.2
119.08575	43.3
121.10161	39.1
121.86344	3.5
123.11723	21.9
131.08600	16.4
133.10124	32.8
135.11685	31.7
137.13283	7.4
143.08612	7.9
145.10136	25.1
147.11696	33.5
149.13214	17.9
157.10139	13.2
159.11705	27.2
161.13255	24.6
163.14850	12.9
171.11661	9.5
173.13251	22.6
175.14767	19.3
177.16304	6.8
183.11708	6.1
185.13274	15.6
187.14871	16.3
189.16399	13.2
197.13316	4.0
199.14795	10.8
201.16386	14.6
203.17856	5.6
211.14911	5.5
213.16487	5.3
215.18001	10.0
217.19528	11.4
219.17493	3.9
227.18001	9.2
229.19447	11.8
241.19511	4.1
243.21086	6.5
255.21092	5.5
261.90021	3.5
271.24258	4.8
287.23785	3.6
313.46518	3.5
323.27554	4.4
324.32605	5.4
327.30560	4.0
336.64325	3.5
339.30350	11.0
379.33704	20.3
397.30377	4.4
397.34750	57.1
398.35056	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	397.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22775	1.6
54.27850	1.5
55.05505	10.7
57.07074	14.6
67.05510	28.8
69.07072	30.5
71.08630	14.1
72.10709	1.8
79.05491	13.7
81.06591	3.8
81.07059	54.1
83.08616	14.2
85.10187	10.7
86.09717	8.2
91.05479	13.8
93.07050	24.7
95.08610	46.1
97.10168	13.5
105.07038	32.2
107.08591	25.9
108.56593	1.5
109.10152	39.6
111.11740	6.3
117.07010	3.9
119.08583	26.0
121.10138	15.9
123.11718	17.4
125.13271	1.8
131.08546	5.0
133.10133	18.4
135.11691	34.8
137.13263	4.3
145.10114	5.0
147.11693	56.5
149.13284	19.0
151.14781	2.8
159.11679	9.2
161.13260	36.8
163.14850	6.1
165.16357	2.9
173.13312	5.5
175.14847	18.2
177.16397	3.2
187.14862	4.7
189.16400	8.9
200.45688	1.8
201.16371	5.1
203.17953	11.0
215.17979	5.9
217.19563	3.3
229.19566	5.5
243.21045	8.9
257.22662	5.7
261.25903	3.7
273.25656	2.5
287.27344	5.5
301.28989	2.3
315.30487	4.3
338.07904	1.9
378.93396	1.7
397.29849	3.3
397.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00754	0.7
53.03928	1.0
55.01863	1.4
57.03420	2.3
61.02918	2.1
66.93244	0.8
69.03429	8.6
70.06597	9.3
70.87848	1.7
71.01373	0.8
71.04982	1.5
72.08147	1.9
72.78143	0.8
73.02906	0.7
81.03418	3.2
83.01311	0.8
84.08141	1.6
85.02906	19.1
85.92104	0.9
86.06049	2.4
86.09683	1.1
87.04439	1.2
89.58444	0.8
91.03940	0.9
97.02892	6.8
99.04457	1.3
103.05460	0.9
107.04958	5.5
109.02888	1.9
109.71924	0.7
110.07153	2.9
112.68969	0.7
115.07612	0.9
115.13567	0.6
116.04981	0.7
116.07079	0.8
117.05817	1.0
118.06863	4.7
124.09697	0.7
127.03929	3.1
130.05020	1.2
131.04903	0.7
131.07306	1.0
132.08087	2.3
132.23517	0.7
145.04967	1.9
146.05951	0.7
147.04375	0.8
147.07675	1.1
154.06506	0.8
155.11909	0.9
159.06796	17.2
160.07619	4.7
162.05524	0.7
170.06062	3.7
172.07579	34.2
173.07892	1.2
174.05434	0.7
188.07069	77.5
189.07451	1.9
200.07091	13.4
218.08124	24.9
235.61644	0.9
236.09181	100.0
237.09474	2.3
292.13287	5.6
351.42358	0.7
380.13483	1.4
381.28735	1.1
398.14343	11.9
398.19241	1.1
398.31143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48976	0.3
56.96296	0.5
56.96566	6.9
71.47504	0.4
71.95269	2.5
91.65852	0.3
98.97586	94.9
99.97962	0.3
112.40974	0.3
115.26394	0.3
115.54453	0.3
116.98626	35.5
130.93283	0.8
134.99655	8.0
140.00212	0.6
153.00670	0.4
154.93323	0.6
158.01260	0.4
172.94365	5.3
190.95433	2.8
201.56305	0.3
208.96512	0.6
214.95392	4.5
232.96461	6.2
250.97517	2.1
256.96457	18.6
258.99796	3.1
261.03101	0.7
274.97513	100.0
275.97903	1.1
276.97992	0.5
277.00790	2.9
282.99948	0.5
292.98566	43.7
293.99039	0.7
294.99078	0.5
297.99051	2.0
298.97839	0.8
301.01044	0.4
316.00388	0.4
316.98843	1.0
341.38083	0.3
374.99496	0.3
398.08286	0.3
398.97766	1.3
416.98792	2.2
420.25604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97336	5.7
56.05038	11.9
56.96556	18.7
57.03431	9.4
61.02919	18.7
69.03432	31.1
69.99271	26.5
70.06601	16.6
70.14495	7.2
81.03409	11.0
85.02908	54.2
86.09682	6.4
87.04453	6.3
91.03922	7.1
97.02896	80.0
98.97581	50.5
101.00890	8.3
102.05527	18.0
105.07027	7.9
107.04967	15.3
110.97568	10.9
113.05500	7.9
116.98640	13.4
119.01861	12.2
123.90195	5.9
127.03922	19.1
128.98619	14.9
136.06207	63.9
136.07155	8.7
143.01912	11.7
145.04993	10.8
147.03128	9.9
149.01201	13.1
153.35602	6.5
156.03653	13.3
158.99672	32.6
170.99661	9.1
173.01210	8.7
177.00731	16.8
178.04961	6.3
189.00783	10.0
203.04213	6.1
219.01765	19.3
228.05772	41.6
237.02596	7.2
237.06502	7.7
245.05118	7.5
249.02704	6.2
250.07285	7.7
250.09402	63.9
261.02823	10.0
271.05933	6.8
279.03778	16.5
339.05597	8.4
345.04611	9.2
346.04880	9.7
347.04541	7.4
367.84229	7.1
399.06522	10.3
399.10583	100.0
399.83322	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	399.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01876	1.9
55.05506	4.1
57.03423	1.0
57.07090	1.0
67.05511	5.8
69.03433	5.2
69.07074	5.0
69.07932	0.8
69.71199	3.7
69.71611	1.8
70.06592	2.8
71.05001	0.9
71.08624	1.1
77.03932	1.1
79.05497	3.8
81.03419	6.7
81.07053	8.9
81.84291	0.8
83.04969	1.6
83.08608	2.9
85.02919	4.0
91.05482	10.3
93.07050	5.3
95.04989	3.7
95.08612	7.2
96.08958	1.0
97.02880	1.6
97.06513	2.3
97.10165	1.7
99.04461	1.6
101.05982	1.1
103.05468	6.9
105.03402	7.9
105.07035	4.6
107.04961	35.7
107.08593	3.0
109.02882	2.6
109.06515	1.8
109.10172	4.6
111.04443	1.0
115.05463	22.5
117.07026	1.5
119.04903	0.9
119.08590	4.0
121.06508	2.6
121.10136	2.5
122.05991	1.3
123.08064	3.2
123.11699	2.4
127.03918	2.7
127.07584	0.9
131.04933	33.6
131.08571	3.7
133.06505	4.3
133.10124	3.0
135.08109	1.4
135.11693	1.9
137.05977	2.5
137.09669	1.0
137.13235	1.0
141.06995	1.8
143.08517	1.1
145.06503	1.6
145.10138	3.5
147.08031	1.8
147.11685	1.6
149.09615	1.1
149.13295	1.3
151.03970	0.8
157.06538	1.9
157.10139	2.3
159.08052	2.6
159.11714	2.3
161.09602	1.6
164.29015	0.7
165.06993	2.8
165.09053	1.0
166.07756	5.1
167.07097	1.5
167.08591	1.8
171.07997	1.3
171.11627	1.4
177.05457	3.8
178.96120	0.7
179.08559	1.8
181.10100	7.5
183.08112	1.0
185.09706	1.7
187.11240	1.5
189.09052	0.9
190.07727	1.0
191.08549	4.5
194.07289	7.1
195.08038	1.6
199.11301	0.8
201.12796	1.0
209.09622	100.0
210.09979	2.3
215.18002	1.0
219.07973	0.9
231.17708	1.1
235.07568	0.9
237.09094	1.9
289.17889	1.4
367.11807	0.9
381.13358	2.0
381.24060	1.2
381.31488	1.0
399.11127	2.7
399.19461	1.9
399.24875	2.3
399.32867	1.3
424.13489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70439	1.2
52.57099	1.1
53.03952	3.0
55.05506	2.3
57.03418	1.9
61.87240	1.1
67.05495	4.9
67.69992	1.1
69.03430	14.7
69.07063	3.6
71.01340	1.3
74.62990	1.1
79.05473	3.9
81.03430	6.4
81.07060	6.0
85.02896	3.6
91.05485	10.9
93.07040	4.0
94.37568	1.1
95.04951	2.1
95.08598	4.9
97.02893	10.0
97.06542	2.2
97.58517	1.4
99.04449	1.3
103.05478	7.3
105.03384	8.8
105.07024	4.5
105.43964	1.2
107.04231	1.8
107.04959	38.1
107.08605	3.3
109.02850	2.5
109.06544	1.3
109.10172	3.5
111.04399	1.5
115.04696	2.1
115.05460	24.5
119.08591	3.4
121.06515	2.6
127.03896	5.6
129.07053	1.6
131.04936	31.0
131.08540	1.6
133.06454	3.8
133.10088	1.5
135.07991	1.5
135.11729	2.0
137.05962	1.5
145.06451	1.9
145.10094	1.5
147.04379	1.8
147.08029	1.9
147.11691	2.1
149.05936	1.3
157.06476	1.7
157.10077	1.4
161.09654	2.3
165.07028	1.5
166.07790	3.5
177.05443	3.0
179.08424	1.2
181.04950	2.2
181.10164	6.1
191.08528	2.8
194.07260	7.5
195.83502	1.1
209.09624	100.0
210.09856	2.6
217.04987	1.9
237.09154	3.8
273.03928	3.2
301.03452	3.7
302.04343	3.3
303.04935	1.9
313.03494	6.8
355.08179	4.0
380.89545	1.7
399.10654	21.9
399.32944	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	399.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10926	0.5
50.94378	0.4
53.03936	1.4
55.01862	0.5
57.03421	0.6
64.86228	0.4
67.05501	0.7
69.03433	5.4
69.07057	0.6
70.61677	1.1
71.05029	0.5
79.05469	0.6
81.03423	5.8
81.07049	0.8
85.02914	3.8
91.05483	5.6
93.07040	0.6
95.04942	0.7
95.08607	0.6
97.02879	1.4
103.05470	5.1
105.03398	8.0
105.07018	1.5
107.04959	29.5
109.02866	1.9
115.05460	25.0
115.06289	0.9
121.02946	0.6
121.06528	0.5
127.03939	2.2
131.04935	34.0
133.06476	2.2
149.05945	0.9
153.06952	0.7
159.08144	0.5
165.06987	2.2
166.07803	4.4
169.55516	0.5
177.05452	2.6
179.08531	1.0
181.06668	0.5
181.10139	7.0
189.07062	0.5
190.07822	0.5
191.08636	3.8
194.07263	8.0
195.08015	0.6
197.47398	0.4
207.08017	0.8
209.09621	100.0
210.09950	2.3
217.26576	0.5
237.09134	1.8
272.84967	0.4
381.13330	1.6
382.16562	0.5
399.14746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07858	1.0
53.03935	2.6
55.01887	1.6
55.05514	5.8
55.45992	1.3
57.03436	2.9
57.07065	2.1
60.95469	1.1
67.05516	9.3
69.03432	9.8
69.07083	6.2
71.04993	1.5
71.08619	1.9
71.48936	2.4
73.67597	1.1
75.09431	1.3
77.03992	1.2
79.05501	7.3
79.15657	1.1
81.03425	7.0
81.07067	12.9
83.04975	2.6
83.08606	3.3
83.65961	1.2
85.02892	4.4
85.06555	1.4
91.05476	14.5
93.07051	8.6
93.57945	1.4
95.04966	4.3
95.08616	13.9
97.02895	4.9
97.06507	3.0
97.10166	2.6
99.08091	1.9
103.05467	8.4
105.03399	8.7
105.07040	9.9
107.04960	36.5
107.08596	5.2
108.05300	2.7
109.02899	2.5
109.06527	3.2
109.10178	8.9
111.04438	2.4
115.05469	22.7
117.07003	2.4
119.04944	1.5
119.08597	6.0
121.06478	3.3
121.10145	5.3
123.04433	2.2
123.11734	3.5
127.03872	3.2
129.05501	2.3
129.07005	3.6
131.04935	38.7
131.08563	4.3
133.06490	4.7
133.10129	5.3
135.08075	2.6
135.11703	4.3
137.05977	4.4
141.07054	1.5
143.08585	3.6
145.06477	1.3
145.10132	2.7
147.04430	2.9
147.08121	1.2
147.11688	4.0
149.05975	2.6
149.09659	2.0
149.13264	2.0
156.09372	1.6
157.10187	2.3
159.11699	4.4
161.09621	2.4
161.13260	2.5
163.07500	1.6
165.06978	3.6
166.07774	7.5
167.08580	1.7
171.11671	1.7
173.09618	1.4
173.13281	2.5
175.11142	2.5
175.14806	1.3
177.05482	2.7
179.08549	3.4
181.04965	1.2
181.06544	1.5
181.10115	10.6
185.13158	1.6
189.09085	1.2
189.12883	1.4
189.16405	1.3
191.08517	6.7
194.07240	6.9
196.25143	1.1
199.14879	1.4
207.08139	1.7
209.09628	100.0
210.10017	3.4
215.18192	1.4
237.09055	2.0
255.10129	2.0
271.17087	1.3
285.22177	1.4
289.17993	1.9
300.24304	1.5
301.22025	2.9
381.13272	1.8
381.31592	2.2
399.11603	2.7
399.32849	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	399.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99664	0.4
53.03938	1.8
55.05503	0.6
66.39643	0.5
67.05496	1.3
67.97443	0.5
69.03432	5.6
69.07065	1.0
70.60743	1.7
71.04977	0.8
79.05470	1.6
81.03423	6.5
81.07039	2.1
83.04990	0.6
85.02912	3.2
91.05492	7.3
93.07015	1.2
95.04954	1.0
95.08606	1.5
97.02897	2.8
99.04449	0.7
103.05470	6.0
105.02837	0.6
105.03402	7.1
105.04469	0.7
105.07014	1.3
107.04961	28.0
107.08620	0.9
109.02876	2.4
109.06513	1.3
109.10182	0.8
113.79938	0.5
115.05460	24.7
115.25517	0.6
116.65271	0.5
117.07035	0.8
121.02888	0.8
121.10149	0.8
123.08122	0.5
127.03894	2.0
131.04935	38.0
133.06482	2.9
137.06009	0.7
141.07018	0.8
143.08632	0.5
145.10115	0.8
147.04408	0.7
149.05981	1.3
150.93242	0.6
153.01884	1.0
153.06963	0.8
157.06587	0.7
159.07991	0.7
159.11700	0.9
161.09608	0.9
165.07013	1.6
166.07809	4.5
173.09615	0.5
177.05527	2.9
179.08572	0.6
179.27544	0.6
181.06483	0.7
181.10115	5.5
185.09578	0.8
190.69577	0.7
191.08557	3.8
194.07277	8.5
207.08109	1.1
208.08791	0.7
209.09619	100.0
210.09981	2.0
237.09056	2.0
245.04372	0.7
273.04001	1.2
302.04169	2.0
325.41962	0.6
381.12985	0.7
389.72168	0.5
399.10342	3.6
399.15430	0.7
399.32645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01876	1.9
55.05506	4.1
57.03423	1.0
57.07090	1.0
67.05511	5.8
69.03433	5.2
69.07074	5.0
69.07932	0.8
69.71199	3.7
69.71611	1.8
70.06592	2.8
71.05001	0.9
71.08624	1.1
77.03932	1.1
79.05497	3.8
81.03419	6.7
81.07053	8.9
81.84291	0.8
83.04969	1.6
83.08608	2.9
85.02919	4.0
91.05482	10.3
93.07050	5.3
95.04989	3.7
95.08612	7.2
96.08958	1.0
97.02880	1.6
97.06513	2.3
97.10165	1.7
99.04461	1.6
101.05982	1.1
103.05468	6.9
105.03402	7.9
105.07035	4.6
107.04961	35.7
107.08593	3.0
109.02882	2.6
109.06515	1.8
109.10172	4.6
111.04443	1.0
115.05463	22.5
117.07026	1.5
119.04903	0.9
119.08590	4.0
121.06508	2.6
121.10136	2.5
122.05991	1.3
123.08064	3.2
123.11699	2.4
127.03918	2.7
127.07584	0.9
131.04933	33.6
131.08571	3.7
133.06505	4.3
133.10124	3.0
135.08109	1.4
135.11693	1.9
137.05977	2.5
137.09669	1.0
137.13235	1.0
141.06995	1.8
143.08517	1.1
145.06503	1.6
145.10138	3.5
147.08031	1.8
147.11685	1.6
149.09615	1.1
149.13295	1.3
151.03970	0.8
157.06538	1.9
157.10139	2.3
159.08052	2.6
159.11714	2.3
161.09602	1.6
164.29015	0.7
165.06993	2.8
165.09053	1.0
166.07756	5.1
167.07097	1.5
167.08591	1.8
171.07997	1.3
171.11627	1.4
177.05457	3.8
178.96120	0.7
179.08559	1.8
181.10100	7.5
183.08112	1.0
185.09706	1.7
187.11240	1.5
189.09052	0.9
190.07727	1.0
191.08549	4.5
194.07289	7.1
195.08038	1.6
199.11301	0.8
201.12796	1.0
209.09622	100.0
210.09979	2.3
215.18002	1.0
219.07973	0.9
231.17708	1.1
235.07568	0.9
237.09094	1.9
289.17889	1.4
367.11807	0.9
381.13358	2.0
381.24060	1.2
381.31488	1.0
399.11127	2.7
399.19461	1.9
399.24875	2.3
399.32867	1.3
424.13489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01869	1.5
55.05505	2.4
57.03438	6.4
57.07032	1.0
61.02907	3.4
66.75123	1.0
67.05490	2.5
69.03436	7.5
71.08640	1.2
73.02917	1.1
76.14927	1.2
76.85606	1.0
79.05495	2.4
81.03412	4.3
81.07054	6.8
85.02905	25.4
85.06550	1.5
87.04472	2.0
87.94718	0.9
90.05290	1.0
91.05490	6.1
92.65592	1.1
93.07032	5.0
94.97272	1.0
95.08593	4.1
97.02869	7.7
99.04440	3.2
102.04673	1.5
103.03951	1.5
103.05468	48.2
105.07023	3.6
107.08596	3.5
109.02869	3.4
109.10170	3.0
112.44351	1.1
115.05470	1.5
117.05517	1.3
117.07006	1.7
119.08560	3.2
121.10117	3.7
121.19839	1.1
123.11585	1.4
127.03912	9.3
130.04102	1.9
131.04932	100.0
133.06514	1.4
133.10115	1.6
135.11687	2.2
145.04918	3.4
145.10101	1.8
147.11760	1.6
148.05203	11.9
149.13220	2.2
159.11649	1.4
160.05257	1.3
161.05962	4.2
161.13237	1.4
163.06140	2.4
163.07542	49.9
175.07576	1.1
201.09129	3.2
201.16251	1.3
237.11221	2.1
250.73946	1.2
288.89365	1.0
390.63577	1.2
390.88556	1.1
399.30820	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
57.03447	7.2
59.49962	0.9
61.02925	3.0
66.91965	0.8
69.03443	9.9
70.06596	2.1
70.82600	2.6
71.05025	1.2
71.35345	0.8
73.02914	1.6
75.04493	1.3
81.03418	4.4
85.02907	24.1
87.04446	1.8
91.03986	1.4
91.05543	0.9
91.33207	0.9
97.02890	9.2
99.04454	1.7
102.04693	1.1
103.03992	1.4
103.05469	43.7
105.07017	1.2
107.04959	2.0
109.02882	3.9
117.05518	1.9
127.03911	7.0
130.04140	1.2
131.04933	100.0
132.05254	1.1
145.04964	2.5
147.04544	1.1
148.05199	11.3
160.05176	1.4
161.05989	4.8
163.07553	46.3
189.09100	0.9
201.09023	2.2
205.12267	1.6
213.82126	1.0
237.11375	1.2
277.86227	0.9
283.75784	1.0
399.15915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05523	1.4
57.03456	5.6
61.02931	1.8
68.54140	1.3
69.03435	9.6
70.06598	9.4
70.87798	3.2
71.05006	1.4
72.08162	1.7
75.04496	1.4
76.02229	8.9
79.05497	2.5
81.03424	5.4
84.04501	1.5
84.08142	1.9
84.46268	1.1
85.02912	25.0
86.09714	5.3
87.04444	2.3
89.06075	1.6
95.05000	1.5
97.02913	7.8
97.06535	10.5
99.04418	2.6
102.05574	2.2
103.03993	1.8
103.05475	52.4
103.06164	2.6
107.04967	10.1
109.02897	4.1
110.07181	2.6
112.08694	1.3
115.05467	1.2
115.21998	1.1
116.01701	1.2
120.08070	1.9
127.03942	7.3
130.04147	1.3
131.04939	100.0
135.06532	1.5
144.01163	2.0
145.04977	4.2
147.04387	1.3
147.08018	1.4
148.05212	12.1
159.07990	1.2
161.05998	5.0
162.02264	6.7
162.06795	1.6
163.06169	2.4
163.07550	43.9
175.07613	7.5
179.04857	11.6
201.09117	4.1
219.10199	2.1
224.53339	1.1
237.11301	1.7
250.09369	1.6
263.38773	1.2
293.10992	1.1
300.94125	1.1
368.36597	1.2
399.16306	2.0
399.71600	7.9
419.66229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.1
55.05506	16.8
57.07055	10.9
65.03918	5.2
67.05492	18.8
68.05040	6.2
69.03420	7.5
69.07059	13.7
71.04987	6.2
71.08628	3.6
71.49040	6.5
75.60831	3.5
79.05483	16.9
81.03435	7.0
81.07068	37.2
83.08607	10.4
84.88837	3.6
91.05487	100.0
92.05821	27.3
93.07050	35.2
95.08608	48.3
97.06509	5.1
98.59340	4.2
99.08083	8.1
105.07040	38.5
106.07384	3.7
107.05006	4.9
107.08600	49.7
108.08122	21.4
109.06500	6.8
109.08452	7.8
109.10156	34.1
110.10494	6.2
117.07022	9.8
119.08587	43.1
121.10138	23.3
123.11694	11.6
129.07028	4.8
131.08563	15.8
131.18138	3.7
133.10121	45.1
134.10426	3.7
135.07986	4.5
135.11682	15.3
143.08566	13.8
145.10155	33.3
147.11696	32.7
149.09583	6.3
149.13281	10.7
155.08531	5.7
157.10149	17.3
159.11687	25.6
161.09554	8.3
161.13278	15.9
165.12770	4.0
168.76649	3.7
169.10153	7.3
171.11687	20.5
173.13280	18.8
175.11256	6.3
175.14848	7.3
176.15222	4.9
177.12822	4.5
183.11722	9.4
185.13237	12.4
186.14063	4.2
187.14867	21.2
189.16382	18.0
197.13235	8.2
199.14749	13.0
201.16383	13.8
205.15854	6.8
209.13257	6.2
211.14735	7.5
213.16354	11.8
215.17984	5.3
217.15894	6.0
225.16495	6.7
227.17972	6.6
249.16374	3.9
295.24219	9.3
311.20081	8.9
313.25290	23.2
363.26810	13.2
381.27759	40.9
399.21585	4.8
399.30963	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2897
Annotation	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
Peak:m/z	Relative Intensity
53.03938	3.7
55.01873	2.0
55.05507	9.8
57.07071	4.1
65.03946	3.0
67.05508	16.4
69.03403	1.7
69.07071	9.3
70.16861	1.7
71.04980	1.9
71.49225	2.6
74.52162	1.5
79.05078	2.5
79.05492	31.7
81.03436	2.2
81.07058	100.0
82.75916	1.5
83.08604	4.4
85.06522	3.4
91.05486	36.2
93.07043	28.0
95.04948	3.2
95.08609	28.1
97.06516	2.8
97.10169	1.7
103.05483	2.0
105.07037	40.3
107.04961	2.9
107.08597	34.0
109.05833	1.8
109.06528	35.3
109.10161	22.7
115.05433	2.0
117.07024	14.9
119.08585	42.0
121.06504	3.8
121.10151	27.0
123.08031	5.6
123.11714	10.5
128.06230	3.6
129.06992	8.3
131.08565	30.2
132.09369	1.8
133.10130	49.9
135.08043	15.1
135.11673	15.6
137.09663	2.3
137.13245	4.2
143.08591	8.1
145.10124	20.4
146.43341	1.7
147.08018	3.3
147.11668	15.3
149.09630	12.6
149.13232	6.5
151.07581	2.2
151.11171	8.3
155.08542	4.7
157.10146	13.3
159.11725	17.4
161.09618	35.7
161.13194	10.2
163.11176	3.2
163.14790	4.2
169.10121	3.8
170.10922	2.0
171.11743	12.0
173.09605	4.7
173.13278	13.6
175.11194	18.3
175.14902	8.5
177.12766	4.6
177.16362	4.9
183.11665	6.3
185.13297	9.5
187.11195	2.0
187.14874	9.1
189.12814	2.8
189.14737	3.1
189.16354	22.3
191.10570	2.2
191.17911	5.6
193.10249	1.7
193.12248	6.1
195.11710	2.3
197.13258	5.5
199.14781	7.0
201.12660	5.8
201.16374	7.6
203.14339	2.9
203.17982	5.6
209.13277	3.5
211.14763	4.1
213.16443	4.3
215.17978	8.6
217.15829	2.1
223.14819	2.7
225.16342	2.6
227.14310	4.5
227.17934	4.1
229.19461	8.6
241.15834	3.2
245.19008	2.1
251.17906	2.3
255.21080	2.6
259.20541	2.8
271.20465	2.7
273.22159	5.7
319.24210	5.0
329.47488	2.0
335.26852	2.5
337.25223	7.3
345.26010	2.2
353.28345	6.3
355.26212	8.7
363.26791	23.6
381.23190	3.1
381.27832	44.5
381.31400	1.7
399.28833	89.3
400.29330	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05515	22.0
57.07070	4.8
59.05005	2.1
64.07159	1.8
67.05506	27.6
69.07067	26.8
71.04989	2.2
71.08619	1.7
71.18466	1.6
71.48904	1.7
77.03928	2.2
78.45677	1.6
79.05492	17.0
81.07059	64.1
83.04984	3.3
83.08633	10.2
85.06543	4.5
86.49436	1.7
91.05472	17.8
93.07048	59.4
93.07642	3.0
95.04953	3.9
95.08612	100.0
97.06552	3.3
97.10174	4.1
99.04465	5.3
101.06018	9.2
105.07022	34.0
107.08598	75.9
109.06501	3.9
109.10158	45.1
109.10854	3.6
111.08144	1.8
111.11737	2.6
117.07033	3.4
119.08585	40.1
121.06529	3.6
121.10147	58.5
123.08080	2.2
123.11704	17.0
129.05563	2.5
131.08536	9.0
133.10123	30.6
135.08064	5.8
135.10699	4.2
135.11693	60.7
135.56395	2.0
137.13268	5.8
143.08572	3.0
145.10144	9.1
147.08130	2.1
147.11699	35.8
149.13260	33.6
153.09102	2.9
159.11703	13.5
161.13222	15.2
163.11177	3.8
163.14839	10.7
165.12788	2.0
173.13298	9.3
175.14806	12.0
177.12750	11.1
177.16342	3.5
181.12270	8.4
187.14813	4.5
189.12823	2.4
189.16354	11.3
191.14311	8.4
191.17953	65.1
191.19638	3.9
195.13808	19.6
199.14807	2.7
201.16333	2.8
203.17966	23.3
205.19563	5.9
207.13846	7.6
209.13472	2.9
209.15381	25.2
217.19534	20.4
221.15392	2.6
223.16971	2.7
257.22733	3.6
289.21515	4.3
363.29562	2.1
381.31458	3.3
399.32654	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	28.8
57.07077	14.5
58.98863	6.0
67.05504	48.8
69.03424	5.7
69.07066	33.9
71.08613	7.4
71.48699	5.3
77.05496	5.8
79.05485	33.3
81.07059	91.1
83.05005	8.1
83.08586	11.8
85.06542	19.9
91.05474	33.4
93.07043	62.7
95.08605	87.8
97.06524	9.5
97.10191	7.9
105.07036	63.0
107.08599	87.3
109.06533	11.1
109.10146	53.6
111.30861	5.7
117.07011	10.1
119.08591	52.5
121.06505	6.3
121.10120	50.2
123.11697	26.2
125.09638	12.4
129.05478	6.8
129.06975	8.5
131.08582	18.1
133.10110	44.7
135.11685	35.9
143.08588	19.5
143.74724	5.1
145.10127	39.4
147.11710	34.1
149.13263	34.5
149.46465	5.1
155.08606	11.1
157.10123	23.2
159.11690	38.7
161.13286	29.6
163.14795	14.0
171.11725	14.8
173.13318	22.8
175.14891	13.5
177.16432	9.8
181.89081	5.4
183.11684	10.0
185.13313	14.9
187.14894	14.4
189.16435	9.9
197.13287	9.7
199.14871	10.8
201.16382	10.4
203.17995	10.5
209.13364	6.5
211.14821	6.2
213.16412	9.0
215.18007	6.6
217.19353	8.6
229.19545	7.9
241.19370	5.8
255.21329	6.2
267.21289	5.6
271.24271	8.5
274.37177	5.9
363.30310	12.9
381.31458	30.3
399.32056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3622
Annotation	SCHEMBL13324298
Peak:m/z	Relative Intensity
53.03924	5.5
55.05507	22.0
56.89865	5.7
57.07074	25.3
67.05502	34.1
69.07072	28.2
70.23110	10.0
71.08633	16.7
78.06469	5.6
79.05503	25.1
81.07052	54.4
82.18742	5.5
83.04973	5.6
83.08624	22.1
89.80672	6.2
91.05492	27.4
93.07043	36.9
95.04919	6.7
95.08616	69.6
97.06532	40.8
97.10170	18.5
105.07039	50.8
107.08595	26.3
109.06538	40.3
109.10188	39.1
111.04464	8.2
111.11688	6.4
117.07022	8.6
119.08572	38.5
121.10158	18.2
123.11688	8.8
131.08582	26.5
133.10149	26.8
135.11707	20.9
143.08499	9.8
144.09375	7.3
145.10144	44.9
147.11702	26.4
149.13272	7.4
151.14793	9.0
157.10143	16.8
159.11699	79.0
161.13292	29.5
163.14809	8.4
171.11656	9.5
173.13303	19.9
175.14882	13.3
177.12775	16.6
185.13342	14.6
187.14780	11.3
189.16432	8.2
199.14818	19.8
201.16382	10.2
207.55273	6.1
213.16454	18.4
215.18044	8.4
218.86572	6.1
227.18060	8.9
233.22691	6.8
241.19559	8.4
255.21046	12.2
321.54562	6.3
381.35205	100.0
399.31213	29.4
399.36246	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.3
57.07066	8.0
67.05508	24.5
69.07072	35.2
71.04989	7.2
71.08608	4.8
71.48775	3.0
71.49160	2.9
72.49106	2.6
79.05503	14.2
79.38963	2.5
81.07063	62.9
83.08610	12.8
91.05484	13.2
93.07042	41.7
95.08612	100.0
97.10185	13.5
99.08108	16.4
105.07053	21.9
107.08595	54.2
109.09477	4.9
109.10164	56.6
111.11716	8.5
117.06989	3.2
118.42284	2.9
119.08591	30.7
121.09346	4.1
121.10155	59.8
123.11712	33.9
131.08546	5.5
133.10146	37.3
135.11693	43.8
137.13249	17.8
139.03905	5.3
145.10144	6.9
147.11710	22.2
149.13280	37.1
151.14833	5.0
159.11690	8.2
161.13254	25.9
163.14835	39.2
173.13264	11.1
175.14813	27.1
177.16396	19.8
189.16379	22.5
191.17950	44.0
201.16478	3.7
203.17950	10.9
205.19528	12.0
205.24756	3.3
217.17679	2.9
217.19467	13.8
219.21115	3.7
221.58134	3.2
228.99559	3.1
231.21242	3.4
243.21127	3.5
257.22485	4.8
381.35202	27.3
399.31152	9.3
399.36209	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.05507	25.7
57.07063	11.7
67.05514	36.1
69.07076	32.3
71.04993	6.0
71.08614	5.0
71.22356	8.6
79.05497	25.0
81.06599	5.5
81.07056	79.6
83.04984	4.1
83.08612	23.3
85.06523	3.6
91.05513	21.3
92.05840	5.8
93.07050	53.9
95.08604	100.0
97.10138	14.6
99.04398	4.3
99.08076	17.2
100.15533	3.5
101.06042	4.1
105.07032	30.7
107.05010	3.8
107.08584	66.9
109.10155	73.0
119.08585	42.6
121.10145	78.5
123.11713	37.5
131.08545	7.0
133.10141	52.7
135.11693	46.3
137.13245	14.0
145.10089	11.9
147.11693	28.0
149.13261	39.1
151.14819	9.4
159.11649	14.2
161.13264	30.2
163.14830	41.4
173.13155	11.3
175.14853	29.7
177.16397	16.6
187.14801	8.1
189.16431	21.4
191.17973	42.1
201.16408	5.1
203.17929	13.2
205.19514	12.5
215.18002	5.8
217.19481	14.2
243.21181	5.4
257.22644	5.7
269.29462	3.9
285.25671	6.1
307.29623	4.1
381.35095	17.5
391.17667	4.1
399.31067	42.8
399.36224	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	401.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
55.30017	1.2
56.96303	2.0
56.96566	26.5
61.02906	2.6
69.03433	7.3
69.07057	1.2
69.59345	4.4
69.59758	2.9
70.06598	13.2
71.95267	1.4
72.08152	12.8
72.93790	1.3
73.02910	1.8
76.75787	1.3
81.03412	2.7
84.04496	4.8
84.08146	6.1
84.96051	13.4
85.02911	11.5
86.09706	11.0
95.04989	1.5
97.02905	6.9
98.20816	1.3
98.97591	89.7
99.04465	1.2
102.96944	1.2
107.04959	53.1
108.05306	1.8
108.18185	1.1
109.02888	2.4
110.07169	2.5
110.97575	42.1
110.98357	2.1
111.22964	1.3
112.99116	5.4
113.07133	1.3
113.56477	1.4
116.07112	9.0
116.98632	28.0
123.04430	7.6
124.42735	1.4
124.99123	2.6
127.03942	1.9
128.98616	33.8
128.99583	1.7
129.10217	2.8
131.00189	4.6
132.95836	2.9
134.99658	6.0
136.06186	2.6
140.98604	3.3
143.00192	6.6
144.98103	2.2
146.99638	12.1
149.01167	1.8
152.98697	1.5
154.08670	1.7
155.04680	2.3
158.97496	1.6
158.99675	8.7
159.03259	1.5
161.01268	7.5
162.99098	1.4
163.97826	3.6
170.99646	10.4
175.11879	1.8
177.00748	7.8
178.97893	4.1
179.00142	2.5
179.02316	2.1
181.98880	11.4
182.99519	1.3
187.07201	3.7
188.54997	1.4
189.00748	5.8
193.01793	1.4
195.01682	1.4
195.41112	1.2
197.01204	2.0
198.97012	1.3
199.99957	16.5
201.00699	7.8
201.04320	1.2
210.99117	2.0
211.02754	1.4
213.00644	1.6
215.02328	2.2
218.00931	1.3
219.01773	68.9
220.99045	1.8
221.74298	1.1
229.00200	4.1
232.81897	1.1
232.99016	1.6
234.99007	2.3
237.02823	100.0
238.03185	2.2
239.02312	3.6
240.13280	1.5
247.00755	1.3
251.02318	1.5
255.03838	4.2
257.03339	2.7
259.99911	7.2
260.04367	1.8
261.02783	2.9
269.03375	2.1
277.00031	1.5
278.00980	5.4
279.04102	1.4
279.07516	3.2
281.03305	3.2
283.04892	1.7
293.03265	3.8
295.12939	1.8
299.04425	2.2
303.07358	1.8
309.08731	1.6
323.02112	5.3
325.05859	1.4
326.03094	5.0
341.05408	18.9
344.04236	1.6
359.06482	43.5
360.06747	1.4
382.07962	1.7
401.07712	33.6
401.28659	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
55.05499	6.4
65.03925	3.1
67.05495	5.6
69.03436	4.8
69.07045	7.4
70.02956	3.2
70.06584	6.0
71.47848	4.1
75.74965	2.8
79.05476	5.8
81.03415	4.2
81.07069	14.8
83.04996	3.7
85.02864	2.7
86.09737	3.2
88.03992	16.9
89.95462	2.8
90.98066	2.8
91.05482	7.0
93.07050	8.8
94.06577	23.2
95.04929	5.7
95.08595	11.1
101.26881	2.5
104.03463	6.6
105.07014	8.2
107.04964	35.2
107.08570	5.8
109.06476	3.6
109.10164	6.6
117.07008	3.6
119.08589	5.2
121.02843	3.1
121.10069	3.5
123.08031	5.3
131.04889	3.6
132.04530	3.2
133.06445	3.9
135.11679	4.3
137.05960	9.5
145.03070	2.6
145.06517	2.9
146.06009	42.5
161.06018	3.2
165.77971	2.4
167.07031	12.1
174.03958	9.1
174.05489	20.6
185.13242	2.8
187.07523	4.4
192.06625	3.1
202.03415	8.7
209.11424	2.6
269.08084	4.0
277.08289	5.5
278.09500	2.9
291.10086	3.3
295.09164	12.9
315.09796	8.4
330.10849	4.5
343.09372	6.0
357.11115	11.5
358.11987	13.4
383.15268	4.1
385.10614	3.0
386.11469	35.5
401.13818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63695	2.5
55.05497	4.1
67.05495	3.8
69.07087	4.5
69.61639	20.2
70.02961	3.9
70.06595	4.6
74.75037	2.7
77.03904	2.8
81.07040	8.5
88.03990	13.0
93.07030	7.3
94.06573	17.5
95.08624	9.8
98.21452	6.7
101.14238	2.9
104.03472	4.9
105.07007	7.5
107.04959	22.2
117.43628	3.1
125.09646	4.5
129.06987	3.7
137.05992	6.4
146.06004	34.4
167.07066	5.3
174.04106	6.2
174.05508	18.0
202.03488	11.6
277.08176	4.2
295.09171	13.6
315.10098	7.9
343.09500	9.1
357.11179	8.8
358.11942	10.6
386.11423	32.6
401.13824	100.0
401.22000	5.2
402.14227	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12320	2.1
53.03938	3.1
55.05508	4.3
58.78463	2.0
67.05493	6.6
69.07063	5.4
70.06573	2.7
71.05011	2.7
71.48418	3.8
78.04701	2.8
79.05505	14.0
81.03419	3.6
81.07049	7.5
83.04942	3.2
84.08122	2.3
85.02901	3.7
85.06547	3.1
91.05473	8.8
93.07052	6.3
95.04958	7.0
95.08590	7.3
97.02923	5.0
97.06511	4.4
105.07016	7.8
107.04958	47.3
107.08611	4.5
109.02870	3.7
109.06519	2.6
109.10186	2.9
111.08010	2.9
115.05434	4.3
116.06257	3.2
117.06996	5.3
119.03410	4.2
119.08603	3.6
121.06470	4.9
121.10143	2.7
123.04428	3.8
124.05212	4.4
127.03922	3.7
128.06221	3.7
129.06958	5.0
131.08569	10.0
132.05722	2.4
133.06500	6.6
133.10139	4.0
134.03621	2.5
137.05983	5.4
141.06975	4.5
144.05707	7.4
145.06465	7.0
153.05542	3.0
156.05710	12.2
157.06482	7.0
158.07301	3.5
159.08052	12.1
161.06017	6.1
163.03998	3.0
167.07036	100.0
168.43257	2.1
169.06383	2.9
171.08020	3.4
171.11765	2.4
173.05965	5.2
177.05502	4.1
178.67906	2.6
179.07083	4.3
181.04915	4.7
181.06389	3.5
181.08617	2.7
183.08032	3.5
186.06783	3.0
187.07529	9.3
191.07074	4.7
193.06627	2.9
197.06245	2.8
197.09666	2.6
202.06258	5.6
202.07884	3.2
203.08598	2.6
204.07834	3.3
205.06828	2.9
205.08617	12.7
207.06474	4.5
208.05186	19.9
208.08865	2.3
210.06665	2.2
217.08597	33.9
218.07179	2.6
219.08034	11.2
219.10220	6.0
220.08841	4.9
221.05986	6.6
229.08600	5.3
230.07423	2.5
231.08057	8.6
231.10153	3.1
232.08885	3.1
233.05974	3.4
233.09698	5.4
234.10513	2.9
235.07571	5.2
236.04665	3.9
236.08324	3.5
237.09102	4.5
238.06354	2.7
241.08736	2.4
244.08717	3.0
246.06877	3.4
247.07458	14.1
247.09702	18.8
248.08305	13.5
249.09233	3.9
253.08556	3.1
254.05748	7.7
258.06732	2.9
259.07611	3.6
260.08295	3.4
261.08997	4.5
262.10159	2.7
263.06985	6.2
263.10760	12.1
264.07803	7.5
265.08667	5.9
267.06531	6.2
267.83502	2.4
268.03625	3.7
269.08054	23.2
271.09702	9.1
272.06842	2.8
275.07089	7.2
276.07816	8.3
277.08551	6.1
279.10162	9.0
282.05576	5.0
282.08884	15.8
289.08716	2.6
290.09470	7.3
291.10117	17.9
292.07312	6.0
293.08084	9.3
294.08987	3.6
294.14932	2.9
299.09180	5.2
300.06284	2.9
305.08096	4.2
307.09668	12.2
308.06964	2.8
308.10120	4.6
310.08344	7.5
311.12799	4.4
315.08627	83.0
318.09061	2.6
319.09647	8.9
320.10190	2.6
321.07620	4.1
321.11154	3.5
322.08237	2.7
323.09326	3.8
323.12775	14.4
328.09378	6.8
330.10968	84.7
331.11444	10.9
336.09827	3.2
337.10782	6.2
339.12402	9.0
340.15488	6.2
343.11725	19.8
351.12280	26.3
352.12949	5.0
353.10251	7.0
356.12695	4.7
368.12619	7.2
369.13358	5.2
371.14905	4.4
383.10300	4.6
383.14932	70.5
384.14673	3.7
401.16452	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01855	2.3
55.48035	1.7
58.13990	1.7
69.03410	2.6
70.06573	3.4
70.61114	5.8
72.08149	3.0
79.05499	14.8
81.03402	5.2
81.07053	6.2
85.02926	3.0
86.09699	5.3
91.05486	7.0
93.07041	4.4
95.04971	4.7
103.05502	2.5
105.07031	5.0
107.04958	43.2
107.08611	3.5
115.05457	5.7
117.07023	5.1
119.08592	3.2
121.06518	3.2
123.04427	6.7
124.05203	5.2
125.06038	3.1
128.06230	2.7
129.07002	5.6
131.04984	2.4
131.08575	11.9
133.06525	2.6
133.10213	2.5
141.06990	4.2
144.05698	8.1
145.06520	8.4
152.04709	4.3
156.05690	19.1
157.06493	2.8
157.46744	1.9
158.07262	3.5
159.08081	16.1
161.05984	4.3
163.03862	3.7
165.06947	3.1
167.07051	100.0
169.06435	3.5
170.07190	2.1
170.22482	2.1
173.05962	5.5
179.07051	3.1
181.04947	3.6
181.06645	2.0
181.08574	4.0
182.07339	2.2
184.05247	2.9
184.97757	1.9
186.06795	4.0
187.07561	9.8
190.07823	2.2
191.03358	2.9
193.08609	2.6
195.06432	4.7
197.06003	2.7
202.06232	5.9
202.07861	4.0
203.08652	2.3
205.08530	15.1
207.06445	6.0
208.05199	20.7
208.08820	3.3
210.06676	2.7
211.07658	2.9
217.05177	2.6
217.08588	36.0
218.07246	5.2
219.08058	10.9
219.10181	6.8
220.08870	6.0
221.06000	6.8
221.09819	3.1
229.08577	6.7
230.07173	2.6
231.08063	6.0
231.10150	4.8
232.08812	2.5
233.09674	4.7
235.07538	4.9
236.04694	9.1
236.08369	5.9
237.08972	3.4
238.06210	4.0
240.04124	2.5
241.08620	3.0
245.09647	3.1
247.07494	14.4
247.09714	21.2
248.08269	11.3
250.06248	4.1
251.07059	3.0
254.05779	7.8
258.06821	2.3
259.07559	3.4
260.08252	3.5
261.09122	5.3
262.09915	5.1
263.06992	4.2
263.10669	9.1
264.07858	5.3
265.08582	5.8
266.05673	3.0
267.06448	7.2
269.08072	24.5
271.09711	9.5
272.06729	4.5
275.07013	6.7
276.07813	7.7
277.08572	5.4
279.10168	7.0
281.08163	5.2
282.05508	4.7
282.08844	17.1
290.09317	3.1
291.10156	15.6
292.07343	4.9
293.08047	8.1
295.06070	2.9
299.08810	4.5
301.07053	3.3
305.08221	3.4
307.09619	13.4
308.10452	8.1
310.08276	9.0
315.08624	70.9
316.09140	3.1
319.09671	7.4
321.07663	4.6
322.08322	2.8
323.09320	4.3
323.12613	10.8
323.34473	2.7
325.10672	2.6
328.09384	6.6
330.10971	80.7
331.11609	12.0
335.08963	2.9
336.09888	5.7
337.10870	5.9
339.12289	10.5
343.11795	22.3
351.12296	33.7
352.12961	3.5
353.10193	8.5
356.12653	3.9
368.12463	9.8
369.13336	4.4
371.14758	3.9
383.10297	3.7
383.14944	58.1
401.16046	19.5
401.27853	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01865	3.5
55.05517	10.5
62.40656	1.9
67.05486	9.4
69.03432	2.9
69.07082	14.8
69.33074	18.5
75.12419	2.6
78.04735	4.0
79.05499	26.6
81.03420	2.5
81.07058	30.2
83.04991	5.1
83.08601	6.7
84.08139	7.4
85.06504	2.4
91.05492	19.9
93.07043	15.2
95.04968	6.3
95.08619	24.4
97.06519	3.2
97.10161	2.5
98.21478	3.3
103.05461	7.9
105.04527	2.5
105.07021	12.1
107.04964	44.5
107.08621	15.8
109.06522	3.5
109.10185	11.6
111.04478	1.9
111.41327	2.0
115.05472	7.1
116.06175	3.3
117.07020	5.2
119.08582	11.7
121.06503	5.0
121.10163	10.9
123.04411	6.2
123.08084	14.5
123.11684	5.8
124.05212	6.5
125.06019	2.8
128.06221	6.8
129.06976	8.4
131.04910	7.0
131.08591	11.1
133.06496	3.8
133.10127	11.2
135.08067	6.5
135.11665	5.9
137.05988	4.7
137.13251	4.9
141.06976	6.2
142.07744	2.5
144.05714	8.3
144.09232	2.4
145.06465	7.3
145.10132	3.2
147.11678	3.6
149.13240	5.2
151.03908	6.8
151.07549	2.4
152.04596	3.0
153.05479	4.3
156.04601	2.3
156.05684	14.5
157.06451	4.9
157.10118	2.5
158.07214	3.4
159.08025	15.8
159.11662	3.6
161.05936	4.8
161.09584	4.3
161.13255	7.6
163.03935	2.7
163.11150	2.7
163.14803	2.2
165.06924	2.1
167.07043	100.0
169.07690	2.3
171.08128	2.1
171.11763	2.2
172.05150	2.2
173.05963	6.4
173.13277	4.3
175.07545	2.4
175.11179	5.2
177.05452	3.3
177.12769	8.4
179.07085	4.2
181.04961	7.2
181.06432	2.6
181.08655	2.0
184.05165	4.5
186.06822	4.5
187.07567	11.6
189.05489	4.2
189.12761	8.9
190.06184	3.0
191.06990	5.0
191.08565	2.9
193.08675	2.5
195.06451	2.8
197.05914	2.0
202.06210	6.7
202.07854	4.2
203.06927	3.2
203.08630	3.0
203.14394	2.9
204.07693	2.8
205.06717	3.0
205.08562	11.2
207.06467	6.4
208.05180	18.6
210.06812	4.2
211.07440	3.7
217.08577	39.1
218.07207	5.6
219.08029	13.4
219.10199	5.5
220.08841	3.1
221.06006	8.2
226.06401	2.8
229.08652	6.6
231.08089	6.8
232.08879	4.2
233.05934	2.5
233.09703	4.4
234.06816	3.2
234.10326	2.1
235.07585	4.6
236.04622	5.5
236.08347	4.3
237.08891	2.4
238.06255	4.2
239.07045	3.7
239.10718	2.5
245.09621	3.5
247.07457	11.5
247.09700	21.0
248.08342	14.3
249.09079	3.6
251.10886	2.3
254.05705	6.4
257.04269	3.3
259.07504	6.4
261.09067	6.9
262.06329	3.2
262.09891	6.0
263.07211	7.1
263.10379	10.2
264.07797	8.7
265.08545	4.1
266.09402	3.1
267.06467	7.5
269.07999	19.3
271.06543	3.0
271.09610	11.4
272.06787	2.6
273.09225	3.5
275.07056	7.6
276.07733	6.9
277.08600	4.1
278.05737	2.5
279.10162	9.7
280.07175	2.5
282.05652	3.1
282.08865	13.2
287.09167	2.8
289.08401	2.7
290.09192	4.7
290.76535	2.3
291.10129	16.8
293.08051	9.5
295.09607	2.7
296.10315	2.8
299.09171	7.9
304.07410	4.5
305.11697	2.8
307.09637	11.1
308.10419	5.1
310.08307	7.8
311.12625	3.7
315.08624	59.1
316.09125	3.0
319.09570	9.0
321.07608	4.3
323.09430	3.2
323.12814	14.6
324.09848	3.3
328.09259	5.7
329.28159	2.3
330.11008	70.4
331.11710	11.9
335.09042	2.2
336.09833	4.6
337.10516	7.3
339.12338	9.0
343.11826	19.3
351.12286	30.3
352.12933	4.8
353.10022	7.7
368.12521	7.2
369.13354	3.3
371.14844	4.3
373.12662	3.4
383.14896	57.3
383.33212	15.2
386.11551	5.1
401.12259	9.0
401.15826	10.6
401.29605	2.5
401.34225	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	401.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37971	0.7
54.68379	0.7
55.05516	7.8
56.05029	1.4
57.05819	1.3
60.04524	1.0
62.83223	0.7
63.87372	0.6
69.03436	1.4
70.06595	48.2
71.06920	0.7
71.08683	1.7
72.08159	100.0
73.01516	0.9
73.08495	1.4
79.05510	0.8
81.83493	0.9
82.75208	0.7
84.04506	20.8
84.08139	4.6
85.02913	2.4
86.09709	12.2
93.50980	0.7
96.04514	1.8
102.05544	11.8
107.04971	4.6
109.02865	0.8
110.07178	1.4
112.08748	1.1
113.07137	6.3
115.08709	0.9
116.07098	72.4
124.07624	0.9
129.10220	5.2
131.04881	1.1
136.07613	1.4
137.06004	1.9
141.06578	8.4
141.10242	1.0
154.08606	0.8
159.07639	6.4
167.07033	0.8
169.06094	16.4
169.09731	1.2
173.09404	0.9
175.07555	1.2
175.12073	1.2
181.05005	1.6
187.07153	31.5
193.13387	3.4
201.12297	1.2
209.08247	0.7
215.14034	2.4
221.12933	4.3
239.14108	2.1
240.13449	9.5
258.14542	5.3
268.12970	4.7
286.14029	14.0
343.32571	0.7
357.11511	1.4
401.10831	3.0
401.17624	1.3
401.24817	1.7
401.28976	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	401.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82600	0.3
53.03944	0.5
55.01863	0.5
55.05270	0.6
55.05515	7.9
56.05033	0.7
56.89815	0.3
57.05817	0.9
58.14019	0.3
59.82131	0.3
66.24080	0.3
67.05511	0.4
69.03436	1.4
69.07079	1.9
70.06606	3.5
71.06946	0.5
71.47868	0.5
72.08160	100.0
73.02932	0.5
73.08495	0.6
79.05507	1.6
81.03420	0.9
81.07083	0.7
83.04996	0.4
84.04517	0.7
84.08143	1.2
85.02927	2.6
86.09711	29.3
87.00837	0.7
87.10049	0.5
91.05492	1.4
93.07079	0.6
95.04998	0.8
95.08637	0.6
97.02893	1.7
97.04206	0.4
99.04459	0.4
103.05497	0.5
105.01870	0.5
105.07056	0.5
107.04960	5.1
109.02908	0.8
116.07114	0.6
118.08665	0.6
119.04996	0.7
119.08611	0.9
121.06491	0.9
121.08411	0.4
123.04443	0.8
127.03928	2.1
129.07056	0.7
129.10291	1.0
131.04944	0.8
131.08600	0.5
132.10217	2.1
137.06042	1.2
141.07059	0.6
143.11806	18.4
144.05727	0.7
145.05014	0.9
145.10161	0.4
149.05977	0.3
149.85509	0.3
151.03983	0.3
156.05766	0.6
158.07358	0.5
159.02950	0.4
159.08055	0.9
159.09233	0.5
163.03966	0.4
163.07649	0.4
167.07043	6.7
171.11293	26.5
173.06091	0.4
175.10832	1.1
177.05551	1.0
180.18666	0.3
181.04961	0.5
184.05142	0.5
185.16547	1.5
186.12810	0.5
187.07579	0.8
189.12440	1.3
191.07079	0.9
199.14511	0.4
199.18051	5.8
203.13985	0.4
205.08691	1.1
207.06563	0.5
208.05272	1.2
209.08069	0.4
213.16064	1.2
217.08499	1.8
219.08105	1.1
219.10213	0.7
221.05983	0.5
221.11490	0.4
225.15974	4.6
227.17607	3.0
229.08760	0.4
231.08203	0.7
231.17061	17.3
235.11078	0.5
238.10750	0.4
239.07155	0.8
239.11058	0.6
246.78264	0.4
247.07568	1.0
247.09848	1.3
248.08313	0.8
254.05922	0.7
257.04498	0.4
258.15945	0.4
259.11121	0.5
263.10858	0.5
264.07776	0.5
269.08289	1.6
270.18155	6.4
270.21042	0.5
271.09912	0.5
276.07898	0.7
279.10294	0.5
281.08301	0.6
282.05286	0.6
282.08929	1.1
284.19644	0.8
288.19308	0.5
291.10291	0.6
293.08200	0.6
302.20883	0.7
307.09775	0.6
308.10638	0.4
310.08417	0.9
315.08670	4.8
319.09686	0.8
321.07544	0.4
323.13000	0.9
330.11017	4.8
331.11832	1.1
339.12344	0.8
343.11856	1.2
351.12265	2.2
368.12704	0.9
383.14902	4.5
401.16815	1.6
401.22546	0.5
401.28799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.8
53.03934	6.5
55.05519	17.1
57.07071	10.1
66.72800	2.2
67.05502	19.8
69.06740	3.1
69.07060	16.5
69.83794	11.6
71.04998	16.8
71.08620	6.3
79.05487	24.2
81.03416	4.9
81.07053	39.2
83.08614	7.0
85.10180	3.4
89.21042	2.6
90.83916	2.5
91.05480	51.5
93.07044	54.0
95.04971	8.8
95.08138	2.8
95.08623	27.0
97.02900	3.3
103.05506	2.7
105.07032	100.0
107.04971	4.1
107.08592	39.5
109.06514	60.4
109.10146	22.6
111.08067	7.5
112.54204	2.4
115.05465	6.8
116.06239	5.7
117.07031	30.4
119.08579	85.2
121.06542	2.9
121.10144	23.4
123.08043	4.5
123.11710	4.1
128.06241	11.8
129.06984	23.4
130.07741	12.5
131.08571	64.4
133.10138	90.1
133.72090	2.6
135.08063	15.3
135.11690	17.0
137.09630	9.9
141.06975	10.9
142.07780	30.6
143.08559	46.5
143.74886	2.5
144.09338	7.7
145.10124	98.6
147.08038	7.1
147.11708	15.2
149.09615	4.6
153.06978	3.7
153.71140	2.4
155.08528	22.0
156.09343	18.6
157.10123	61.9
158.10892	14.6
159.11691	36.1
161.09604	4.9
161.13254	4.0
162.50154	2.5
165.06995	7.1
166.07837	3.0
167.08557	14.9
168.09366	7.6
169.10097	24.4
170.10905	6.3
171.11707	33.5
173.09566	3.5
173.13246	39.8
175.11217	4.0
175.14816	16.8
179.08549	11.3
180.09315	7.1
181.10120	16.3
182.10950	7.0
183.11690	22.8
184.12494	6.3
185.13269	17.5
187.11235	3.7
187.14835	33.9
189.12825	4.5
192.09349	6.1
193.10130	13.6
194.10902	8.0
195.11687	21.0
196.12447	6.8
197.13254	18.2
198.13980	2.9
199.14842	14.5
201.12759	7.7
201.16331	4.2
205.10165	2.6
206.10916	9.7
207.11691	17.7
208.12538	5.8
209.13251	28.2
210.13806	3.6
211.14830	10.4
213.12805	5.8
213.16371	3.6
219.11664	4.1
221.13243	20.3
222.14087	4.4
223.14859	9.2
227.14304	3.8
231.11719	4.1
232.12323	2.5
233.13237	5.5
235.14758	8.3
236.15721	3.2
237.16330	7.1
245.13187	5.4
245.74283	2.5
246.13992	4.1
247.14867	4.2
249.16418	5.5
251.17921	5.7
261.16342	5.3
263.17941	6.2
265.19559	10.0
275.17868	5.5
277.19379	3.8
289.19495	4.0
301.19604	3.0
307.21042	2.6
343.24011	6.6
401.28314	45.7
402.28778	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	401.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01878	1.1
55.05507	2.2
56.05034	1.6
57.03436	1.1
57.05828	0.8
60.05650	10.6
61.01150	0.7
68.05004	0.8
68.64458	0.6
69.03422	1.6
69.07071	1.5
70.06596	100.0
71.05000	6.6
71.06958	1.0
71.47654	0.6
71.48018	0.6
72.08158	18.8
72.08549	1.1
73.02936	0.8
74.06090	2.5
76.02209	0.7
77.00634	1.2
79.05507	1.2
81.03432	1.3
82.38364	0.5
84.04513	4.0
84.08142	7.6
85.02885	3.1
85.06545	0.7
85.07693	0.7
86.09710	47.5
87.05599	1.2
87.10057	0.8
88.03996	1.1
88.07617	3.4
91.05502	2.3
93.07035	0.7
95.05024	0.8
95.06097	1.0
96.08148	0.7
97.02914	1.6
97.07685	1.7
98.06079	2.6
101.07139	1.0
102.05549	0.9
103.05469	1.0
105.07018	0.9
106.06590	2.3
107.04968	8.4
109.06584	1.2
109.10183	0.6
110.07195	1.9
112.08734	25.9
113.07159	0.6
115.08694	3.8
116.07101	6.2
118.06529	1.0
120.08147	2.5
121.02955	0.8
121.06522	0.6
121.08453	0.9
123.04451	0.7
123.08037	1.1
127.03913	0.9
129.10248	4.5
130.08647	0.7
131.04964	0.6
132.10223	1.3
134.06104	1.0
135.06404	0.9
135.08075	0.8
136.07594	2.9
137.06053	0.9
137.07974	1.2
138.12808	1.9
140.08224	3.9
141.10262	1.6
143.11774	0.7
145.04951	0.6
145.09805	1.8
147.04413	0.7
148.04288	0.7
153.10254	0.9
157.10883	6.3
159.11378	0.8
165.06932	4.7
165.09181	0.5
166.12207	0.6
167.07007	0.9
168.13907	0.6
169.09695	0.9
171.11322	0.7
173.09360	1.7
174.56560	0.6
175.11995	3.7
181.05072	1.7
182.08199	1.1
182.16650	1.0
183.14948	7.7
185.16428	3.1
186.12495	1.7
187.10796	0.8
189.12317	3.4
194.11746	1.0
204.08192	0.8
208.14563	2.1
210.16133	2.3
211.14452	1.5
213.15996	2.6
215.14078	1.0
221.10750	5.6
221.12646	0.6
222.11359	1.1
222.15028	0.9
224.17789	0.7
225.17120	16.2
228.17181	1.5
229.15588	2.5
236.13945	0.7
239.11716	8.4
240.12375	1.2
240.16132	1.4
242.19890	1.7
245.18642	0.9
253.16756	1.9
259.08069	1.7
268.16724	2.1
270.19376	2.4
271.17648	6.9
277.12369	1.3
286.17780	0.7
288.20288	12.7
295.16534	1.3
315.08661	0.7
326.17169	0.6
330.11255	1.4
353.27820	0.6
357.15268	0.7
383.15353	1.2
384.26138	7.1
401.17667	27.0
401.28717	87.8
402.17838	1.3
402.28912	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.05504	16.5
57.03431	7.9
57.06794	5.3
57.07076	100.0
62.47380	2.5
67.05505	34.0
69.03429	59.5
69.07070	24.7
69.38226	5.4
69.38635	18.1
71.04969	4.9
71.08633	59.0
76.27734	2.8
79.05502	3.9
81.03420	48.9
81.07054	54.3
83.08611	35.6
85.02435	4.9
85.02908	46.8
85.10178	39.4
87.04444	5.0
91.05434	3.5
93.07045	7.4
95.08603	71.5
96.78853	2.9
97.02888	29.4
97.10178	15.5
98.65631	2.7
99.04458	9.1
105.07008	5.7
107.08613	6.3
109.02877	27.3
109.10152	38.4
111.11765	4.6
119.08607	5.4
121.10159	6.2
123.11679	18.8
127.03910	41.3
127.11275	2.9
133.10167	6.1
135.11728	3.1
137.13263	5.5
145.04927	5.7
145.10114	4.6
165.09042	4.9
173.13171	3.9
221.22675	3.5
239.23729	22.9
257.24738	4.6
343.21646	3.2
383.28003	15.0
383.89847	3.0
401.28275	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.05522	17.9
55.05747	3.7
57.03428	7.3
57.07079	100.0
59.54976	2.3
59.77163	2.3
67.05505	40.8
69.03086	4.4
69.03432	55.0
69.07074	22.4
69.50642	17.8
71.04982	4.3
71.08636	75.7
79.05490	4.9
81.03422	58.7
81.07055	61.9
81.67836	2.2
83.08622	34.6
85.02907	48.8
85.03385	4.1
85.10187	34.2
85.87636	2.2
87.04465	2.3
91.05472	6.9
91.38769	2.3
93.07048	12.9
95.08612	76.7
97.02898	32.4
97.10171	19.2
99.04456	11.4
105.07035	10.6
107.05043	2.9
107.08600	8.5
109.02888	33.4
109.10156	40.6
111.11716	8.0
117.06993	3.6
119.08582	11.2
121.06538	5.6
121.10117	6.3
123.11697	18.8
125.13287	3.0
127.03928	46.1
131.08557	3.7
133.06505	2.8
133.10136	8.1
135.08044	2.8
135.11728	4.0
137.13249	10.7
143.08620	4.2
145.04993	6.0
145.10170	4.8
147.08061	11.3
147.11652	3.5
151.14796	2.8
157.10095	3.4
159.08054	2.8
159.11705	5.9
161.09627	2.6
161.13281	4.0
165.16431	3.3
169.10001	2.3
171.11716	2.6
173.13260	6.2
175.14882	3.6
183.11800	3.1
186.15997	2.3
187.14861	2.4
221.22777	3.4
239.23712	34.9
257.24753	6.0
298.27393	2.8
340.12048	2.3
341.09192	2.6
346.56879	2.9
355.29904	3.2
383.28043	18.0
384.96335	2.1
395.13287	2.4
401.28064	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	401.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.05504	28.0
56.20931	5.5
57.07070	13.0
57.21244	5.2
59.04994	6.7
67.05500	38.2
69.03433	20.7
69.07058	22.6
69.30824	52.7
70.06592	8.3
71.05003	8.2
71.08625	16.0
79.05484	26.9
81.03442	10.7
81.07051	58.3
83.08620	21.3
85.10197	6.4
88.07652	10.2
91.05478	44.0
91.35192	6.5
93.07043	53.1
95.08607	81.8
97.02885	14.9
97.06504	7.7
97.10213	8.1
102.09193	9.6
105.07027	66.6
107.05025	7.6
107.08585	65.3
108.11483	5.2
109.06513	10.2
109.10163	50.0
111.08068	6.6
117.07045	25.0
119.08578	100.0
121.06517	6.1
121.10136	43.0
123.08045	7.7
123.11705	17.8
129.07027	7.7
130.07813	7.9
131.08568	31.7
133.10132	77.1
135.11699	36.5
137.13210	6.4
139.11203	11.9
143.08556	13.4
145.10117	55.2
147.07976	5.4
147.11691	53.9
149.09669	7.2
149.13255	21.4
151.11223	7.4
157.10118	12.1
159.11723	43.8
161.09671	12.3
161.13255	26.1
163.11191	18.6
163.14740	7.9
169.10199	10.0
169.59621	8.7
171.11700	24.7
172.96194	5.9
173.13255	14.0
173.89737	5.7
175.14842	16.0
176.53169	6.8
177.12781	20.1
183.11743	9.6
185.13240	12.9
187.14856	34.9
189.16377	36.9
191.14340	7.9
191.18098	6.6
193.66229	5.8
197.13307	8.5
199.14818	25.4
201.16367	36.9
203.17960	11.5
205.15785	10.5
205.28233	5.8
213.16418	17.1
215.14360	6.4
215.17982	15.0
217.15996	8.4
225.16418	6.9
227.18036	8.5
231.17381	7.2
239.23769	12.2
253.19179	6.7
297.25775	12.8
311.23523	7.1
313.21640	12.5
313.25095	14.3
339.34232	9.1
339.83466	5.9
342.18161	6.0
347.27527	7.8
353.84854	7.0
365.28348	44.7
383.29514	35.0
401.13724	12.9
401.30472	27.3
401.38123	30.5
402.39398	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03679	9.8
55.05515	23.9
67.05499	18.6
69.07076	19.1
70.06582	18.5
70.18551	37.5
79.05495	29.7
81.03419	16.5
81.07060	47.3
83.08636	8.9
85.02954	8.6
91.05490	33.0
93.07051	18.6
95.04976	9.1
95.08595	24.7
98.20834	14.6
103.05502	65.2
105.07053	41.5
107.04980	13.9
107.08570	13.7
109.06535	15.2
109.10163	15.7
119.08594	20.8
121.06519	13.5
121.72539	10.6
123.11685	10.3
129.07065	11.6
131.04924	88.0
131.08549	19.5
133.06517	14.4
133.10133	9.3
137.05986	100.0
151.07616	10.9
151.41185	9.6
157.10136	17.1
159.11670	11.4
161.05959	80.2
163.07520	62.6
173.13347	14.5
183.08101	13.2
193.20511	10.4
239.06999	20.1
240.07875	23.9
241.08632	47.3
256.26352	17.6
283.11011	9.6
327.10083	13.0
328.10699	11.7
355.09448	12.9
356.10263	14.8
367.24173	13.9
370.11618	34.6
371.12778	68.7
372.13794	12.8
396.66000	12.2
402.14856	49.4
402.23413	14.2
402.32285	18.7
403.15692	66.4
403.24570	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75512	11.6
55.05510	15.6
56.39417	11.1
62.03190	11.3
67.05483	42.0
69.07047	18.8
71.40727	13.2
79.05478	23.6
81.07043	47.9
83.08605	14.6
89.52176	11.8
91.05470	29.2
93.07017	29.6
95.04924	12.8
99.30894	10.8
103.05460	72.6
105.07007	43.4
107.04933	28.1
107.08569	20.4
119.08540	16.4
131.04939	74.7
131.08517	23.2
133.06538	13.9
133.10039	14.5
137.05980	82.6
143.08577	14.8
159.11661	12.9
161.06015	100.0
163.07516	65.2
173.09628	11.9
218.07536	11.2
238.94312	12.5
239.07022	12.0
240.07773	23.0
241.08594	38.2
275.19910	18.4
289.40649	13.9
299.10345	18.0
299.86990	12.2
327.09961	18.4
328.10773	13.4
340.10928	12.3
370.11639	38.3
371.12729	79.5
372.57883	12.4
402.14236	53.3
403.15649	74.4
403.24844	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73195	1.4
55.05505	3.2
57.07062	2.0
69.03430	1.9
69.07066	5.5
71.35185	2.6
79.05483	5.0
81.07069	7.4
83.08621	3.4
86.61705	1.4
95.04941	2.8
97.10176	3.3
107.04961	5.1
108.05769	10.3
109.06511	10.0
111.11717	2.6
121.06515	13.8
123.04449	4.0
131.08540	1.6
135.08055	1.5
136.05203	27.7
137.05988	85.9
138.06769	34.7
149.06032	2.9
149.09605	5.6
150.06734	13.8
151.07568	2.9
159.08067	3.0
162.06789	2.4
163.07562	5.5
177.09116	61.2
191.10641	3.0
192.11224	1.5
303.04993	1.3
402.34967	100.0
403.35498	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	403.1391
Annotation	2,7-Dihydroxy-4-methoxyphenanthrene 2-O-glucoside
Peak:m/z	Relative Intensity
67.05517	1.1
69.03409	1.8
69.67500	5.7
70.06586	1.4
72.08147	1.2
76.50087	0.9
85.02907	3.0
86.09688	1.8
94.35776	1.0
95.06877	1.1
97.02879	1.4
97.06541	1.3
97.38335	1.0
98.20676	1.2
107.04974	2.4
120.08116	1.3
124.05109	1.2
153.05429	1.8
153.07018	4.3
167.07016	1.5
177.06950	1.2
181.05052	2.0
181.06485	41.0
182.06982	1.5
195.08067	1.7
197.05963	1.2
198.06773	4.9
208.05254	3.6
209.05981	58.7
210.06644	4.3
213.09126	3.1
223.07549	2.3
226.06267	22.8
227.06763	1.2
241.08603	100.0
242.08896	2.4
265.08267	1.0
403.13858	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	403.1542
Annotation	Ulexin B
Peak:m/z	Relative Intensity
53.03952	1.6
55.01891	3.9
55.05515	9.7
57.03445	2.6
57.07084	1.9
62.02114	1.5
67.05511	10.9
69.03437	4.1
69.07063	9.6
71.04980	1.5
71.47706	1.7
79.05499	13.2
79.34664	1.4
81.03410	5.3
81.07056	12.5
83.05009	2.7
83.08631	5.2
85.02895	2.7
85.06504	1.8
91.05485	14.7
93.07049	17.2
94.04222	2.2
95.04961	3.4
95.08601	14.1
97.02869	2.1
97.06522	4.1
97.61931	1.6
98.88132	1.6
103.05465	18.3
105.07036	27.5
107.04964	9.1
107.08611	9.4
109.06540	6.4
109.10168	3.5
111.04479	2.2
111.08092	4.8
113.24310	1.5
115.05473	7.3
117.07018	8.5
118.04073	1.7
119.05014	1.7
119.08592	5.7
121.06484	2.9
121.10144	3.5
122.03659	6.3
123.08124	2.0
127.07593	1.7
128.06277	4.5
129.01866	1.8
129.07037	7.6
130.07730	2.0
131.04944	20.5
131.08585	9.8
132.80727	1.5
133.06519	10.0
133.10152	5.0
135.07951	2.1
135.11690	2.5
137.05984	69.0
139.07603	3.8
141.07014	3.5
142.07767	3.2
143.08601	6.9
145.06508	4.4
145.10126	9.6
146.03619	11.5
147.04399	2.7
147.08044	3.1
147.11713	3.7
149.06041	3.9
149.09680	2.4
153.07016	4.0
153.09180	2.9
155.08614	5.4
157.06480	2.7
157.10190	5.4
159.08083	2.9
159.11734	6.1
161.05989	100.0
161.09641	3.3
163.07533	19.6
165.07025	2.7
165.61827	1.7
167.08546	3.3
167.10748	2.1
169.10178	5.5
171.08063	4.0
171.11687	4.1
173.09680	2.5
173.13297	2.5
178.79280	1.8
179.08598	2.9
181.06541	6.0
181.10059	1.8
182.07362	2.3
183.11739	3.4
183.50407	2.0
185.13354	3.4
187.07542	2.9
187.14845	1.8
195.08029	2.1
195.11743	2.4
197.06017	3.9
197.13292	3.7
198.06804	5.7
199.07576	3.1
207.08029	2.7
210.06935	1.8
211.07556	3.0
213.09241	2.6
213.12801	1.9
215.14436	2.9
219.08086	3.5
223.07632	2.9
225.05551	3.1
225.09254	2.1
225.12949	1.6
233.97743	1.6
236.08401	3.1
237.09132	2.2
239.06883	2.9
239.10735	2.3
241.08611	32.5
242.09369	9.6
247.07675	4.0
251.10655	4.7
263.07053	3.9
264.07935	6.6
265.10434	2.2
267.10413	1.8
268.08923	2.8
269.09644	3.1
279.10193	23.2
281.09589	4.6
282.10397	2.4
283.11252	6.8
284.12155	3.0
285.09180	4.7
293.09775	2.4
297.09119	2.4
299.10562	7.9
299.19986	2.4
300.11505	4.6
301.21844	2.2
310.09940	3.1
311.10632	13.5
312.11386	8.8
313.08664	6.8
313.21576	2.9
315.13934	4.0
317.11868	2.1
323.10504	2.5
325.12457	2.5
327.10229	11.7
328.10999	15.7
329.11777	4.6
339.10138	11.3
339.22977	2.8
340.11005	4.9
341.08112	2.4
341.11774	2.7
342.12714	4.0
343.09628	2.4
343.13354	16.2
343.22653	4.7
345.11310	5.0
349.21927	2.1
353.11908	4.6
355.09348	8.7
355.22769	2.7
356.10410	9.6
357.11136	4.0
360.13620	2.5
367.22623	10.7
370.12061	3.0
371.12805	96.1
372.13406	13.1
373.10443	5.3
375.16049	10.9
385.23618	13.9
388.13031	8.3
403.15457	96.9
403.24362	27.7
403.35828	16.0
404.15851	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	403.1541
Annotation	Ulexin B
Peak:m/z	Relative Intensity
55.01854	1.9
69.50230	7.6
71.26162	1.2
71.66999	1.3
79.05495	1.7
81.07024	2.5
88.47738	1.2
91.05477	2.7
93.26144	1.4
94.04178	2.2
103.05477	19.1
105.07034	18.8
107.04955	2.6
109.06512	3.6
115.05443	5.3
122.03638	6.3
131.04947	21.2
133.06487	8.5
137.05980	51.7
146.03619	9.8
147.04407	3.0
149.05998	4.7
151.07559	2.8
153.07010	2.2
161.05988	100.0
162.06339	1.9
163.07556	17.6
181.06572	3.2
182.07216	2.0
197.05951	1.7
198.06772	5.2
199.07500	1.8
210.06703	1.8
212.08211	1.6
213.09074	3.4
218.07285	1.7
219.08076	3.4
225.05444	2.7
227.07120	2.0
236.08238	2.0
239.07042	4.3
239.10693	1.8
240.07832	1.5
241.08595	31.4
242.09338	11.5
245.06584	1.5
247.07532	3.5
251.10680	4.7
257.09659	2.5
264.07828	7.0
268.08826	1.8
279.10184	24.6
281.09561	3.0
282.10394	2.3
283.11172	6.0
284.11902	2.8
285.09052	2.1
293.09702	3.1
294.10455	1.6
295.07727	1.9
297.09290	2.2
299.10574	6.9
300.11667	4.6
309.09055	2.4
310.09851	4.5
311.10699	13.8
312.11517	11.3
313.08615	5.4
315.13864	2.5
317.11398	1.5
323.10397	2.4
325.12274	2.3
327.10181	10.0
328.10883	16.2
329.11713	5.2
330.08896	1.6
338.09592	2.7
339.10208	14.5
340.10919	4.2
342.12643	7.0
343.09299	2.4
343.13229	20.4
345.11240	5.8
353.11829	3.3
355.09634	6.8
355.13474	2.3
356.10428	11.9
357.11136	4.0
360.13669	2.8
370.11859	2.2
371.12796	89.7
372.13477	13.4
373.10727	5.9
375.11847	2.9
375.16052	14.6
388.12936	9.6
403.15408	95.0
404.15540	4.2
419.47021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1542
Annotation	Ulexin B
Peak:m/z	Relative Intensity
51.38583	1.5
55.58248	1.3
60.20837	1.5
70.09067	5.1
79.05491	2.8
80.24700	1.3
81.07050	3.0
91.05479	3.1
94.04154	2.0
103.05468	8.1
105.07030	14.0
107.05029	2.0
109.06527	3.1
115.05440	4.2
118.04160	2.0
119.04996	2.0
122.03690	3.2
131.04959	7.4
133.06477	6.7
137.05986	38.3
146.03653	13.5
149.05998	4.1
153.06947	2.5
161.05995	100.0
162.06364	1.8
163.07568	8.3
181.06454	4.7
182.07309	2.1
195.08032	1.8
198.06815	4.7
199.07648	2.7
200.24312	1.4
210.06749	1.7
213.09114	2.5
219.08083	2.7
223.07668	1.9
224.08308	2.8
237.09062	2.5
239.08644	1.5
240.07787	1.8
241.08575	29.1
242.09435	9.3
243.10149	1.4
247.07571	2.5
251.10698	3.1
263.06985	2.9
264.07892	6.5
265.10297	2.9
268.08945	2.8
269.09732	2.6
279.10181	28.9
281.09656	2.8
282.10443	3.5
283.11136	6.0
284.12039	1.9
285.09116	3.3
293.09570	3.0
299.07755	1.5
299.10507	7.0
300.11502	4.9
309.09149	2.0
310.09970	4.0
311.10706	11.0
312.11444	8.3
313.08633	3.4
315.13779	3.7
323.10660	2.3
325.12305	1.7
327.10068	10.3
328.10934	14.2
329.11734	3.4
339.10211	12.3
340.11005	3.9
342.12595	3.8
343.13297	18.2
344.14078	2.9
345.11163	4.6
353.11841	2.7
355.09506	5.5
356.10461	6.6
357.11176	3.5
360.13608	2.2
370.12131	2.4
371.12811	76.2
372.13492	13.8
373.10901	4.0
375.15979	12.8
385.14447	1.6
388.12881	7.9
403.15439	94.5
404.15881	2.3
404.93399	1.4
406.21332	1.4
427.86133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.6
53.03931	0.8
55.05500	1.6
57.46977	0.6
65.03925	0.9
66.04701	0.9
66.13700	0.6
67.05498	1.9
69.07066	1.4
69.26907	6.4
70.06596	0.8
71.30410	0.6
71.93780	0.6
72.37657	0.6
75.12617	0.7
79.05490	2.5
79.37101	0.6
81.07053	2.3
83.08625	0.9
91.05480	2.8
93.07045	1.7
94.04213	5.3
95.04984	1.1
95.08617	2.0
98.21612	0.7
101.55347	0.6
103.05475	26.8
104.05810	0.7
105.07044	2.6
107.04962	9.0
107.08601	1.1
109.06512	1.5
109.10178	1.2
121.10101	0.7
122.03672	9.4
123.08070	0.8
129.07082	0.9
131.04932	33.5
133.06490	1.3
137.05986	100.0
138.06314	1.0
140.15659	0.7
141.07051	0.7
161.06004	7.0
163.07555	34.5
181.06476	3.0
185.09641	0.8
196.05289	4.1
197.06009	2.2
198.06792	1.9
205.06558	0.9
209.05981	1.0
210.06755	1.7
211.07553	3.1
213.09181	1.1
219.07944	0.8
222.06805	0.9
225.05524	3.7
225.09247	0.9
226.06378	0.7
227.06938	0.9
231.08014	1.1
239.06979	1.6
240.07724	3.3
241.08574	10.9
242.09543	0.8
247.07532	2.6
248.08366	1.9
249.05486	0.9
251.10571	1.3
253.08621	1.6
263.06894	0.9
264.07874	2.9
264.78561	0.7
265.08594	2.3
277.08636	1.0
279.10178	6.7
282.10092	1.0
283.11188	1.5
297.09091	1.6
310.09912	0.8
311.10669	4.2
312.11240	1.4
313.08521	1.8
321.09244	0.9
324.08041	0.7
328.11160	1.6
331.09766	2.2
332.10312	1.2
338.09351	0.9
339.10193	3.0
340.11005	2.0
341.64307	0.8
343.13538	1.2
356.10309	0.8
357.11365	1.9
359.09058	0.9
371.12790	28.0
372.13290	3.6
375.12241	14.8
375.16388	0.7
385.34662	1.8
403.15460	13.2
403.35883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05510	1.9
55.72302	1.5
57.50122	1.3
67.05502	2.8
70.61134	3.0
70.61473	1.9
71.26192	1.6
79.05489	4.0
80.90752	1.4
81.03412	1.6
81.07052	4.3
83.19651	1.3
86.05717	1.5
91.05490	2.9
93.07016	2.3
95.08617	3.5
98.14467	1.4
103.05475	4.6
105.04573	1.9
105.07039	1.9
107.04960	100.0
107.08579	2.4
108.05289	2.0
109.10137	1.9
118.15575	1.3
119.02003	1.5
123.08084	1.5
129.06984	1.3
131.04935	4.5
137.05962	9.3
145.03465	4.8
145.10091	2.0
159.11649	2.0
161.05978	2.7
163.07599	5.6
179.81808	1.3
183.79234	1.2
187.08212	7.2
195.05051	2.1
205.09250	3.1
213.06161	4.4
231.07076	1.8
237.09663	3.6
255.10712	4.2
269.15967	3.5
279.14493	6.9
297.15515	15.6
341.14429	4.3
371.12564	4.4
373.09201	5.3
403.15323	7.4
403.24771	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	403.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.0
56.05042	2.6
60.04528	3.8
67.05502	2.6
69.03436	3.4
69.07071	3.9
70.06597	26.5
72.08161	63.3
74.06075	9.5
75.52538	1.4
81.03418	2.7
84.04507	4.2
84.08154	7.6
85.02881	7.6
86.09711	100.0
87.10037	3.0
88.03995	3.7
91.05499	3.5
93.07058	6.3
95.04986	3.3
95.08637	2.1
97.02878	2.0
99.04506	1.8
101.07123	3.2
102.05547	2.1
105.06989	1.4
107.04954	4.8
107.08641	1.8
109.06446	1.3
110.07170	4.9
116.07090	15.7
119.08601	3.1
120.08075	2.1
121.06497	8.7
122.07133	2.1
123.08025	2.1
127.04057	1.4
127.05076	4.0
127.08685	1.6
129.10260	7.7
132.10205	6.1
135.08052	2.3
137.05998	1.8
142.08705	1.7
143.11841	3.2
147.07875	1.4
151.07544	2.2
157.06079	2.1
157.09811	3.0
163.11182	1.5
166.08711	1.6
171.11394	2.1
173.05603	2.8
173.12907	3.8
175.10815	1.7
177.08749	3.6
181.04979	1.9
181.06541	5.0
183.11421	1.9
185.12862	1.9
187.10857	4.4
187.12691	1.4
187.14444	5.6
189.12370	5.6
199.18002	6.5
201.12376	6.8
203.13776	2.0
205.12315	6.2
209.05988	3.8
210.06799	1.6
215.13969	3.5
223.13315	3.1
226.06261	3.9
226.08679	1.3
227.17586	2.3
229.11826	3.5
229.15587	2.1
241.08568	11.4
241.14468	2.7
247.12959	7.3
269.10172	1.5
270.14536	4.7
272.12433	4.2
288.34436	1.3
304.15323	2.0
403.14969	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	404.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88170	1.5
60.13532	1.5
62.87117	1.8
64.63257	1.4
79.05514	2.5
86.98692	1.5
91.05490	4.8
104.05006	13.5
105.05788	24.5
106.06550	7.2
107.07304	1.9
118.06551	5.6
119.03722	8.6
120.04466	13.9
121.06514	2.7
123.06799	3.9
130.02910	2.8
132.04465	49.4
133.05251	39.4
134.06029	12.2
149.03590	2.9
149.04738	42.7
162.05521	25.5
163.06297	100.0
164.07079	65.2
166.08673	2.1
194.08134	43.2
269.04733	1.8
294.96545	1.7
339.75888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04509	1.7
62.83610	0.9
69.07034	1.2
71.48542	1.2
71.48959	1.4
79.05495	1.6
81.07050	1.1
87.47364	0.9
91.05472	5.8
93.07038	1.6
94.04218	1.0
95.04968	1.3
104.04995	11.5
105.03397	1.3
105.05779	21.5
106.05036	1.9
106.06552	4.4
107.04945	2.1
118.06541	6.1
119.03691	9.8
120.04496	11.8
121.06508	4.0
123.06784	3.9
130.02925	2.7
132.04451	45.4
133.05243	35.2
134.02377	2.0
134.06001	12.4
137.05978	1.9
144.04453	1.4
148.03978	1.5
149.04726	41.7
152.70198	1.0
162.05505	24.0
163.06284	100.0
164.07071	63.0
165.07393	1.2
166.08580	1.3
167.06992	2.4
179.05794	1.9
191.32582	1.1
194.08130	39.4
243.77892	1.0
272.22742	1.0
313.16815	1.0
364.76767	1.0
404.15506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40237	0.3
55.01868	1.0
57.36995	0.2
58.78547	0.3
69.49668	1.4
79.63110	0.2
81.03423	0.4
83.08598	0.3
85.02904	0.7
100.11270	0.3
105.04430	0.3
105.13236	0.3
107.04946	0.3
121.81277	0.2
152.06087	0.3
157.06454	0.6
169.06462	1.0
171.08075	0.7
181.06474	3.4
185.06009	0.5
199.07545	2.4
209.07167	0.3
211.07553	0.8
213.09038	0.5
225.09081	0.9
227.07033	29.9
228.07236	0.6
240.81052	0.3
241.08614	2.1
242.09380	100.0
243.09813	2.5
253.08511	0.3
255.10094	0.3
267.10168	0.4
285.11124	0.4
381.42206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01872	1.0
57.03419	0.6
59.81517	0.4
61.02921	1.1
69.03433	4.8
70.06589	3.5
71.04975	1.0
71.48476	0.8
72.08154	1.9
73.02911	0.7
79.05477	1.5
81.03422	3.4
84.08120	1.5
84.18316	0.5
85.02910	12.0
86.09704	2.5
87.00826	5.2
87.10060	0.7
93.07033	1.1
93.22639	0.6
95.04974	1.1
97.02888	4.6
99.04456	1.3
105.01869	7.5
105.07048	0.7
107.04958	100.0
108.05268	1.0
109.02876	3.3
116.07140	0.5
117.07017	0.6
119.08579	1.0
120.08091	1.3
121.06512	4.9
122.06036	1.3
127.03930	7.1
129.01810	0.5
130.04945	0.7
133.06503	1.0
136.06212	1.1
137.09642	1.7
145.04951	2.8
145.06485	0.8
151.07582	0.7
154.06273	0.5
155.01567	0.6
156.07709	1.0
159.02907	1.6
161.13277	1.4
163.07553	1.7
167.01697	0.6
167.07028	0.6
181.06351	0.5
187.07588	1.6
189.03979	1.1
196.04352	2.9
205.08598	1.1
207.01169	0.9
207.13757	1.2
229.08560	2.7
231.05093	1.3
298.09250	1.8
299.07004	4.5
312.09772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	0.6
57.03434	0.4
69.03419	1.0
70.03186	0.6
70.03576	0.9
70.06597	0.7
71.05002	0.4
72.08140	0.7
79.05489	1.0
81.03419	0.6
82.46190	0.4
83.87494	0.3
84.04507	0.4
84.08131	0.6
85.02903	2.8
86.09695	0.7
87.00824	1.0
95.04989	0.7
95.08595	0.3
97.02924	0.8
98.21436	0.4
101.05998	0.4
105.01881	1.5
105.04538	0.5
107.04958	100.0
108.05277	0.8
109.02872	0.6
117.24535	0.3
119.08603	0.8
120.08134	0.5
121.06500	0.7
124.07619	0.3
127.03931	1.2
145.04951	0.6
161.13217	0.4
162.84557	0.3
163.02145	0.3
163.07594	0.5
189.12733	0.7
196.04286	0.8
207.13835	0.6
210.06361	0.4
229.08806	0.4
242.09232	1.2
299.06796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
51.50250	0.3
53.01395	0.3
53.03941	1.0
54.14572	0.3
55.01881	0.5
55.05494	0.2
55.25318	0.3
55.80828	0.3
65.02162	0.3
69.03427	0.9
69.53594	2.2
70.06590	0.7
72.08158	0.6
79.05512	0.7
81.03413	1.0
84.04483	0.4
84.08150	0.5
85.02921	2.8
86.09711	1.0
87.00838	0.8
87.09998	0.3
91.05481	0.6
93.07033	0.4
95.04958	0.9
95.08578	0.3
97.02879	0.8
98.21551	0.4
99.04425	0.4
105.01878	1.2
105.04528	0.4
105.07016	0.4
107.04957	100.0
108.05273	1.4
109.02880	0.4
119.08610	0.6
120.08087	0.5
121.06505	1.0
124.07552	0.5
127.03868	1.7
137.05956	0.3
138.09215	0.3
145.10034	0.3
161.13255	0.6
163.07547	0.3
181.06509	0.4
187.07541	0.3
189.12758	1.3
196.04320	0.9
207.13953	0.4
213.13750	0.3
227.06981	0.4
229.08670	0.5
242.09364	1.9
243.06651	0.4
295.68741	0.3
299.06940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	13.2
69.34468	8.1
69.34879	11.2
72.07105	2.3
78.28380	2.1
81.03391	3.8
85.02905	13.3
91.05482	11.1
95.04958	3.9
95.08604	2.7
97.02902	5.8
104.59583	2.8
105.07014	5.5
107.04968	4.5
107.08641	3.7
109.06551	22.8
119.08597	11.6
120.47763	2.4
121.10141	5.1
123.08071	10.5
127.03950	4.5
129.07007	2.9
131.08597	24.0
133.06517	4.3
147.08061	22.7
149.09602	4.0
151.07561	100.0
156.09320	2.6
161.09612	3.9
163.11220	7.5
171.11716	9.0
189.12773	37.8
207.13811	85.9
207.15758	4.4
208.14018	2.7
226.85434	2.6
231.13721	3.3
250.23961	2.7
260.19531	2.5
369.19080	13.2
406.30542	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51421	1.6
64.27884	1.7
67.05520	2.0
68.62845	1.7
69.03439	2.6
69.26719	15.9
83.04963	2.1
85.02896	3.5
95.04929	1.9
95.08617	3.5
107.04977	2.4
109.06512	2.1
121.10167	2.6
123.08072	100.0
149.09668	3.0
151.11147	2.6
181.12222	7.9
207.13878	5.3
225.14908	14.1
232.42848	2.1
311.05295	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.9
55.05515	8.4
57.03466	6.3
63.14658	5.4
63.40001	6.0
66.03978	5.9
69.16968	63.9
81.07074	12.6
83.04971	10.8
85.02912	28.4
86.09711	7.8
99.04492	5.7
105.07076	6.6
107.04984	10.1
107.08561	7.7
109.06540	15.0
111.08096	10.6
119.08588	13.8
120.08101	7.1
121.10139	7.6
123.11700	14.4
125.55082	6.9
135.08128	7.0
137.09627	34.3
147.11707	18.6
149.09648	8.4
161.13290	9.1
163.11156	6.8
165.12779	100.0
189.12788	19.4
207.13821	73.6
214.24887	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90302	2.7
55.05511	4.4
57.03431	5.2
67.05513	3.6
68.03705	3.3
69.03414	3.3
69.53432	19.0
70.06593	25.8
81.03426	4.6
81.07054	2.8
84.04503	3.4
84.08163	3.9
85.02902	3.7
90.66217	2.8
91.05476	4.5
95.04977	4.9
95.08633	4.2
100.11182	2.8
103.69119	2.8
105.07044	6.5
107.04955	27.0
107.08542	4.7
108.08171	3.2
109.10157	3.9
114.43011	2.5
119.08583	10.3
120.52901	2.4
121.02914	2.7
123.04382	3.4
123.08079	100.0
125.09579	6.6
133.10107	3.0
134.10541	3.7
137.09688	2.6
149.05940	2.8
151.07538	3.6
167.07011	3.4
170.57727	2.5
189.12746	3.5
207.13814	61.7
225.10225	4.4
225.14888	4.7
253.09752	7.2
280.19098	8.9
281.09198	12.2
298.20117	13.2
299.07184	5.2
309.08795	15.3
311.10165	3.9
325.35141	2.8
327.09781	6.6
337.08368	3.0
355.09479	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15602	14.6
51.04811	11.7
52.01377	13.2
53.03945	18.8
55.05527	75.7
56.05041	26.1
57.03437	33.5
67.05511	82.9
69.07059	40.3
70.06601	18.8
70.33678	65.6
71.08620	46.1
79.05508	64.2
81.07063	100.0
82.07389	18.3
83.08612	50.4
91.05482	66.6
93.07067	69.3
95.08611	36.9
97.06567	17.4
97.10162	50.4
99.08103	46.1
103.05463	37.8
105.07025	50.7
107.04953	45.5
107.08618	51.6
109.10146	35.9
111.08089	19.8
112.07652	17.4
113.10264	15.9
117.07034	22.6
119.08578	56.8
121.10168	22.0
125.09609	57.4
130.05844	13.5
131.04932	27.4
131.08554	19.7
132.05322	20.0
133.10136	20.7
137.06006	41.1
138.06273	24.6
140.14360	36.8
149.13249	20.6
151.11176	15.7
159.07945	14.4
159.11801	18.6
161.05927	15.5
161.13211	18.6
164.07996	20.3
173.11786	35.7
189.11266	31.3
227.12833	35.3
229.14359	14.9
242.09140	15.4
245.13809	25.7
253.17986	23.7
268.19135	28.8
269.17453	25.6
277.21692	21.2
286.20123	49.7
320.57458	15.0
351.25290	43.4
368.23349	16.7
372.13159	36.2
373.14511	17.7
386.23993	25.0
386.28839	19.6
404.15765	63.5
404.24890	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	405.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99583	2.5
64.04736	0.7
65.03928	1.2
67.05544	1.0
70.02949	2.5
70.03421	3.4
72.42463	0.8
76.03998	1.9
79.05480	1.3
81.03400	0.8
81.07030	1.2
86.00651	10.3
86.99017	1.2
91.05460	1.9
93.03397	2.2
93.07066	0.8
93.44768	0.9
95.04974	1.0
95.69815	0.8
96.45049	0.9
97.29617	0.8
99.05571	1.1
105.07024	1.1
107.04959	58.1
108.05233	1.0
109.02879	1.2
111.04443	6.9
116.01660	5.9
119.08582	1.0
122.06038	1.0
123.04430	7.3
124.68166	0.9
127.03918	1.2
137.05956	2.5
138.05496	34.5
138.06552	1.9
143.02744	1.6
144.01154	1.7
145.06117	2.6
146.45760	0.9
147.04434	1.1
149.04732	14.4
150.05492	11.1
153.00043	3.7
162.02165	1.4
162.05478	7.1
163.06311	2.1
167.07066	4.5
171.80550	0.9
179.01691	5.0
179.74879	1.0
189.03282	3.5
196.04257	15.7
196.06064	20.2
197.05988	1.1
225.05444	1.9
225.10210	3.3
239.11858	0.9
253.09766	2.1
267.11234	2.7
282.04279	1.3
285.12570	0.8
295.10654	1.9
299.06976	100.0
300.07141	1.9
313.08383	1.2
313.11841	11.2
341.11395	2.1
345.14349	1.7
351.73581	0.9
363.69089	0.9
373.13879	6.6
405.06061	1.4
421.41489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1546
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	0.6
57.03427	0.9
60.45941	0.4
61.02919	1.4
65.07344	0.3
69.03428	3.7
69.73866	0.6
69.74262	1.2
72.10586	0.3
73.02905	0.8
81.03403	1.4
85.02443	0.6
85.02911	8.5
87.04457	0.7
91.05457	0.4
94.57763	0.4
97.02886	2.3
98.09645	0.4
99.04478	0.4
107.04948	0.7
109.02875	0.9
115.05433	0.4
125.05924	0.3
127.03922	1.4
127.85362	0.3
137.05962	0.8
140.51921	0.4
141.07039	0.7
145.04955	0.5
145.06442	0.9
152.06226	0.4
153.06992	1.2
154.07747	0.6
155.08531	1.1
157.06482	0.7
165.07008	6.3
166.07796	0.6
167.07039	2.6
167.08575	2.6
169.06459	0.6
178.25719	0.4
179.08588	1.5
181.05049	0.5
181.06348	1.9
182.07289	2.9
183.08061	7.7
185.09634	0.5
187.07579	0.5
193.06494	1.2
193.08873	0.4
194.07114	0.6
195.07904	0.7
195.11275	0.5
197.06004	1.0
197.09622	7.3
198.06726	0.4
199.07587	0.5
200.08353	0.8
201.09172	0.3
207.08029	0.8
210.06776	4.3
211.07561	12.5
212.08324	7.3
213.05525	1.0
215.10658	2.0
223.07332	0.4
224.08369	0.4
225.09111	9.8
226.09868	2.2
227.07005	1.6
228.07750	7.1
229.08617	0.6
232.55490	0.4
235.07640	0.6
236.08359	1.2
239.10675	1.3
241.08557	1.7
242.09343	2.6
243.10167	100.0
244.10419	2.5
247.76169	0.4
249.09152	0.5
252.07889	0.6
253.08647	1.3
255.10168	1.8
267.10144	3.7
279.10269	0.7
285.11209	3.8
309.11102	1.5
369.13562	0.5
405.06396	2.2
405.15350	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46809	2.4
55.01870	4.6
55.05504	10.7
55.44822	2.5
56.05026	3.3
57.03429	5.8
57.63873	3.5
61.02920	5.7
66.72068	3.1
67.05495	9.7
69.03432	19.2
69.07071	6.7
70.06604	23.1
70.71597	5.1
71.04983	3.8
71.06912	2.8
72.08169	5.5
73.02909	4.5
76.04716	2.5
76.27412	2.1
79.05483	5.4
81.03416	8.4
81.07056	14.2
83.04961	2.9
84.04516	5.4
84.08156	18.4
85.02907	53.4
85.06528	9.1
86.09712	24.2
87.04483	2.7
91.03946	3.6
91.05477	4.7
91.98289	2.2
93.07035	9.8
95.08601	5.6
97.02905	15.4
97.06556	7.7
99.04481	5.3
99.08089	5.4
101.06000	11.6
105.01852	2.9
105.07022	6.4
107.04957	11.1
107.08577	9.5
109.02955	2.8
109.10184	6.2
111.08101	9.0
116.07058	2.2
119.08563	5.3
120.08142	11.0
121.02808	2.8
121.06512	2.5
121.10149	14.5
123.11715	4.2
125.06021	2.7
127.03928	11.0
127.07560	22.6
129.05487	3.9
129.10229	8.4
130.06540	2.3
131.04951	2.8
131.15016	2.5
135.11687	8.9
136.07587	5.5
137.05948	3.4
138.09129	3.2
139.11176	32.6
144.08054	3.0
145.04973	16.7
145.10092	4.3
151.07559	2.9
152.82292	2.4
153.12732	9.5
156.10223	12.9
157.10597	12.0
159.09218	3.7
163.11203	7.5
165.07138	2.6
173.13205	4.0
181.12254	21.0
198.96545	2.7
199.13307	100.0
209.15450	3.8
225.14822	4.6
233.08086	2.4
238.07297	2.5
243.07149	2.9
247.10735	2.4
253.09673	4.6
259.10999	3.6
272.17676	2.7
281.09387	5.8
281.34717	2.3
287.14511	3.4
297.12576	2.4
305.08029	2.5
309.08649	11.2
313.65216	2.5
405.06107	2.8
405.11810	3.6
405.16617	4.3
405.20963	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03934	8.8
54.64199	2.8
55.01871	10.9
55.05513	30.1
57.03431	8.2
58.49599	2.6
67.05508	70.7
69.03434	30.6
69.07071	23.9
71.01353	3.0
71.04989	9.6
73.02969	3.0
79.05497	50.1
79.05929	5.6
81.03421	27.5
81.07056	71.9
81.07529	4.4
83.04984	13.6
83.08636	13.5
85.02882	10.7
85.06548	5.2
91.05486	57.4
93.07053	59.6
93.40017	2.7
95.04984	15.3
95.08611	57.7
97.02884	13.2
97.06529	10.3
97.10182	8.4
98.20615	5.4
99.04435	5.6
103.05491	4.1
105.07035	66.9
105.07704	5.6
107.04948	9.6
107.08595	44.2
109.02923	3.5
109.06514	10.1
109.10158	26.3
111.04407	13.7
111.08104	4.9
115.05448	5.1
117.07022	34.5
117.07785	4.6
119.08589	57.0
121.06496	10.8
121.10152	31.3
123.04433	5.6
123.08064	9.8
123.11707	10.0
125.09644	3.6
126.07096	2.8
127.03945	5.8
128.06218	3.8
129.05487	5.4
129.06978	17.3
130.07785	3.3
131.08571	48.0
133.06496	8.6
133.10121	36.2
135.08067	10.7
135.11673	20.2
137.05936	3.6
137.09679	3.8
139.07515	3.3
141.07002	8.7
142.07823	6.7
143.08540	19.0
145.06477	9.5
145.10129	31.5
147.08047	11.3
147.11707	32.5
149.05989	4.3
149.09627	8.3
149.13242	12.0
151.11137	3.8
153.07014	4.4
153.09161	3.3
154.64426	3.2
155.08578	10.5
157.06543	6.8
157.10158	18.8
159.08064	7.0
159.11700	32.3
161.06039	3.2
161.09654	5.5
161.13248	16.6
163.07643	4.7
163.11215	6.1
167.07115	4.0
167.08493	4.0
169.10107	12.6
171.08078	4.9
171.11719	19.4
171.46410	3.0
173.09590	7.2
173.13249	14.9
175.11188	8.4
175.14793	6.1
181.10089	5.2
183.11729	9.7
185.09608	6.3
185.13264	16.9
187.11159	8.5
187.14822	11.2
189.12708	7.0
195.11635	3.4
197.09622	4.5
197.13254	13.0
199.14847	10.6
201.12704	6.6
203.14311	3.8
209.13271	6.2
211.10973	3.1
211.14949	4.6
213.12759	5.8
215.14426	4.5
241.19612	6.2
259.20630	5.8
271.20551	5.6
273.22110	11.3
275.19949	3.9
277.21655	7.2
285.22128	6.8
289.21652	7.6
291.23215	6.7
297.22198	4.0
299.23706	3.9
301.21640	10.4
303.23282	10.0
313.21655	5.5
315.23117	11.9
319.22675	10.5
323.23813	3.8
327.23129	11.9
331.22650	8.1
341.24820	15.7
345.24301	12.3
351.23160	17.6
359.25778	6.1
369.24234	56.1
387.25299	60.3
405.26361	100.0
405.31653	6.2
405.37427	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	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.6
53.03935	12.4
55.01857	5.1
55.05511	43.8
57.03423	4.9
65.03915	5.1
67.05505	66.4
69.03413	4.9
69.07067	35.7
70.06583	3.3
70.13162	11.7
71.04970	8.8
71.29982	2.7
74.09682	5.6
79.05494	50.8
81.03403	4.2
81.07059	71.4
83.04961	6.8
83.08612	35.8
85.06532	5.6
89.27528	3.3
90.64886	3.4
91.05480	98.6
93.07044	63.5
95.04952	11.2
95.08610	45.5
96.89886	2.6
97.06499	7.5
97.10142	7.3
103.05464	7.8
105.04498	3.8
105.07030	64.5
107.04939	9.2
107.08593	22.3
109.06512	7.5
109.10155	16.9
111.08076	9.1
115.05446	7.1
116.06250	4.4
117.07012	58.5
119.04942	3.3
119.08582	38.1
121.06502	10.3
121.10129	21.9
123.08051	4.3
125.09597	4.4
128.06212	13.1
129.07001	57.4
131.04947	9.0
131.08568	100.0
133.06511	5.6
133.10103	19.2
135.08067	7.2
135.11697	9.9
137.06010	3.4
139.11214	6.2
141.06982	22.1
142.07756	6.1
142.13513	2.6
143.08571	45.8
145.06491	8.1
145.10120	34.7
147.07965	7.3
147.11713	6.0
149.05914	3.1
149.09618	10.2
154.12265	3.2
155.08568	23.8
157.06541	4.0
157.08850	5.1
157.10120	24.5
159.08066	8.0
159.11688	13.5
161.09503	3.6
161.13182	3.7
165.06944	4.8
167.08598	15.4
169.10080	19.0
171.08025	5.2
171.11670	16.1
173.13280	8.4
175.09700	6.0
175.11160	7.2
178.07961	3.6
179.08615	6.4
181.10129	18.4
183.11703	14.1
185.09550	5.6
185.13202	8.8
193.10104	4.8
195.11681	13.8
197.13226	8.3
199.14902	4.3
201.12804	3.8
205.10204	4.0
205.12170	5.0
207.11716	4.2
207.13881	3.7
209.13264	8.7
211.14771	7.7
221.13237	12.9
223.14835	15.6
224.84328	3.1
225.12697	3.9
233.15340	12.5
235.14806	6.4
239.14250	8.3
241.15843	3.5
243.17372	3.2
247.16826	4.8
249.16406	3.7
253.15967	6.2
257.15302	11.7
259.16891	4.5
271.16855	6.9
273.18326	3.7
285.18314	5.0
289.31195	3.0
323.23569	7.5
333.22043	17.1
341.24747	13.3
351.23148	41.7
369.24307	33.2
387.25388	35.6
405.13165	5.8
405.21570	5.8
405.26395	8.0
406.35172	5.1
420.81223	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03940	9.4
55.01865	12.2
55.05509	32.4
57.03427	11.9
64.82720	3.0
67.05507	68.3
69.03433	24.3
69.07082	27.3
71.01349	5.2
71.04992	9.0
71.22054	7.3
72.23137	3.0
73.02917	7.0
79.05083	4.4
79.05497	59.9
81.03427	26.1
81.07059	90.2
83.04994	16.7
83.08623	14.1
85.02911	10.1
85.06537	7.2
90.57296	2.9
91.05492	71.7
93.07047	70.5
95.04962	13.2
95.07999	3.2
95.08607	61.4
97.02889	13.2
97.06522	11.4
97.10155	6.3
99.04457	7.0
103.05469	12.2
105.04535	3.5
105.07033	72.9
107.04961	18.6
107.08595	47.4
108.01913	3.0
109.02841	5.0
109.06507	13.3
109.10172	29.5
111.04433	16.5
111.08060	6.8
115.05434	4.9
117.07029	39.6
118.40078	2.8
119.08582	54.7
121.06512	7.5
121.10144	26.0
122.03751	3.7
123.04447	7.2
123.08076	9.7
123.11708	8.8
125.09638	7.4
125.82131	3.1
127.03950	5.5
128.06204	8.7
129.05519	4.0
129.07001	26.5
130.07817	3.5
131.04936	15.4
131.08577	56.0
133.06502	12.7
133.10135	39.7
135.08034	12.4
135.11705	22.5
137.05968	9.4
137.09604	5.7
141.07013	7.9
142.07806	7.5
143.08556	26.9
145.06483	8.3
145.10129	39.6
147.08073	8.7
147.11690	33.9
149.09636	10.2
149.13289	13.2
151.07542	4.2
151.11194	4.0
155.08559	16.2
157.06500	5.8
157.10141	22.1
158.75102	2.7
159.08052	5.9
159.11697	36.8
161.05887	4.4
161.09625	7.6
161.13254	16.9
163.07431	5.6
163.11171	5.8
163.14859	3.8
165.12823	3.5
167.08559	3.2
169.10129	14.5
171.08055	6.7
171.11662	22.6
173.09663	5.5
173.13304	22.9
175.07585	3.8
175.11154	8.1
175.14836	3.9
181.10031	4.0
183.08040	4.4
183.11703	9.6
185.09604	4.8
185.13246	14.6
187.11180	4.3
187.14842	11.2
189.12727	6.7
193.10159	3.1
195.11723	4.7
197.13319	11.1
199.11275	4.6
199.14900	5.9
201.12775	6.8
211.14798	4.3
213.12729	6.3
213.16359	5.4
215.14355	3.6
221.13344	4.6
223.14937	3.3
225.16397	4.7
227.14171	4.3
233.15346	4.1
241.19443	3.2
245.15369	3.5
259.20624	7.1
271.20642	6.3
273.22217	8.8
277.21591	6.4
285.21994	4.7
287.20096	4.1
287.23773	3.1
289.21671	9.2
291.23227	5.6
297.22208	5.4
301.21640	17.0
303.19897	4.3
303.23166	10.6
313.21585	7.6
315.23251	12.3
317.24680	6.1
319.22668	8.7
327.23203	12.5
331.22629	5.1
341.24814	18.3
345.24265	10.8
351.23169	15.9
369.24225	59.2
387.20956	6.7
387.25330	46.1
405.17596	3.9
405.21310	6.7
405.26385	100.0
405.31665	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	405.2631
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03937	9.8
55.01867	11.1
55.05513	37.7
57.03426	11.5
57.07057	7.2
65.03936	6.9
67.05187	5.0
67.05509	71.5
69.03432	29.1
69.07063	31.2
71.01344	6.1
71.04979	13.3
79.05084	6.1
79.05497	77.5
81.03408	30.8
81.06595	6.4
81.07055	90.7
83.04967	19.4
83.08609	14.1
85.02889	10.9
85.06525	4.6
87.04446	3.9
91.05486	82.9
93.06483	6.9
93.07038	85.4
95.04962	15.6
95.08610	67.1
97.02885	12.7
97.06519	9.6
97.10155	10.6
98.21622	7.7
99.04454	13.7
103.03960	4.2
105.04524	3.9
105.07032	77.5
107.04928	16.4
107.08595	51.6
109.02863	8.4
109.06509	11.1
109.10161	32.3
111.04425	14.6
111.08064	6.0
115.05436	7.4
117.07011	39.6
119.04982	4.9
119.07803	6.1
119.08580	63.0
121.06479	13.6
121.10143	35.5
121.48624	3.7
123.04438	7.3
123.08043	10.0
123.11709	9.1
125.05956	4.6
125.09599	5.1
127.03879	11.2
128.06232	4.9
129.07018	28.5
131.08559	54.7
133.06458	8.3
133.10124	39.3
135.08072	8.5
135.11700	16.9
137.06001	7.1
137.09601	5.4
141.07001	9.5
142.07837	4.9
143.08513	21.9
145.06490	9.3
145.10112	46.2
147.08003	14.1
147.11699	33.1
149.09601	8.4
149.13258	10.3
151.07570	6.4
151.11197	5.0
153.09117	3.8
155.08568	11.4
156.09406	4.1
157.06479	5.4
157.10133	13.5
159.08043	5.3
159.11697	31.3
161.06018	4.9
161.09627	9.0
161.13261	12.8
163.11133	4.3
163.14883	7.7
167.08479	5.1
169.10150	11.7
171.11681	18.6
173.09650	6.8
173.13231	24.4
175.11140	14.7
175.14786	7.4
177.12717	5.0
181.10130	6.5
183.11714	12.1
185.09604	6.0
185.13177	17.2
187.11205	8.5
187.14789	8.4
189.12753	6.3
191.10692	4.0
191.14343	4.3
195.11668	5.3
197.13275	10.1
199.14822	11.1
201.12744	5.6
203.14279	4.6
209.13385	6.3
209.15269	4.1
213.12727	6.3
213.16341	5.5
229.55196	5.6
259.20493	6.3
261.22141	3.7
271.20627	5.8
273.22083	4.8
277.21564	9.6
285.22052	7.8
287.23605	4.8
289.21478	8.1
291.23175	6.6
301.21591	15.6
303.23422	4.8
313.21585	10.9
315.23141	15.0
319.22760	12.9
327.23126	5.8
331.22690	4.7
341.24689	12.0
345.24127	11.9
351.23154	12.0
357.24109	4.3
359.25787	4.2
369.24228	45.7
387.25293	42.0
405.26373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.20668	6.3
53.03941	12.8
54.78087	5.8
55.01877	13.4
55.05513	31.1
57.03433	15.0
58.86203	4.7
60.71480	5.1
63.32883	5.4
64.71244	5.5
67.05511	82.5
68.09591	6.1
69.03443	38.0
69.07071	38.8
69.46194	15.3
69.46612	24.2
71.04996	5.9
77.78903	5.0
79.05499	65.5
81.03424	36.6
81.07061	100.0
83.04976	13.9
83.08607	22.4
84.58847	5.8
85.02889	13.1
85.06530	8.5
91.05491	82.2
93.07050	81.8
95.04963	23.0
95.08060	8.1
95.08619	71.9
97.02880	14.0
97.06539	7.9
97.10153	6.5
99.04501	5.4
105.04516	8.5
105.07045	72.2
107.04969	9.9
107.08588	51.5
109.02887	10.5
109.06524	16.8
109.10164	32.7
111.04473	13.6
111.08127	5.8
117.07043	35.2
119.08595	63.1
119.58352	5.2
121.06515	9.2
121.10152	42.2
123.08064	11.7
123.11687	12.3
129.07013	26.4
131.08585	49.6
133.06464	8.5
133.10167	52.0
135.08083	11.4
135.11740	28.1
137.06024	9.9
137.09627	7.2
141.07043	10.2
142.07784	6.5
143.08556	34.1
145.06456	12.9
145.10132	47.4
147.08046	11.7
147.11726	32.8
149.09637	10.7
149.13269	15.9
153.06976	10.0
155.08582	11.8
157.10126	23.7
159.08128	9.4
159.11702	44.2
161.09671	5.9
161.13286	19.7
163.11140	7.1
163.14786	5.3
165.09128	6.1
169.10138	16.4
171.11713	23.8
173.09732	9.4
173.13281	24.6
175.11185	11.2
175.14740	7.2
181.10161	12.5
183.11667	13.7
185.09637	8.0
185.13342	16.1
187.14764	13.0
195.11684	6.7
197.13423	9.7
199.11069	5.7
199.14810	11.1
211.14990	8.0
213.12784	7.6
215.14168	6.8
217.75562	6.0
223.14714	9.1
227.14340	6.0
237.16418	9.9
260.46237	6.1
271.20743	10.3
273.22159	9.4
289.21597	13.5
303.23248	9.7
315.23224	14.6
319.22827	7.2
331.22556	8.1
341.24652	23.0
345.24338	13.1
351.23264	24.4
369.24222	51.5
387.25284	65.1
405.06442	5.5
405.26279	99.8
405.31082	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03944	11.4
55.01874	14.0
55.05281	2.7
55.05514	34.4
57.03424	10.9
57.07048	4.2
65.03938	4.9
66.97466	2.3
67.05508	70.9
69.03431	30.0
69.07073	24.3
70.13414	6.9
71.01337	3.2
71.04984	9.3
71.08655	2.6
79.05497	63.0
81.03418	26.9
81.07058	70.2
83.04984	15.1
83.08617	16.7
85.02892	9.5
85.06541	4.0
86.02541	2.2
91.05484	74.5
93.07050	71.1
95.04990	16.6
95.08609	54.7
97.02892	11.8
97.06535	11.0
97.10167	5.7
98.03323	2.4
99.04433	7.1
103.05463	4.9
105.04520	3.3
105.07034	68.9
107.04957	13.3
107.08598	45.7
109.02856	8.0
109.06506	10.2
109.10168	28.8
111.04462	12.5
111.08060	5.0
113.49518	2.5
115.05470	3.7
117.07010	36.6
119.04943	2.5
119.08581	60.0
119.09383	5.1
121.06526	11.3
121.10143	33.4
123.04439	3.4
123.08057	7.8
123.11694	9.1
125.09643	5.1
127.03915	6.5
128.06192	9.5
129.05441	6.9
129.07004	24.2
130.07797	3.8
131.04939	3.5
131.08569	53.0
133.06487	7.9
133.10138	36.1
135.08047	7.7
135.11694	17.6
137.05945	3.2
137.09596	2.9
137.13359	2.4
141.06985	8.4
142.07735	6.3
143.08586	23.6
144.09268	2.3
145.06488	9.5
145.10141	45.2
147.08057	12.3
147.11688	32.6
149.09660	7.6
149.13269	10.2
151.07570	3.1
151.11119	2.6
153.09079	2.4
155.08557	11.7
157.10149	22.7
159.08043	6.0
159.11696	33.0
159.81229	2.4
161.09595	6.8
161.13289	11.5
163.11195	6.5
163.14819	4.8
165.12680	3.1
167.08563	4.3
169.10132	10.8
171.08052	5.1
171.11693	22.0
173.09682	6.2
173.13228	19.4
175.11211	9.1
175.14821	6.8
181.10141	7.9
183.08072	3.9
183.11646	9.5
185.09633	5.5
185.13277	14.4
187.11230	5.9
187.14824	11.8
189.12750	5.6
195.11746	5.3
195.13710	2.4
197.09494	3.3
197.13263	7.2
199.11188	5.6
199.14833	8.6
201.12724	4.2
203.14351	2.5
205.12434	3.5
209.13313	3.1
211.14706	3.3
213.12756	4.1
213.16408	5.4
215.14409	3.9
219.13664	2.5
221.13319	3.2
225.12799	3.4
225.16272	2.8
227.14320	4.9
233.15439	3.1
243.17377	2.3
243.20721	3.1
244.40813	2.6
255.21086	2.6
259.20572	8.2
271.20648	7.6
273.22104	9.9
275.20102	3.3
277.21689	8.4
283.20657	4.7
285.22208	6.0
289.21585	11.1
291.23248	5.9
297.22150	5.3
299.23492	4.1
301.21613	11.3
303.23181	8.2
309.21814	3.3
313.21655	3.9
315.23343	17.0
319.22781	8.7
323.23508	4.4
327.23285	10.4
331.22647	7.2
341.24811	11.8
345.24341	8.7
351.23141	16.2
359.25848	5.7
369.24265	53.4
387.25269	42.9
405.06042	3.4
405.26355	100.0
406.26273	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	405.2639
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03946	12.8
55.01868	13.4
55.05516	42.5
56.49016	2.9
57.03435	12.2
57.07077	6.8
57.98971	2.9
65.03954	4.5
67.05511	90.4
69.03088	4.3
69.03438	47.8
69.07072	41.8
69.40953	24.8
71.01327	3.7
71.04992	11.7
73.02903	5.3
75.23952	3.1
79.05502	73.5
81.03429	37.7
81.06595	5.6
81.07064	97.9
83.05001	17.5
83.08609	14.9
85.02924	12.1
85.06564	4.7
87.04487	4.2
91.05489	77.0
93.07048	88.3
95.04982	16.2
95.08612	70.9
97.02895	18.9
97.06528	15.4
97.10162	11.0
98.21536	5.2
99.04459	6.8
99.08030	3.7
103.05463	4.9
105.04527	3.8
105.07043	89.1
107.04967	20.4
107.08605	56.1
109.02878	9.8
109.06516	16.3
109.10170	29.4
111.04450	13.6
111.08085	7.1
115.03885	3.6
115.05434	5.6
117.07021	41.8
119.08592	61.0
121.06499	13.2
121.10144	32.0
121.97983	3.5
123.04460	5.1
123.08058	5.2
123.11697	9.2
125.09573	6.8
127.03892	10.8
128.06218	6.5
129.05495	6.4
129.07018	30.0
130.07762	5.0
131.04956	5.2
131.08578	57.8
133.06494	11.8
133.10139	41.5
135.08054	13.4
135.11719	26.0
137.05981	4.6
137.09621	10.8
139.07568	3.6
139.11223	3.3
141.06990	12.8
142.07800	8.2
143.08562	30.5
144.09320	4.4
145.06476	9.5
145.10146	50.9
147.08035	11.7
147.11684	37.2
149.09593	7.7
149.13269	13.3
151.07536	7.7
153.05563	3.2
155.08540	13.0
156.09309	3.7
157.06570	4.2
157.10143	23.8
159.08069	10.0
159.11720	38.5
161.05936	4.4
161.09627	11.1
161.13266	15.5
163.11154	9.0
163.14815	4.6
165.09084	3.8
167.08612	6.5
169.10101	12.0
171.08090	8.4
171.11646	18.4
173.09665	7.2
173.13263	26.9
175.11208	10.5
175.14833	10.8
177.12704	5.4
181.08614	3.5
181.10141	6.6
183.08118	3.3
183.11696	11.0
185.09602	7.4
185.13242	15.5
187.11237	5.6
187.14821	11.4
189.12759	3.6
189.16367	4.3
195.11716	9.3
197.13280	11.2
199.11215	5.2
199.14810	4.7
201.12785	6.6
201.16385	4.9
203.10626	4.2
203.14305	4.0
209.13445	3.1
211.14760	3.2
213.12834	6.0
213.16312	5.2
215.69507	3.2
217.15955	5.1
223.14815	3.8
223.16872	4.0
255.21127	5.5
259.20648	7.3
261.22125	6.9
271.16968	4.1
271.20367	3.3
273.22147	10.6
277.21671	6.7
279.23294	5.2
285.22116	5.6
287.23746	4.6
289.21619	10.4
299.23581	3.4
301.21552	12.0
303.23227	9.1
313.21741	7.2
313.25607	4.0
315.23203	17.6
319.22559	9.0
323.23819	5.7
327.23239	10.4
331.22717	3.7
341.24768	17.7
341.29102	3.2
345.24228	11.6
351.23132	16.6
359.25870	7.5
365.89969	3.2
369.24277	49.6
387.25320	59.9
405.06033	5.2
405.26309	100.0
405.37228	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	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03925	1.4
54.69226	1.0
55.01860	2.7
55.05504	4.6
57.07067	9.5
65.55685	1.0
67.05498	11.2
69.07059	4.8
69.54087	3.1
69.54520	4.2
71.08626	5.2
75.89474	1.0
78.92826	1.0
79.05482	2.1
81.07034	5.7
83.04972	1.3
83.08621	2.8
85.10178	3.4
87.70660	1.0
91.05474	7.2
93.07043	36.5
95.04975	1.4
95.08605	21.8
97.06562	1.1
100.58351	0.9
105.07037	1.8
106.71399	1.0
107.08588	7.0
109.10148	3.2
111.08073	18.3
114.88883	1.1
119.08578	2.8
121.06511	3.0
121.10129	2.7
121.30454	0.9
123.08101	2.0
123.11703	1.8
123.90076	0.9
125.09653	2.0
127.07539	1.5
132.60614	1.0
133.10165	1.6
135.08051	2.0
135.11682	1.8
137.09708	1.0
139.07544	17.2
145.10110	2.1
153.09129	9.1
159.11729	1.4
167.10641	6.8
173.13306	1.6
177.12744	1.4
181.12308	3.6
195.13823	3.1
205.15938	1.4
209.15408	3.3
223.16931	2.3
223.21754	1.1
270.79340	1.1
387.36224	4.4
405.37299	100.0
406.37631	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50111	0.9
55.01866	3.7
55.05508	1.9
56.05035	7.3
57.03434	4.9
58.99584	12.9
68.05025	1.5
69.07064	1.9
70.06600	4.5
70.81585	1.5
72.08161	1.7
73.01125	1.9
74.00671	1.3
74.27525	0.8
76.02227	20.5
76.04016	2.2
79.05504	4.3
81.07050	21.1
82.06595	1.3
83.06092	2.4
84.04508	25.8
84.08125	1.6
85.01121	4.4
85.02901	1.6
86.00648	5.4
86.09735	1.9
86.99064	5.2
87.02692	5.9
88.02213	1.8
91.96378	0.9
94.06554	1.4
95.08611	3.9
96.08128	1.3
97.01143	1.3
97.06541	2.1
98.09688	13.5
99.05563	1.2
99.08099	3.8
102.05544	3.6
107.04968	3.0
108.08070	1.0
110.09651	3.0
112.03970	2.4
113.04250	6.7
115.05811	1.7
116.01673	21.7
122.09697	1.0
123.04465	0.9
127.05814	1.5
128.07066	2.0
129.06607	2.9
130.04996	6.9
130.06845	4.8
138.05524	0.9
139.05812	1.7
142.03214	2.2
143.02719	1.1
144.01147	8.6
145.06102	1.7
156.08437	20.1
156.10223	13.7
157.06822	8.5
162.02208	19.5
174.09479	12.7
179.04868	8.4
189.03352	1.6
210.11266	2.8
212.07813	1.0
215.04874	1.1
216.06882	5.5
226.08920	0.9
233.05937	2.4
242.08310	1.2
243.06567	1.1
243.10199	2.3
244.06976	1.6
244.10368	5.2
259.11124	100.0
260.11655	2.1
285.12784	1.7
291.06216	0.8
295.54239	0.8
313.12128	3.3
331.13290	6.5
389.13724	0.8
406.16052	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
55.05512	1.9
56.05038	7.1
57.03436	5.8
58.99580	12.6
68.05048	1.5
69.07068	1.0
70.06597	3.2
70.41440	1.2
70.41789	2.5
70.51111	0.8
70.56183	0.8
72.08172	1.6
73.01154	1.6
74.00675	1.1
76.02231	20.4
76.02637	1.6
76.04014	2.4
79.05498	3.4
81.07056	18.5
81.07530	1.1
83.06091	2.3
84.04504	24.1
84.08141	1.0
85.01131	3.7
86.00671	4.2
86.09734	1.3
86.99052	5.9
87.02690	6.8
88.02233	3.3
93.07043	1.1
94.06587	1.8
95.08617	3.5
97.01119	1.2
97.06537	2.2
98.09699	10.8
99.08086	4.4
102.05555	4.2
105.07013	2.1
107.04978	3.7
108.08155	1.0
110.09679	1.8
112.03945	4.4
113.04221	6.3
114.03741	1.0
115.05781	2.4
116.01683	22.5
122.09652	1.4
123.08072	1.5
126.86581	0.9
127.05765	1.6
129.06598	2.6
130.05003	7.7
130.06848	4.9
130.08633	1.8
139.05794	1.7
142.03223	2.3
144.01154	7.0
151.93825	0.9
156.08452	19.3
156.10222	12.6
157.06831	10.4
162.02205	22.2
162.03476	1.7
170.02821	1.1
174.09482	13.6
179.04865	9.9
210.11293	2.5
216.06911	7.0
233.05922	2.2
242.08382	1.2
242.96191	1.0
259.11121	100.0
260.09344	1.3
260.11688	1.2
277.12143	1.2
285.12680	1.4
308.09183	1.2
313.12189	4.1
331.13278	5.2
337.45361	0.9
379.15088	0.9
388.15692	1.8
406.16519	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52707	12.1
67.05508	19.6
69.03440	14.5
69.07062	14.4
70.06597	100.0
71.17619	17.8
79.56404	14.2
81.07054	52.3
83.04971	30.2
84.04561	14.7
84.08144	16.4
85.02917	26.6
91.05479	14.6
93.07057	13.9
97.02934	15.8
97.06551	12.6
105.07072	16.4
107.04967	36.1
107.08588	52.1
108.05325	15.9
109.06522	44.1
112.07616	23.7
121.10159	62.1
133.10133	99.7
137.09619	25.0
173.13303	23.5
181.68649	11.9
191.14314	45.7
209.15440	59.5
217.62608	16.1
226.04907	23.4
244.09572	27.2
288.81778	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44139	1.4
51.02502	1.4
53.03933	1.5
53.08722	1.4
55.01878	2.7
55.05509	10.3
55.22474	1.9
56.05039	7.4
57.03433	3.8
58.99580	8.9
67.05501	1.9
68.03512	1.6
68.79100	1.6
69.03426	2.3
69.07041	2.7
70.06583	5.4
71.00715	2.7
74.06068	1.6
76.02232	16.9
76.03993	2.7
79.05505	2.7
80.05058	2.1
81.07066	13.8
83.04974	5.1
83.06097	2.2
83.08620	7.7
84.04503	22.3
84.08135	2.9
84.50877	1.6
85.01134	3.8
85.02911	3.4
86.00646	2.4
86.09710	2.2
86.99039	4.2
87.02671	4.4
91.05476	1.7
93.07035	5.5
95.04958	2.2
95.08598	3.4
97.06481	2.2
98.09689	14.7
99.08087	5.5
102.05521	3.2
105.07014	2.6
107.05009	7.4
107.05560	1.6
107.08582	5.6
109.10124	3.1
110.09675	1.8
111.08044	2.8
112.03962	3.7
113.04237	7.2
116.01682	19.5
119.08569	2.3
121.10123	4.5
122.09673	1.8
123.04461	1.6
123.08156	1.7
125.09663	1.7
129.06555	3.7
130.05026	8.0
130.06880	4.1
133.10126	2.3
133.90131	1.4
135.14285	1.5
138.05466	1.7
144.01109	6.6
149.13225	1.7
151.11143	8.2
156.08426	18.2
156.10214	10.9
157.06828	6.6
162.02213	12.8
163.14777	2.4
164.50818	1.6
167.14284	13.0
173.13271	6.6
174.09482	11.1
177.55014	1.6
179.04852	4.6
191.14316	4.6
209.15375	51.8
210.11275	1.6
216.06834	3.9
226.08644	2.5
233.05940	2.4
244.09608	1.8
259.11121	100.0
260.11493	2.4
272.47525	1.6
313.12088	4.2
331.13211	6.1
406.16293	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.4
57.03400	12.4
69.07043	8.1
70.06590	100.0
71.01833	17.5
72.08140	12.9
84.08141	18.5
85.02894	11.0
86.09703	10.8
88.10853	7.4
93.07049	9.4
94.32215	7.5
95.04943	9.2
98.57559	7.1
107.04964	78.6
107.08571	13.4
108.05315	19.0
121.02816	8.4
121.10069	8.3
129.10231	14.4
131.08571	9.7
133.10162	47.0
137.09500	10.1
163.14554	6.8
173.13194	14.9
187.10773	12.9
191.14352	13.6
199.13515	7.1
226.12561	8.3
369.81155	8.2
370.66183	8.1
407.07916	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
57.07078	3.5
59.05008	2.7
60.82608	1.3
64.41571	1.3
67.05500	4.4
69.03418	2.9
69.07079	6.4
70.06590	3.8
71.05669	1.2
71.06007	2.8
72.08174	1.9
74.66951	1.1
78.36842	1.6
79.05474	7.9
81.07067	6.9
83.06116	3.3
83.08603	1.8
84.04495	4.5
85.02915	9.8
85.06520	4.6
86.09705	4.9
91.05458	5.7
93.07054	26.2
95.04964	2.1
95.08633	10.4
97.02874	2.9
97.06521	2.3
103.05468	2.2
105.07053	6.8
107.04979	9.2
107.08600	27.7
108.05298	2.1
109.06527	2.1
113.05984	1.6
119.08570	9.1
120.08108	6.0
121.10152	100.0
123.04450	2.3
123.08054	2.8
127.03928	3.4
131.08540	2.0
133.10152	7.5
134.06859	1.6
135.11716	4.7
139.11192	76.2
143.08565	1.7
145.05035	2.7
161.05992	1.7
163.06094	1.7
163.07524	1.9
163.14827	22.5
164.07982	1.8
166.08597	2.5
167.07054	17.0
168.07457	9.9
171.09615	1.3
173.13255	7.7
181.03156	1.5
182.03520	1.5
191.14302	15.9
193.08522	1.4
194.09003	2.5
196.14511	2.8
197.12961	1.5
200.50163	1.6
209.15382	22.6
214.15471	2.5
224.13899	1.7
225.12184	1.3
226.08713	1.6
234.99055	2.0
299.07111	2.7
300.07376	4.5
307.95105	1.3
345.06216	2.7
356.15405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.7
69.21611	100.0
70.06600	64.8
81.07077	16.5
82.49493	12.6
84.04553	11.4
84.08159	18.1
85.06539	13.8
86.09702	39.3
93.07035	24.6
97.06546	15.7
98.20801	23.1
105.07024	22.7
106.09695	11.5
107.04957	54.2
107.08606	28.2
109.06510	14.1
110.07182	14.8
116.07069	26.5
118.54234	11.4
120.08086	33.7
121.10146	39.8
121.47331	11.1
131.08575	26.2
133.09203	12.1
133.10095	58.6
163.14787	18.3
173.13261	60.8
191.14281	85.0
209.15376	17.6
214.97575	12.1
229.04730	14.5
244.06964	25.6
245.08092	49.2
317.09146	11.9
373.33945	12.4
406.21402	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17065	3.4
55.05508	11.4
56.37077	3.3
59.64488	3.3
69.03437	7.4
69.07062	3.9
69.59208	3.4
70.46843	11.0
80.53682	4.5
83.04974	10.8
83.08633	6.5
85.02897	4.9
86.09720	5.5
91.05477	6.1
95.04975	72.6
99.04459	12.0
107.04937	10.3
107.08650	5.0
120.38499	3.6
125.09657	3.9
133.10141	8.7
151.11200	11.1
153.09084	24.0
166.74924	4.0
167.14340	13.8
173.13260	5.9
209.15376	100.0
227.14442	3.9
244.09726	4.1
244.15488	9.1
245.11580	3.6
282.09552	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.0
55.05506	17.1
56.90870	9.5
56.96552	12.1
59.94080	9.2
63.01540	10.4
67.05492	13.9
70.06590	100.0
71.15128	13.3
71.15446	14.5
78.87086	9.9
81.07040	19.3
83.04971	20.2
84.08128	11.4
85.02912	18.6
85.06497	12.8
85.27615	10.2
86.09727	21.2
93.03342	10.2
93.07039	22.7
95.04972	17.4
95.08590	37.6
98.97576	59.3
99.04453	12.5
107.04952	20.2
109.06507	17.2
116.98667	13.3
119.08548	13.0
121.10104	14.4
123.11674	16.6
133.10136	30.4
147.11678	28.2
149.09566	20.9
151.07532	15.2
151.11154	20.6
153.09135	12.3
158.06122	11.0
158.76604	9.7
167.10620	14.6
167.14342	13.3
184.23839	11.8
187.42552	9.6
189.12778	16.0
209.15379	77.5
227.16394	17.1
292.34183	9.2
303.10764	11.8
310.75848	10.0
311.63766	9.1
312.69452	9.9
320.68039	12.3
323.11722	20.5
325.14767	14.6
406.17538	16.6
407.18445	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
67.05497	2.4
69.07058	1.5
69.48857	4.3
70.06579	3.1
79.05494	2.2
81.07092	3.0
84.08157	1.4
91.05481	2.3
93.07045	2.0
95.04963	0.6
95.08617	1.9
102.78664	0.6
105.07027	2.4
107.04945	1.1
107.08606	0.9
109.10172	1.6
114.97336	0.7
119.08591	1.3
121.06521	0.6
121.10133	1.1
121.97118	0.6
123.04437	1.8
131.08560	1.4
145.10080	0.7
157.10120	0.8
159.11668	0.8
161.13248	0.8
167.08461	0.6
169.13661	0.6
171.11702	0.7
183.11778	0.8
185.13329	0.7
193.12225	0.8
241.08708	0.7
256.26416	0.8
257.26575	1.1
278.01669	0.7
295.15323	1.1
300.29169	0.8
301.29266	2.3
309.16724	1.8
329.73618	0.7
345.31952	0.6
407.24045	100.0
407.35477	10.8
408.24176	3.1
408.31458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
70.06577	0.7
71.48572	0.7
79.05507	0.6
81.07053	1.0
83.22842	0.4
93.07042	0.6
95.08611	0.5
107.08579	0.7
109.10154	0.5
119.08572	0.5
301.29092	0.5
337.16495	0.7
407.24081	100.0
408.24301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
67.04935	0.3
67.05499	1.0
69.03420	0.5
69.07085	0.8
69.81681	0.8
69.82069	0.7
71.04987	0.4
79.05495	0.8
79.54473	0.3
81.03433	0.6
81.07053	1.2
91.05486	1.2
93.07047	0.9
95.04956	0.4
95.08601	1.2
105.07042	1.1
107.04955	0.5
107.08575	0.6
109.10153	0.7
117.07037	0.7
119.08621	0.7
121.10142	0.5
131.05000	0.5
131.08595	0.9
133.06715	0.3
133.10144	0.7
134.98190	0.3
138.24440	0.3
145.10036	0.4
147.11708	0.6
157.10051	0.5
173.13174	0.4
192.80177	0.3
197.93039	0.3
200.81973	0.4
227.06287	0.3
277.69568	0.3
279.77048	0.3
293.82248	0.3
319.18820	0.6
321.16760	4.9
407.24069	100.0
408.24173	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.07083	0.9
61.41421	1.0
67.05498	2.2
69.07053	0.8
71.48000	0.9
79.05485	1.4
81.07051	3.5
91.05466	1.9
93.07032	2.2
95.04992	1.5
95.08596	3.7
99.47758	0.9
105.07032	2.3
107.08584	1.9
109.10133	1.5
119.08589	1.6
121.10189	2.0
131.08543	0.9
133.10138	1.4
143.08580	1.3
145.10130	2.2
147.11688	1.0
159.11623	1.0
170.10867	0.9
171.11655	1.0
185.13304	1.0
197.13315	0.8
199.14859	0.9
407.24048	100.0
408.24512	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68211	0.8
55.05511	2.3
56.71777	0.9
57.03436	4.7
57.07077	9.6
57.19400	1.0
67.05514	5.9
69.07072	4.0
71.08629	5.7
71.49249	1.3
79.05482	3.5
81.07056	6.5
83.08617	3.6
85.10194	2.6
88.11182	1.0
89.06028	2.3
91.05457	1.1
93.07053	3.2
95.08601	8.3
97.10191	2.6
98.98453	1.3
105.07066	2.7
107.08591	3.1
109.10171	4.1
111.08172	1.0
113.00020	97.0
117.06968	1.0
119.08585	2.3
121.10129	2.6
121.62336	1.0
123.11713	2.3
131.08569	1.7
133.10132	2.6
135.11736	2.3
145.10101	2.0
147.11734	1.2
148.43182	1.1
155.01039	3.0
157.10172	1.3
169.02615	100.0
171.11699	1.7
185.13123	1.1
258.34482	1.1
407.18359	0.9
407.37640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.05523	29.1
59.32260	5.3
60.31110	6.0
67.05515	62.7
69.07082	27.3
79.05490	60.3
81.07062	72.0
83.04980	7.9
83.08634	11.2
85.06541	7.0
86.21296	5.5
91.05489	78.1
93.07046	46.9
95.04948	13.4
95.08597	45.2
97.06541	6.0
97.10201	6.8
103.05495	6.9
105.07036	77.5
107.08598	29.4
109.06513	9.5
109.10164	17.4
117.07027	30.7
119.08596	53.3
121.06562	11.1
121.10139	21.8
123.08072	9.2
128.06212	8.6
129.07033	16.7
131.08560	56.3
133.06512	5.8
133.10141	24.5
135.08070	7.3
135.11739	6.4
141.07005	10.3
143.08575	21.5
145.10098	28.1
147.08022	5.8
147.11685	6.3
149.05984	5.9
155.08537	11.7
157.10153	10.9
159.11743	16.8
163.06358	8.3
164.06915	8.8
169.10115	9.2
171.11687	12.3
173.13226	10.4
183.11690	10.3
185.13235	9.0
185.51033	5.3
197.13252	10.7
199.14780	8.6
204.53392	5.4
211.14801	8.7
223.14749	7.1
225.16336	5.8
228.88388	6.2
233.15538	9.2
247.16963	5.4
256.95633	6.7
264.03024	5.3
333.15134	15.5
335.23734	11.1
343.26324	12.6
345.20767	5.9
353.24854	27.2
369.67505	6.1
371.25851	46.3
389.26880	100.0
390.27106	8.1
400.73801	5.5
407.25626	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	407.2792
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03927	6.6
55.05516	25.4
56.60747	4.5
65.03944	5.0
67.05505	64.6
69.07069	33.5
70.61790	10.5
71.05002	5.3
71.31077	4.4
79.05492	50.4
81.07062	59.5
83.04994	9.8
83.08617	13.9
85.06538	10.0
91.05482	72.3
91.28830	4.8
93.07050	52.9
95.04955	9.2
95.08619	43.8
97.06531	9.1
97.10180	5.6
105.07025	85.5
107.08602	29.4
109.06544	9.9
109.10167	14.0
111.04446	6.3
115.05488	6.1
117.07021	26.6
119.08588	64.3
121.06504	5.7
121.10150	21.9
123.08080	7.3
128.06140	6.4
129.07010	19.6
131.08560	54.8
133.06505	6.4
133.10130	32.8
135.08139	5.5
135.11687	9.9
141.06973	11.2
143.08553	23.5
145.10135	33.7
147.11681	12.0
149.09619	6.6
155.08577	11.2
157.10100	20.5
159.11748	11.2
161.13261	6.4
163.06287	6.4
165.07127	6.0
169.10101	16.7
171.11748	14.4
173.13293	10.7
183.11674	5.2
185.13234	11.0
187.11156	5.6
195.11749	9.2
197.13281	10.7
211.14905	7.6
213.12836	5.2
247.16803	7.7
273.18668	5.9
325.25153	8.4
333.14999	13.2
335.23843	11.4
340.04575	6.1
343.26328	14.9
353.24710	35.5
371.25757	41.4
380.13916	5.1
389.26892	100.0
407.28067	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
53.63762	2.7
55.05272	3.3
55.05506	19.9
55.93522	8.9
57.07072	16.4
63.42854	3.7
67.05512	29.5
69.07065	24.6
70.95857	4.7
71.05006	20.1
71.08644	11.0
71.49053	4.7
72.93792	12.4
79.05505	29.5
81.07059	61.9
83.08624	13.5
85.06541	5.4
85.10184	7.3
89.06030	22.5
90.94832	4.8
91.05499	32.2
93.07050	54.3
95.05000	8.7
95.08609	74.2
95.09174	5.1
97.10204	5.4
105.07025	59.0
107.08607	42.9
109.06535	11.7
109.10155	35.3
111.08074	13.8
113.09644	4.0
117.07031	10.7
119.08582	60.7
121.10144	37.3
123.08102	4.4
123.11713	11.3
125.09614	6.3
127.05482	3.6
127.11233	3.6
128.06235	4.6
129.07016	12.6
131.08546	31.1
133.08624	10.8
133.10136	33.3
135.08060	5.2
135.11687	18.0
137.05957	3.6
137.09604	5.1
141.06950	4.6
142.07854	4.3
143.08563	22.8
144.99561	3.4
145.10124	53.9
147.11707	29.5
149.13298	17.7
151.11201	4.9
155.08559	13.1
156.09363	5.8
157.10152	29.1
159.11713	45.4
160.12613	4.1
161.13242	24.8
163.14804	7.3
169.10158	14.2
170.10893	3.5
171.11732	23.8
173.13266	30.1
174.84364	3.5
175.14839	10.9
178.97861	4.2
180.90471	4.7
181.10156	5.5
183.11766	19.2
185.13211	17.7
187.14841	20.4
189.16374	10.7
195.11794	9.1
197.13298	15.3
199.14839	16.7
201.16405	21.5
203.18002	5.5
207.11789	3.4
209.13226	5.7
210.86403	4.1
211.14842	9.7
213.16441	23.4
215.17982	17.4
217.19481	3.8
223.14853	4.7
225.16423	9.4
227.05183	3.8
227.18002	9.0
229.19566	8.9
231.17456	4.2
237.16486	7.2
239.17943	24.7
241.19510	8.0
253.19501	6.9
255.21114	8.2
257.22717	12.9
267.21271	3.9
269.22650	7.2
279.08331	3.4
279.21222	4.8
281.22568	4.7
293.22723	5.4
295.24167	4.6
311.23801	11.9
323.27310	11.1
329.12018	4.3
331.13693	8.7
333.15143	84.9
334.15485	4.5
349.28967	8.3
389.32111	9.7
407.19141	5.0
407.24216	13.0
407.33154	100.0
408.33301	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.05271	3.2
55.05510	25.4
55.93529	10.0
57.07079	24.5
67.05497	33.6
69.07060	31.1
70.95875	7.1
71.04989	14.3
71.08629	16.0
71.68108	3.4
72.93768	8.6
79.05492	30.7
81.07059	71.0
83.08618	15.5
85.06546	5.3
85.10168	8.6
88.96889	3.9
89.06031	27.5
90.94830	3.9
91.05472	27.4
93.07050	57.7
95.04958	9.0
95.08004	4.3
95.08606	79.6
97.06567	4.3
97.10161	11.1
99.08081	4.8
103.03336	4.2
105.07033	55.2
107.08604	49.4
109.10160	45.1
111.08087	13.8
111.11714	3.8
113.09614	6.8
117.07017	16.7
119.08572	49.7
121.10136	41.7
123.08069	7.8
123.11715	17.6
125.09676	4.1
127.11161	6.4
128.06178	4.4
129.07002	15.7
131.08562	27.9
133.08618	7.7
133.10153	28.8
133.84274	3.6
135.11687	24.5
137.06039	4.1
137.09578	6.3
137.13295	8.7
141.07047	5.2
142.07822	7.6
143.08519	27.1
145.10120	37.3
147.11674	28.5
149.13229	14.8
150.98506	3.3
155.08553	18.8
156.09317	7.0
157.10132	36.7
159.11685	47.1
159.12903	6.1
161.05969	3.5
161.13194	23.2
163.14848	10.2
168.09421	4.6
169.10097	20.5
171.11690	23.4
173.13251	37.0
175.14841	15.4
180.66872	3.6
181.10124	4.7
183.11732	18.7
185.13290	15.3
187.14848	22.0
189.16328	6.6
193.10146	3.8
195.11719	11.1
196.12448	5.5
197.13223	15.1
199.14882	17.5
201.12729	3.7
201.16373	27.9
203.17934	7.4
208.12711	4.5
209.13292	6.7
211.14839	7.8
213.16356	21.0
215.17964	19.2
223.14848	6.8
225.16397	14.3
227.17935	13.3
229.15962	3.9
229.19591	12.4
235.14705	4.0
237.16412	6.7
239.14845	4.2
239.17941	32.4
241.19653	8.4
246.05544	3.7
251.17889	6.2
253.19409	6.2
255.16843	4.0
255.20995	8.7
257.22638	14.3
265.19391	6.9
267.21078	7.8
269.22726	7.4
270.23276	4.6
279.21033	5.5
280.21490	3.9
281.22577	5.8
297.22162	4.5
311.23679	12.4
315.22885	4.1
323.23651	3.8
323.27274	7.8
324.27844	5.8
329.11960	7.8
331.13638	8.8
333.15103	91.6
333.25647	4.3
334.15439	7.7
349.28979	8.1
351.26895	4.8
389.32187	11.9
407.23993	31.0
407.33237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03947	3.6
55.05519	17.7
57.07075	9.0
58.69453	2.2
65.03951	2.5
67.05511	30.5
69.07076	36.4
69.76854	2.5
71.04986	3.1
71.08625	4.7
71.09362	5.9
75.38839	2.8
79.05496	15.4
81.07063	82.5
83.08637	14.5
85.10194	4.1
89.06046	10.1
91.05481	15.8
92.79385	2.5
93.07055	36.9
95.08615	85.1
96.11768	2.4
97.10188	12.6
102.53682	2.8
105.07032	29.5
107.08598	39.3
107.09311	3.5
109.10162	60.8
117.07035	4.3
119.08588	36.2
121.10149	31.6
123.11700	23.8
129.06943	4.1
131.08563	13.6
133.08643	3.9
133.10129	21.2
135.11707	23.5
137.13283	10.1
141.10266	7.3
143.08611	7.0
145.10138	24.4
147.11702	22.4
149.13206	18.3
151.14890	2.6
157.10185	7.5
158.10942	2.7
159.11711	28.0
161.13281	22.9
163.14818	12.6
169.10159	2.6
171.11784	11.7
173.13235	20.8
175.14818	18.1
177.16431	6.9
183.11760	3.8
185.13339	8.2
187.14806	18.2
189.16451	9.0
191.18042	5.5
199.14894	6.8
201.16367	15.0
203.18022	9.5
211.14835	3.8
213.16374	9.5
215.18034	10.1
217.19655	5.1
225.16454	4.0
227.18066	8.1
229.19640	8.9
231.21228	3.4
241.19543	5.7
243.21199	6.5
255.21103	6.6
257.22726	5.6
269.22653	4.7
271.24277	3.3
283.24319	8.0
295.24380	2.6
297.25906	4.6
311.27335	5.1
323.27481	3.0
325.28934	4.9
334.66379	3.1
337.29086	3.7
351.30649	5.6
359.05978	3.1
365.32108	3.6
407.36868	100.0
408.37405	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	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01861	1.3
56.05036	1.7
57.03426	2.2
58.41885	0.8
60.04503	0.9
61.02949	1.7
65.39714	0.8
68.05029	1.3
69.03439	10.0
70.04710	2.4
70.05106	1.1
70.06599	13.3
71.05005	2.0
72.08144	3.7
73.02920	2.8
74.06066	0.8
76.18005	0.7
81.03416	7.7
83.05000	1.1
84.04497	2.8
84.08150	12.2
85.02443	1.2
85.02914	12.5
85.08495	0.9
86.06086	4.3
86.09729	4.9
87.04484	1.3
91.05460	1.6
93.07052	0.8
94.87171	0.7
97.02883	5.1
97.51933	0.8
98.20835	1.0
99.04444	3.4
103.03934	1.0
107.04964	6.1
109.02860	5.5
110.07147	2.9
112.08689	1.0
115.05463	17.2
116.07068	1.4
120.08131	9.1
121.02882	1.0
122.06027	1.5
127.03924	7.2
129.10231	4.6
129.43890	0.8
130.04964	1.6
130.06554	3.4
130.08722	1.0
132.08083	5.3
136.07562	1.1
140.04973	1.4
140.07065	1.4
142.06531	100.0
143.07333	7.9
144.08101	7.5
145.04967	1.5
155.06096	0.8
155.98418	0.9
158.06052	2.6
159.06805	2.2
160.07593	88.9
167.07100	2.2
172.07544	1.6
173.09229	1.1
182.06329	1.8
187.06035	2.6
188.07146	1.8
193.08510	0.9
202.08524	1.3
211.09738	1.7
228.06789	1.8
228.10239	5.6
229.10713	1.0
246.08025	1.4
246.11240	7.3
322.12912	5.2
346.12793	1.2
364.13901	33.4
364.18430	1.6
408.12820	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	408.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01867	0.5
58.47678	0.4
61.87274	0.4
68.42297	0.4
69.03424	0.8
70.06580	1.4
71.48275	0.6
72.08149	0.6
75.01324	0.4
79.05510	0.7
81.07037	0.6
84.08122	0.8
85.02885	0.8
85.32538	0.4
86.09217	0.5
86.09701	4.6
88.40437	0.4
91.05518	0.8
97.02913	0.5
98.97580	0.6
106.06538	0.6
107.04973	4.7
107.08578	0.8
120.08095	1.0
122.06044	0.7
125.09649	0.9
133.10112	1.2
134.06004	0.4
137.05927	0.4
141.06969	0.8
142.07788	0.9
144.05626	0.5
145.06505	2.1
152.06175	1.0
155.08519	0.8
157.06506	1.4
157.10181	0.5
159.07956	0.5
160.07582	1.0
165.06999	1.8
170.07339	2.2
171.08028	1.0
172.11334	0.6
174.09204	0.6
183.08049	1.7
184.07526	0.6
185.05913	0.6
185.08307	2.3
185.09692	1.4
185.34579	0.5
198.05481	1.6
199.18120	0.9
200.10709	4.8
210.09218	0.7
213.07820	2.6
228.10208	100.0
229.10474	1.9
246.11275	85.3
247.11662	1.4
327.16150	0.4
408.16550	15.7
409.18506	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.9
61.42801	0.6
69.03421	1.3
69.07062	1.0
70.06601	7.3
71.47977	1.5
72.08155	1.2
79.05494	0.8
81.03424	0.9
84.04495	3.7
84.08140	3.2
85.02895	4.9
86.09679	2.6
97.02866	1.3
98.97616	1.0
102.05516	1.4
105.07031	1.3
107.04978	3.7
112.07593	3.6
114.05511	1.0
116.07084	1.8
120.08121	5.4
123.04407	3.6
129.10229	3.0
130.05020	1.2
136.07567	1.2
137.05983	4.2
140.07051	2.5
149.05939	2.0
160.07552	1.2
166.07266	3.2
167.07043	100.0
170.04465	1.4
180.08612	0.9
181.08597	1.5
193.08644	3.1
195.07677	1.8
204.09755	1.5
211.09662	12.0
228.10147	0.9
229.10680	7.0
235.09230	0.8
246.11171	1.7
259.07379	1.3
362.14563	0.8
364.47021	0.8
369.12390	0.8
408.12659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92885	0.3
60.04533	0.4
69.07058	0.4
70.06588	0.9
70.77071	0.9
74.27521	0.3
82.56952	0.3
86.09711	14.4
91.05486	1.1
93.07053	1.0
98.28379	0.3
103.05482	3.8
106.05013	0.5
107.04955	1.1
108.05309	0.4
109.02888	0.3
116.03447	0.5
117.89188	0.3
119.08549	0.5
120.08112	100.0
121.08461	1.0
122.28611	0.4
128.10727	6.7
156.10239	1.4
158.37201	0.4
209.63126	0.3
235.10776	5.2
253.11861	7.5
303.17206	0.5
315.05020	1.5
346.16510	0.6
390.20026	1.2
398.00015	0.4
409.09140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.1
57.11901	4.6
57.85580	5.4
59.52721	5.6
66.81453	5.6
69.07062	10.8
70.06591	19.9
71.48689	9.8
72.08157	11.7
79.05470	6.4
81.07067	5.2
83.08637	5.5
84.04513	6.5
84.06949	5.8
84.81554	5.1
85.02895	8.0
85.06557	10.9
86.09696	28.1
91.05475	9.2
93.07035	8.8
95.08609	7.4
97.06568	9.6
97.81796	4.6
105.03390	9.8
107.04970	30.9
107.08586	12.4
109.06501	7.5
119.08592	8.1
120.08126	12.6
120.71126	4.9
121.06583	7.3
121.10179	6.3
130.06505	7.9
133.10124	13.1
134.06050	5.8
135.11713	7.4
143.11794	10.3
145.08826	6.9
159.99867	5.5
171.11345	6.7
175.14861	24.3
191.26802	6.6
191.67038	5.5
193.15900	21.8
199.09996	6.0
211.13290	13.0
211.16965	27.6
228.10193	100.0
229.08658	10.4
234.13307	8.0
246.11305	18.7
258.11923	6.8
346.16193	7.7
409.18512	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0921
Annotation	8-p-Hydroxybenzylquercetin
Peak:m/z	Relative Intensity
55.01635	0.2
55.01877	2.3
65.03937	0.3
68.99803	0.5
69.44412	0.6
69.44820	0.2
79.01851	0.5
81.03429	0.6
91.05479	0.2
93.03400	0.5
95.04969	0.3
97.02894	0.3
98.21529	0.1
103.05473	0.3
105.03393	0.1
105.07019	0.2
107.01321	2.1
107.04945	0.7
109.02879	0.5
110.03689	0.2
111.04375	0.1
115.05459	0.5
121.02861	1.2
121.08427	0.1
123.00794	0.2
123.04437	0.5
127.03918	0.2
129.07011	0.3
131.04912	1.0
133.02806	0.1
133.06502	0.2
135.04427	0.3
137.02350	17.8
137.03404	1.3
138.02711	0.2
139.03905	0.2
139.05438	0.4
139.25237	0.1
141.01834	0.5
141.06967	0.2
143.04947	0.8
145.06467	0.2
147.04382	0.5
149.02336	1.0
149.05977	0.4
151.03937	0.2
155.04874	0.2
157.06519	0.4
159.04376	0.3
159.07962	0.1
161.02332	0.2
161.05948	1.1
163.03922	2.6
165.01843	8.2
166.02260	0.1
167.04913	0.4
169.06491	0.1
171.04413	1.3
173.05974	0.5
175.03999	0.2
177.01846	0.5
177.05414	0.1
179.03419	0.3
181.01303	0.1
183.02901	1.4
185.05971	1.3
187.03923	1.1
189.01886	0.2
189.05469	6.0
190.05933	0.1
191.03398	0.3
195.04430	0.4
197.06001	0.1
199.03897	1.6
201.05389	0.1
203.07051	0.2
205.04955	0.3
207.02875	0.2
213.05463	2.2
215.03415	0.3
217.04962	3.1
219.02931	0.3
223.03976	0.4
227.03354	1.2
228.26782	0.1
231.06558	0.5
241.04973	1.9
245.04468	6.2
251.03632	0.1
255.02808	0.2
259.06021	1.6
269.04498	1.3
270.05087	0.1
273.03949	0.4
287.05536	1.4
297.03922	0.3
303.05051	0.4
315.04974	100.0
316.05325	2.5
325.59064	0.1
380.98923	0.1
409.09189	81.7
410.09540	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	409.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.2
57.03426	0.1
65.03937	0.3
67.05501	0.4
68.99789	1.1
69.03414	0.3
69.07062	0.6
69.64494	0.8
70.06564	0.4
79.05502	0.7
81.03403	0.5
81.07050	0.7
83.04975	0.3
84.08148	0.1
86.09699	0.2
87.61745	0.1
91.05470	0.4
93.03395	0.5
93.07041	0.6
95.04963	0.7
95.08595	0.5
97.02924	0.2
97.06527	0.6
103.05465	0.1
105.04533	0.1
105.07036	0.8
107.04959	15.4
107.08578	0.4
109.02861	0.6
109.06515	0.3
109.10133	0.4
111.00826	1.1
117.07083	0.2
119.04949	0.1
119.08575	0.6
121.02866	1.6
121.06501	0.2
121.10163	0.3
123.04431	0.5
123.11693	0.2
127.03920	0.3
128.06172	0.2
129.06966	0.1
131.04953	0.3
131.08549	0.3
133.06537	0.2
133.10136	0.4
135.04373	0.2
135.08078	0.2
137.02350	4.4
137.03395	0.2
137.05954	0.4
143.08582	0.2
145.06453	0.5
145.10129	0.5
147.04381	0.2
147.11690	0.2
149.02388	0.7
150.05872	0.1
150.12741	0.2
153.01828	5.9
155.04921	0.4
157.10124	0.2
159.04419	0.2
159.08061	0.2
159.11685	0.3
161.06020	0.9
161.13225	0.2
163.03955	1.1
163.72823	0.1
165.01837	2.8
166.02640	0.4
171.11763	0.2
173.02322	0.2
173.06012	0.9
173.13330	0.2
179.03368	0.4
183.02896	0.9
183.04422	0.5
183.11681	0.2
185.13208	0.2
187.03899	0.6
187.14796	0.2
191.03433	0.3
195.02924	0.3
201.05501	2.9
205.04945	0.2
211.03844	0.2
211.07600	0.4
213.05548	0.3
216.12329	1.0
219.03027	0.2
219.06508	0.4
219.94460	0.1
225.09225	0.2
228.04115	0.3
229.04967	6.4
230.05264	0.2
239.06950	0.2
240.07890	0.4
245.04642	0.2
247.05980	0.7
253.08575	0.3
257.04449	3.7
258.05011	0.2
259.09628	0.4
269.04330	0.2
271.09607	1.1
274.04736	1.1
275.05487	0.4
285.04004	1.6
285.11148	1.0
286.11169	0.2
286.14322	0.2
303.04993	100.0
304.05359	2.7
315.04984	0.6
409.09143	1.4
409.17630	0.2
409.22845	0.2
409.27390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.0
56.05025	2.7
57.03421	1.2
60.04522	1.1
61.36419	0.9
69.03421	2.0
69.07059	2.2
70.06600	8.8
70.37862	1.0
71.48673	1.6
72.08160	19.4
73.88715	0.9
74.06075	1.7
79.05480	1.2
81.07030	1.8
83.04975	1.3
84.04520	5.2
84.08153	7.3
85.02883	3.9
86.09234	1.4
86.09715	18.4
87.05600	1.4
88.03960	0.9
89.36795	0.9
89.99940	0.9
91.05482	2.3
93.07047	1.5
93.83729	0.9
95.04963	1.9
95.08575	1.4
96.08131	1.6
103.16886	0.8
105.07032	1.1
106.06580	0.9
107.04968	20.9
110.07135	1.8
112.08771	1.1
116.01694	2.1
116.07074	1.4
119.04923	1.4
119.33215	0.8
120.08117	17.8
121.06478	1.2
121.08435	2.5
122.06046	1.3
123.04449	0.9
124.07613	5.5
129.10231	4.0
136.07599	6.9
138.09120	1.3
141.10114	1.3
142.08667	1.7
143.11763	1.9
144.08015	1.0
147.04324	1.5
155.03444	1.5
162.02176	3.2
162.09157	1.1
163.02489	1.4
172.07256	1.0
173.04469	1.5
175.10745	1.3
177.10278	4.5
199.08626	3.1
200.13951	1.4
201.12456	1.0
201.43860	0.9
205.09653	3.5
207.11259	3.0
211.08589	5.3
212.09544	1.8
213.10257	3.1
215.08319	0.9
215.11797	1.5
217.09756	1.7
220.09628	1.1
225.06589	1.3
225.10223	4.1
227.08218	0.9
228.10158	3.9
229.10614	11.3
230.11592	2.3
234.16856	1.0
235.10794	2.3
239.08214	6.9
239.11742	3.4
240.08960	3.2
241.09848	5.8
243.07600	2.1
243.11314	7.7
247.09584	1.8
247.11926	1.6
247.14326	1.6
248.12840	14.8
252.08998	1.2
253.09758	6.6
255.11403	1.0
257.09195	3.2
257.12799	2.7
258.10037	1.5
259.10797	3.6
259.14435	1.0
261.11026	1.7
262.11099	3.5
263.11423	1.2
267.07672	2.4
267.11328	5.8
268.08499	4.9
271.10791	27.9
272.11313	1.1
273.12408	2.5
275.10141	1.3
277.11731	4.8
281.09140	1.6
283.17206	1.0
285.08624	3.2
285.12338	3.9
289.12067	2.1
295.10623	4.4
300.10959	2.2
303.09946	1.0
303.13437	1.3
313.11765	8.6
317.11435	1.7
323.10333	6.6
326.08908	1.4
327.13245	1.8
331.12891	2.0
335.12427	3.4
341.11340	17.5
345.14590	3.8
355.12811	3.9
359.12354	3.4
373.13855	16.7
391.15024	24.7
391.19724	2.0
409.16040	100.0
409.22034	4.9
410.16238	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98220	0.2
70.06583	0.4
71.48170	0.3
71.48588	0.3
81.03413	0.2
88.75281	0.2
95.37999	0.2
104.84029	0.2
107.01087	0.5
107.04947	0.6
118.23601	0.2
119.67383	0.2
120.08150	0.2
193.56525	0.2
203.03372	0.2
203.05269	0.5
247.13110	2.9
285.05457	0.2
303.04721	0.2
315.04883	0.6
401.98978	0.2
409.18347	100.0
410.18771	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47958	0.6
54.32005	0.7
55.01871	0.8
55.05512	5.8
56.05028	0.8
60.04527	16.6
63.34295	0.7
69.03414	0.9
69.07084	1.0
70.02941	1.2
70.04450	0.6
70.06577	1.9
71.07430	1.5
72.08158	61.9
72.90974	0.6
73.08500	0.8
81.07047	1.0
84.04459	0.8
84.08162	1.4
85.02944	0.7
86.09708	9.0
87.05588	13.6
87.10026	1.3
94.06535	0.7
96.08127	2.5
96.48259	0.7
98.97581	4.5
103.05445	1.2
105.01801	0.8
105.07027	0.7
107.04949	3.7
108.05305	1.0
109.06526	0.9
110.07115	0.8
114.09170	21.2
116.98573	0.9
119.04935	0.8
120.08109	47.6
120.37347	0.7
124.07529	0.9
127.03912	0.8
129.10266	1.4
131.04919	1.1
136.07611	1.2
141.10191	0.9
142.08723	0.8
149.05998	1.1
158.99673	1.3
159.11295	100.0
166.08644	26.3
177.00636	0.8
177.10252	10.5
187.05048	2.9
187.10785	29.1
197.07158	0.8
199.18066	1.0
200.18402	0.7
201.06616	1.6
203.05988	0.9
205.09628	1.2
211.05069	1.1
211.08653	1.6
215.08153	2.3
218.71132	0.7
223.10785	35.3
225.06682	1.2
229.06136	1.7
239.08192	3.0
241.09663	0.8
243.07684	4.6
244.12863	4.6
245.09319	0.7
246.11305	1.7
247.04944	1.4
247.11566	2.9
257.09229	2.7
261.08728	1.9
267.07678	3.0
269.09131	0.9
271.07251	2.7
285.08694	8.5
286.09052	0.7
289.05597	0.7
289.08310	5.1
295.07257	1.2
297.08655	2.5
298.96448	0.6
303.09875	2.9
304.61514	0.8
307.09366	1.0
313.08197	12.2
315.09677	3.2
322.17542	1.1
331.09225	15.2
332.16092	2.5
333.10901	3.6
341.07574	1.4
349.10352	13.5
350.10156	0.9
359.08646	3.7
367.11334	2.2
377.09680	4.1
391.11276	5.6
391.19492	1.7
409.12299	4.3
409.18454	2.9
427.16367	0.7
428.16269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39108	0.3
55.05509	0.4
56.05030	0.8
69.03427	0.5
70.06593	3.1
71.48176	0.4
72.07886	0.2
72.08168	2.3
74.06075	1.2
79.05479	0.4
81.03386	0.3
83.05006	0.5
83.06090	0.5
84.04519	2.1
84.08165	2.3
85.02912	1.1
86.09712	2.3
88.03980	0.6
91.05473	0.9
93.07056	1.1
96.04455	0.3
97.02869	0.3
98.97582	0.3
102.05550	0.7
103.05466	3.1
104.05342	0.3
107.04983	2.6
108.05325	0.3
108.08163	0.3
109.02905	0.3
110.07167	0.8
114.05534	0.4
115.08709	5.8
116.07111	0.5
117.10432	0.3
119.04899	0.4
120.08112	100.0
121.08471	1.4
122.05997	0.4
127.03932	0.5
129.10242	1.1
130.05006	1.6
131.08536	0.3
136.07590	3.3
141.06566	0.5
142.06551	0.8
143.06882	1.1
143.08171	3.2
152.07111	0.3
159.07697	1.2
160.07532	1.5
161.07930	0.8
161.64824	0.2
164.07091	0.3
165.05386	0.3
166.08658	0.6
175.10855	0.4
187.07188	0.4
191.11833	1.0
201.08810	0.4
207.11272	0.7
213.12320	0.3
219.11333	0.6
223.10796	1.9
229.10451	0.5
229.13240	0.4
235.10724	0.4
245.12823	1.6
246.11363	0.4
247.09508	0.5
247.11798	0.6
247.14413	0.4
249.12402	5.2
267.13416	8.2
267.16138	0.5
268.13760	0.4
288.13739	0.4
290.14960	1.9
303.17255	0.4
315.05051	0.5
320.16040	1.1
348.15927	0.3
354.69366	0.3
365.14407	0.5
373.18768	0.3
387.69223	0.3
391.15302	0.3
391.19702	1.4
409.12900	0.6
409.19669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80659	0.5
60.25185	0.5
67.05508	1.4
69.07066	0.6
73.47147	0.5
79.05496	1.3
81.07056	1.6
84.27747	0.6
91.05483	1.8
93.07051	1.7
95.08614	1.8
97.06511	0.7
98.21561	1.3
105.07019	1.1
107.04961	1.2
107.08575	1.5
109.10170	1.2
119.08569	0.9
121.10128	0.7
123.83035	0.5
131.08591	0.7
133.10135	0.8
135.11703	0.6
145.10130	0.9
173.13196	0.7
199.14812	0.6
205.56502	0.6
221.46381	0.6
225.12213	0.5
242.82117	0.5
252.14436	0.5
297.18439	0.6
409.25638	100.0
410.25928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93383	0.5
67.05489	1.5
69.07056	0.8
71.48110	0.7
79.05489	1.1
81.07057	3.6
83.04950	0.6
85.06493	0.6
89.10725	0.5
91.05463	1.4
93.07019	2.3
95.04927	0.7
95.08591	2.1
97.10082	0.5
105.07030	1.9
107.04918	0.8
107.08598	1.3
109.06496	0.6
109.10155	0.9
117.07034	1.1
119.08570	1.5
121.10129	1.2
131.08549	1.6
133.10168	0.7
135.11702	0.6
143.08563	0.6
145.10094	1.3
147.11703	1.1
157.10066	0.6
159.11731	0.7
203.35550	0.5
275.20236	1.2
285.11234	0.5
295.15192	0.7
309.16718	1.1
320.78195	0.5
409.25623	100.0
410.25848	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09793	0.5
55.05502	0.7
57.45456	0.6
66.15254	0.6
67.05501	1.2
69.07063	1.2
69.71278	0.5
71.47940	0.6
76.62778	0.6
81.07035	2.0
83.23895	0.7
84.98261	0.5
91.05476	1.0
93.07021	1.6
95.08598	1.6
105.07011	1.1
107.08633	1.1
109.10102	0.7
119.08601	1.4
131.08589	1.1
133.10167	0.6
137.05952	0.9
145.10226	0.6
157.06721	0.6
159.11713	0.6
199.11273	1.0
275.20108	1.1
295.15170	1.1
309.16766	1.7
409.25629	100.0
410.26041	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05509	5.5
57.07059	2.4
58.49550	1.2
67.05499	11.6
69.07069	6.0
71.04984	9.7
71.48852	2.0
79.05491	5.7
81.07069	13.1
83.04989	3.0
83.08613	3.1
85.06551	1.6
89.06042	6.3
90.06411	1.3
91.05484	6.2
93.07043	14.8
95.04996	2.4
95.08605	18.5
95.09113	1.9
97.10169	2.4
105.07034	14.3
107.08584	13.1
109.06497	3.2
109.10176	6.3
110.20905	1.4
111.08080	3.8
117.07011	2.6
119.08576	11.5
121.06447	1.6
121.10136	13.4
123.08083	10.2
123.11703	2.9
131.08585	4.3
133.08612	3.3
133.10181	7.1
135.08058	4.4
135.11690	5.2
137.09596	2.5
145.10159	8.1
147.11697	6.9
148.29422	1.5
149.09554	2.0
151.07545	100.0
157.10092	2.4
159.08084	1.9
159.11690	5.5
161.09625	1.6
161.13239	6.0
163.11197	2.1
165.09128	2.4
171.11673	1.6
173.09622	2.2
173.13284	3.3
175.07611	3.3
175.11293	1.5
175.14786	2.8
176.08331	2.5
177.09108	11.2
178.48796	1.3
187.14793	2.4
188.08322	3.0
189.09109	13.4
191.10677	33.0
191.12370	2.3
195.12254	4.7
196.12706	3.2
199.62840	1.5
201.09161	2.9
202.09853	2.1
203.10675	6.5
205.12300	4.6
213.16420	2.1
215.10725	2.6
217.12199	7.7
219.13922	1.3
227.10767	2.2
229.12312	3.2
229.84933	1.4
255.13956	2.7
257.15460	3.3
269.15292	1.4
325.21606	2.1
351.23239	2.6
381.24478	1.6
409.27118	22.5
409.35089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01886	2.2
55.05514	17.6
56.33140	1.7
57.07074	7.0
59.04998	4.0
65.03910	2.4
67.05234	1.6
67.05508	17.9
69.03421	7.3
69.07069	6.6
69.30434	10.0
69.30843	4.5
71.04996	2.6
77.03909	2.1
79.05502	18.8
81.03412	2.4
81.07057	36.2
83.04974	4.0
83.08585	3.7
85.06529	4.0
91.05479	36.9
92.86729	1.8
93.07046	46.5
95.04970	48.1
95.08616	26.9
97.06528	6.2
99.57614	1.7
103.05498	3.4
105.07037	100.0
107.04969	2.7
107.08600	26.6
109.06522	13.7
109.10148	6.8
110.30068	1.8
111.08079	3.8
116.06325	1.8
117.07005	10.5
119.04971	3.0
119.08584	68.2
120.09395	2.9
121.06507	15.5
121.10149	12.9
123.08083	14.1
128.06238	4.0
129.06982	8.8
130.07782	4.8
131.08559	20.4
133.06506	6.1
133.10138	16.9
135.08044	14.8
135.11690	6.9
137.06049	1.8
137.09619	7.7
141.06998	3.7
142.07811	11.9
143.08565	15.7
144.09351	4.0
145.06602	2.0
145.10129	37.7
147.08029	16.0
147.11699	42.6
149.09599	11.7
151.07562	18.0
153.07011	2.0
153.09103	3.6
155.08560	8.3
156.09370	5.2
157.10143	18.0
158.07275	1.9
158.10933	2.1
159.08044	6.0
159.11728	15.6
161.09589	6.4
161.13313	6.3
163.11208	5.0
165.06990	2.2
165.09119	32.5
167.08612	4.0
168.09312	3.6
169.10139	8.7
170.10889	2.9
171.11679	8.0
173.09618	5.4
173.13268	7.4
175.11201	28.8
175.14790	2.0
177.09138	3.8
178.09933	3.6
180.09259	2.1
181.10120	6.3
181.12154	2.0
182.10826	2.0
183.11726	9.9
185.09654	2.6
185.13274	5.8
187.11128	2.5
187.14798	2.6
189.12724	5.0
195.11740	2.7
196.35661	2.0
197.13307	3.6
199.11134	2.3
199.14885	3.1
201.12732	10.3
201.16377	2.2
202.07492	1.9
203.14323	14.0
207.11911	2.1
207.13820	6.4
209.13344	2.6
209.15405	2.7
209.69200	1.7
211.14738	4.1
213.12794	3.0
215.14177	2.3
216.15114	3.4
219.13712	4.3
221.15382	59.0
223.14807	2.0
229.15970	5.5
231.13824	3.9
233.15454	4.4
234.16138	18.4
239.17818	1.7
253.15833	2.0
265.25430	2.0
285.18552	2.3
287.19876	5.9
300.20770	5.2
317.21231	2.5
329.21024	6.2
391.26294	4.5
409.27307	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.05513	23.6
55.32868	3.3
57.07064	11.9
57.48763	3.6
59.04995	5.3
67.05519	26.6
69.03426	7.0
69.07068	12.3
69.30264	18.8
69.30671	12.4
79.05502	25.8
81.07056	47.3
83.04978	5.6
83.08632	5.7
91.05483	53.2
93.07043	54.3
95.04969	52.0
95.08603	45.2
97.06520	12.8
99.71489	4.0
103.05479	3.6
105.07039	100.0
107.04973	5.4
107.08604	39.4
109.06522	17.9
109.10155	23.4
111.08052	3.6
115.05457	6.2
117.07011	14.8
119.08595	82.4
120.23263	4.5
121.06520	22.8
121.10132	33.9
123.08065	25.9
128.06183	6.0
129.07002	10.2
130.07733	6.7
131.08575	28.8
133.06488	8.4
133.10114	26.7
135.08028	8.9
135.11688	9.7
137.09604	12.4
141.06960	7.9
142.07768	16.9
143.08557	30.2
145.10132	44.3
147.08066	26.7
147.11700	38.8
149.09641	10.5
151.07576	24.1
155.08565	7.5
156.09302	9.3
157.10146	27.7
159.08073	6.5
159.11723	21.1
161.09608	10.3
161.13255	9.4
165.09134	36.9
167.08566	4.4
168.09401	4.8
169.10149	14.0
171.11678	12.0
173.09657	8.5
173.13206	7.2
175.11191	21.4
177.08998	4.6
181.10165	8.7
181.12206	4.0
183.11708	16.3
185.09717	4.9
185.13210	8.6
187.11194	5.0
187.14749	5.6
189.12808	5.3
193.10054	4.5
195.11627	4.6
197.13239	6.4
199.14673	5.2
201.12698	10.0
201.16383	6.4
203.14316	17.0
207.11877	4.3
207.13789	9.6
209.13313	9.1
209.15205	4.9
211.14774	9.0
215.14221	5.3
221.13339	3.0
221.15367	69.8
229.15887	7.2
234.16193	11.3
235.14644	4.3
249.16415	5.5
286.19220	4.5
287.19962	8.7
300.20737	5.1
329.20917	5.5
409.27216	55.8
409.31772	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
55.05514	25.2
57.07063	6.8
59.04977	2.3
65.03956	2.1
67.05505	18.3
69.07070	25.8
69.92525	8.9
69.92894	3.6
71.04987	3.2
71.08617	2.7
74.67369	1.8
79.05487	11.0
81.07061	24.7
83.04990	2.0
83.08630	11.7
85.06543	2.7
91.05456	7.0
93.07037	15.2
95.08607	24.9
97.06540	2.7
97.10165	9.1
98.20810	1.9
105.07011	9.2
107.04967	5.0
107.08581	9.8
109.10165	12.2
111.11736	2.2
115.05473	2.7
117.07025	2.8
119.08575	7.1
120.08099	2.7
121.10143	7.7
123.11704	3.7
125.09551	2.4
128.06250	5.2
129.07027	18.8
131.04936	100.0
131.08568	4.9
132.05338	1.8
133.10123	5.8
135.11685	7.3
135.31808	2.0
136.43098	1.7
139.11179	2.1
141.06990	36.6
142.07777	2.6
143.08542	9.0
145.06485	16.2
145.10139	4.6
147.11722	3.5
153.06982	2.0
154.07776	4.5
155.04919	5.7
155.08565	25.2
157.06494	71.7
157.10143	8.1
159.08022	3.4
159.11653	2.5
161.13310	3.5
163.14766	2.3
165.07091	3.3
167.08659	4.0
168.05734	6.8
169.06502	99.5
169.10147	8.2
170.07068	4.4
171.08064	22.7
173.13280	2.8
181.06488	38.1
181.10097	2.3
182.07254	7.0
183.08063	65.1
183.11633	5.5
185.09608	31.2
187.11208	2.6
193.10010	2.5
195.08046	8.0
195.11754	2.7
196.08905	2.6
197.09625	39.1
199.11208	9.1
207.08043	3.3
209.09656	7.5
211.11192	37.9
213.12773	4.0
217.19351	2.9
221.09651	2.6
223.11243	3.1
225.12756	36.9
227.14413	2.1
235.20416	2.0
237.12769	3.0
239.14323	15.9
253.15901	9.1
267.17487	6.2
299.16446	3.7
311.16565	2.8
321.18469	5.0
325.18008	7.8
327.19968	2.0
335.19977	2.9
339.19644	6.7
353.21173	4.4
373.25076	2.8
391.26331	24.9
391.31192	2.2
409.27356	98.8
409.32224	4.0
410.27585	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03946	6.1
54.64544	2.1
55.05512	20.1
57.03434	2.2
57.07065	6.7
63.73893	2.2
67.05506	28.6
69.03429	8.9
69.07071	13.7
70.18859	9.4
70.19209	2.7
71.04972	3.0
79.05495	20.9
81.07055	43.0
83.04971	4.1
83.08615	6.7
85.06549	4.1
91.05476	38.8
93.07049	49.8
93.07623	2.5
95.04974	45.0
95.08610	37.8
97.06533	6.2
97.10160	3.5
103.05466	4.2
105.07037	100.0
107.04970	6.8
107.08598	27.8
109.06520	11.7
109.10161	11.7
111.08101	2.5
115.05463	4.9
117.07016	14.4
119.08582	57.6
119.09378	4.4
121.06532	19.1
121.10140	17.7
123.08068	15.2
123.11732	4.0
125.09657	4.3
128.06190	5.4
129.07022	10.9
130.07793	4.0
131.04919	14.0
131.08591	24.7
133.06487	5.6
133.10136	19.7
135.08070	13.8
135.11691	5.6
137.09637	6.0
141.07033	7.3
142.07813	13.4
143.08521	14.8
144.09296	2.6
145.06538	3.7
145.10136	33.7
147.08044	16.3
147.11665	24.3
149.09633	8.7
151.07553	17.2
153.07045	2.8
154.07814	3.2
155.08534	10.4
156.09299	6.4
157.06496	9.8
157.10123	21.8
159.08040	5.7
159.11693	14.7
161.09592	6.3
161.13246	6.6
163.11200	4.5
165.06972	2.7
165.09109	27.5
167.08554	6.1
168.09352	3.6
169.06500	8.7
169.10126	13.4
170.10886	3.2
171.08020	8.0
171.11699	11.3
173.09744	5.5
173.13293	7.8
175.11169	19.1
175.14723	4.0
177.09058	5.6
181.10129	8.2
181.12201	3.1
183.08070	9.8
183.11722	11.0
185.09627	4.5
185.13272	6.4
187.11217	7.9
187.14848	4.6
189.12828	3.9
191.14360	3.2
195.08028	3.9
195.11702	4.4
196.12479	3.1
197.09657	5.2
197.13251	5.4
199.11179	3.0
201.12752	9.0
201.16345	3.6
203.14310	13.1
207.11777	3.3
207.13782	6.7
209.13315	3.4
209.15321	2.8
211.11119	6.1
211.14818	7.8
213.12814	3.1
221.13214	2.5
221.15352	62.3
223.14761	3.3
225.12717	2.8
225.16185	3.3
234.16190	9.5
239.14346	3.6
240.63005	2.5
253.15834	4.0
270.03427	2.5
286.19235	2.9
287.20169	11.8
300.20847	6.0
329.20932	5.2
343.59659	2.7
375.30716	2.5
391.26361	12.8
409.13269	6.8
409.27258	45.8
410.13733	2.6
426.17670	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01871	2.6
55.05512	19.5
57.07076	7.4
59.05016	2.1
67.05508	22.2
69.03436	6.3
69.07066	9.1
71.22748	3.9
79.05501	21.0
81.07060	34.4
83.05002	5.6
83.08623	3.4
85.06553	3.0
87.44711	1.9
91.05480	40.0
93.07046	42.4
95.04976	52.4
95.08623	26.5
96.08985	2.1
97.06552	6.0
103.05504	2.8
104.06259	2.2
105.07034	100.0
107.08581	27.4
109.06496	10.4
109.10159	9.7
115.05471	4.2
117.07046	14.0
119.08593	64.3
121.06532	13.5
121.10155	16.8
123.08068	16.3
123.11709	4.5
128.06245	4.8
129.06958	12.1
131.08569	24.0
133.06491	3.0
133.10143	21.2
134.26926	2.0
135.08069	15.5
135.11734	5.8
137.09642	9.0
141.06998	3.9
142.07780	11.9
143.08580	12.7
144.09340	3.7
145.06401	3.2
145.10136	34.3
147.08076	20.4
147.11688	48.0
149.09616	13.8
151.07538	18.5
155.08542	10.1
156.09311	4.3
157.10150	21.5
159.08057	5.2
159.11693	15.2
160.08916	2.3
161.09627	7.2
161.13315	5.0
163.11221	6.6
165.07019	2.8
165.09114	35.8
167.08546	3.0
168.09364	2.8
169.10193	11.7
171.11702	11.8
173.09686	6.3
173.13327	6.3
175.11200	30.3
175.14914	2.8
177.09126	4.3
178.09802	2.4
181.10143	6.3
182.10895	2.7
183.11688	9.6
185.09669	4.8
185.13293	4.5
187.11229	4.3
189.12799	5.5
191.10722	2.3
191.14409	2.2
195.11789	3.4
196.12569	3.4
197.09665	2.3
197.13309	3.7
199.14977	2.5
201.12695	9.8
201.16507	4.8
203.14304	14.4
207.11807	2.7
207.13821	10.6
209.13242	4.9
209.15428	2.6
210.18602	2.2
211.14868	5.1
213.12787	2.7
215.14417	2.9
219.13823	5.8
221.15378	60.1
227.14424	3.1
229.15918	6.3
231.13828	5.2
233.15366	4.1
234.16170	16.0
267.17596	3.2
286.19208	3.5
287.20062	5.9
300.21246	2.7
329.21133	5.8
391.26276	5.2
409.27338	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
57.07080	100.0
66.06837	5.5
67.05507	23.1
69.07064	25.7
71.08633	84.9
71.49263	8.1
79.05508	16.4
81.07058	46.7
83.08627	16.7
85.10194	46.6
86.09699	13.5
87.10167	5.4
91.05476	18.1
93.07059	29.9
95.08618	53.2
95.61208	4.9
98.29788	6.1
99.11726	9.3
99.77133	5.1
105.07037	19.8
107.08612	34.0
109.10139	32.1
117.07003	7.4
119.08627	32.8
121.06495	7.3
121.10148	22.9
123.11752	10.3
131.08609	10.8
133.10153	13.1
135.08000	11.4
135.11732	8.6
137.05940	6.8
137.13229	10.6
143.08606	8.7
145.10110	10.9
147.08051	7.4
147.11734	10.7
149.05965	7.1
149.13222	10.5
151.07565	49.9
159.11725	15.5
163.07513	16.3
165.09096	38.6
173.13274	7.5
177.09102	34.5
179.10628	10.3
181.08508	5.9
185.13107	6.6
187.14854	7.8
191.10629	20.7
195.10187	6.4
195.12228	7.5
205.12209	12.0
268.50522	7.0
271.24014	6.9
349.75351	6.2
409.34525	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.9
57.08418	5.1
67.05511	42.6
67.60711	6.1
69.07065	32.5
70.88837	14.5
71.04982	17.7
79.05500	22.6
81.07064	100.0
83.08617	18.9
88.19028	5.5
91.05473	17.5
93.07048	63.8
95.08620	92.6
97.10168	10.1
105.07058	43.7
107.08594	52.3
109.10173	58.1
109.28642	6.1
111.08115	12.8
113.09566	5.3
119.08617	42.7
121.10154	48.5
122.31712	6.3
123.11720	28.7
131.08545	15.6
133.10147	38.5
135.11688	36.9
137.13289	13.5
145.10147	30.9
147.11742	39.8
149.13269	46.7
157.10103	13.4
159.11685	27.3
161.13266	26.9
163.14851	16.9
171.11699	11.3
173.13260	20.1
175.14803	21.3
177.16437	13.6
185.13196	9.4
187.14777	16.4
189.16325	19.9
189.19527	6.5
196.75549	7.2
201.16353	14.4
203.17978	7.0
213.16396	13.3
215.17934	14.7
217.19501	23.8
217.26448	6.5
227.17932	6.6
229.19589	11.9
243.69275	6.8
255.21085	6.8
299.26453	6.2
351.30252	7.0
391.33209	9.3
409.34390	71.0
426.99945	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.4
67.05499	37.3
69.07060	23.9
69.48892	5.5
70.74135	14.5
71.05013	27.6
71.13570	5.4
78.12530	5.2
79.05511	28.4
80.20950	5.4
81.07057	82.2
83.08620	13.1
91.05479	21.4
93.07047	72.1
95.08614	100.0
97.10169	12.5
102.21641	6.2
105.07026	41.4
107.08603	72.6
109.10172	55.5
111.08091	22.2
113.09659	6.1
116.67149	5.6
117.06976	7.8
119.08574	56.5
121.10149	65.9
123.11703	22.6
131.08585	13.4
133.10124	33.4
135.11717	34.5
137.13280	9.0
145.10150	29.8
147.11711	33.6
149.13286	52.1
157.10161	11.4
158.65092	5.6
159.11700	47.2
161.13225	32.0
163.14803	18.9
171.11722	5.8
173.13280	19.6
175.14828	26.1
185.13150	7.5
187.14861	21.5
189.16397	22.6
191.17921	12.1
199.14787	11.5
201.16371	19.5
203.18036	13.6
213.16373	9.2
215.18021	10.6
217.19598	23.4
227.17883	8.2
229.19540	8.6
231.21115	7.2
241.19418	7.8
255.21146	12.5
257.22699	11.7
259.24319	6.4
269.22665	7.1
351.30453	7.2
356.55728	5.7
391.33646	17.1
409.34720	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.05510	22.6
55.91247	3.3
57.07070	4.4
65.03934	3.7
67.05503	35.9
69.07071	44.6
69.83814	12.3
69.84228	7.4
71.04992	9.5
71.08622	10.9
73.33913	3.7
79.05504	29.8
81.07069	65.6
83.08623	29.4
91.05492	32.4
93.07049	50.8
94.51681	3.5
95.04984	5.6
95.08615	75.6
97.06506	4.1
97.10181	7.5
99.08087	9.3
105.07029	55.0
107.04960	19.2
107.08599	47.7
109.10158	48.4
111.11739	10.5
117.07011	14.1
119.08594	40.6
120.08123	3.6
121.10140	28.9
121.98151	3.8
123.11745	13.2
125.09585	5.9
127.11118	8.4
128.06197	4.3
129.06985	9.9
131.08585	29.5
133.10170	38.6
135.11694	36.7
137.13295	18.6
143.08562	20.4
145.10107	46.5
147.11699	41.1
149.13240	13.4
151.11201	5.2
151.14815	6.1
153.12762	13.7
155.14317	100.0
157.10106	21.1
159.11705	50.1
161.13255	41.6
163.11194	4.3
163.14841	9.6
171.11719	13.1
172.12338	5.1
173.13235	23.3
175.14861	19.1
177.16417	4.8
183.11670	9.1
185.13245	21.7
187.14845	10.0
189.16498	5.8
197.09990	6.1
197.13278	10.7
199.11293	3.9
199.14931	17.4
201.16339	9.4
203.18022	9.1
208.03957	4.3
211.14871	9.5
213.16389	52.0
213.18375	4.8
215.17946	18.1
225.16429	5.7
227.18018	10.9
239.17941	21.5
241.19388	8.6
251.18063	5.9
253.19504	11.9
254.20363	16.1
255.21092	22.2
257.22708	8.9
281.22757	8.2
283.24161	3.8
293.22620	3.9
309.25937	10.9
391.33652	14.9
409.30942	53.0
409.34796	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03940	3.3
55.05516	15.0
57.07061	7.5
67.05502	29.6
69.06793	2.2
69.07072	25.0
69.43221	4.8
69.43631	17.4
71.08642	4.4
76.73999	2.4
79.05479	16.0
81.06596	4.5
81.07058	85.1
83.08628	13.9
91.05487	11.4
93.07039	33.5
95.08609	84.3
97.10172	9.2
105.07037	31.4
105.57629	2.4
107.08595	50.1
109.10161	63.5
109.10854	5.1
111.11705	6.3
117.70045	2.3
119.08590	27.5
121.10144	39.8
123.11697	32.4
131.08559	9.6
133.10133	19.2
135.11720	25.8
137.13286	15.0
145.10107	11.7
147.11702	22.5
149.13268	30.0
151.07542	4.1
153.03276	2.6
157.10184	4.7
159.11717	15.2
161.13258	20.4
163.14857	19.0
171.11731	3.2
173.13283	10.9
175.14807	14.6
177.16394	9.5
187.14861	6.0
188.93291	2.7
189.16425	12.5
191.17941	8.9
199.14833	4.4
201.16379	5.9
203.17964	14.5
215.17972	5.8
217.19536	8.9
229.19554	7.4
231.21042	4.9
243.21194	3.8
245.22787	4.6
257.22754	3.0
259.24377	4.2
271.24289	4.5
285.25781	6.3
299.27487	3.6
313.28867	3.2
339.30814	3.8
409.38376	100.0
410.38577	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	410.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50102	1.1
60.04517	4.2
61.32990	1.0
61.33337	1.2
63.81865	1.2
66.94705	1.1
67.05489	2.5
69.07072	1.4
71.03790	2.5
75.49493	0.9
81.07047	3.1
81.19129	1.1
82.06567	1.6
83.08605	1.6
89.62671	1.1
91.05448	2.3
93.07024	2.2
94.06565	1.4
95.08617	3.1
105.07059	1.5
107.04966	9.2
107.08607	2.6
108.05264	1.9
109.10122	1.5
133.10109	1.4
138.09134	3.1
186.05261	17.6
216.00621	100.0
217.01175	3.8
227.07948	1.3
229.01384	1.6
255.20766	1.4
257.03217	2.6
302.30457	1.4
303.30896	4.2
304.28540	2.3
378.06113	1.3
379.06943	6.5
380.07516	2.2
409.35071	1.3
410.08820	2.5
410.19870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
53.03947	1.1
55.01866	0.8
55.05511	1.5
56.05038	0.7
57.03433	1.3
61.02925	1.0
69.03422	3.6
69.23090	0.6
69.83389	2.9
70.06606	4.1
71.05017	1.0
72.08157	1.8
73.02911	0.8
74.06089	1.4
79.05489	1.6
80.45535	0.6
81.03402	1.5
81.50478	0.7
83.08603	0.6
84.04509	1.5
84.08146	1.7
85.02910	9.5
86.09708	6.9
87.00850	0.9
87.04502	1.4
91.05485	1.7
93.07047	0.8
95.04982	1.0
96.08130	1.7
97.02883	4.0
98.20841	0.9
99.04475	1.3
105.01871	0.9
107.04958	100.0
109.02847	0.9
110.07172	0.7
119.04969	1.0
120.08082	1.8
123.06815	1.5
124.07596	24.8
127.03930	2.0
129.10260	1.4
136.07568	2.9
141.07816	1.1
142.08636	12.4
145.05011	1.2
145.09720	1.1
149.05977	1.3
173.09235	1.6
183.11351	0.9
201.12291	4.2
213.11234	1.0
220.13281	1.5
228.10466	0.7
230.11797	17.3
233.63908	0.8
248.12830	98.7
249.13185	2.0
271.14139	0.8
297.11447	0.8
410.17267	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	410.2076
Annotation	Pro Phe Phe
Peak:m/z	Relative Intensity
68.05053	0.7
69.30531	0.7
69.30939	3.2
70.06597	100.0
71.06920	0.6
85.02919	0.5
86.09731	0.9
91.05520	0.5
103.05511	1.1
104.05318	0.5
107.05026	0.6
120.08113	33.7
120.84169	0.5
121.08463	0.6
166.08693	1.8
172.11646	0.6
178.89325	0.5
217.13385	27.1
245.12886	14.1
263.13977	0.5
264.99274	0.4
313.15512	7.4
410.16187	1.0
410.21237	2.7
411.20026	8.5
423.38077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.6
57.06801	2.3
57.07076	38.2
67.05499	3.2
69.07063	2.7
70.93699	1.5
71.08633	24.6
73.06551	4.2
77.31432	1.3
79.05489	2.9
81.07050	5.9
83.08633	2.8
85.10187	19.6
89.06033	100.0
91.05483	4.1
92.05775	1.9
93.07031	5.7
95.04957	5.6
95.08590	4.2
96.08939	1.9
97.06480	2.1
97.10179	3.2
99.11740	2.0
105.07043	9.9
106.07349	3.3
107.07087	2.0
107.08575	3.1
109.06519	1.6
119.08574	5.8
120.08909	4.1
121.06554	1.5
121.10143	2.0
123.08073	2.8
130.08643	2.0
131.08621	1.8
133.08612	43.1
133.10103	2.1
133.15834	1.4
145.10130	4.0
147.11707	3.3
148.11983	1.7
149.09595	1.6
151.09651	3.7
155.17975	3.0
156.54010	1.3
164.53969	1.4
165.09096	3.0
175.11221	1.8
177.11208	8.0
195.12239	2.6
199.20575	2.8
204.14587	1.5
213.12621	1.5
221.15431	2.6
222.15749	2.9
227.14105	1.4
236.74817	1.3
239.14897	25.6
243.23146	5.3
246.19949	1.8
263.00058	1.3
304.78430	1.5
342.48642	1.4
350.98001	1.3
363.46259	1.4
366.09189	1.6
393.32153	19.8
410.27576	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	411.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88448	6.6
56.96568	30.8
69.88803	7.3
70.06589	7.2
71.47762	12.4
78.85628	7.7
79.85094	7.2
84.96036	26.4
96.80480	6.5
98.97585	65.7
101.00889	9.5
107.04973	53.7
110.97529	14.2
116.98633	22.2
119.01965	8.2
124.99165	38.5
126.97150	8.0
142.97455	9.1
142.99229	6.8
143.00142	36.9
144.98044	9.4
145.00560	9.5
145.01619	15.5
161.01233	21.3
186.99260	13.1
205.00255	26.1
223.01207	12.5
233.03287	9.6
248.99251	15.9
267.00430	13.1
291.00299	48.9
291.03159	7.1
305.02762	15.2
309.01273	10.8
367.07693	17.6
399.11707	7.0
411.09183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.09
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88500	1.9
56.96564	8.0
57.03433	3.3
61.02951	2.0
61.58558	2.1
68.01944	2.3
69.03435	2.6
70.15338	7.8
84.96030	2.7
85.02914	6.9
97.02895	2.9
98.97610	18.3
100.99197	3.0
103.00653	2.6
107.05009	2.3
110.97572	5.2
115.00704	1.9
116.98631	5.5
119.01968	2.9
121.01730	3.4
124.99151	7.1
128.98615	6.8
133.01659	3.7
133.03522	6.0
135.03236	2.4
143.00128	10.6
144.98077	3.3
145.01701	7.7
157.01726	3.4
158.99628	2.5
161.01286	6.1
161.03014	4.1
163.02800	5.9
170.99736	3.6
173.01311	3.8
173.03012	2.9
175.02710	3.4
185.01268	2.5
187.02620	2.6
203.02365	2.5
205.00224	3.6
219.01762	6.7
223.01321	4.5
225.60895	2.1
233.03630	3.3
237.02898	2.9
239.53352	6.8
240.03148	2.9
248.54057	3.7
248.99416	2.6
249.04082	2.3
277.02051	2.2
277.07895	3.5
291.00357	12.7
291.04004	8.3
295.08810	3.4
303.03879	4.3
305.02103	2.3
307.08679	2.5
309.01587	3.2
309.04971	5.7
321.05215	4.6
411.09158	100.0
434.75766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96360	1.2
69.67561	6.6
78.46491	1.2
81.39969	1.1
116.53455	1.1
248.82532	1.1
269.52994	1.1
277.14301	1.2
349.49506	1.2
411.09018	100.0
412.09366	2.8
434.24142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03940	0.5
67.05485	0.7
69.03416	0.9
69.76807	2.9
70.06579	2.1
72.08141	1.2
79.05479	0.8
81.03427	0.7
84.08094	0.7
85.02911	1.0
85.06535	0.8
86.09704	1.8
91.05495	2.3
93.07047	0.7
103.05472	3.3
107.04952	4.2
110.07211	0.9
119.04949	1.2
120.08134	1.3
121.10226	0.5
123.04458	1.2
124.04724	1.0
124.07610	0.5
125.55788	0.6
127.03930	0.7
127.11154	0.9
131.04926	4.3
135.11736	0.5
136.07516	0.9
137.06033	0.6
145.10127	0.7
159.04428	7.1
163.03816	0.6
175.07707	0.6
176.52562	0.5
177.05515	2.3
203.05290	2.1
219.10114	2.9
231.17555	0.6
237.05478	0.6
248.12904	0.7
249.13113	1.1
253.08580	2.7
265.08511	1.3
369.11169	0.6
380.00525	0.5
383.13095	0.7
393.18954	1.0
411.19891	100.0
412.20432	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.84416	0.4
62.92073	0.5
69.86810	2.8
70.06594	0.6
97.89241	0.5
107.04974	0.7
121.28648	0.5
167.94424	0.5
309.58209	0.4
411.19937	100.0
412.20163	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	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92632	0.4
67.05499	0.8
69.03448	0.4
69.07056	0.6
69.59805	2.4
70.06577	1.1
72.08148	1.0
73.08489	0.4
81.07077	0.4
84.08148	0.5
85.02902	0.8
85.06084	0.3
85.06522	1.9
86.09693	0.7
87.31409	0.4
88.72047	0.4
89.44724	0.3
95.04946	0.6
97.06508	0.5
98.21497	0.7
106.17239	0.4
107.04965	1.4
107.08557	0.5
120.08123	0.8
121.10159	0.5
127.03934	0.5
136.07576	5.6
147.09184	0.6
159.11227	0.9
164.07091	1.7
202.81711	0.4
203.05286	2.7
222.67661	0.4
231.13770	0.8
253.17986	0.5
256.15756	0.9
287.17560	2.5
300.88568	0.4
306.52225	0.4
325.13940	0.6
347.13586	0.9
365.14719	0.5
367.17236	0.9
372.53207	0.4
411.19925	100.0
412.20450	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	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37489	0.6
53.03942	0.7
62.42565	0.5
63.40144	0.5
69.03410	0.5
69.07068	0.7
69.57629	3.0
70.06588	2.1
72.08150	0.6
79.05445	0.7
84.08110	0.8
85.02843	0.8
85.06523	0.6
86.09705	1.5
91.05492	2.0
94.49240	0.5
95.04964	0.8
95.08619	0.6
97.02879	0.7
97.06493	0.6
103.05481	2.6
107.04955	4.3
119.04929	1.1
120.08119	0.9
121.06512	0.8
123.04439	1.1
127.03969	0.8
129.10226	0.6
131.04951	3.5
133.10161	0.7
136.07552	0.9
137.05991	0.9
147.04457	0.8
156.53619	0.5
158.35158	0.5
159.04431	6.0
164.07086	0.6
175.04089	0.5
177.05455	1.7
203.05315	2.1
219.10240	1.7
247.07671	0.6
249.13165	1.2
253.08630	2.0
265.08667	1.1
317.08234	0.9
353.66431	0.5
369.11029	0.9
393.18661	1.0
411.19916	100.0
412.20273	3.1
429.13354	0.8
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
53.03931	2.6
55.05515	19.2
57.07071	9.3
60.69907	2.1
67.05506	20.4
69.07073	28.5
71.08607	2.9
79.05499	16.4
81.07056	44.6
83.08624	17.8
91.05472	19.0
93.07047	30.6
95.08611	70.6
97.10162	12.9
105.07037	33.9
107.08592	47.1
109.10166	52.1
111.11745	5.4
117.07024	3.7
119.08591	39.3
121.10142	39.5
123.11715	32.3
129.07050	3.7
131.08546	13.2
133.10136	28.1
135.11693	23.7
137.13245	12.4
139.88623	2.5
143.08578	8.9
145.10159	18.5
145.57048	2.3
147.11690	32.4
149.13275	24.4
151.14825	6.8
157.10147	7.7
159.11700	17.4
161.13239	27.3
163.14824	15.4
165.12718	4.2
169.10150	5.5
171.11716	7.9
173.13268	14.7
175.14864	14.9
177.16415	8.8
185.13274	5.6
187.14844	15.7
189.16383	17.8
189.65266	2.5
191.14355	3.4
191.17989	8.2
199.14911	2.7
201.16423	11.3
203.14529	2.4
203.17986	10.1
205.19588	8.3
213.16510	4.6
215.18025	4.8
217.19560	11.8
219.17485	4.4
219.21094	3.5
225.16261	2.8
227.18015	6.8
229.19531	6.5
231.17639	2.9
231.21118	10.2
239.18069	2.6
241.19633	7.0
243.21140	4.9
245.19063	3.6
245.22635	6.9
247.20509	3.2
255.21037	5.4
257.22568	6.8
259.20615	5.5
269.22644	4.4
271.24268	5.5
271.95499	2.5
273.22180	2.6
285.25760	4.4
297.25552	3.8
313.25327	3.8
313.76111	2.9
315.26947	2.6
337.29135	2.6
393.35193	39.0
411.36316	100.0
412.36755	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	412.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.2
57.05811	0.9
67.05492	0.7
68.22128	0.6
69.03435	0.9
69.07092	1.2
69.99399	0.6
70.06578	1.6
71.04998	0.7
71.48708	0.9
72.08157	47.0
79.05485	1.3
85.02907	1.6
91.05473	1.1
93.07065	0.7
94.44313	0.6
95.19224	0.5
96.37251	0.5
97.06534	10.4
103.05476	2.5
105.41900	0.5
107.05004	1.0
109.06488	0.7
120.08111	100.0
121.08430	0.8
123.04433	5.1
123.84196	0.5
127.03922	0.7
145.06778	0.6
166.08667	3.6
219.10220	15.1
219.14937	34.7
220.15413	0.7
241.08144	0.7
247.14438	8.0
271.09708	1.1
313.15479	6.9
412.20386	14.4
413.21100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
57.03402	0.4
57.07068	0.8
69.03436	0.9
69.07077	0.7
70.06583	3.0
71.48525	0.7
72.08166	0.9
73.80586	0.4
79.05522	0.5
81.07059	0.8
83.01321	0.5
84.08142	1.0
85.02901	1.4
85.06554	1.5
86.09702	2.8
87.05619	0.5
90.40562	0.5
92.58222	0.5
92.61284	0.5
93.07052	0.8
95.04930	0.5
97.02888	0.8
97.06540	2.1
107.04983	1.4
107.08594	0.7
110.07184	0.5
115.04022	0.5
118.87357	0.5
120.08124	2.0
127.03928	0.7
127.13857	0.5
129.01833	1.0
129.10231	1.0
131.04938	0.5
133.10094	0.7
136.07610	0.7
143.03404	0.5
145.08592	0.8
163.11229	0.6
164.07066	0.8
189.04048	0.6
197.49818	0.4
215.14330	0.6
219.10239	0.5
233.15170	0.7
251.12543	17.1
251.16475	0.8
255.02750	0.7
281.06055	0.9
284.83902	0.4
361.11441	1.5
369.15390	0.6
395.12839	1.2
413.21619	100.0
414.21954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	16.9
55.01870	7.2
55.05513	14.6
57.03196	2.5
57.03438	27.6
58.45053	2.3
62.43785	2.3
65.03942	3.7
67.05505	59.4
69.03432	50.7
69.07067	17.3
70.72800	5.2
70.94827	2.7
71.04989	14.5
73.02928	4.7
77.25776	2.5
79.05491	39.0
81.02942	3.1
81.03419	61.9
81.06602	4.0
81.07056	77.6
83.04990	24.8
83.08615	16.4
85.02906	30.7
85.06543	4.7
91.05482	35.9
93.07044	53.2
95.04971	13.4
95.08609	32.2
97.02895	34.9
97.06544	13.0
97.10191	2.5
99.04465	12.9
99.08071	6.3
101.02405	2.7
103.03931	6.2
103.05509	3.5
105.07027	22.0
107.04955	12.3
107.08590	30.0
109.02855	14.7
109.06503	8.5
109.10146	10.4
111.04466	12.6
111.08056	3.3
115.18028	2.3
117.07030	17.1
119.08585	16.2
121.06496	9.5
121.10131	16.3
123.08021	3.3
123.11703	6.6
125.05997	2.5
126.77635	2.6
127.03905	17.5
129.05469	8.0
129.07025	7.3
130.55632	2.2
131.08598	15.3
131.09395	2.7
133.06534	4.4
133.10158	16.9
135.08078	3.8
135.11702	12.8
137.00887	2.2
137.05933	3.0
141.06982	3.6
143.08589	4.9
145.04982	3.9
145.10129	5.9
147.08063	2.8
147.11688	11.3
149.09572	4.1
149.13255	25.9
151.07457	3.1
151.11203	3.3
155.08618	4.0
157.10074	3.1
159.11711	20.0
161.13281	3.9
165.12675	4.0
169.10240	2.7
171.02785	2.5
171.11717	5.2
173.13348	3.0
177.12735	11.5
179.14523	2.5
189.12819	3.5
195.13799	31.7
199.11119	2.7
201.12717	3.0
207.13780	2.5
213.14958	4.6
219.13731	3.9
261.15033	4.5
269.17444	18.0
297.17258	3.2
303.16006	4.7
321.16974	4.6
339.18082	7.2
395.20679	10.3
413.21732	100.0
413.30365	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	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	25.6
55.01866	6.8
55.05514	21.7
57.03433	47.4
61.02921	5.6
67.05509	67.1
68.99711	3.4
69.03434	84.9
69.07079	37.7
70.06590	7.4
70.57938	15.0
71.04979	16.7
71.35018	4.7
73.02927	8.9
79.05058	7.1
79.05495	56.3
81.03425	76.8
81.07058	100.0
83.01412	5.6
83.04988	23.2
83.08610	17.1
85.02908	41.9
85.06528	5.2
86.09718	5.3
87.04473	9.2
91.05472	37.3
93.07048	66.8
95.04961	14.0
95.08624	36.1
97.02899	37.4
97.06551	24.1
98.16838	4.3
98.21459	4.3
99.04472	23.4
101.02354	6.6
103.03957	11.4
103.05389	5.8
105.07029	32.3
107.04973	28.2
107.08605	46.3
109.02888	35.5
109.06519	9.6
109.10178	6.9
111.04456	5.6
111.08073	5.1
117.07014	14.9
119.04931	5.0
119.08602	16.6
121.06490	8.4
121.10160	30.2
123.04413	11.1
123.08019	8.9
123.11707	10.7
125.06009	4.5
127.03931	42.0
129.05502	8.5
129.07045	7.9
131.04890	10.0
131.08533	24.9
133.06473	9.1
133.10147	19.3
135.07967	7.4
135.11697	13.8
137.06006	18.0
143.08525	7.0
145.04944	6.1
145.06541	5.8
145.10127	16.2
147.04482	5.9
147.08139	5.6
147.11710	13.3
149.09659	7.0
149.13246	48.4
159.04517	4.6
159.08049	5.9
159.11720	23.4
161.09636	4.7
163.11288	5.6
165.12756	4.8
167.23143	4.9
169.10123	4.9
171.11676	7.1
173.09633	6.8
173.13354	5.5
177.12793	13.5
185.13206	5.0
187.07471	6.7
195.13788	33.2
201.07518	8.5
201.09210	5.2
202.09668	9.2
203.10315	9.1
215.10788	4.6
219.10326	5.3
220.10527	10.4
228.02956	4.3
233.15419	5.6
249.14975	5.2
251.07014	9.7
265.08893	5.4
269.17416	25.0
275.16437	6.1
303.16022	4.9
339.12271	8.8
339.17963	6.3
378.12546	45.2
395.20724	6.9
413.16547	5.1
413.21771	88.8
413.34320	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	413.269
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03937	3.7
55.01863	1.8
55.05501	4.8
57.03439	1.6
57.07063	1.1
61.75201	0.7
65.03941	1.4
67.05513	12.0
69.03434	4.1
69.07071	6.4
69.34689	3.0
69.35114	3.3
70.06580	3.2
71.04979	3.1
79.05499	29.5
81.03428	4.5
81.07061	100.0
82.07394	1.0
83.04982	4.5
83.08624	5.1
85.02888	1.4
85.06550	3.0
91.05484	18.5
93.06489	1.4
93.07049	19.2
95.04956	2.2
95.08614	11.8
97.02885	1.8
97.06525	3.5
97.10152	1.7
98.21535	1.6
99.04462	6.7
101.06054	1.3
103.05440	1.2
105.07041	19.0
107.08598	23.8
109.02885	1.2
109.06527	39.0
109.10172	7.0
111.04378	0.9
111.08080	2.3
115.05467	1.1
115.08687	2.4
117.07033	7.1
119.08584	25.1
121.06515	2.0
121.10143	11.5
123.08080	3.7
123.11726	3.9
128.06221	1.2
129.07018	4.0
131.08575	10.3
133.06441	1.9
133.10141	22.1
135.08058	16.6
135.11700	5.3
137.09621	1.5
137.13235	1.3
139.11192	1.0
142.07762	2.3
143.08551	8.1
144.09268	1.0
145.10124	12.5
147.08069	3.9
147.11710	10.3
149.09628	22.3
149.13295	2.3
151.11201	1.1
153.09070	1.0
155.07024	0.9
155.08578	1.6
157.10129	9.1
159.08046	1.7
159.11702	12.4
161.09631	16.7
161.13251	7.5
163.11234	3.9
167.10640	1.1
169.10121	3.4
171.11736	6.2
173.09659	4.4
173.13290	5.9
175.11198	6.9
175.14853	2.6
177.09142	1.9
177.12752	2.4
179.10690	3.4
181.12329	1.2
183.11716	5.6
185.09641	1.4
185.13271	7.7
187.11189	2.7
187.14806	4.4
189.09109	0.8
189.12744	3.4
191.10635	2.4
191.14439	1.3
193.10728	0.8
193.12244	6.3
195.11765	2.0
195.13669	1.8
196.12474	1.2
197.13289	2.9
197.39555	1.0
199.11205	2.3
199.14888	4.0
201.12759	3.2
201.16435	2.1
203.14307	4.5
203.17986	2.3
205.12251	1.7
207.13805	2.1
209.13277	1.2
209.15216	0.9
211.11212	1.5
211.14909	2.3
213.12669	1.6
213.16258	1.1
215.14273	2.4
217.12219	1.4
217.15944	1.0
217.19516	1.1
219.11801	1.0
219.13843	2.7
221.13373	1.9
221.15402	3.0
223.14909	1.2
225.16342	2.0
227.14362	2.0
227.18040	4.2
229.15958	2.3
231.13847	2.0
231.17438	1.8
233.15427	2.3
235.14859	1.4
235.16960	2.0
237.16429	1.0
239.14301	1.4
241.15910	1.3
241.19562	1.2
243.13712	1.2
245.15329	4.2
245.19029	6.0
247.16946	4.3
261.18558	1.2
267.17578	1.6
269.19104	1.5
279.17596	1.4
283.16922	1.1
287.19965	5.7
291.21240	0.9
293.18936	1.5
304.20175	1.2
305.21252	5.5
311.20123	1.0
311.23486	1.1
335.20084	1.1
335.23495	4.1
351.23175	0.9
353.21045	2.2
353.24878	3.3
369.24255	1.1
377.24667	2.5
395.25787	8.2
413.21988	3.5
413.26849	55.3
414.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.5
55.01888	5.1
55.05511	14.1
57.03439	24.5
57.07072	3.1
65.03931	3.1
67.05506	94.1
68.75643	2.1
69.03090	3.9
69.03435	46.1
69.07076	17.3
70.06564	2.8
71.01344	10.2
71.04974	14.0
73.02911	9.1
75.04460	2.9
77.70329	2.0
79.05499	44.7
79.65729	2.0
81.03411	7.3
81.07059	100.0
81.07537	5.4
83.04988	2.4
83.08624	10.6
85.06508	3.0
89.44435	2.6
91.05484	24.9
92.14791	2.4
93.07047	55.5
93.07639	2.7
95.04979	2.7
95.08610	75.9
97.06541	4.9
97.10169	4.5
99.03850	3.9
99.04454	47.0
99.08092	3.3
105.07029	18.5
107.08592	41.4
108.08920	2.5
109.10161	47.5
115.08736	3.7
117.05487	37.5
117.07025	7.6
119.08601	15.2
121.06469	5.6
121.10136	30.5
123.08077	3.3
123.11705	26.5
131.08586	17.5
133.10133	9.1
135.06558	13.4
135.11694	26.2
137.13306	10.8
145.10120	15.4
147.11702	10.9
149.13237	19.4
159.11664	11.6
161.13264	8.8
163.14818	12.0
165.16516	2.8
173.13245	14.0
175.14815	3.9
177.16393	4.9
187.14833	7.5
209.15587	3.1
228.96321	2.3
243.21098	16.5
261.22147	73.5
263.23703	2.8
279.23175	50.3
377.26917	8.2
395.22925	2.7
395.27939	9.6
413.29486	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	413.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.05515	35.3
57.03438	4.5
57.07068	13.4
67.05509	48.2
69.03436	4.7
69.07066	37.1
69.14510	31.1
71.08644	3.3
73.83789	3.2
79.05497	35.1
81.03426	4.7
81.06599	4.9
81.07064	76.3
83.04985	3.6
83.08622	22.2
85.10185	3.9
91.05480	32.9
93.07047	79.4
95.05039	3.8
95.08612	72.5
97.06514	4.0
97.10179	13.1
98.21479	6.4
99.08142	3.4
104.07092	22.8
105.07030	46.5
107.08601	78.3
109.06499	5.4
109.10155	45.0
111.11718	5.8
117.07008	9.0
119.08592	43.8
121.10135	26.2
121.47294	3.4
123.11711	22.2
125.13247	3.7
129.06978	6.9
131.08575	21.8
133.10143	31.0
135.11699	49.4
135.81122	3.1
137.13211	7.1
141.67273	3.5
143.08563	7.6
145.10121	40.9
147.11700	18.5
149.13301	19.0
157.10143	4.7
159.11702	39.2
161.13232	16.7
161.98672	3.5
163.14865	5.9
171.11656	5.0
173.13266	22.5
175.04579	5.4
175.14851	12.2
177.16518	5.4
185.13252	4.3
187.14839	11.9
189.16399	7.3
191.14366	3.3
199.14856	4.1
201.16393	10.4
203.17978	4.4
213.16466	4.9
215.17996	7.8
229.19568	6.7
277.21747	3.7
291.23383	5.2
305.24915	4.1
313.10449	3.5
343.26370	6.7
349.17584	3.9
353.28647	4.3
357.27722	4.5
395.36948	6.5
396.34900	4.4
413.21771	7.1
413.33890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03933	10.2
55.05510	25.9
57.03429	8.0
57.07068	6.4
62.55761	2.9
64.41379	2.7
67.05507	53.8
69.03416	12.0
69.07066	30.0
69.21034	7.5
69.21459	19.8
71.04995	5.9
79.05498	32.1
81.03405	12.4
81.07057	85.9
83.04965	3.8
83.08626	14.9
85.02891	5.0
85.06531	3.7
91.05486	30.4
93.07047	76.2
95.04961	6.8
95.08603	68.7
97.02867	8.3
97.06537	3.5
97.10142	7.5
105.07022	41.2
107.08591	74.0
109.02895	5.9
109.10163	35.2
111.08080	3.4
111.11708	3.1
117.07011	9.8
119.08583	37.0
121.10153	33.0
123.08083	3.2
123.11734	17.2
127.03891	3.5
129.05455	3.9
129.06956	3.7
130.07794	3.6
131.08569	32.6
133.10124	24.3
135.11691	34.2
137.13213	3.8
143.08574	8.1
145.10123	33.1
147.11691	25.3
149.13263	29.4
157.10107	8.1
159.11716	32.4
160.53934	2.6
161.13266	13.0
163.14825	11.3
171.11649	6.1
173.13235	21.5
175.14810	8.4
177.12704	3.9
177.16359	6.4
185.13229	5.6
187.14781	16.8
189.16408	6.9
195.13794	5.6
199.14885	3.6
201.16393	12.7
203.18129	5.6
215.17976	8.3
229.19539	9.6
237.18498	2.9
243.21030	3.7
251.20140	3.6
257.22778	3.4
271.24374	4.1
277.21716	4.9
291.23148	2.9
305.24835	3.5
317.24899	5.6
325.25482	4.0
329.24860	3.3
343.26385	8.4
357.28003	6.4
395.33118	4.2
413.22095	19.7
413.34116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01868	3.4
55.05515	65.1
57.03442	25.8
57.07077	59.7
67.05504	26.2
69.03432	2.7
69.07071	82.0
70.26196	1.4
71.04992	3.8
71.08636	36.2
73.06563	1.6
79.05499	11.0
81.03439	2.2
81.06594	2.2
81.07059	35.9
83.04974	4.6
83.08620	56.3
85.06524	3.7
85.10186	19.2
86.33762	1.3
91.05486	3.2
93.07043	21.4
95.08616	35.5
97.06526	11.8
97.10167	38.5
98.10557	1.3
98.21564	1.9
99.08109	1.5
100.69231	1.2
105.07031	4.1
105.14766	1.2
107.08604	13.6
109.10157	19.1
111.08077	7.2
111.11715	10.2
115.07551	3.1
117.07034	1.4
119.08577	1.9
121.10150	17.5
123.08080	1.5
123.11689	7.2
125.09608	7.4
125.13287	3.0
129.09138	2.4
131.08507	2.0
133.10103	2.8
135.11693	14.6
137.13283	3.2
139.11183	6.2
143.10669	3.2
145.10046	1.6
149.13268	10.9
151.14885	1.9
153.12737	5.6
153.16328	1.3
157.12300	1.6
159.11620	2.0
163.14818	7.0
167.14333	4.2
177.16374	3.9
181.15898	4.3
191.17953	2.6
195.17528	2.8
199.17001	1.6
205.19533	3.5
209.19084	2.8
213.18433	1.6
215.06525	1.3
219.21140	1.9
223.20712	1.9
224.19948	1.3
233.22633	1.3
237.22113	1.7
303.30478	5.0
321.31552	12.8
324.13010	1.3
357.60568	1.3
381.45816	1.3
395.35367	14.4
413.36285	100.0
414.36612	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	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01869	1.9
55.05513	52.8
57.03438	23.0
57.06795	2.6
57.07076	49.9
61.40351	1.5
67.05503	25.0
69.03421	2.2
69.07069	72.1
71.05000	3.1
71.08633	38.0
73.06564	2.1
79.05490	8.3
79.25751	1.3
81.07054	39.4
82.94707	1.3
83.04974	2.8
83.08618	46.5
85.06541	3.0
85.10188	17.6
91.05463	2.9
93.06490	2.1
93.07040	16.9
93.07570	1.9
95.08604	32.2
97.06540	8.9
97.10168	33.1
99.08092	2.4
99.11721	1.8
101.06011	2.0
105.07047	2.9
107.04943	1.3
107.08593	16.7
109.10165	17.0
111.08091	7.7
111.11728	8.4
115.07561	1.6
117.07018	1.3
119.08580	1.3
121.10151	15.6
123.11716	7.4
125.09649	7.9
125.13294	1.9
129.09100	3.2
131.08586	1.2
135.11696	11.8
137.13258	2.7
139.11212	6.4
143.10687	2.9
145.10104	2.8
147.11699	2.8
149.13260	9.6
153.12753	7.1
157.12262	2.2
163.14806	6.6
165.16367	1.5
167.14372	3.8
177.16440	5.0
181.15959	3.4
185.15251	1.8
191.17982	2.9
195.17429	2.0
205.19557	4.0
209.18994	2.3
223.20644	2.1
237.22278	3.0
241.19435	1.3
247.24181	1.8
251.23619	1.6
265.25302	1.5
303.30521	6.6
321.31488	14.1
332.67307	1.1
339.32651	1.4
395.35254	16.1
413.36313	100.0
414.36621	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	413.3778
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
53.03933	5.6
55.05512	23.9
57.03417	3.3
57.07077	24.8
67.05179	3.3
67.05505	30.3
69.03422	5.5
69.06687	2.3
69.07071	45.3
69.13470	19.2
71.04983	2.3
71.08620	14.8
79.05499	20.8
81.03436	3.8
81.06594	4.1
81.07061	65.2
83.04981	4.5
83.08626	20.2
85.10200	4.5
91.05458	18.1
93.07050	46.5
95.08611	100.0
97.02899	3.4
97.06539	2.5
97.10156	13.9
99.04464	2.6
105.07033	30.0
107.08600	53.3
109.10161	60.5
111.08063	2.7
111.11711	6.2
117.07013	6.1
119.07809	3.7
119.08590	37.9
121.10149	53.1
123.11726	28.8
125.13219	2.6
127.03896	2.8
129.07036	2.8
129.62366	2.0
131.08598	13.8
133.10132	27.1
135.11687	33.2
137.13283	11.8
143.08586	5.1
145.10130	12.6
147.11711	25.8
149.13287	25.4
151.14819	7.3
157.10208	4.5
157.81200	2.4
159.11694	20.0
161.13263	20.3
163.14835	17.0
165.12738	4.8
171.11760	4.5
173.13257	17.2
175.14853	15.9
177.12737	2.1
177.16408	17.7
179.18019	2.7
185.13306	3.0
187.14825	14.3
189.16379	13.3
191.17972	24.8
193.19522	6.5
193.99902	2.4
199.14784	2.0
201.16376	13.1
203.17964	9.3
205.15871	2.4
205.19539	8.5
207.21126	4.9
213.16386	2.4
215.18016	7.3
217.19507	7.2
219.21141	8.4
227.17943	4.1
229.19527	9.7
231.21150	3.9
233.18893	2.4
233.22702	9.2
241.19624	6.2
243.21181	3.5
247.20636	4.5
248.14186	2.3
255.21071	4.2
259.24350	2.1
269.22662	5.8
283.24127	5.0
287.24048	2.4
287.27344	5.0
297.25668	4.0
299.27408	4.6
315.26956	4.7
327.30707	2.9
395.36813	41.7
396.37497	2.7
413.21637	8.9
413.26575	3.0
413.32785	5.9
413.37820	74.0
414.38220	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	414.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09865	0.5
53.03954	2.7
55.01875	1.5
57.03433	1.3
59.88837	0.5
61.02922	1.1
68.99799	1.5
69.03432	11.0
69.90646	1.0
69.91057	2.1
70.06592	0.8
71.05009	0.9
72.08144	0.6
73.02925	1.7
81.03423	10.7
85.02908	14.4
85.03384	1.0
86.09703	1.3
87.00831	6.5
90.97417	0.6
91.04005	0.7
97.02892	5.6
98.21448	0.7
99.04473	3.2
103.05479	0.7
104.04984	1.7
105.01846	3.3
107.04923	0.5
109.02876	8.3
117.01921	1.2
127.03925	11.2
129.01851	1.1
131.04939	3.1
145.04968	3.0
147.02925	0.9
148.02165	76.5
149.02521	0.7
159.02893	5.3
166.03232	100.0
167.03522	0.9
191.97075	0.6
231.05035	1.9
413.21481	3.2
414.08383	2.5
414.16040	0.9
414.21677	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	414.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
56.05038	1.1
58.99590	12.8
65.44282	0.6
67.05492	0.8
69.03427	1.3
69.07072	0.7
69.65924	3.5
70.02982	0.6
70.06596	19.9
71.06910	0.6
71.16954	0.6
72.08167	2.1
74.06073	0.9
76.02232	74.5
76.03996	2.2
79.05490	2.1
80.05009	1.2
81.03407	0.7
83.06107	2.1
84.04510	15.2
84.08150	4.8
85.02896	1.1
86.09711	5.3
86.99055	3.7
88.02186	1.1
88.03957	0.7
95.04975	1.5
99.05637	0.8
107.04961	100.0
108.05321	0.8
108.08934	0.7
109.02876	0.7
110.06036	0.8
110.07175	1.3
114.03780	0.7
114.35353	0.6
115.08722	0.8
116.01691	18.3
116.07092	2.3
119.03606	0.9
120.06571	1.4
124.07610	1.0
127.03937	1.0
127.08680	1.9
129.06612	1.0
129.10251	2.3
130.05014	7.6
131.04926	0.9
136.06204	8.9
136.07562	1.1
136.32291	0.7
137.06702	3.3
142.03220	6.8
143.11795	1.3
144.01158	9.7
148.07596	0.9
148.11241	1.1
152.07050	1.0
155.08194	1.2
162.02216	33.1
162.04120	4.6
163.04449	2.3
170.02760	2.4
173.09280	1.4
179.04865	77.5
182.06319	4.7
183.15007	4.0
187.05371	1.8
226.11949	1.6
233.05943	13.9
245.05946	2.8
252.12453	1.4
281.09958	2.4
282.10339	4.5
285.09137	3.0
286.17523	1.6
290.08374	1.0
291.06433	1.6
308.09116	19.6
308.12433	1.2
311.20755	1.4
346.38641	0.8
348.92511	0.8
396.12259	0.8
396.23056	0.7
414.13409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
55.82998	1.4
56.19546	1.2
57.03435	3.5
59.05005	55.0
61.02920	2.3
69.03428	9.4
70.06592	9.3
71.48446	1.8
72.08146	5.7
72.32628	1.5
73.02902	1.5
73.06561	100.0
74.06086	1.5
81.03411	6.2
84.04478	2.5
84.08141	5.4
85.02914	22.6
86.09705	10.4
87.00819	8.1
97.02905	8.2
99.04459	5.3
105.01877	8.1
107.04945	6.6
109.02877	6.1
110.07130	2.2
117.09154	12.4
120.08102	4.8
127.03927	12.7
129.10266	2.5
131.10707	13.9
145.04961	4.7
145.08583	1.5
148.07536	2.5
149.11742	80.7
159.02901	3.0
210.47763	1.4
231.04942	2.0
340.96161	1.4
352.59296	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	414.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05238	1.0
55.05512	19.5
57.07075	12.9
57.94871	0.6
58.06580	1.9
65.03958	0.6
67.05498	3.2
69.03410	0.7
69.07069	29.2
70.88815	1.3
71.08295	0.7
71.08640	8.1
71.71262	0.6
79.05483	2.2
81.07057	6.6
82.07386	0.7
83.08623	22.2
85.10180	4.9
91.05443	0.9
91.27249	0.6
93.07065	3.7
95.08607	4.9
97.10169	22.1
101.90520	0.7
101.99171	0.6
102.05548	12.3
104.07105	100.0
105.06985	0.8
106.07374	0.8
107.08598	3.4
109.10168	2.3
111.11720	9.6
119.08573	1.6
121.10162	2.3
123.11667	1.0
125.13255	3.9
130.04997	0.7
135.11674	2.5
136.12059	0.6
139.14836	0.9
145.10143	0.8
149.13272	1.1
161.13370	0.7
163.14793	1.5
177.16400	0.8
181.74963	0.6
231.75685	0.7
233.22429	0.7
265.32178	0.7
275.27341	2.7
293.28378	8.8
396.34680	12.3
414.34787	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	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67339	0.3
56.96566	6.8
57.70987	0.3
59.75406	0.3
62.32901	0.3
69.48547	2.3
71.95261	2.4
80.65064	0.3
98.21567	0.4
98.97586	97.8
106.44700	0.3
107.00503	0.3
116.98624	34.7
130.93301	1.0
134.99655	6.8
140.00195	1.0
154.93356	0.7
172.94356	5.5
190.95413	2.5
208.96573	0.6
214.95354	4.7
230.98418	0.5
232.96481	6.8
250.97531	2.3
256.96451	23.7
258.99759	1.3
260.00037	0.6
272.94333	0.4
274.97513	100.0
275.97855	1.4
277.00882	1.1
282.99911	0.7
288.98837	0.4
292.98560	42.0
293.98898	0.7
297.99072	1.4
301.01154	0.6
316.00357	0.4
414.95386	4.3
432.96475	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37674	7.9
61.02923	8.4
68.51264	6.6
69.03419	12.9
70.06606	9.4
70.29550	17.9
70.29947	14.3
85.02911	38.2
97.02892	9.1
98.97559	15.1
99.80658	7.6
102.47689	6.8
107.04982	39.1
118.60143	8.0
127.03945	7.6
128.98535	7.3
139.97879	7.2
185.14856	8.2
189.13062	8.5
201.00748	7.3
219.01807	9.4
221.05234	6.7
243.55447	9.7
244.06146	11.6
253.03659	9.1
271.95432	7.3
287.05524	15.4
361.02194	18.3
415.09991	100.0
415.14984	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
54.40588	1.0
55.01851	1.3
55.05498	1.1
57.03426	1.4
61.02908	1.3
62.84272	1.0
65.03928	2.7
67.05503	2.9
69.03429	12.3
69.07067	2.0
70.06584	3.0
71.04984	1.5
73.02927	1.0
79.05476	3.8
81.03420	13.9
81.07036	3.8
85.02914	10.4
86.09696	3.3
91.05464	2.8
93.07037	2.7
95.04984	1.4
95.08622	2.5
97.02905	5.6
97.06517	2.1
97.10136	1.3
97.18413	1.0
99.04469	2.2
99.94547	1.1
103.05472	6.5
105.07002	8.1
107.04961	70.4
107.08597	2.0
109.02852	5.8
109.10157	2.4
111.04418	1.2
115.25051	1.2
119.04948	3.9
121.02873	100.0
121.06484	3.6
121.10124	2.1
127.03905	4.4
131.04933	64.7
131.08525	1.4
132.05289	0.9
133.06512	13.0
133.10107	1.0
137.05994	1.9
137.13388	1.0
143.08591	2.1
145.06433	1.3
147.04410	7.9
147.11690	1.1
149.05997	5.1
149.13205	1.1
157.06444	1.5
159.04427	25.9
159.11691	1.4
167.07025	2.9
167.08430	1.2
168.08125	1.5
169.10130	1.4
175.07484	1.3
177.05482	18.1
177.06923	2.1
178.07758	1.5
179.08574	6.4
181.04936	1.4
181.06458	1.3
182.07271	3.7
189.09090	1.5
197.05960	1.5
197.09637	5.7
207.07935	1.8
210.06796	6.0
213.79056	1.1
225.09111	71.4
229.22086	1.3
235.07512	1.3
249.08948	1.1
249.99347	1.1
251.07111	1.6
253.08612	27.9
277.08600	1.2
295.09390	1.8
303.08655	1.3
312.06726	1.6
397.12677	5.3
415.13916	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	415.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01878	2.8
55.05520	2.3
57.03424	2.0
65.03938	3.3
67.05507	3.6
69.03437	13.0
69.07069	2.0
70.06596	2.9
70.20461	3.4
70.85782	1.1
71.04990	1.8
77.29486	1.2
79.05501	5.0
81.03429	13.6
81.07040	3.3
82.17027	1.3
85.02905	10.1
86.09692	4.1
90.18991	1.1
91.05482	3.9
93.07030	3.1
95.04979	2.0
95.08636	2.4
97.02892	3.8
97.06549	2.5
99.04436	1.8
102.72235	1.1
103.05488	7.3
105.07044	8.1
107.04962	72.1
107.08594	2.4
109.02892	5.5
109.10153	2.8
111.04442	3.0
119.04955	5.3
119.08559	1.6
121.02876	100.0
121.06509	3.6
127.03909	7.0
131.04933	73.2
131.08594	1.8
132.05763	2.3
133.06497	18.2
133.10117	1.6
135.11722	1.4
137.06017	1.9
141.07065	1.7
145.06485	1.9
147.04407	11.9
149.05971	6.7
153.06969	1.7
158.09647	1.1
159.04427	27.3
159.57933	1.2
167.07076	2.1
167.08592	1.7
168.05751	1.5
177.05504	22.0
177.07083	1.7
179.08620	6.0
181.04984	2.1
181.06456	2.6
182.07155	2.4
183.07896	1.1
189.09126	1.8
189.12715	1.4
197.09624	7.5
207.08032	3.0
210.06831	6.5
223.07541	2.0
225.09109	76.6
229.92604	1.2
243.06503	1.4
251.07043	4.5
253.08598	28.1
295.09830	2.5
312.06927	1.6
349.29556	1.2
397.13007	4.2
415.13953	4.0
415.22995	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	415.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01871	1.3
55.05511	1.7
59.89423	0.8
66.07477	0.8
67.05500	2.8
69.03431	5.6
69.07065	2.9
70.06596	1.0
71.04976	1.2
71.47966	1.5
79.05496	3.5
81.03417	7.9
81.07066	6.3
83.04976	1.4
83.08616	1.7
83.63147	0.8
84.08165	1.1
85.02906	7.2
85.06541	1.4
86.09708	1.4
88.74155	0.8
91.05481	6.7
91.07169	0.9
93.07048	4.9
95.04962	2.4
95.08616	4.7
97.02892	2.2
97.06528	3.0
99.04452	1.5
103.05455	7.0
105.07053	5.4
107.04960	100.0
107.08586	3.5
109.02870	2.8
109.10136	2.3
110.07130	0.8
111.04457	1.4
117.07015	1.9
119.04932	4.6
119.08585	2.6
121.02859	12.4
121.06496	2.9
121.10133	1.9
123.08065	0.9
123.11700	1.1
125.06126	0.8
127.03917	2.6
129.07014	1.6
131.04050	1.6
131.04942	20.9
131.08589	1.6
133.06505	3.0
133.10135	12.1
135.08058	1.5
137.05968	2.2
139.11159	1.1
143.08621	0.9
145.10123	2.2
147.04420	11.7
147.11682	1.5
149.05991	3.5
149.07822	1.0
149.09688	1.4
149.13287	1.2
153.05421	0.9
157.06456	1.2
157.10146	1.9
159.04420	16.4
159.05652	1.4
159.07993	1.0
159.11656	1.3
165.06972	0.8
167.07018	1.4
169.10123	1.5
173.05885	0.9
173.09679	1.2
177.05467	17.0
179.08611	1.2
181.05006	1.7
181.06451	1.3
182.07249	1.7
183.08029	2.1
187.11208	1.0
189.10956	1.0
195.06538	1.0
197.09663	5.4
205.12384	1.0
209.09758	0.9
211.11224	3.9
225.09070	9.0
251.06612	1.1
253.08612	48.1
254.30432	1.0
289.03384	1.7
295.09528	2.2
311.16400	1.8
317.03027	1.1
397.12552	5.4
415.04422	1.3
415.09579	7.0
415.31940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3572
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
50.51209	4.7
51.67821	4.4
53.03946	6.1
55.05522	23.0
57.07074	10.8
67.05509	35.0
69.07072	73.4
71.04991	11.2
71.08659	5.7
71.49070	9.3
71.80948	5.6
73.80933	4.7
74.18781	4.5
79.05499	31.3
81.07065	82.5
83.08623	17.9
85.06530	9.1
91.05488	16.5
93.07053	65.2
93.69975	4.9
95.08618	100.0
97.06519	9.7
97.10178	12.2
99.08106	10.6
105.07041	34.4
107.04956	10.4
107.08592	70.7
109.10161	68.8
111.11718	26.3
113.09636	5.3
117.07035	5.9
119.08598	72.9
121.10154	64.3
123.08066	8.4
123.11734	30.1
127.11206	10.8
131.08571	14.1
131.61577	5.0
133.10138	35.0
135.11714	40.8
137.09583	4.4
137.13258	7.2
139.11140	13.3
145.10115	16.6
147.11664	28.6
149.13251	42.3
150.06819	9.1
151.07584	30.6
151.11205	5.3
153.12704	5.9
159.11699	18.6
161.13275	26.4
163.14838	29.4
165.12820	5.1
173.13287	24.0
175.14841	16.4
177.16370	10.0
183.25316	4.6
187.14862	13.6
189.16426	25.1
191.10779	6.9
201.16338	9.7
203.17982	17.2
215.18021	8.3
217.19633	5.4
229.19505	10.7
231.21071	15.0
243.21069	7.2
261.22144	5.9
379.33575	7.5
397.34833	27.2
415.35468	20.1
416.36523	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	415.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02578	4.4
55.05523	19.8
57.01025	4.0
57.07071	8.0
67.05518	22.2
69.03412	3.9
69.07064	27.9
69.80718	23.4
71.04986	4.6
71.08619	8.3
71.14694	4.2
79.05489	22.6
81.07066	51.3
83.08620	19.6
84.10902	3.9
91.05487	25.8
93.07046	70.0
95.08609	100.0
97.10129	7.4
99.08065	12.5
105.07042	29.5
107.08596	67.4
108.03867	4.2
109.10152	53.6
119.08597	65.1
121.10145	96.8
123.11696	32.7
131.08574	9.3
133.10150	43.0
135.11691	56.1
137.13246	9.1
145.10110	15.2
147.11702	30.8
149.13278	28.9
151.07520	6.7
159.11720	7.0
161.13261	35.1
163.14821	27.3
173.13269	20.5
175.14812	38.8
177.16394	9.5
177.42276	3.8
187.14822	15.5
189.16417	29.1
191.17928	67.2
193.15742	4.0
203.17934	16.4
217.19513	12.4
219.21054	25.1
238.71211	4.9
290.37354	4.6
308.39856	4.8
309.71136	4.0
316.76617	4.3
379.33783	7.1
397.34796	66.4
415.04410	6.1
415.35599	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	415.3573
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05507	20.0
57.07088	10.4
67.05515	38.4
69.07078	38.2
71.04982	14.0
71.08616	9.6
71.49110	8.3
79.05497	27.2
81.07063	79.1
83.08623	17.2
91.05495	16.0
93.07053	71.9
95.04987	4.6
95.08619	100.0
96.81537	5.2
97.06540	12.0
97.10165	14.0
99.04466	44.5
105.07028	35.4
107.04968	12.3
107.08604	67.0
109.10155	52.6
117.07041	8.1
119.08595	55.0
121.10168	47.0
123.08084	8.7
123.11701	33.1
131.08575	9.1
133.10114	23.8
135.11700	41.3
137.13254	16.4
141.09105	17.1
145.10139	12.1
147.11687	17.7
149.13280	45.5
151.11163	7.3
155.13235	5.5
159.11707	10.4
161.13287	22.1
163.14854	29.5
173.13283	8.9
175.14903	6.9
177.04361	5.4
177.16426	10.4
182.05629	5.2
187.14761	9.6
189.16440	7.2
199.14816	5.2
203.17995	8.8
205.19527	10.9
229.19563	6.2
252.13104	5.5
267.94464	6.2
285.25488	5.6
326.89230	5.0
339.30600	6.3
344.97995	6.2
397.34692	16.4
415.35641	42.6
416.35767	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	416.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
56.05041	1.0
57.05817	0.7
66.49139	0.4
69.07073	6.3
70.06593	6.1
71.48138	0.5
72.08157	45.2
73.02931	0.5
74.02448	1.3
76.02260	0.5
84.04508	1.3
84.08144	4.6
85.02898	2.6
86.09710	100.0
87.05606	4.1
87.10052	0.8
97.02899	1.2
101.07173	0.7
107.04955	2.4
108.05276	0.5
109.48046	0.5
110.07182	1.0
116.03481	0.8
116.07145	0.5
120.08107	0.7
120.69768	0.5
124.03986	0.8
127.03907	0.8
127.51479	0.5
129.10243	2.9
133.06090	17.8
134.34451	0.4
136.07564	0.9
143.11801	12.5
145.04997	1.3
152.07294	0.5
156.07724	0.7
157.13368	5.0
163.05917	0.6
171.11302	16.4
185.12817	2.4
185.16472	0.6
200.10352	0.6
228.13495	1.1
229.11804	3.1
239.17534	4.1
246.14500	20.9
247.14754	0.5
254.13966	0.5
277.78793	0.4
284.19739	4.8
285.94162	0.5
317.18420	1.3
356.04364	0.8
416.25952	2.1
417.26184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37857	0.9
55.05520	8.5
56.05035	3.7
60.04533	1.6
62.50267	1.0
63.44933	0.8
67.05518	1.1
69.03428	2.9
69.07076	7.2
70.02957	2.5
70.06598	19.4
71.06931	1.3
71.48035	1.2
72.08160	100.0
73.02901	1.0
74.06091	1.5
75.05605	1.8
81.03429	1.6
82.06595	2.8
83.04984	1.2
83.06104	2.3
84.04505	12.7
84.08150	14.6
85.02904	3.9
85.04031	2.6
86.09711	100.0
87.05598	8.1
87.10046	1.9
88.03989	3.0
90.05563	1.3
91.05482	2.0
93.07056	1.2
94.06568	1.4
95.04942	1.3
95.06117	1.1
96.08138	3.6
96.65056	0.8
97.02892	1.6
98.02433	5.3
98.97601	1.3
99.09235	4.1
101.07140	4.1
102.05534	2.1
105.07039	1.0
107.04952	6.5
107.08583	1.2
108.08132	1.2
110.02413	1.8
110.07151	4.0
110.07862	1.3
112.08747	1.5
112.61337	1.2
115.05054	1.1
115.08698	1.3
116.07102	3.5
119.04955	1.6
119.08614	1.1
120.08118	3.0
122.06074	1.4
123.04475	1.3
124.07594	5.2
127.08691	18.7
128.07170	1.3
129.06528	1.6
129.10269	9.7
130.04990	8.6
130.06561	1.0
131.11786	1.1
133.10138	1.3
136.07599	12.9
137.06010	1.3
138.09178	2.5
141.10237	18.2
143.11777	9.7
145.04997	2.7
147.04419	1.3
147.07652	7.9
152.07083	2.9
155.11835	3.0
156.07634	1.8
168.06613	1.1
169.09729	14.3
171.11293	4.7
171.15024	1.3
183.11354	4.1
185.16460	3.5
186.12383	52.8
187.10767	1.3
189.12503	1.9
190.08223	1.5
195.15013	1.2
199.14435	1.8
199.18040	2.1
200.13945	8.7
201.12337	1.8
203.13948	14.7
205.12057	1.0
207.11279	3.1
213.15953	2.3
214.11877	31.7
218.11810	1.3
228.13481	4.1
229.11835	1.8
242.15004	3.6
246.14551	3.5
247.12834	2.8
254.13889	1.7
265.15302	1.7
270.17993	1.7
310.17429	1.6
312.19122	1.7
327.20346	7.3
341.22006	1.1
390.09756	1.1
401.81470	1.1
416.21347	1.9
416.26215	2.8
417.16498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05571	0.3
53.40351	0.4
55.05510	1.4
57.07071	1.1
67.05513	3.2
69.03425	0.6
69.07061	1.5
70.73386	1.1
71.08613	0.4
76.56017	0.4
79.05491	1.9
81.07060	1.6
83.05006	0.7
83.08621	0.9
91.05468	0.9
93.07037	1.3
95.04954	0.5
95.08610	7.3
97.10202	0.4
98.14982	0.4
105.07039	1.6
107.04965	8.0
107.08595	0.6
108.05739	0.6
109.06511	0.8
109.10234	0.4
110.10546	0.4
111.04441	0.9
119.08617	0.6
121.06512	1.5
121.10141	0.7
122.07298	9.6
122.08186	0.5
123.08072	12.6
123.11756	0.5
124.08858	1.1
135.04448	0.4
135.08081	3.3
136.44051	0.3
137.05998	2.3
138.06784	1.3
145.10118	0.9
149.06001	0.6
149.09697	0.4
150.06770	29.0
151.07549	100.0
152.08339	6.0
163.07526	1.4
163.11186	1.4
164.08372	2.7
165.09137	0.5
173.09660	1.6
176.08347	1.1
177.09105	2.2
191.10677	17.9
192.11073	0.7
205.12247	0.8
373.31137	0.8
416.36499	79.3
417.36771	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.90252	0.6
51.02360	0.7
52.07784	0.6
53.03927	1.5
55.01857	1.3
55.05494	1.2
61.31639	0.6
65.03940	3.2
67.05480	3.1
69.03401	1.4
69.07064	1.6
71.42834	0.7
75.03363	0.6
75.07800	0.7
78.04711	3.4
79.05515	3.5
81.03397	0.8
81.07034	2.6
82.04207	1.5
83.04974	0.7
85.02890	1.7
86.09705	0.7
88.03986	1.1
91.05470	3.2
93.03394	1.2
93.07018	1.3
95.04938	2.2
95.08583	1.9
97.06542	1.3
102.04678	0.7
103.05472	9.7
103.48083	0.6
105.03404	1.1
105.07034	2.8
106.04166	2.1
107.04962	13.4
107.08581	1.5
109.02890	1.0
109.06483	0.9
109.10157	1.6
110.03638	1.8
111.04434	0.9
115.05453	3.2
117.07019	7.0
118.04169	2.8
119.04890	1.1
119.08558	1.2
121.06512	1.9
121.10165	1.0
122.03716	0.9
123.04422	10.2
124.05225	2.0
125.05968	1.5
127.05472	0.9
129.06963	0.8
130.04158	1.4
131.04924	7.4
133.02858	0.8
133.06503	2.6
137.05951	1.8
138.03140	0.9
143.04887	0.6
145.06491	8.3
145.10144	1.4
146.03638	1.0
147.04440	1.1
147.08005	1.1
148.05206	4.8
151.03918	2.0
152.04672	2.2
153.05453	1.5
155.06041	4.8
157.06488	1.1
157.10121	0.9
159.08066	0.9
161.06020	1.2
163.07541	8.9
167.07043	100.0
168.07361	1.0
171.06613	1.0
173.05991	13.6
175.07526	1.4
176.32758	0.9
181.04959	51.8
185.09651	1.3
187.07452	0.9
189.12575	0.8
191.07028	28.0
195.06540	1.3
196.37650	0.6
197.09711	1.1
201.05569	0.7
202.03403	0.7
205.08658	2.6
207.06496	1.1
207.10153	1.0
209.08134	1.2
216.10196	2.8
219.10263	0.9
221.08186	1.5
233.08073	8.0
235.09570	3.6
237.09166	0.6
255.10179	1.9
263.09283	0.8
267.10242	1.2
307.09485	0.9
339.12497	1.0
367.11713	0.8
385.12613	0.9
387.14407	14.1
387.19223	0.9
388.14975	1.0
399.14386	1.2
417.15469	27.8
417.34024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.02362	0.7
53.03936	1.3
55.01847	0.6
55.05488	0.7
57.45984	0.6
65.03952	2.6
67.01884	0.5
67.05492	2.0
69.03415	1.2
69.07067	0.6
69.54143	0.5
70.77298	1.2
71.04984	0.6
71.32501	0.5
71.34516	0.5
78.04694	3.2
79.05491	3.0
81.03413	1.3
81.07052	1.6
82.04221	1.4
82.82119	0.6
85.02884	2.0
91.05472	2.1
93.03409	0.7
93.07042	1.0
95.04969	1.5
95.08628	0.6
97.06519	1.3
99.68645	0.5
103.05474	6.7
105.07018	1.8
106.04171	2.2
107.04957	6.7
110.03639	1.8
111.04464	0.8
115.05460	3.9
117.07021	5.1
118.04171	1.8
119.08603	0.8
121.06496	0.8
121.10126	0.6
122.03622	0.8
123.04430	8.0
124.05212	3.0
125.05955	1.3
127.05451	0.9
129.07028	0.7
131.04938	5.6
132.05667	0.7
133.02834	0.7
133.06488	1.9
134.03586	0.7
137.05954	1.4
138.03107	0.8
142.02582	1.1
145.06485	7.9
145.10089	0.8
147.04451	0.8
147.08047	1.0
148.05186	3.9
149.05948	0.7
151.03922	1.0
152.04672	2.4
153.05486	1.9
155.06023	3.4
157.06483	0.9
161.05928	0.8
163.07527	5.4
167.07045	100.0
168.07394	1.0
171.06499	1.6
173.05994	13.8
173.07387	1.1
175.07574	1.0
176.04721	0.9
181.04965	46.6
182.05289	1.1
187.07539	0.9
191.07031	19.3
195.06494	1.7
201.05437	0.7
203.07173	0.6
205.08607	3.8
217.08551	0.8
219.10173	0.9
221.08163	0.7
227.07253	0.6
233.05907	0.7
233.08095	7.7
233.10159	0.8
235.09674	4.6
241.08601	0.7
245.07999	0.6
255.10246	0.9
263.09189	0.8
264.45081	0.6
287.23380	0.5
288.58688	0.6
295.09613	0.5
329.10193	1.4
355.11993	0.7
357.13376	0.6
367.11514	0.7
381.13550	1.3
385.12823	0.9
387.14420	11.3
399.14664	1.4
417.15430	26.3
417.33456	0.7
418.15793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	1.7
65.03937	3.8
67.05480	1.4
69.03426	1.5
69.33179	3.3
69.33607	2.3
78.04726	1.8
79.05502	3.8
81.07037	1.1
82.04163	0.7
82.12964	0.7
85.02919	3.5
91.05473	2.5
93.03401	0.7
93.07021	1.0
95.04948	1.9
97.06522	1.5
99.04449	1.1
103.05470	6.0
105.07019	2.1
106.04189	1.5
107.04961	16.7
110.03642	2.3
115.05436	3.4
117.07021	7.0
117.30951	0.8
118.04147	3.0
119.04942	0.9
123.04432	6.8
124.05245	4.0
125.06000	1.6
131.04910	4.8
133.02843	0.9
134.03622	1.0
135.04465	1.2
137.05948	2.9
138.03082	1.1
142.02617	1.1
145.06516	7.8
148.05200	3.0
151.03839	1.0
152.04691	3.1
153.05486	1.2
155.06062	3.0
161.06017	0.9
163.07533	6.2
165.05495	1.0
165.11504	0.8
167.07043	100.0
168.07401	1.8
171.06494	1.5
173.05998	14.2
175.07616	1.0
177.05521	1.5
181.04958	60.5
182.05243	0.8
187.07730	1.0
191.07034	20.2
195.06566	1.9
202.07761	0.9
205.08655	4.0
209.08096	1.2
215.91968	0.8
217.08687	1.3
219.10109	0.9
221.07979	1.2
233.08055	8.8
235.07590	1.1
235.09581	4.0
241.08676	0.8
253.59361	0.9
255.06482	3.4
255.10106	0.8
299.50436	0.8
309.07706	0.7
381.13339	0.8
383.73654	0.8
387.14359	13.8
399.14551	2.0
417.15475	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.10046	0.3
53.03928	0.8
55.01862	0.6
55.05507	0.8
56.28897	0.3
58.69022	0.3
59.13796	0.3
59.46030	0.3
60.47245	0.3
64.41844	0.3
65.03931	1.3
67.05484	1.1
69.03421	0.8
69.07047	0.3
70.06573	1.3
71.10627	0.9
72.08150	1.7
74.06053	0.4
78.04713	2.5
79.05474	1.4
81.03398	0.7
81.07029	0.5
83.04967	0.4
84.08105	0.5
85.02898	1.8
86.09711	7.6
91.05474	1.5
93.07104	0.4
95.04974	0.8
96.05761	0.4
97.06501	0.5
103.05466	1.9
106.04176	2.4
107.04964	4.2
109.02891	0.6
110.03648	0.7
111.04419	0.5
115.05476	3.3
115.78091	0.4
117.07020	5.0
121.02879	0.7
121.06528	0.4
123.04433	8.0
124.05211	2.2
125.05991	0.7
127.05444	1.0
131.04845	0.5
134.03618	1.0
137.05959	1.2
138.77193	0.4
142.02675	0.6
143.11821	1.1
144.05687	0.4
145.06494	8.5
147.04381	0.5
147.07991	0.5
151.03902	1.6
152.04643	1.8
155.06050	3.9
167.07043	100.0
168.07359	1.5
171.04387	0.5
171.06633	0.5
171.11292	0.6
173.05997	16.3
175.07506	0.4
181.04965	18.5
181.08572	1.1
194.07143	0.4
205.08591	4.0
212.04713	1.8
216.58575	0.4
217.08658	0.5
227.07039	4.0
233.08089	8.7
235.09671	3.8
238.06343	0.3
247.12912	0.9
255.06548	4.1
255.09163	0.6
268.97076	0.4
277.08694	0.4
307.10220	0.3
387.14410	12.6
387.19275	0.8
388.14774	0.5
417.15488	24.3
417.27710	2.0
418.15836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69331	2.4
51.82927	2.4
53.03936	10.2
53.56391	2.7
54.20832	2.4
55.01857	8.5
55.05515	30.4
55.92390	2.9
57.03441	24.5
57.07080	5.7
60.47054	2.6
61.02931	53.3
65.03928	2.9
67.05511	63.7
67.72973	3.4
69.03154	2.5
69.03435	29.0
69.07072	34.2
70.06584	6.6
71.01340	8.4
71.04987	9.2
71.48770	4.0
72.74643	2.6
73.02913	23.8
79.05078	4.4
79.05498	63.9
81.03421	32.6
81.06606	4.0
81.07064	60.9
81.41313	2.8
83.04993	19.0
83.08640	13.6
85.02914	50.0
85.06534	12.0
86.09691	4.6
87.04455	2.6
89.12492	2.8
91.03966	32.6
91.05477	28.4
93.06492	4.7
93.07051	72.9
95.04955	8.9
95.08616	33.5
97.02898	46.3
97.06534	18.0
97.10162	12.2
97.57990	2.4
99.04460	10.3
99.08090	3.2
101.02378	9.7
103.03929	6.4
103.05453	7.4
105.07037	18.5
107.04959	48.3
107.08602	57.0
109.02863	14.5
109.06526	6.2
109.10173	25.7
111.04421	4.1
111.08074	6.9
111.11711	2.9
115.03909	4.4
115.05437	5.1
117.07018	12.7
119.08590	17.5
120.08173	3.4
121.06487	8.8
121.10174	25.8
123.04410	5.9
123.08059	4.0
123.11678	11.8
125.05978	3.4
125.09618	3.4
127.03924	17.3
129.05478	3.1
129.07036	6.3
130.06543	5.5
131.04886	6.7
131.08568	6.7
133.06447	3.8
133.10162	16.2
135.08057	6.7
135.11693	100.0
137.06021	19.2
137.09612	5.6
137.13264	6.1
143.08543	4.3
145.06490	6.9
145.10130	25.2
147.04390	3.9
147.11685	7.5
149.09567	3.3
149.13147	3.4
151.11163	5.3
153.05553	2.7
155.08560	3.6
157.10092	7.6
159.08119	4.5
159.11674	7.5
161.05971	3.7
161.09624	6.9
161.13237	3.9
163.11183	21.8
167.07072	44.3
167.08461	5.6
169.10150	3.3
171.11621	5.4
173.05960	6.8
173.13316	6.3
175.11215	3.4
177.12752	3.2
181.05002	15.7
181.12239	41.1
181.56009	3.1
183.11604	6.1
185.09605	4.3
187.11182	4.7
189.12753	7.3
191.07077	3.9
191.10612	4.1
195.07985	3.1
197.09663	3.0
201.07634	3.3
203.10509	2.7
205.08669	3.1
205.12204	4.1
214.21529	2.9
220.05257	2.7
229.15881	3.7
255.15892	70.8
283.15488	4.6
297.16763	3.4
381.31741	4.3
399.20529	4.2
399.32510	12.0
417.15237	12.4
417.21115	7.0
417.33817	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	417.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15912	0.5
54.63138	0.5
55.05509	3.3
56.05045	1.2
56.06341	0.4
57.03418	0.6
57.05801	0.7
60.04520	0.4
67.05525	0.7
69.03436	1.5
69.07072	7.5
69.51675	1.8
69.52081	1.2
70.06603	5.9
72.08159	43.3
73.08466	0.7
74.06091	0.6
81.03449	0.6
81.07055	0.7
84.04513	1.9
84.08151	2.1
85.02908	2.4
86.06091	0.7
86.09711	100.0
87.05588	0.6
87.10055	1.4
95.04987	0.9
97.02893	1.0
102.05546	1.0
105.07014	0.6
107.04974	2.5
109.02907	0.6
109.06547	0.6
110.07159	2.2
112.19465	0.5
116.07097	1.6
117.08024	0.4
129.10265	2.4
134.04498	1.0
135.11760	0.6
136.07608	1.3
141.10228	0.6
143.11806	21.3
151.07588	1.2
157.13411	1.1
163.11203	2.1
171.11292	15.3
185.16518	2.2
199.18135	0.7
201.12350	1.0
213.16023	1.1
218.22557	0.5
219.13885	1.7
233.11295	1.1
237.10269	2.9
237.14941	2.5
239.17619	2.0
247.12909	29.8
252.68483	0.5
255.11302	2.3
255.15939	0.8
284.19708	3.2
417.16534	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	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05519	11.1
57.03431	7.5
57.07078	5.6
65.03944	1.6
67.05506	59.9
69.07078	14.1
71.08615	3.5
79.05495	20.1
81.03436	2.3
81.07058	66.7
83.08608	9.6
85.06542	1.7
91.05478	12.3
93.07043	19.1
94.99712	1.1
95.04951	1.9
95.08610	63.6
97.06528	4.8
97.10177	4.0
98.21592	3.3
98.98470	93.8
99.08091	3.7
105.07038	9.0
107.04943	6.4
107.08599	13.7
108.05284	4.1
109.10159	27.3
109.10921	1.2
111.08066	3.2
113.09636	1.9
119.08587	10.7
121.10145	13.3
123.11715	14.3
127.11194	1.4
131.08592	2.0
133.10138	9.2
135.11745	6.9
137.09595	2.0
137.13283	7.9
147.11707	7.8
149.13263	9.6
151.11229	1.3
151.14847	5.2
155.01050	100.0
161.13275	6.4
163.14833	6.5
165.16400	5.0
175.14827	4.4
177.16287	1.4
179.14348	1.4
179.17975	1.3
189.16376	3.3
195.06512	1.1
205.79376	1.2
209.47995	1.3
229.66370	1.6
245.22655	21.7
263.23724	54.3
263.26596	2.6
287.92850	1.1
312.45901	1.2
360.88452	1.3
392.47836	1.2
409.11285	1.2
417.31729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.5
54.65517	0.6
55.05516	8.6
56.05037	1.5
57.05821	1.0
60.04537	1.2
61.02949	0.7
69.03435	1.8
69.07077	6.0
69.80685	2.9
70.06595	5.4
72.08161	100.0
73.08498	0.7
74.06095	3.3
75.04492	0.6
84.04509	2.6
84.08160	1.5
85.02921	3.6
86.09712	98.3
87.10044	1.3
91.05521	0.6
95.04993	0.8
96.04517	0.5
97.02929	1.4
98.20734	1.0
98.97585	0.6
102.05553	1.5
107.04962	2.3
112.88944	0.5
116.07105	2.5
118.08663	0.9
121.02913	1.2
127.03896	0.7
129.10234	1.4
130.05045	0.8
130.07784	0.7
136.07591	0.9
139.07529	0.7
143.11794	2.1
145.04927	0.9
151.98599	0.5
161.09215	0.7
163.11214	2.8
165.56186	0.6
171.07689	1.0
171.11292	1.6
171.14935	28.8
173.12907	0.7
175.10791	1.3
181.08627	1.0
181.12196	2.1
185.16478	3.3
187.10756	1.6
189.12245	0.8
199.14430	28.6
201.12366	4.1
203.13943	0.7
213.16074	1.4
215.10298	1.1
215.13942	2.6
217.37148	0.6
219.13420	24.3
227.17525	1.1
229.11763	1.7
243.13339	3.8
247.12878	1.0
255.15947	2.8
267.20721	1.2
284.16168	1.0
284.19293	0.6
302.17050	0.8
312.22839	3.1
417.11697	0.7
417.16687	0.9
417.24521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38422	1.8
53.03936	4.2
55.01860	4.4
55.05514	27.4
57.03436	1.9
57.07077	11.0
61.02280	1.9
65.03937	4.4
67.05504	37.7
69.03432	3.9
69.07072	37.7
69.88737	7.7
71.08619	3.0
73.44102	1.8
79.05505	20.0
81.03407	4.5
81.07057	100.0
83.04975	8.4
83.08630	17.0
85.06550	13.9
91.05471	12.8
93.07040	20.9
95.04957	5.6
95.08614	72.6
97.06548	2.8
97.10157	12.2
99.08089	4.5
103.05457	3.8
105.07027	15.4
107.04972	20.9
107.08600	20.8
109.02895	2.4
109.06506	13.9
109.10164	45.6
111.04422	7.5
111.08063	3.8
111.11709	9.2
114.00895	1.7
115.05460	2.2
117.07002	7.7
119.08590	15.6
120.08086	2.1
121.06504	3.9
121.10132	16.0
123.04399	3.9
123.08062	7.5
123.10938	2.8
123.11716	24.5
125.06003	10.8
128.06232	2.9
129.06993	2.4
131.04919	6.0
131.08559	9.0
133.06439	2.3
133.10104	12.0
135.08067	10.1
135.11716	11.0
137.05981	86.9
137.13242	9.3
139.07535	3.9
143.08539	6.7
145.06474	5.9
145.10170	11.2
147.04369	5.1
147.08046	4.7
147.11688	7.6
149.09650	11.0
149.13249	8.2
151.03891	2.2
151.07532	8.2
151.14806	6.5
152.04669	3.5
153.05449	1.9
155.08571	3.0
157.10120	8.5
159.08006	2.1
159.11661	11.4
161.09593	11.2
161.13255	5.7
163.11186	6.6
163.14748	4.3
165.16420	2.7
167.07056	40.4
171.11671	3.9
173.06029	8.0
173.09650	4.1
173.13263	6.2
175.11180	7.8
175.14830	3.1
177.12782	5.3
177.16399	2.6
179.10690	3.0
181.04956	16.4
185.09665	2.8
187.11113	4.1
187.14891	2.4
189.12701	4.6
191.07048	4.1
191.14238	2.9
193.12242	7.6
197.13376	2.5
199.14859	3.0
201.12752	5.1
203.14349	4.1
205.12206	6.4
211.14758	3.2
213.16318	2.4
215.14221	3.4
219.13773	3.1
229.15901	8.4
229.19254	2.1
231.17406	2.4
233.08002	3.6
241.15790	2.2
243.17462	5.6
247.16965	2.8
255.10216	2.1
255.17131	1.9
257.19006	8.5
271.20551	4.6
381.31320	10.5
387.14307	5.9
399.28522	2.1
399.32779	23.9
409.88968	2.2
417.14661	11.0
417.20395	2.5
417.33569	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	417.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
54.39733	1.9
55.01868	7.5
55.05271	2.8
55.05514	24.8
57.03434	5.6
57.06825	2.3
57.07069	10.9
61.02919	4.0
65.03918	4.9
67.05508	41.2
69.03422	6.8
69.07067	39.4
70.06580	7.2
70.91192	2.8
71.04984	3.1
71.08621	4.7
71.48605	2.5
71.48979	2.7
78.04675	3.0
79.05500	27.6
81.03397	6.7
81.07056	100.0
83.04964	8.7
83.08619	18.0
83.59051	2.4
84.08109	2.6
85.02898	7.8
85.06554	13.0
91.03963	3.6
91.05485	20.2
93.07043	25.1
95.04966	7.3
95.08606	61.2
97.02892	8.0
97.06532	5.7
97.10168	11.1
99.08103	3.1
103.05473	5.4
105.07042	22.0
107.04961	40.2
107.08596	26.6
109.02861	3.0
109.06532	13.4
109.10160	40.7
111.04459	6.4
111.08073	3.9
111.11713	7.2
115.05447	4.7
117.07027	7.8
119.04976	3.4
119.08564	18.9
120.08117	6.1
121.06490	7.2
121.10140	14.8
123.04427	10.5
123.08067	8.9
123.11703	19.6
125.05999	8.5
127.03947	3.4
128.06267	4.0
129.07014	5.3
131.03990	2.3
131.04939	10.5
131.08553	6.2
133.06480	5.5
133.10124	12.3
135.08066	10.9
135.11682	18.4
137.05983	78.2
137.13252	13.3
139.07529	5.4
143.08536	7.4
145.06477	7.9
145.10136	12.4
147.08060	5.1
147.11684	8.3
148.05200	2.7
149.09618	8.6
149.13275	8.6
151.03912	2.7
151.07565	4.1
151.11177	2.8
152.04611	2.4
155.06035	4.5
155.08545	3.9
157.06500	3.5
157.10143	8.9
159.08061	3.6
159.11713	10.1
161.09645	10.7
161.13280	7.6
163.07504	4.4
163.11186	8.9
165.09076	4.3
167.07050	85.8
167.08424	3.7
169.10078	4.4
171.07982	4.2
171.11713	5.6
173.05965	9.4
173.09578	4.8
173.13292	6.3
175.11154	8.2
177.12787	5.5
178.84956	2.4
179.08437	3.1
179.10703	3.3
181.04973	35.7
181.06471	2.9
181.12294	3.7
183.11766	3.8
185.09669	4.3
187.11176	6.9
189.09042	2.4
189.12810	3.3
191.07031	11.8
193.12334	4.7
195.08092	3.2
195.11769	2.8
197.13257	3.3
199.11208	3.4
199.14835	3.7
201.16356	2.6
203.14362	4.2
205.08583	3.8
205.12247	2.9
209.13336	2.9
211.14700	3.0
213.12776	2.4
215.14334	2.4
219.13860	5.2
233.08080	6.9
235.09676	2.7
243.17477	4.7
255.10196	4.1
255.15907	6.2
257.19012	4.4
381.31403	8.6
387.14420	9.9
388.96494	2.4
399.21405	3.8
399.32663	23.6
412.63037	2.3
417.15714	23.8
417.34146	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.7
69.80777	6.1
70.06585	5.7
72.08155	10.0
73.79843	1.3
74.06067	3.0
75.12751	1.3
84.04491	3.6
84.08147	18.2
85.02888	4.0
86.09705	14.4
93.07037	1.8
95.04980	1.5
96.29140	1.2
97.02956	1.9
98.20791	1.9
98.97581	6.2
103.05467	6.6
107.04942	5.5
107.16940	1.7
110.07153	6.1
110.97586	2.0
116.07070	1.5
120.08108	100.0
123.04411	4.3
124.07613	1.5
129.10239	17.9
130.05020	2.7
131.04974	2.3
131.96539	1.3
136.07518	1.4
145.60912	1.2
147.07600	1.7
150.05493	1.3
158.99632	1.7
159.11307	1.7
166.08650	48.4
201.00748	1.7
214.11839	2.4
219.01817	2.3
238.01669	1.8
240.05127	1.5
242.18478	2.1
273.06107	1.6
287.05441	2.0
294.41187	1.6
351.94263	1.4
418.26031	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	418.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82793	3.3
53.03934	5.0
55.05507	8.0
55.21024	3.1
59.04993	4.1
64.79162	3.2
67.05530	16.8
67.10646	3.4
69.07053	6.5
71.25371	2.9
71.48390	3.4
79.05480	19.6
81.07060	24.1
83.04971	4.9
83.08622	8.4
85.54491	3.4
91.05476	32.2
93.07043	36.4
95.04977	7.1
95.08608	15.5
97.06508	6.2
98.98439	8.2
105.07030	100.0
107.08602	33.3
109.06515	88.2
109.10168	17.9
111.08076	10.8
117.07013	13.4
119.08583	66.8
121.06490	7.2
121.10144	25.4
122.07278	4.3
123.08046	9.5
125.09642	4.2
128.06224	10.7
129.07011	15.9
130.07811	7.6
131.08553	25.4
132.83348	4.3
133.06532	5.0
133.10132	27.6
135.08037	12.3
135.11673	10.4
137.09627	20.4
141.06949	7.7
142.07768	24.2
143.08556	42.7
144.09338	13.3
145.10112	55.3
147.08061	16.3
147.11694	21.2
149.09625	6.1
151.11249	4.5
155.01038	7.0
155.08548	17.2
156.09367	14.6
157.10130	44.8
158.10886	6.9
159.11717	23.9
161.09637	8.7
165.07007	8.7
167.08617	5.1
169.10129	25.0
170.10899	8.4
171.11696	31.3
173.09621	8.2
173.13261	14.4
175.11153	10.4
175.14781	4.5
179.08536	10.1
180.09383	4.8
181.10114	15.3
182.10822	4.5
183.11678	16.9
185.09694	4.3
185.13269	11.9
187.11296	4.5
187.14818	6.3
192.09270	5.3
192.75005	3.6
193.10072	7.3
194.10873	6.8
195.11684	21.6
196.12512	4.8
197.09669	5.3
197.13200	13.8
197.31941	3.6
199.11098	6.2
199.14847	8.0
206.10835	4.5
207.11668	13.3
208.12527	6.9
209.13342	18.7
209.31631	4.0
211.14848	8.1
213.12714	7.6
218.10922	3.6
219.11685	7.1
221.13237	12.5
223.14812	12.6
225.12814	4.4
227.14268	5.0
235.14819	7.5
237.16464	8.5
241.15804	4.0
247.14934	4.7
253.15736	4.2
265.15854	7.5
272.25623	3.5
375.26761	3.7
418.17188	4.8
418.28699	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61194	2.7
51.88324	2.5
55.01633	5.4
55.01876	50.1
55.11504	2.6
59.00315	2.6
65.03937	9.0
67.05502	8.2
69.03454	2.8
69.21528	24.3
69.21925	5.3
79.05482	8.8
81.07060	4.3
82.04169	6.6
85.02902	4.8
91.05478	6.4
93.03387	3.7
93.07055	5.4
95.04951	5.8
97.06506	3.8
103.05466	23.5
105.04515	3.2
105.07030	16.2
107.04971	18.0
110.03656	4.2
115.05460	10.5
117.02129	2.6
117.07143	4.1
118.04203	4.7
119.04912	3.2
121.06495	7.8
123.04440	9.5
124.05140	2.7
124.59824	2.6
125.05994	4.1
125.75050	2.9
129.07050	5.4
131.04935	26.8
131.08554	3.2
131.86191	2.9
133.06474	15.1
134.42603	2.7
137.05974	10.2
138.03149	5.0
140.04645	4.1
144.05696	6.5
145.06514	4.4
148.05194	12.9
149.05995	17.9
151.07695	3.0
153.05406	4.2
157.06523	3.5
159.08052	12.3
161.06026	14.2
163.07553	21.0
167.07048	69.5
168.07314	4.4
169.07599	4.8
169.10144	3.0
171.06572	6.4
173.05975	5.7
175.07591	3.1
177.05453	48.9
181.04955	100.0
181.08632	3.2
182.05492	4.5
183.06573	6.2
187.07542	7.4
190.06119	3.4
191.07022	74.8
191.08612	5.6
193.08594	7.7
205.08633	10.1
207.08167	3.0
209.06082	4.8
209.08086	80.4
219.10133	8.7
220.82455	3.0
221.08078	4.4
247.09607	5.6
249.11223	24.8
257.08176	5.1
265.08286	3.7
265.10831	6.6
369.13370	6.6
389.15854	3.2
401.16058	17.9
419.16910	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	419.1702
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.61194	2.7
51.88324	2.5
55.01633	5.4
55.01876	50.1
55.11504	2.6
59.00315	2.6
65.03937	9.0
67.05502	8.2
69.03454	2.8
69.21528	24.3
69.21925	5.3
79.05482	8.8
81.07060	4.3
82.04169	6.6
85.02902	4.8
91.05478	6.4
93.03387	3.7
93.07055	5.4
95.04951	5.8
97.06506	3.8
103.05466	23.5
105.04515	3.2
105.07030	16.2
107.04971	18.0
110.03656	4.2
115.05460	10.5
117.02129	2.6
117.07143	4.1
118.04203	4.7
119.04912	3.2
121.06495	7.8
123.04440	9.5
124.05140	2.7
124.59824	2.6
125.05994	4.1
125.75050	2.9
129.07050	5.4
131.04935	26.8
131.08554	3.2
131.86191	2.9
133.06474	15.1
134.42603	2.7
137.05974	10.2
138.03149	5.0
140.04645	4.1
144.05696	6.5
145.06514	4.4
148.05194	12.9
149.05995	17.9
151.07695	3.0
153.05406	4.2
157.06523	3.5
159.08052	12.3
161.06026	14.2
163.07553	21.0
167.07048	69.5
168.07314	4.4
169.07599	4.8
169.10144	3.0
171.06572	6.4
173.05975	5.7
175.07591	3.1
177.05453	48.9
181.04955	100.0
181.08632	3.2
182.05492	4.5
183.06573	6.2
187.07542	7.4
190.06119	3.4
191.07022	74.8
191.08612	5.6
193.08594	7.7
205.08633	10.1
207.08167	3.0
209.06082	4.8
209.08086	80.4
219.10133	8.7
220.82455	3.0
221.08078	4.4
247.09607	5.6
249.11223	24.8
257.08176	5.1
265.08286	3.7
265.10831	6.6
369.13370	6.6
389.15854	3.2
401.16058	17.9
419.16910	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90510	2.6
53.03935	10.2
54.95213	3.0
55.01886	15.3
55.05502	4.4
57.03432	6.6
57.07076	22.0
59.04990	11.8
61.02910	3.2
63.41829	2.5
64.40849	2.6
66.76424	2.3
67.05511	17.2
68.99773	3.9
69.03432	45.2
69.07056	8.8
70.06586	4.9
71.04983	8.9
71.05670	6.2
73.02905	10.7
81.03422	41.6
81.07059	9.9
83.08605	3.1
85.02911	79.4
85.06549	13.1
86.09729	4.3
87.00821	31.9
93.07053	8.1
95.05009	3.5
95.08611	67.1
97.02888	23.5
97.06528	6.3
99.04467	18.1
99.08080	15.4
101.02340	3.0
101.24196	2.6
105.01877	21.2
107.04946	5.0
107.08589	16.8
109.02877	35.8
109.06512	9.8
109.10153	18.9
111.08091	8.1
113.08907	3.9
113.09650	63.7
115.03940	5.7
117.01846	5.9
120.08112	3.2
127.03918	66.3
127.11189	10.1
129.01817	5.4
135.11684	15.5
137.05940	5.1
137.13220	13.2
145.04961	25.7
147.02916	5.8
153.12749	100.0
155.14326	28.4
159.02876	21.3
167.07045	5.2
171.13855	20.4
181.04962	5.0
181.06546	3.1
209.08009	3.2
210.06944	3.0
211.07564	3.8
212.08380	8.3
213.03783	3.8
213.14850	3.1
223.15833	2.7
231.05029	14.8
240.07845	7.6
241.08629	4.2
245.06265	5.0
257.08066	6.5
273.05795	55.6
292.87698	2.8
310.55423	2.9
321.54263	3.1
419.19366	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	419.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88170	1.7
51.03919	1.7
53.03945	3.9
55.01879	4.6
55.05271	2.5
55.05515	32.6
57.03437	4.8
57.07090	11.5
60.40126	1.8
64.77184	1.8
65.03947	5.6
67.05508	31.9
69.03424	6.5
69.07069	50.0
69.84718	9.0
70.06596	3.6
71.04987	5.7
71.08642	4.2
77.97984	1.6
79.05495	24.4
79.80308	1.5
81.03419	6.0
81.07062	100.0
83.05002	9.5
83.08620	15.7
84.08147	2.3
85.02897	7.1
85.06556	12.1
91.05484	18.2
93.07048	39.9
95.04993	9.0
95.08613	84.7
96.08953	1.8
96.94466	1.8
97.02884	4.3
97.06543	5.7
97.10189	12.2
98.20802	2.0
99.08073	4.3
103.05492	5.3
105.04590	2.6
105.07040	27.2
107.04966	22.6
107.08601	43.1
108.05305	1.8
109.02877	5.7
109.06540	11.4
109.10164	43.2
111.08084	10.5
111.11718	5.7
117.07030	6.2
119.04953	2.1
119.08587	34.4
121.06514	6.4
121.10148	30.5
123.08080	36.4
123.11713	23.7
125.06017	3.3
125.09638	2.3
127.03934	3.7
128.06241	2.6
129.06993	5.4
130.07787	3.0
131.04912	6.8
131.08578	14.5
133.10143	23.8
135.08060	19.8
135.11687	18.5
137.05975	14.2
137.09618	7.1
137.13264	12.4
139.07527	7.9
141.06982	3.9
142.07831	4.2
143.08577	6.9
144.09332	3.4
145.06470	4.3
145.10138	17.4
147.08043	4.4
147.11684	17.7
149.09634	11.8
149.13260	18.3
151.03914	2.2
151.07585	3.3
151.11198	4.0
151.14841	4.6
155.08459	1.9
156.09326	3.1
157.10139	13.7
159.08142	4.4
159.11696	21.0
160.08871	2.0
161.06061	2.7
161.09647	11.6
161.13278	18.5
163.11205	9.2
163.14841	7.5
165.06923	2.0
165.09113	2.6
165.12801	6.3
167.07069	8.0
167.08473	2.1
168.07404	4.2
169.07620	3.2
169.10115	4.0
171.07982	2.9
171.11679	9.3
173.05920	2.8
173.09602	3.6
173.13290	10.4
175.11203	7.8
175.14833	4.0
177.12755	17.8
177.16360	3.4
179.08574	2.5
179.14348	4.7
181.04965	7.4
181.06459	3.3
182.07170	2.1
183.08099	2.0
183.11699	3.2
185.13220	4.2
187.07533	2.0
187.11212	4.8
187.14793	4.1
189.12743	26.1
189.16397	4.0
191.14282	8.5
191.17953	3.4
193.12277	2.3
193.15990	2.0
195.08072	2.8
195.11749	2.6
195.13846	2.5
197.06067	2.1
197.09619	8.2
197.13203	2.2
198.11340	4.3
199.07495	2.9
199.14862	3.0
203.14317	6.1
205.15862	4.8
207.13768	2.3
209.07890	2.5
210.06786	3.2
211.07533	5.1
211.14772	1.9
213.09064	3.1
213.16501	2.0
214.09515	3.1
215.14297	2.0
215.18030	2.5
216.12285	3.4
217.15924	3.5
219.06578	2.1
221.15250	1.9
225.09203	11.0
226.09888	21.6
227.07042	5.5
227.10567	2.3
229.15918	2.6
231.17496	2.3
237.09248	2.5
240.11420	3.0
241.08530	5.0
241.19504	3.4
242.09241	13.2
245.19020	4.8
247.20572	4.7
255.10196	2.5
256.10925	10.1
257.11646	77.5
257.19052	5.0
258.11877	3.7
259.20612	3.9
261.22321	2.3
269.11859	1.9
271.20856	2.4
273.21936	2.1
273.25894	2.4
282.08875	2.9
287.23831	3.2
291.26874	2.2
301.25311	2.6
312.15125	1.9
313.25247	2.3
319.26425	2.9
333.11273	3.0
345.26242	4.8
383.33066	28.5
386.07556	2.0
387.12430	2.3
389.15259	2.0
401.34244	34.4
411.93900	1.9
419.16263	11.6
419.24481	3.8
419.29974	7.1
419.35754	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	419.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88170	1.7
51.03919	1.7
53.03945	3.9
55.01879	4.6
55.05271	2.5
55.05515	32.6
57.03437	4.8
57.07090	11.5
60.40126	1.8
64.77184	1.8
65.03947	5.6
67.05508	31.9
69.03424	6.5
69.07069	50.0
69.84718	9.0
70.06596	3.6
71.04987	5.7
71.08642	4.2
77.97984	1.6
79.05495	24.4
79.80308	1.5
81.03419	6.0
81.07062	100.0
83.05002	9.5
83.08620	15.7
84.08147	2.3
85.02897	7.1
85.06556	12.1
91.05484	18.2
93.07048	39.9
95.04993	9.0
95.08613	84.7
96.08953	1.8
96.94466	1.8
97.02884	4.3
97.06543	5.7
97.10189	12.2
98.20802	2.0
99.08073	4.3
103.05492	5.3
105.04590	2.6
105.07040	27.2
107.04966	22.6
107.08601	43.1
108.05305	1.8
109.02877	5.7
109.06540	11.4
109.10164	43.2
111.08084	10.5
111.11718	5.7
117.07030	6.2
119.04953	2.1
119.08587	34.4
121.06514	6.4
121.10148	30.5
123.08080	36.4
123.11713	23.7
125.06017	3.3
125.09638	2.3
127.03934	3.7
128.06241	2.6
129.06993	5.4
130.07787	3.0
131.04912	6.8
131.08578	14.5
133.10143	23.8
135.08060	19.8
135.11687	18.5
137.05975	14.2
137.09618	7.1
137.13264	12.4
139.07527	7.9
141.06982	3.9
142.07831	4.2
143.08577	6.9
144.09332	3.4
145.06470	4.3
145.10138	17.4
147.08043	4.4
147.11684	17.7
149.09634	11.8
149.13260	18.3
151.03914	2.2
151.07585	3.3
151.11198	4.0
151.14841	4.6
155.08459	1.9
156.09326	3.1
157.10139	13.7
159.08142	4.4
159.11696	21.0
160.08871	2.0
161.06061	2.7
161.09647	11.6
161.13278	18.5
163.11205	9.2
163.14841	7.5
165.06923	2.0
165.09113	2.6
165.12801	6.3
167.07069	8.0
167.08473	2.1
168.07404	4.2
169.07620	3.2
169.10115	4.0
171.07982	2.9
171.11679	9.3
173.05920	2.8
173.09602	3.6
173.13290	10.4
175.11203	7.8
175.14833	4.0
177.12755	17.8
177.16360	3.4
179.08574	2.5
179.14348	4.7
181.04965	7.4
181.06459	3.3
182.07170	2.1
183.08099	2.0
183.11699	3.2
185.13220	4.2
187.07533	2.0
187.11212	4.8
187.14793	4.1
189.12743	26.1
189.16397	4.0
191.14282	8.5
191.17953	3.4
193.12277	2.3
193.15990	2.0
195.08072	2.8
195.11749	2.6
195.13846	2.5
197.06067	2.1
197.09619	8.2
197.13203	2.2
198.11340	4.3
199.07495	2.9
199.14862	3.0
203.14317	6.1
205.15862	4.8
207.13768	2.3
209.07890	2.5
210.06786	3.2
211.07533	5.1
211.14772	1.9
213.09064	3.1
213.16501	2.0
214.09515	3.1
215.14297	2.0
215.18030	2.5
216.12285	3.4
217.15924	3.5
219.06578	2.1
221.15250	1.9
225.09203	11.0
226.09888	21.6
227.07042	5.5
227.10567	2.3
229.15918	2.6
231.17496	2.3
237.09248	2.5
240.11420	3.0
241.08530	5.0
241.19504	3.4
242.09241	13.2
245.19020	4.8
247.20572	4.7
255.10196	2.5
256.10925	10.1
257.11646	77.5
257.19052	5.0
258.11877	3.7
259.20612	3.9
261.22321	2.3
269.11859	1.9
271.20856	2.4
273.21936	2.1
273.25894	2.4
282.08875	2.9
287.23831	3.2
291.26874	2.2
301.25311	2.6
312.15125	1.9
313.25247	2.3
319.26425	2.9
333.11273	3.0
345.26242	4.8
383.33066	28.5
386.07556	2.0
387.12430	2.3
389.15259	2.0
401.34244	34.4
411.93900	1.9
419.16263	11.6
419.24481	3.8
419.29974	7.1
419.35754	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	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19780	1.0
55.01882	1.4
55.05518	5.4
57.07080	19.3
59.04982	3.9
67.05482	4.5
69.07068	11.0
69.28989	1.1
69.29325	9.1
71.08639	13.4
78.71313	0.9
79.05501	7.7
81.07042	10.0
83.01331	0.9
83.04984	6.8
83.08631	5.6
85.10188	7.5
91.05486	5.0
93.07034	6.4
95.08617	6.6
97.06531	13.5
97.10143	3.7
99.04447	1.4
105.07018	3.8
107.04967	4.7
107.08612	6.6
109.06531	6.3
109.10121	4.4
111.04404	3.7
111.08047	1.2
111.11712	1.6
117.07088	1.2
119.08549	4.5
121.10140	5.2
123.08057	1.6
123.11729	2.1
125.05999	52.1
127.03896	4.8
131.08530	2.0
132.81380	1.0
133.10095	2.9
135.04396	1.8
135.08018	3.5
135.11646	3.1
137.05957	3.5
137.09526	1.3
139.03923	5.5
139.07436	1.2
141.05452	2.3
145.10149	2.6
147.11658	2.3
149.02368	1.0
149.09537	1.6
149.13220	2.9
151.07512	2.1
151.14766	1.3
153.05476	88.3
154.06169	1.4
157.10121	1.8
159.11668	3.4
161.13191	1.9
163.11192	1.6
163.14801	1.4
167.07019	2.7
167.10657	2.2
171.11705	1.1
173.13315	1.4
175.14748	1.4
177.12775	2.0
183.11574	2.2
183.24805	1.0
187.14835	1.0
191.10649	1.6
201.16197	1.2
251.04672	3.3
265.18021	1.2
277.90283	1.0
279.19498	1.4
293.21176	1.0
307.11044	1.3
335.25647	1.7
350.51328	1.0
363.16995	2.4
363.28979	1.1
373.34753	1.9
389.17572	2.6
401.33929	1.8
404.19894	1.6
419.22849	10.8
419.35083	100.0
420.35376	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05502	0.3
57.07064	1.0
65.88884	0.3
71.08652	0.7
71.49462	0.4
72.05022	0.3
79.05460	0.4
81.07030	0.8
85.10190	0.5
93.07036	0.4
95.08616	0.4
97.97676	0.3
99.00785	0.4
99.04465	3.9
109.10182	0.5
111.04424	2.7
119.08547	0.4
125.05058	0.7
125.05990	12.3
141.05458	4.9
149.02335	1.0
153.05470	100.0
154.05792	1.2
164.91739	0.3
167.07004	0.5
171.86888	0.3
251.04660	0.4
419.35196	29.6
420.35580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
60.33795	0.2
71.18024	0.6
72.08137	0.8
77.03915	0.3
79.05493	1.1
85.02898	0.3
95.04953	0.7
107.04961	100.0
108.05294	1.2
148.11026	0.3
166.34572	0.3
166.61365	0.3
259.52023	0.3
350.72336	0.3
352.75751	0.3
425.23837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.17214	0.8
67.05482	1.0
68.05878	0.8
70.93021	1.1
70.93346	1.6
74.90435	0.8
77.79562	0.7
79.05489	1.1
81.07073	1.1
85.49313	0.7
91.05499	2.0
93.07045	0.8
94.04211	1.9
95.04994	0.9
95.08601	1.3
103.05462	2.1
105.07005	1.5
107.04968	4.4
107.08578	0.9
109.06502	2.1
115.40921	0.7
121.06536	1.1
122.03653	2.4
123.04447	1.5
131.04942	5.3
135.11684	1.1
137.05984	44.5
138.06351	1.0
139.05281	0.7
146.03587	0.8
147.04414	2.2
151.03929	27.2
151.05043	2.5
151.07523	0.8
161.05933	1.1
163.07622	1.7
165.06964	1.0
177.05464	0.8
181.06506	2.2
194.07243	1.8
195.08052	2.6
196.05168	1.4
197.05983	3.4
205.06598	2.2
207.08095	2.0
210.06712	4.4
211.07610	2.1
212.08290	1.4
217.46536	0.9
221.06021	2.1
222.06776	7.1
223.07538	2.6
224.08296	1.6
225.05498	5.3
225.09064	5.6
233.05919	1.4
234.06795	4.2
235.07565	4.5
237.09125	42.4
238.09511	1.2
240.07785	5.7
241.08589	1.3
242.09435	1.4
247.07558	1.5
249.05519	1.1
249.09134	1.0
250.06239	2.9
251.06984	3.7
253.08559	8.5
255.10226	3.6
263.07034	2.5
264.07700	1.3
265.08606	18.9
266.09222	1.6
268.10995	1.7
269.09613	1.2
271.11279	1.4
277.08478	1.3
278.09283	2.0
279.10208	1.0
281.09653	2.3
285.09210	1.6
297.09128	1.6
298.09949	1.6
299.10626	3.1
301.08725	1.7
309.09293	1.2
310.09677	1.3
311.10614	2.3
313.08627	2.5
315.10190	2.6
316.10779	1.6
325.08545	1.2
326.09415	2.2
327.10147	7.2
328.11127	1.9
329.11716	2.4
331.09647	1.0
338.09427	1.9
339.10153	2.7
340.11032	1.7
341.11719	2.1
343.09631	4.5
344.10376	3.2
353.11703	3.2
354.08829	3.1
354.12646	2.2
355.09589	3.7
356.10297	3.9
357.11374	2.0
358.12067	8.4
359.12820	4.4
361.14395	5.9
369.11267	4.1
370.11981	4.8
371.09119	1.2
371.12924	10.7
372.09814	1.4
373.10574	1.3
374.11533	3.3
385.14380	4.8
386.11511	2.6
387.12360	10.6
389.13879	25.3
390.14597	13.4
401.13727	9.0
402.14590	100.0
403.14996	4.6
420.15695	28.6
421.16156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19056	0.3
54.91027	0.3
55.01867	0.6
55.05487	0.8
57.07072	0.3
59.04984	0.4
59.86304	0.3
65.03931	0.5
67.05479	0.7
69.03417	0.7
69.07040	0.5
70.06593	0.3
71.48567	0.4
78.04696	0.5
79.05480	0.4
81.07082	1.6
83.04995	0.3
83.08604	0.5
91.05453	1.0
93.03386	1.4
93.07014	0.7
94.04123	0.4
95.04980	0.8
95.08579	1.1
105.07001	0.5
106.04144	0.6
107.04923	1.0
107.08605	0.5
108.71043	0.4
109.10120	0.7
110.10446	0.3
111.04408	0.6
116.83681	0.3
119.04919	0.8
122.03663	0.6
123.03696	0.4
123.04440	3.6
123.08023	0.5
125.05971	1.3
131.04929	0.8
133.05199	0.5
137.05984	10.0
137.11273	0.4
138.06812	7.9
147.04448	2.8
148.04791	0.4
151.03860	0.5
152.06169	0.8
153.05464	2.1
153.06760	0.5
155.08472	0.3
163.06314	0.7
165.06935	1.0
166.06265	1.9
166.07782	1.0
167.08612	2.1
169.06509	0.8
171.08006	0.8
177.06924	2.3
179.07091	0.5
181.06468	2.0
181.10175	0.4
183.08058	0.7
184.08636	0.8
185.09651	0.4
191.08594	0.6
194.07262	1.1
195.08070	11.9
196.08873	4.0
197.05994	3.2
197.09674	1.9
199.11197	1.3
205.06436	0.6
207.08037	1.0
209.06050	0.5
209.09633	2.4
210.06772	0.8
211.07521	3.4
212.08336	15.4
213.08800	0.7
220.13838	0.4
221.06148	0.4
222.06815	1.5
223.07571	6.1
224.08229	2.9
225.05484	2.0
225.09113	1.3
226.09789	0.8
227.07077	0.7
227.10701	4.5
234.06902	0.4
235.07532	0.3
236.08223	0.4
237.09140	5.4
238.09711	0.3
239.07001	1.0
239.10654	0.6
240.07828	11.4
241.08379	1.0
242.09412	1.4
251.07072	0.9
253.08641	1.4
254.09384	4.2
255.10184	100.0
256.10532	4.1
265.08652	1.4
266.09528	0.4
267.10120	1.0
268.10950	2.7
282.08902	13.9
283.09674	6.2
296.10126	0.5
319.60339	0.4
347.98160	0.4
402.14639	2.4
420.15735	22.4
420.24619	0.6
421.15964	1.0
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
51.02380	0.4
51.21212	0.3
52.14696	0.3
53.03947	0.8
69.76669	1.1
69.77080	0.7
77.03903	0.3
79.05489	1.1
95.04975	0.7
107.04959	100.0
108.05312	1.1
142.08646	0.4
237.75258	0.3
348.42444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19663	1.4
53.03938	5.2
55.01868	3.8
55.05512	3.2
57.03436	2.7
57.07064	2.9
61.02929	2.7
67.05177	1.4
67.05505	9.4
68.99785	2.4
69.03438	21.1
69.07068	10.6
70.03746	1.6
70.04078	5.6
70.06596	4.2
71.04972	3.6
73.02908	3.3
79.05492	10.1
81.03429	16.7
81.07060	100.0
82.07389	1.6
83.04974	1.6
83.08607	3.1
85.02910	44.9
87.00839	15.2
87.04475	1.6
87.34711	1.5
91.05494	3.5
93.07053	5.5
95.08615	28.5
97.02901	14.6
97.06570	1.6
99.04465	6.6
103.05447	2.3
105.01878	17.6
105.07011	3.8
107.04964	8.0
107.08601	4.2
109.02888	11.9
109.06505	2.2
109.10167	2.8
111.08130	2.7
115.03912	1.9
117.01877	1.6
119.08607	3.4
121.06490	1.9
123.11678	1.8
127.03925	33.9
127.99878	1.3
128.06218	1.7
129.58992	1.3
131.04929	3.8
131.08598	2.5
133.10191	2.1
137.05995	4.8
137.13263	21.0
143.08598	1.5
145.04967	16.4
145.10141	2.1
147.02892	2.5
147.08090	1.9
153.09148	1.7
155.14401	2.2
159.02919	8.7
159.11708	1.7
165.09135	1.9
179.14301	1.3
181.71489	1.9
195.10164	2.8
213.03998	1.9
222.27382	1.5
231.04994	6.8
249.05937	1.8
249.53809	1.4
262.22189	1.5
339.67609	1.3
363.64529	1.6
402.14334	1.5
420.15182	2.8
420.31061	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01865	5.3
55.05501	3.4
57.03425	1.4
57.07075	3.1
57.60955	1.3
57.93180	1.1
61.02910	2.3
67.05510	8.7
69.03430	18.6
69.07072	8.2
69.41588	1.2
69.79925	3.8
69.80324	2.2
70.06583	3.1
71.04984	2.1
73.02914	2.9
78.65504	1.2
79.05482	9.5
81.03422	11.0
81.07057	100.0
82.07407	1.6
83.08594	2.4
84.08157	1.4
85.02908	41.0
85.06528	2.5
87.00835	13.1
91.05456	2.2
93.07030	5.5
95.04987	2.4
95.08607	26.4
96.08934	1.4
97.02896	17.9
97.06524	2.1
99.04461	4.7
105.01873	19.1
105.07024	4.3
107.04973	8.2
107.08575	4.1
108.04450	1.2
109.02878	13.5
109.06462	2.1
109.10152	3.1
111.08046	1.3
112.67580	1.4
119.08564	3.3
121.10132	2.3
126.05507	2.4
127.03923	27.2
129.01875	1.8
131.04919	3.5
131.08553	1.7
131.68829	1.2
135.08072	2.1
135.11656	2.4
135.54865	1.2
137.06007	2.5
137.13266	23.0
145.04951	14.7
145.10001	1.4
147.11690	1.4
149.02258	1.4
153.12822	2.2
155.14270	3.1
159.02887	8.0
165.09116	1.6
166.07539	1.3
176.29607	1.4
177.09032	1.6
189.04033	1.7
195.10103	2.3
213.03941	1.5
231.05026	8.1
237.89264	1.3
249.05872	1.6
258.11185	1.7
346.27332	1.9
420.14993	1.7
420.31110	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	421.1493
Annotation	Rhaponticin
Peak:m/z	Relative Intensity
53.03938	1.4
55.01863	2.1
55.05487	0.6
56.18658	0.5
57.03429	2.1
61.02934	4.0
65.26082	0.5
67.05493	0.9
69.03086	0.7
69.03433	11.4
71.01369	0.7
71.04980	1.4
71.14966	1.0
73.02907	2.4
81.03432	3.3
81.07063	0.8
85.02906	29.7
87.04453	1.8
91.03957	0.6
91.05487	0.8
97.02891	5.8
99.04452	2.1
101.02376	0.6
103.03928	1.4
105.07056	0.9
107.04939	1.5
109.02857	2.9
115.03930	0.7
123.04429	0.9
127.03886	4.7
129.06989	1.1
131.04977	0.5
137.05980	1.4
145.04965	1.9
145.06456	0.5
151.03920	0.8
152.06200	0.8
153.06992	3.5
155.08559	1.1
157.06528	1.2
165.05748	0.5
165.06998	3.0
167.07074	0.8
167.08540	0.8
170.07214	2.5
171.08038	2.8
180.05693	0.6
181.06485	7.0
182.07259	3.3
183.06581	1.2
183.08043	4.4
184.05251	0.9
185.09610	3.1
189.10791	0.5
195.07974	2.7
196.08952	0.5
197.05951	0.7
198.06776	4.6
199.07532	11.3
205.83890	0.5
209.05983	1.2
210.06770	1.7
211.07481	1.8
212.88123	0.5
213.09109	31.5
214.09598	0.6
223.07552	1.3
224.08340	0.8
226.06277	3.6
227.04771	0.8
227.07022	16.4
228.07776	0.7
231.10124	1.2
237.09084	1.7
239.07071	1.2
241.08600	46.0
242.09332	6.3
243.10088	1.1
244.07336	1.3
255.10117	1.5
257.08069	1.9
259.09659	100.0
260.09998	1.4
271.09650	0.7
283.09634	5.4
295.09796	0.6
301.10779	2.6
307.09641	0.6
325.10739	1.3
421.14896	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	Rhaponticin
Peak:m/z	Relative Intensity
53.03929	1.2
57.03432	3.3
61.02919	3.2
69.03436	10.6
69.81415	5.0
70.06586	3.5
71.04984	1.1
72.08137	1.2
73.02909	1.5
81.03408	4.5
85.02910	26.5
86.09697	2.3
87.04470	2.3
91.53690	0.9
95.04949	1.3
97.02885	6.2
98.21464	1.0
99.04465	1.8
103.03918	1.3
107.04950	2.7
109.02885	3.8
120.08060	2.4
121.10212	1.2
127.03962	5.5
127.15691	1.0
129.10315	0.9
133.10164	1.8
134.10442	1.6
137.05931	2.9
145.04944	1.9
145.10097	1.5
152.06117	1.3
153.06937	3.5
155.08662	1.0
157.06470	1.1
165.06992	3.2
170.07321	1.4
171.08098	2.2
181.06491	7.9
181.40460	1.1
182.07338	1.6
183.08099	5.3
184.05196	1.2
185.09633	3.2
185.11163	1.3
195.08014	2.9
198.06764	5.6
199.07559	10.4
209.05992	3.5
211.07585	2.5
213.09114	28.8
213.12314	1.2
226.06265	2.4
227.07037	20.9
237.09123	1.3
241.08603	44.7
241.15739	1.7
242.09390	7.6
244.07300	1.6
244.09543	2.2
257.08060	2.4
259.09671	100.0
260.09937	1.9
271.09924	1.4
283.09726	3.9
301.10751	3.1
325.10837	1.4
392.41830	1.1
421.14880	13.4
422.15475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1494
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.20243	0.6
51.84421	0.6
55.01877	1.0
63.53654	0.7
69.03420	0.8
69.07068	1.2
70.06599	6.9
70.16719	0.6
71.09696	0.7
71.10022	1.0
75.92815	0.8
78.60266	0.7
78.61990	0.7
78.83976	0.8
79.05476	0.9
81.03415	0.9
85.02914	2.0
86.09695	3.0
89.31038	0.7
91.05450	1.0
98.13983	0.7
105.07034	0.9
107.04950	6.4
109.06481	1.0
111.04428	1.5
119.04921	0.9
120.08102	1.3
123.04393	1.0
125.05998	1.1
127.03890	1.6
128.06221	1.2
131.04930	1.2
133.06467	1.3
137.06032	3.7
143.08542	1.0
145.06433	1.0
147.04411	2.4
153.07016	1.2
155.08553	1.7
157.06471	7.5
159.08012	1.4
165.06996	1.7
167.07054	2.7
170.07312	1.4
171.08054	7.3
181.06447	6.9
182.07230	1.4
183.06523	3.4
183.08029	1.4
184.05185	1.1
185.05984	10.0
185.09566	2.1
189.09059	1.2
193.08617	0.9
198.06972	1.5
199.07562	14.9
200.08255	1.2
203.10725	2.2
209.06023	2.2
210.06744	2.3
213.09132	6.2
215.10693	3.5
216.37862	0.7
217.08601	16.1
226.06247	1.1
227.06946	1.7
231.10132	9.0
239.36708	0.7
241.08612	13.2
241.15958	1.1
259.09668	100.0
260.10001	1.9
287.05954	1.2
421.05450	2.8
421.11771	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	421.1496
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03932	1.4
54.25416	0.8
56.27068	0.8
63.41090	0.8
65.03926	3.0
65.27348	0.8
68.99784	1.6
69.03439	7.0
69.07049	1.3
70.06602	1.1
71.47723	1.2
74.06045	1.0
79.05478	2.5
81.03398	2.8
81.07041	1.6
85.02903	5.2
86.09717	9.1
91.05484	94.5
93.07015	1.3
93.71688	0.7
94.35722	0.9
95.08614	1.7
97.02907	6.0
97.06564	1.1
99.04472	0.8
103.05456	1.9
105.07034	100.0
106.07372	1.2
107.04948	3.1
107.08580	1.9
109.02876	2.7
109.06556	1.1
111.00810	1.9
115.05450	2.7
119.08548	2.1
119.38685	0.8
120.08099	3.6
121.10143	2.6
123.04427	2.0
127.03927	10.8
129.07014	1.0
131.08551	3.0
133.06494	20.9
133.10144	1.6
135.08044	1.7
135.11682	1.2
137.05984	4.6
139.03879	2.8
147.11679	2.0
148.07599	1.9
149.09639	2.4
149.13254	1.3
150.09175	1.0
151.03975	1.3
153.01825	2.6
155.03351	3.5
157.06500	2.1
161.60185	0.8
163.03912	1.8
167.07144	1.5
173.13272	2.0
174.05447	2.0
175.05879	1.0
176.07080	1.3
183.06667	1.8
183.72449	0.7
191.14281	11.1
191.15854	0.9
195.08047	0.9
199.07584	1.3
200.11267	0.9
209.15378	1.7
211.07446	1.0
212.08536	1.1
213.09109	2.8
214.08504	1.2
227.07013	1.7
241.08646	7.3
243.10153	4.5
244.09598	7.2
255.10181	2.0
259.09659	69.1
260.09985	2.1
279.17038	0.9
280.11740	3.3
283.09567	1.6
283.94000	0.9
288.56192	1.0
301.10751	1.2
325.10779	1.2
339.50232	0.9
378.07382	0.8
378.15378	1.3
379.15967	1.4
421.05441	1.7
421.14603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78605	0.4
53.03928	0.4
55.01632	0.6
55.01876	7.0
56.05017	0.5
57.03442	0.8
60.04536	0.5
61.02911	0.9
68.99785	0.6
69.03157	0.3
69.03442	3.8
69.67760	2.3
70.06592	5.5
70.76950	0.5
72.08168	2.2
72.08495	0.4
73.02905	0.4
74.06057	0.6
76.35741	0.5
81.03423	2.0
82.69001	0.4
84.04501	0.7
84.08139	1.2
84.46639	0.4
85.02912	13.0
86.09698	1.8
95.04984	0.4
96.01830	0.4
97.02902	3.2
98.03706	0.5
98.20809	0.8
99.04442	1.0
103.03931	0.8
107.04957	4.1
108.05270	1.1
108.95841	0.4
109.02860	1.3
115.05483	0.6
116.07097	1.4
120.08131	0.9
123.00831	0.5
124.03222	0.5
127.03941	2.7
127.08705	0.5
128.06206	1.0
128.78253	0.4
129.07013	0.7
129.10228	0.6
136.07579	0.5
137.05989	0.5
141.01840	0.7
143.08571	0.9
144.05727	0.5
145.04930	1.5
145.35449	0.4
146.03815	0.4
152.06172	1.0
153.06987	3.8
157.06506	13.5
157.07748	1.1
165.01852	3.8
165.03149	0.6
165.06969	0.8
165.36327	0.4
169.06508	3.8
171.04413	0.7
171.08060	4.5
179.03413	1.1
181.06496	28.5
182.07048	0.8
183.02921	3.1
184.05180	0.8
184.59297	0.5
185.05901	1.0
193.01306	0.7
198.06723	0.5
199.07559	24.1
200.07959	0.4
207.02908	12.4
209.05951	6.9
210.06660	0.6
211.02295	0.9
213.05495	0.9
213.12357	0.9
217.04884	0.7
223.02251	0.5
227.07045	100.0
228.07367	1.1
231.10651	0.4
241.08586	1.2
245.04489	1.3
249.03960	0.6
250.33560	0.4
251.07173	0.5
259.09668	22.9
264.28110	0.5
273.03836	0.5
277.88406	0.5
285.12613	0.5
287.05576	1.7
291.05032	0.8
301.07101	4.1
327.07062	2.2
342.60556	0.5
421.15860	1.9
448.95609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
54.35670	0.8
55.01875	1.1
57.03416	1.3
57.79558	0.8
64.08190	0.7
69.03433	7.0
69.77151	0.7
70.06583	4.0
71.04975	0.9
71.48594	1.4
72.08149	3.2
73.02904	1.4
77.47437	0.7
79.05478	1.1
81.03412	2.7
81.07048	1.5
84.08157	1.5
85.02913	14.2
86.09698	1.7
91.05469	1.6
93.07060	1.2
94.04206	1.2
95.08589	0.8
97.02909	4.1
99.04485	1.2
103.03913	1.0
105.07032	1.2
107.04961	3.4
107.08604	1.4
109.06530	1.2
116.07122	0.9
119.08588	1.6
120.08134	3.5
121.06518	1.4
121.29667	0.9
122.03648	1.2
122.06016	1.0
127.03928	3.4
131.08510	1.4
133.10072	1.2
135.08092	1.0
135.09099	0.9
137.05975	19.0
142.07756	0.8
145.04944	1.8
147.04399	1.3
147.11688	1.1
150.58032	1.0
151.03902	1.4
153.07024	1.1
157.06570	1.1
157.10231	1.1
165.07018	1.8
171.07924	4.0
172.05046	2.2
172.08740	6.4
173.09477	2.4
173.13226	3.7
181.06473	5.0
182.07283	1.6
183.08057	2.4
185.09662	1.6
186.10248	1.3
187.07404	10.1
191.14326	1.7
195.08000	1.1
198.06693	3.7
199.07425	13.9
200.08069	1.8
201.12755	5.9
213.09091	9.9
214.09761	0.9
216.07716	4.4
216.10094	4.8
223.10805	0.9
226.06192	1.9
227.07057	6.2
229.07205	1.2
241.08603	17.4
241.15855	3.7
242.09343	1.9
243.08784	59.4
244.09560	100.0
245.10010	2.8
253.08685	1.2
257.10327	2.4
258.09109	0.8
259.06052	1.8
259.09656	35.5
259.13773	1.9
265.08517	1.7
271.09714	1.6
279.80161	0.9
283.09702	2.0
361.14258	1.5
362.13501	2.2
378.15356	42.8
379.16116	41.9
421.17270	11.7
421.23740	1.5
443.97699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05518	8.3
56.05038	8.8
56.22007	0.6
56.96581	0.7
57.05824	1.5
57.07093	0.8
60.04253	0.6
60.04519	3.4
61.01147	7.1
67.05489	0.8
68.05030	9.5
69.03436	1.8
70.06595	11.3
71.47805	1.1
72.08159	100.0
74.06086	7.2
81.03439	0.9
84.04507	3.7
84.08136	2.4
84.86573	0.8
85.02908	2.5
86.09715	4.0
91.05484	0.8
96.04500	3.2
97.37972	0.8
98.06066	1.7
98.97609	0.9
104.05322	3.3
105.07060	0.9
107.04958	19.5
107.05631	1.3
108.05298	6.9
110.07182	0.9
113.07135	60.2
114.05523	0.9
116.07107	4.7
120.08137	1.6
122.07179	3.2
125.07133	0.8
127.03971	1.4
130.06506	1.0
132.10228	1.8
134.04504	1.3
137.05968	1.0
139.09842	0.9
141.06589	1.4
143.08235	0.8
157.06488	1.3
158.10019	1.5
161.07458	16.7
161.08929	1.1
161.09216	0.8
164.07091	2.5
171.07741	2.9
181.06493	4.3
181.09778	1.1
185.09256	0.8
189.06944	28.2
199.07640	2.6
203.12202	0.8
209.09274	0.9
213.12347	5.6
215.14030	2.4
227.07007	15.5
233.11336	28.3
233.14784	4.6
243.11748	3.0
251.09647	1.4
259.06207	2.5
259.09344	3.3
269.10931	0.9
272.12546	1.4
288.13889	3.0
297.10852	1.4
298.07947	0.7
315.11554	3.1
341.34290	0.7
385.20874	1.6
421.11093	1.2
421.16098	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	421.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01859	0.7
55.05503	1.9
57.03445	0.8
57.07063	0.7
63.57327	0.4
65.03932	1.2
67.05510	4.2
68.51810	0.4
68.99799	0.7
69.03432	7.3
69.07075	2.3
69.78428	2.5
70.06593	0.8
71.04995	1.0
74.57222	0.4
77.03922	0.6
79.05499	6.6
81.03413	2.9
81.07056	5.4
83.04977	3.0
85.02901	1.9
87.00823	2.9
90.03273	0.4
91.05480	8.5
93.07056	4.2
95.04966	2.0
95.08618	2.0
97.02898	3.1
97.06532	0.9
99.04452	1.3
103.05511	0.9
105.01889	0.4
105.04530	0.5
105.07043	10.7
107.04955	5.7
107.08601	20.9
109.02887	4.6
109.06522	2.5
109.09471	0.7
109.10168	7.8
111.04497	0.5
115.05453	1.8
117.07015	2.5
118.07814	0.5
118.75559	0.4
119.04916	0.6
119.06049	0.6
119.08578	4.7
121.06532	2.5
121.10146	12.7
121.11021	0.8
122.07297	6.3
123.08067	1.6
123.11720	0.5
127.03925	14.8
129.06967	0.5
131.08559	3.8
131.53337	0.5
133.10135	100.0
134.10449	2.1
135.07126	0.7
135.08061	9.0
135.11713	1.1
136.07416	0.4
137.06068	1.0
137.09622	57.8
138.09990	0.8
143.08571	1.0
144.09406	0.5
145.04974	1.3
145.10153	1.8
147.08073	1.2
147.11693	2.5
149.09636	3.2
149.13263	8.3
151.07509	0.5
151.11163	0.6
157.10045	0.4
158.10936	1.6
159.11708	0.5
161.09691	0.7
163.14844	1.6
167.85579	0.4
169.04971	0.6
171.11710	0.6
173.13283	6.4
179.07005	0.7
181.08751	0.7
185.09602	0.7
191.14314	46.3
192.14693	1.1
213.03917	3.1
231.05061	1.9
241.08699	0.8
252.88335	0.5
259.09555	1.6
276.21896	0.4
281.15363	0.5
299.16522	0.6
317.17462	0.9
335.18503	1.1
403.17499	0.8
421.18329	1.3
441.85928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.36942	2.5
53.03939	10.6
54.67770	2.3
55.01871	13.7
55.05270	3.1
55.05514	33.7
57.03442	12.6
57.07076	5.9
61.02928	4.2
65.03932	6.5
67.05505	57.7
69.03439	27.5
69.07070	31.8
71.04994	12.7
73.02905	6.9
79.05499	67.1
81.03425	28.8
81.07057	64.2
83.04967	9.2
83.05428	2.7
83.08622	18.8
85.02911	16.9
85.06544	7.0
91.05484	100.0
93.07047	96.2
95.04974	12.2
95.08616	49.4
97.02898	72.0
97.06522	7.1
97.10161	9.5
99.04467	18.0
101.02425	3.2
103.03941	3.3
103.05460	5.0
105.04559	2.6
105.07036	98.5
105.13363	2.7
107.04971	12.9
107.08600	48.5
109.02884	13.3
109.06507	10.7
109.10152	21.7
111.04382	6.0
111.08079	14.9
115.03931	4.2
115.05438	7.2
117.07021	44.5
119.08589	73.5
121.06529	7.1
121.10149	39.9
123.08065	5.6
123.11682	4.3
125.06071	2.7
125.09588	4.1
127.03897	18.1
128.06178	4.6
129.05495	3.3
129.07031	24.3
131.04900	5.6
131.08568	49.5
133.06465	5.6
133.10144	61.4
135.08054	11.2
135.11697	32.3
137.05933	8.2
137.09625	3.2
139.07542	8.6
141.06982	9.8
142.07788	6.5
143.08603	19.5
145.04945	6.0
145.06465	6.2
145.10139	46.7
147.04428	3.4
147.08076	4.8
147.11710	39.5
149.09621	3.7
149.13258	9.6
151.11169	5.5
153.06952	4.2
153.09094	6.2
155.08582	10.6
157.10121	21.3
159.08035	3.7
159.11707	33.4
161.09595	5.5
161.13258	26.2
163.07542	3.5
163.11177	4.3
165.07062	4.2
167.08510	4.8
167.10637	3.3
169.06461	2.9
169.10123	10.7
171.08049	6.5
171.11684	26.5
173.09653	5.8
173.13191	23.0
173.39047	2.9
175.11130	4.6
175.14813	9.7
181.06476	4.8
181.10147	5.4
181.12241	4.0
183.08015	5.8
183.11694	8.6
185.09637	4.2
185.13290	16.6
187.11232	5.6
187.14830	8.3
189.12643	3.9
195.07898	2.8
195.11713	7.9
195.13739	6.4
197.13278	8.1
199.07664	4.5
199.11131	6.4
199.13037	3.2
199.14862	9.2
201.12755	6.2
201.16418	3.2
203.10541	2.8
209.13205	5.9
211.11113	3.9
211.14862	3.5
213.12805	3.0
213.16309	4.8
221.15364	3.4
223.14842	5.2
231.17668	2.7
231.21075	3.2
239.17911	3.7
241.19562	16.0
255.10085	3.7
257.18994	10.5
259.20569	52.8
271.20563	6.6
275.20087	10.4
277.21594	9.3
285.22134	3.8
287.20084	4.4
289.21616	5.0
301.21616	20.6
311.20035	3.4
313.21561	10.3
325.21899	4.5
329.21182	4.4
331.22714	5.8
337.21545	3.3
339.23187	7.4
343.22836	3.8
349.21353	7.1
355.22583	4.5
357.24213	6.1
367.22668	20.1
385.23764	33.4
403.19400	5.2
403.24731	40.4
403.35699	41.4
421.15173	3.1
421.20352	8.3
421.25653	60.1
421.34885	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70568	2.7
53.03941	6.5
55.01865	6.8
55.05512	33.8
57.03433	7.3
57.07090	13.5
67.05507	63.7
69.03434	19.0
69.07072	32.2
71.01328	3.3
71.05009	5.5
71.08633	3.7
73.02919	6.6
79.05499	52.6
81.03430	18.7
81.07058	50.6
83.04971	6.2
83.08626	17.1
84.76600	2.7
85.02896	8.8
85.06551	6.3
85.10231	2.5
89.06020	9.9
91.05484	75.6
93.07045	100.0
95.04980	11.0
95.08614	62.6
97.02894	10.7
97.06527	7.5
97.10178	8.2
98.20800	7.6
99.04430	4.6
105.07036	74.0
107.04940	6.5
107.08600	38.7
109.06522	8.1
109.10171	20.4
111.04441	3.5
111.07420	3.4
111.08083	22.3
111.11702	3.4
115.05457	6.8
117.07031	39.2
119.08590	60.2
121.06509	13.1
121.10168	27.1
123.08096	3.8
123.11738	7.0
125.09665	6.4
127.07545	4.5
128.06209	5.2
129.07014	23.7
131.08575	43.3
133.06519	6.1
133.08583	4.4
133.10138	46.5
135.08099	7.4
135.11700	19.2
137.13229	2.8
139.07539	20.7
141.06969	7.8
142.07762	5.0
143.08553	22.4
144.09258	3.0
145.06493	5.3
145.10135	45.1
147.08087	5.8
147.11700	30.1
149.09706	4.8
149.13258	9.1
151.07649	2.7
153.09088	11.0
155.08536	10.1
157.10175	21.8
159.08017	4.9
159.11716	40.8
161.09650	4.1
161.13264	23.2
163.14929	3.7
167.08531	4.1
167.10695	7.8
169.10150	9.4
171.11679	22.0
173.09636	5.2
173.13263	24.5
175.11288	4.3
175.14861	7.0
181.10165	5.4
181.12274	7.8
183.11693	8.3
185.13319	16.4
187.11217	4.0
187.14758	6.3
189.12781	4.9
195.11740	4.3
195.13747	7.4
197.13287	6.7
199.14839	7.0
209.13272	6.0
209.15372	4.5
211.11180	3.2
213.12822	4.3
213.16376	4.9
229.19633	4.5
231.21112	4.8
239.14723	4.1
239.17976	3.8
241.19528	7.8
243.21036	3.2
257.19034	12.5
259.20605	32.9
265.21786	3.1
271.20590	10.0
273.22153	8.8
275.20074	5.6
287.20438	3.0
301.21649	22.2
313.21603	8.9
319.22476	3.2
329.21054	3.5
339.23126	5.2
349.21252	5.5
361.23633	4.0
367.22659	25.2
385.23767	29.0
403.24786	34.9
403.30261	3.1
403.31210	3.2
403.35773	28.1
421.25864	53.1
421.36798	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10952	4.1
53.03941	5.3
55.01864	6.8
55.05511	36.4
57.03425	6.2
57.07098	19.8
59.07937	3.6
61.88824	4.1
65.03928	6.4
67.05510	73.4
69.03432	25.2
69.07067	41.8
71.04978	6.0
71.08620	8.6
73.02887	5.0
79.05499	70.3
81.03412	22.2
81.07062	100.0
83.04993	10.4
83.08617	17.4
85.02910	13.0
89.06033	36.9
91.05486	85.1
92.13948	4.0
93.07043	89.6
93.50739	4.2
95.04436	5.0
95.04996	13.7
95.08613	86.8
97.02895	10.4
97.06532	5.3
97.10192	7.7
98.20749	11.8
99.04445	7.7
105.07034	95.8
107.04974	8.7
107.08595	52.1
109.02902	5.5
109.06519	8.7
109.10163	39.8
111.04427	5.9
115.05459	5.1
117.07027	38.1
119.08590	93.8
121.06556	8.5
121.10146	45.3
123.11736	26.1
127.03932	6.3
128.06172	6.8
129.07002	24.6
130.53558	4.4
131.08569	59.9
133.08630	19.2
133.10095	60.3
135.08055	8.6
135.11694	33.9
137.09563	4.8
137.13268	6.3
141.07019	9.0
142.07777	7.2
143.08560	30.1
145.10152	49.7
147.08090	4.9
147.11694	50.3
149.09648	8.3
149.13295	21.8
155.08534	7.3
157.10112	29.6
159.11700	56.2
161.09584	10.1
161.13234	27.5
163.14807	10.4
167.08563	6.3
169.10144	17.6
171.08073	6.2
171.11699	29.1
173.09566	4.8
173.13301	27.9
175.11058	4.3
175.14810	16.4
177.16451	5.3
181.10127	6.4
183.11685	12.7
185.13211	22.0
187.11130	6.7
187.14806	18.3
189.16368	13.0
191.17836	7.4
197.13286	11.8
199.14812	15.6
201.12694	6.6
201.16396	9.7
203.14258	5.4
203.17941	6.9
209.13275	6.2
211.14856	9.1
213.16368	14.3
215.17946	11.0
217.19420	8.3
227.17905	5.4
229.19476	10.1
231.21091	4.8
239.14767	8.1
239.17896	6.9
241.15854	5.8
241.19487	12.4
243.21179	7.0
255.21117	4.7
257.19003	11.7
259.20596	33.8
271.20547	11.2
275.20126	6.9
283.24615	4.3
289.21484	4.2
301.21661	18.8
313.21860	9.7
315.23196	4.1
325.21576	5.0
343.22678	4.7
349.21606	9.0
367.22598	24.7
385.23755	26.9
400.46350	4.7
403.24854	37.6
421.25861	48.7
421.34283	15.1
421.39182	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
55.05510	9.5
57.03440	9.6
57.07076	35.3
58.82685	0.9
67.05502	12.5
69.03439	1.1
69.07076	12.2
70.19320	2.6
71.04998	1.2
79.05495	9.5
81.07055	24.3
83.04966	3.1
83.08599	5.0
85.06551	15.2
86.43323	0.8
88.07653	1.0
91.05481	7.6
93.07047	10.5
95.04963	1.2
95.08613	13.7
97.06529	3.8
97.10142	1.9
105.07027	7.5
107.08588	15.7
109.06522	15.6
109.10172	7.3
111.04449	3.4
111.08075	3.3
117.07043	1.6
119.08573	7.9
121.06550	1.2
121.10143	7.7
123.08083	8.8
123.11710	2.2
125.05985	3.0
125.09626	1.0
131.08586	2.4
133.10115	5.9
135.08055	16.0
135.11717	5.5
137.05975	20.7
137.09604	2.8
137.13287	1.2
139.07552	1.8
143.08649	1.9
145.10141	4.0
147.08095	1.4
147.11649	5.0
149.09647	4.4
149.13255	3.4
151.07556	7.3
151.11188	2.8
151.14806	1.1
153.12706	2.4
157.10052	1.5
159.11691	2.5
161.09669	3.1
161.13246	2.3
163.11201	2.0
163.14897	1.0
165.09050	1.3
165.12747	7.2
171.11745	1.6
173.13188	0.9
175.11282	2.0
177.12762	6.6
179.10728	1.3
179.14287	4.8
185.13240	0.9
189.12735	1.1
191.14290	2.7
193.12227	3.4
195.13763	1.0
207.13814	7.8
231.17403	1.1
233.19009	2.4
249.18579	1.1
263.20081	4.6
271.79764	0.8
277.18167	2.3
277.21548	1.0
291.19739	1.1
301.25424	1.4
305.24631	1.4
319.22812	1.4
319.26270	9.4
329.24606	4.0
337.27301	5.1
347.25815	100.0
348.26233	1.7
365.26874	18.5
393.30057	11.1
403.28467	3.4
421.29489	60.2
421.78384	0.9
422.29465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01865	7.5
55.05513	18.3
57.03436	10.8
57.07072	10.8
61.41659	1.8
67.05505	26.2
69.07069	31.2
69.82523	3.6
69.82924	6.6
71.04984	7.0
71.08634	3.3
79.05491	23.5
81.07056	36.5
83.04990	5.3
83.08620	6.8
85.06541	9.9
91.05485	13.4
93.07047	31.6
95.04980	5.1
95.08610	32.7
97.06533	13.6
98.21494	3.4
105.07011	14.6
107.04917	3.1
107.08592	33.0
109.06528	21.2
109.10153	10.9
111.04450	5.7
111.08095	6.5
117.07027	5.2
119.08577	14.2
121.06550	3.2
121.10182	12.0
123.08083	13.5
123.11697	2.7
125.06004	8.1
125.09637	2.5
129.07004	2.1
131.08577	6.1
133.10153	9.7
135.08049	35.4
135.11691	13.8
137.05974	22.1
137.09642	2.6
137.13329	2.0
139.07582	3.5
143.08597	3.3
145.10091	9.8
147.11713	7.0
149.09595	6.5
149.13278	4.7
151.07600	11.0
151.11186	3.2
153.12788	5.3
157.10143	2.5
159.11678	4.4
160.24281	1.6
161.09654	6.5
161.13339	2.4
163.11217	4.5
163.14845	3.3
165.12775	6.9
171.11795	3.6
173.13326	2.7
175.11180	3.3
175.14844	1.8
177.12753	12.5
179.14368	7.2
181.12297	7.4
191.14348	2.4
193.12146	2.4
199.14856	1.9
221.19046	3.3
235.20657	4.6
263.20139	5.8
263.87231	1.8
271.02481	1.8
280.25079	2.0
287.23557	2.4
305.24731	80.2
306.25107	2.6
319.26288	27.8
319.29718	2.2
329.24771	8.6
337.27280	2.8
347.25815	100.0
348.26300	2.8
365.26929	9.0
393.30023	5.4
403.28644	4.1
421.05411	2.5
421.24353	3.2
421.29636	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	3.7
55.05518	11.3
57.03433	1.5
57.07075	9.2
67.05508	16.6
69.03423	1.5
69.07077	18.3
71.08635	6.1
79.05486	3.1
81.07067	8.2
83.08611	11.2
84.82608	1.1
85.10174	1.8
88.45618	1.3
89.06042	2.8
91.05486	10.1
91.11497	1.3
93.07047	47.6
95.04980	3.8
95.08608	28.5
97.06560	1.8
97.10178	7.1
98.98474	4.3
105.04578	1.4
105.07011	3.1
107.08614	8.0
109.06529	1.4
109.10178	5.8
111.08084	19.5
111.11691	1.7
119.08595	3.7
121.06535	4.0
121.10156	3.8
123.08105	1.3
123.11703	1.9
125.09638	3.0
127.07582	3.7
131.08594	2.8
133.08620	2.7
133.10126	1.9
135.08029	2.0
135.11700	1.7
137.09698	1.1
139.07541	24.9
146.43246	1.4
147.11710	1.5
151.11237	1.6
153.09108	15.7
154.05321	1.3
155.01093	1.8
157.08713	2.2
157.10155	2.7
158.19377	1.5
158.40994	1.3
159.96983	1.2
163.11235	1.6
167.10690	9.5
173.89713	1.2
179.10680	1.8
181.12201	7.1
183.04230	4.4
185.13257	1.3
193.12294	2.1
193.33539	1.4
195.13832	5.2
207.13844	3.0
209.15427	4.2
223.17020	3.0
229.69846	1.7
263.27979	1.4
265.21680	2.3
329.83829	1.3
403.35779	26.3
421.36823	100.0
422.37064	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	421.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14443	0.8
52.16673	0.8
53.03938	0.9
53.65020	0.9
55.01873	12.6
55.05514	9.4
57.07079	9.8
67.05480	3.1
69.06684	1.0
69.07066	14.3
71.08641	8.4
71.40612	1.2
78.08128	0.8
78.20311	0.8
79.05495	10.1
81.07057	46.8
81.11231	1.0
83.04996	1.7
83.08617	7.4
85.10170	3.4
91.05495	1.8
93.07024	3.6
95.08610	6.5
97.06511	1.9
97.10161	6.2
99.04463	0.9
102.58897	0.9
105.07011	2.8
107.08594	3.7
109.05799	1.4
109.06511	15.2
109.10159	4.6
111.04422	2.8
111.08104	1.0
111.11737	4.2
119.08580	4.0
121.10148	3.3
123.08013	1.4
123.11666	2.4
125.06001	17.7
125.13242	1.7
131.08566	1.5
133.10117	3.1
135.08064	1.9
137.05983	100.0
137.13284	1.2
145.10141	1.1
147.11687	2.6
149.09621	1.4
151.07500	2.6
155.07005	3.8
157.10207	1.8
159.11679	1.5
161.09619	1.5
161.13287	5.2
163.11163	1.4
163.14789	1.4
165.09100	1.5
171.11674	2.0
175.11130	2.7
175.14853	1.2
177.12773	2.4
189.12726	2.5
193.12250	2.5
203.14175	1.0
207.13808	1.9
217.19337	1.1
221.15407	1.2
222.92241	0.9
245.18954	1.3
249.18639	1.1
263.20001	1.0
263.98630	0.9
277.21558	1.0
333.28174	1.0
347.29111	1.0
360.42676	0.9
385.34543	1.5
403.35550	2.3
421.37006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	21.3
57.07068	14.2
62.68418	2.7
67.05505	26.8
69.07075	35.8
69.21775	5.6
69.22179	26.5
71.08619	8.3
79.05492	18.2
81.07057	51.4
83.08618	38.8
89.06025	11.5
91.05494	15.4
93.07053	31.6
95.08611	84.7
96.44613	2.7
97.10146	11.9
98.20824	6.7
98.98467	5.5
105.07034	33.0
107.08587	39.9
109.10166	59.2
117.07031	6.9
119.08584	36.5
121.10149	35.3
123.11713	31.0
125.85366	2.3
129.06950	4.8
130.07816	3.0
131.08548	13.8
133.08601	3.5
133.10135	27.2
135.11676	27.4
137.13237	10.4
138.92529	2.6
139.07542	4.6
143.08574	8.1
145.10139	24.1
147.11700	24.8
149.13269	24.6
155.01048	9.7
155.08606	3.4
157.10118	7.6
159.11685	26.3
161.13281	29.4
163.14847	16.0
171.11702	8.2
173.13264	13.9
175.14838	21.8
177.16351	8.9
183.11629	2.8
185.13245	6.7
187.14822	13.2
189.16376	16.1
191.17987	14.1
195.13791	2.8
199.14803	5.3
201.16356	10.5
203.18024	14.4
205.19537	3.4
211.14716	4.2
213.16330	5.5
215.17950	8.0
217.19527	17.9
225.16306	4.2
227.17946	4.1
229.19518	10.5
231.21072	9.5
239.14806	3.8
241.19493	5.2
243.21075	5.9
255.21088	5.1
257.22556	4.8
269.22635	4.1
271.24243	4.0
281.22372	5.2
283.24155	8.3
295.24188	6.0
297.25928	5.2
311.27237	3.6
325.29056	3.2
351.30313	4.0
403.35568	8.3
421.30103	4.8
421.38431	100.0
422.38583	7.0
437.46582	3.7
439.21036	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	422.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02232	0.6
58.18956	0.5
69.26556	6.4
73.95943	0.6
78.03461	0.7
85.02898	1.9
90.05837	0.6
91.05473	0.6
98.21522	1.3
107.04905	0.9
145.04961	0.8
149.32590	0.7
155.08594	1.1
165.06984	3.5
167.08542	1.1
177.06985	0.7
181.06392	0.8
182.07207	1.5
183.08104	4.4
193.06514	0.9
195.08052	0.9
197.09599	5.3
210.06689	2.4
211.07582	8.4
212.08328	4.7
213.05608	0.9
215.10683	2.2
225.09102	6.8
228.07784	5.2
243.10181	100.0
244.10445	2.4
286.57516	0.7
380.49985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.7
61.02919	1.1
68.98155	0.8
69.03424	1.0
70.86539	1.2
70.86877	1.7
74.06079	8.4
76.31821	0.8
83.85590	0.8
85.02905	2.9
86.09711	100.0
91.05480	5.6
91.51793	0.8
92.05824	3.7
97.02903	2.0
103.05458	1.2
105.07042	7.4
106.07347	3.6
107.04964	2.2
109.02898	0.8
116.07096	1.6
120.08124	12.1
126.05527	7.1
127.03921	1.6
133.06416	1.5
134.06799	1.0
144.06601	1.0
166.08636	6.5
195.11397	4.4
197.09576	1.0
211.07704	1.7
211.14323	1.9
225.09000	1.3
239.13885	10.6
243.10170	16.4
245.09746	0.9
259.09644	1.6
260.10068	5.5
279.17026	7.6
281.12311	1.0
360.19025	1.4
405.15253	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	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.3
57.03422	3.7
60.04515	7.8
67.05499	7.3
69.03423	7.2
69.07053	8.9
70.06596	39.5
71.04983	3.1
71.48357	4.2
71.92822	2.7
72.08138	4.9
74.09688	5.9
79.05492	6.4
81.03398	3.8
81.07056	20.3
83.04967	5.5
83.08614	4.2
84.08129	5.5
85.02908	34.5
85.06533	3.9
86.09705	27.9
87.00841	4.2
87.05576	5.8
91.05470	8.4
93.07034	10.8
95.08601	12.4
97.02863	3.3
97.06518	7.4
99.04436	8.5
100.04804	2.5
102.54389	2.4
105.07039	16.1
107.04955	68.1
107.08605	12.2
108.05306	3.3
109.02893	3.5
109.06499	3.7
109.10136	2.8
111.08079	14.3
113.09618	6.8
115.07599	3.3
116.07092	76.6
119.08550	7.2
120.08080	8.1
121.10136	8.3
123.08095	4.5
123.11678	12.7
127.03917	3.7
131.08597	3.0
136.07599	4.0
137.05948	4.4
137.13237	3.1
139.11133	5.7
141.12758	8.4
147.11702	39.8
149.09691	3.2
165.12746	21.7
167.07002	3.3
173.12881	24.1
179.14236	3.7
183.13809	4.3
189.12654	4.4
201.12315	12.7
207.13826	14.4
217.06320	2.7
225.14871	100.0
243.15878	10.5
254.96294	2.5
287.05701	6.5
288.06259	5.6
329.06638	2.8
341.60025	2.5
422.06720	4.1
422.11789	21.5
423.06683	6.2
423.11847	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	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.3
57.03422	3.7
60.04515	7.8
67.05499	7.3
69.03423	7.2
69.07053	8.9
70.06596	39.5
71.04983	3.1
71.48357	4.2
71.92822	2.7
72.08138	4.9
74.09688	5.9
79.05492	6.4
81.03398	3.8
81.07056	20.3
83.04967	5.5
83.08614	4.2
84.08129	5.5
85.02908	34.5
85.06533	3.9
86.09705	27.9
87.00841	4.2
87.05576	5.8
91.05470	8.4
93.07034	10.8
95.08601	12.4
97.02863	3.3
97.06518	7.4
99.04436	8.5
100.04804	2.5
102.54389	2.4
105.07039	16.1
107.04955	68.1
107.08605	12.2
108.05306	3.3
109.02893	3.5
109.06499	3.7
109.10136	2.8
111.08079	14.3
113.09618	6.8
115.07599	3.3
116.07092	76.6
119.08550	7.2
120.08080	8.1
121.10136	8.3
123.08095	4.5
123.11678	12.7
127.03917	3.7
131.08597	3.0
136.07599	4.0
137.05948	4.4
137.13237	3.1
139.11133	5.7
141.12758	8.4
147.11702	39.8
149.09691	3.2
165.12746	21.7
167.07002	3.3
173.12881	24.1
179.14236	3.7
183.13809	4.3
189.12654	4.4
201.12315	12.7
207.13826	14.4
217.06320	2.7
225.14871	100.0
243.15878	10.5
254.96294	2.5
287.05701	6.5
288.06259	5.6
329.06638	2.8
341.60025	2.5
422.06720	4.1
422.11789	21.5
423.06683	6.2
423.11847	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	423.1074
Annotation	Thonningine A
Peak:m/z	Relative Intensity
53.03925	0.2
55.01878	0.8
55.02084	0.2
65.03924	0.7
67.05501	0.3
68.99795	0.5
79.01870	0.9
80.02604	0.2
81.03406	0.2
89.34715	0.2
91.24603	0.1
92.02611	0.5
93.03399	1.9
94.04195	0.4
95.04945	0.4
97.02844	0.2
98.20686	0.2
103.05464	0.2
105.03432	0.2
107.01305	0.8
107.04965	1.9
108.02148	0.2
109.02881	0.3
110.03650	0.3
113.75637	0.1
115.05441	0.4
121.02015	0.3
121.02873	5.0
122.03615	0.7
123.04417	1.0
125.02331	0.4
128.06212	0.2
130.95311	0.2
131.04926	0.8
133.10268	0.2
135.04459	0.2
136.01535	0.4
137.02348	2.1
138.03114	1.0
139.03839	0.3
139.05362	0.2
141.05495	0.2
143.04926	0.4
145.02827	0.2
145.06482	0.2
147.04330	0.4
149.02361	0.8
150.03137	1.5
151.03908	8.4
151.05003	0.7
153.01816	1.6
155.03398	0.3
155.04886	0.2
157.06480	0.4
159.04407	0.2
160.05159	0.2
161.02357	0.9
163.07486	0.2
165.01840	8.9
166.02634	1.1
167.03406	0.3
171.04385	0.7
173.06000	0.2
174.06737	0.3
177.01878	0.3
177.05470	1.5
181.01245	0.3
183.02930	1.1
183.04294	0.2
184.05219	0.4
185.05989	0.7
187.03947	0.4
188.04640	0.4
189.05432	0.2
199.03941	0.5
199.07497	0.3
201.05513	0.8
202.06221	0.6
203.03505	0.2
203.07043	1.5
204.04054	0.2
205.04926	0.2
212.04597	0.8
213.05489	1.3
215.03423	0.5
216.04247	0.4
217.04958	0.4
219.06488	0.2
227.03397	0.9
227.06931	0.4
228.04214	0.2
229.04973	1.1
230.05756	1.8
231.06494	1.3
233.04462	0.3
240.04201	1.0
241.04991	1.9
244.03639	0.5
245.04436	2.6
245.08234	0.3
255.02803	0.3
255.06555	0.6
257.04416	1.8
258.05280	2.4
259.05969	1.4
268.03665	0.4
269.04477	1.3
270.05301	0.2
273.03931	0.6
273.07584	1.0
274.04630	0.2
283.06110	0.4
285.03958	2.1
286.04736	6.6
287.05453	0.4
296.03214	0.3
297.03952	1.5
299.05563	0.5
301.03931	0.2
301.07166	0.6
302.04315	1.3
305.07599	0.2
313.03409	0.2
314.04211	29.1
315.04898	2.9
317.06546	0.3
329.06549	87.4
330.06952	2.4
349.07062	0.3
351.08603	0.2
363.08658	0.2
383.08621	0.2
391.08212	0.5
407.07794	0.4
408.08316	1.6
423.10739	100.0
424.11063	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	423.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.96555	1.7
58.00102	0.7
58.99590	7.7
65.32507	0.7
67.05506	8.4
69.03438	5.2
69.07070	19.7
69.19516	6.5
70.06578	3.2
72.08173	1.0
75.26786	0.7
76.02227	2.4
78.93579	0.9
81.03429	1.8
84.04506	2.3
84.08147	12.6
85.02441	0.9
85.02914	10.7
86.09701	1.3
88.03999	1.1
93.07046	1.1
95.04974	3.3
97.02885	5.0
97.06531	1.2
98.97591	6.1
99.02660	1.7
101.04247	48.2
101.10786	0.8
107.04945	2.9
109.02867	2.3
110.06023	1.7
110.97560	1.8
112.07584	2.8
116.98653	1.4
120.08104	5.0
122.02690	0.8
123.04371	3.9
126.05576	1.4
127.02171	5.5
127.03915	2.4
127.05786	2.1
128.98680	0.9
129.03702	2.9
129.10246	4.7
136.07578	1.8
140.07069	9.1
149.32835	0.8
152.07011	1.0
155.01653	1.1
155.04680	0.8
158.99649	1.6
170.06346	3.4
172.04280	100.0
180.04816	1.3
182.08142	3.7
197.07410	2.6
197.96428	0.8
198.05855	6.4
214.05345	12.3
215.08472	5.6
216.06935	1.0
219.01743	2.7
221.14897	0.7
237.02803	1.9
240.06696	0.8
244.06392	9.8
248.09236	0.9
261.09061	17.2
279.07419	2.0
284.11249	1.3
286.07437	1.4
303.10062	1.7
334.09570	1.2
339.10464	0.8
342.10037	2.1
352.70944	1.0
360.11142	1.1
370.09732	1.3
377.13821	8.3
406.39542	0.9
423.14310	57.0
423.23126	2.2
424.14380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1431
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03927	0.7
56.05013	1.8
56.96563	1.5
57.03428	1.2
57.33078	0.6
58.99591	7.2
61.02924	1.6
65.33770	0.7
67.05504	6.7
69.03432	5.4
69.06690	0.9
69.07069	17.7
70.06561	1.2
70.28667	2.3
71.04998	1.0
76.02225	3.1
81.03406	2.3
84.04497	1.3
84.07641	1.5
84.08145	28.6
85.01154	0.8
85.02908	12.0
88.04011	1.0
91.03929	0.9
95.04971	3.0
97.02897	5.4
98.97596	4.2
99.02666	2.8
99.04468	1.0
101.04245	44.7
101.10758	1.2
105.22892	0.7
107.04968	9.8
109.02872	1.2
110.06039	1.7
110.97532	1.1
112.07604	3.3
120.08118	7.3
125.04249	0.7
127.02155	6.0
127.03896	2.8
127.05790	2.5
128.98636	0.7
129.03709	1.8
129.09377	1.0
129.10249	11.8
136.93121	1.5
138.05531	0.8
140.07062	8.3
145.04932	1.6
148.06062	0.7
152.07126	0.9
154.94164	1.3
155.01639	1.7
158.99683	0.7
170.06361	3.4
172.04280	100.0
172.95308	1.1
180.04843	1.0
182.08134	3.0
188.29361	0.7
197.07431	3.2
198.05853	4.1
206.08046	1.1
214.05345	9.7
215.08517	6.8
219.01794	2.6
231.14909	1.2
237.02896	1.1
238.05215	0.8
244.06386	7.9
248.09161	0.9
258.16211	0.8
261.09067	17.4
276.17215	1.3
295.12915	2.4
302.12653	0.8
303.10071	2.4
325.06097	0.8
334.09485	3.4
339.10095	0.8
342.10107	0.8
345.23547	0.7
377.13812	7.4
423.03781	2.1
423.14362	40.0
423.22565	6.3
424.14795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
51.72259	0.3
53.03941	1.5
57.07085	0.7
57.07317	0.3
65.03922	0.4
67.05502	1.3
69.03444	1.9
70.06591	1.2
70.60582	1.0
77.03941	0.8
81.03413	1.0
81.07050	0.8
83.66488	0.3
88.07642	1.6
91.05489	0.4
93.07034	0.6
95.04955	0.8
95.08627	0.4
97.02907	0.5
99.04445	0.3
102.04655	0.3
102.09188	1.1
103.05472	43.7
104.05783	0.3
105.04530	0.5
107.08594	0.5
109.02854	0.5
109.10158	0.7
109.81650	0.3
120.58211	0.3
127.03895	0.9
131.04935	100.0
132.05264	0.7
149.02345	5.4
149.03471	0.6
149.05991	0.8
149.13339	0.3
150.02690	1.3
152.82608	0.3
193.04971	6.1
194.05301	2.8
213.09273	0.4
215.08649	0.3
233.09518	0.4
256.26282	2.4
257.26782	1.9
275.09152	0.8
339.13052	0.3
365.07886	0.4
422.29001	1.5
423.29391	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	423.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17944	0.5
50.94770	0.7
51.31543	0.6
52.13730	0.6
53.03935	1.6
53.53342	0.7
60.58666	0.6
63.67615	0.6
67.05500	2.2
69.03424	2.0
69.07038	0.7
70.06570	0.7
70.28748	1.1
70.29117	2.0
73.10892	0.6
77.03915	1.2
79.05484	1.5
81.03395	1.0
81.07043	1.9
91.05482	1.2
93.07038	2.8
95.04951	1.1
97.02898	1.7
102.04646	0.7
102.09184	0.7
103.05473	45.0
104.05804	0.7
107.08595	0.7
109.10155	0.8
110.78089	0.6
119.08579	1.1
120.07889	0.6
121.10118	0.8
123.08124	0.8
127.03884	1.4
131.04933	100.0
132.05310	1.5
149.02365	2.2
149.05992	1.4
149.13245	0.7
193.04971	1.5
194.05391	0.7
203.72983	0.6
256.26459	1.0
257.26486	1.2
423.29907	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28956	0.4
51.02367	0.6
53.03938	1.5
55.05497	0.5
57.95863	0.5
63.45269	0.5
67.05512	2.7
69.03414	1.6
69.07048	0.5
69.81621	1.7
77.03927	0.6
77.45432	0.4
79.05492	1.0
81.03411	1.2
81.07057	1.6
88.07628	0.5
91.05504	0.6
93.07043	1.1
95.04960	0.9
95.08607	0.8
97.02898	1.4
97.06564	0.4
97.09525	0.5
103.05468	41.3
105.07042	0.8
107.08598	0.9
109.02876	0.6
109.10154	1.5
112.63414	0.4
116.71465	0.5
121.10167	0.5
127.03924	1.1
131.04930	100.0
132.05267	1.2
132.56697	0.5
133.10092	0.7
135.11716	0.6
143.15569	0.5
149.02393	1.6
149.05981	1.3
159.11594	0.5
173.11711	0.5
179.14360	0.6
193.04985	1.6
194.05373	0.8
212.86302	0.4
241.08389	0.5
275.09149	1.1
297.38773	0.4
331.26227	0.5
423.28534	1.6
438.13101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01879	12.8
55.05515	8.2
57.03434	4.3
57.30904	3.0
61.02932	9.7
67.05511	8.4
68.99799	6.6
69.03439	34.4
69.07081	5.0
69.20409	32.9
70.06580	4.6
73.02936	6.9
73.44610	3.7
79.05497	19.5
81.03422	40.0
81.07077	28.4
83.04993	11.2
85.02922	44.3
86.09720	5.9
87.00829	28.6
87.04466	3.4
91.05490	25.1
93.07030	17.3
95.08616	14.9
97.02893	11.0
97.06567	3.6
98.21559	7.6
99.04461	11.1
103.03944	16.0
103.05490	3.4
105.01872	15.3
105.07042	91.6
105.71134	3.6
107.04959	13.8
107.08615	13.0
109.02886	15.4
111.04470	11.7
115.03963	7.7
117.07024	17.0
119.08591	39.1
120.08172	4.2
121.06505	3.6
123.04388	4.3
127.03887	10.4
128.06259	8.6
129.01852	11.7
129.07013	13.0
130.07761	4.0
131.08574	67.4
133.10136	21.8
135.04449	5.1
135.11697	4.3
139.01614	3.5
141.06973	5.1
142.07808	8.7
143.08577	42.3
144.09378	7.2
144.73320	3.1
145.06523	3.8
145.10141	50.0
147.02904	8.6
147.07973	3.8
147.11678	10.0
149.13225	4.9
153.05510	5.7
155.08545	25.8
156.09349	8.8
157.10133	32.5
158.10869	7.0
159.02928	10.6
159.08043	4.6
159.11717	77.7
159.13028	3.8
161.13269	63.9
163.14912	6.2
165.06992	4.4
167.07040	6.0
167.08531	4.6
169.10156	21.9
171.02971	4.3
171.11694	13.0
173.09688	5.0
173.13275	97.6
175.14851	38.5
181.10158	8.4
182.10921	5.2
183.08150	6.1
183.11749	10.5
185.13300	51.5
186.91734	3.9
187.14867	19.7
189.03969	18.3
192.09373	4.6
193.09972	4.2
195.11774	7.9
197.13307	31.3
199.14850	32.8
209.13278	9.1
211.07457	4.5
211.14815	12.7
217.15956	6.2
219.11925	4.1
223.11311	4.9
223.14828	7.3
229.15900	5.6
237.16475	5.9
241.15752	5.8
243.10129	9.9
247.14810	8.0
265.15945	15.2
283.17023	8.4
301.18054	7.2
329.06485	9.7
337.20053	7.1
405.18988	13.3
423.11124	6.4
423.20190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.01870	6.7
55.05516	21.8
56.96582	3.7
57.03428	9.7
57.07064	6.4
59.04976	5.7
60.04512	3.1
65.03947	4.7
67.05509	100.0
68.05839	2.9
69.03423	13.0
69.07074	23.0
71.04991	7.3
73.02877	3.2
79.05507	43.9
81.03416	15.0
81.07061	80.4
83.04984	7.2
83.08626	16.0
85.02900	8.9
85.06549	6.5
87.04441	3.1
91.05479	33.1
93.07051	53.1
95.04953	9.1
95.08613	55.0
97.02896	21.0
97.06525	8.5
97.10191	4.0
99.04469	9.7
99.08076	5.3
103.05477	3.0
105.07032	22.0
107.04952	10.1
107.08594	30.2
109.02874	4.8
109.06518	14.8
109.10161	45.5
111.04443	3.7
111.08076	8.7
115.24268	3.1
117.07040	14.1
117.33208	3.1
119.08604	30.7
120.79655	2.8
121.10152	27.3
123.08064	31.7
123.11715	11.5
127.03912	8.3
129.07008	5.7
131.04903	3.9
131.08577	21.7
133.10144	17.3
135.08061	11.6
135.11714	22.8
137.05936	3.6
137.09628	6.1
139.11208	2.8
143.08551	9.0
145.10149	18.0
147.11710	14.5
149.09653	5.1
149.13208	14.6
151.11189	3.8
155.08611	5.2
157.10120	4.9
159.11693	18.4
161.09639	3.8
161.13260	8.4
163.14877	6.3
169.10103	4.5
171.11674	6.3
173.11737	10.2
173.13286	11.4
175.14824	3.4
177.12817	5.5
177.16348	2.7
179.14352	32.4
183.11664	4.8
185.13329	5.3
187.14728	5.8
195.13823	5.1
199.14737	3.2
202.56290	3.0
243.21138	5.8
259.20660	3.8
261.22141	8.9
275.20096	5.0
277.21576	7.0
303.23083	8.6
303.26474	4.0
313.21460	3.6
315.16406	4.4
331.26221	20.2
333.17386	5.0
349.27118	7.1
351.23068	4.2
369.24341	9.4
387.25165	7.1
405.26294	11.2
423.26471	13.2
423.31808	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.3
55.05523	27.1
57.03426	5.1
57.07065	10.2
60.70899	3.3
67.05508	82.8
69.03436	59.0
69.03787	7.1
69.07077	26.9
69.49045	27.7
71.04987	12.8
71.08611	4.2
72.08144	20.2
73.21113	4.0
79.05499	55.7
81.03420	100.0
81.07059	89.7
83.04987	12.2
83.08623	13.9
85.02906	17.1
91.05484	54.5
93.00192	3.4
93.07050	76.1
93.19928	3.5
93.71866	4.0
95.04972	10.5
95.08608	71.7
97.02908	16.0
97.06518	6.6
97.10207	9.4
98.20670	5.6
99.04438	21.4
99.08096	4.2
103.82382	4.0
105.07029	41.6
107.02067	3.8
107.04968	5.0
107.08589	36.0
109.02895	13.0
109.06506	11.7
109.10162	27.7
111.04473	5.4
117.07035	15.2
119.08593	37.6
121.10159	39.0
123.08050	22.2
123.11714	13.5
127.03895	8.7
129.07022	6.3
131.08572	26.7
133.10132	24.2
135.08069	8.1
135.11691	25.4
137.09641	4.7
145.10133	26.8
147.11705	17.3
149.13232	15.1
157.10121	11.6
159.11737	21.8
161.13289	12.0
163.11200	4.9
163.14803	6.0
169.10168	5.9
171.11711	8.1
173.13307	13.0
175.14828	4.7
179.14311	22.4
184.87944	4.7
185.13309	6.4
189.12807	4.4
197.13454	4.4
199.14720	6.1
203.14331	4.0
243.21292	3.6
245.82491	4.2
259.20419	5.2
261.22202	16.7
277.21704	5.0
303.23193	8.4
331.26352	13.8
369.24466	7.8
387.25375	10.7
405.26364	13.7
406.48361	3.8
406.54465	4.0
423.31720	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.1
55.01870	6.6
55.05513	35.7
57.03418	6.1
57.07063	6.1
59.05002	3.7
67.05505	92.1
69.03096	3.8
69.03431	40.1
69.07069	29.7
69.40881	12.7
69.41315	12.1
70.24182	3.3
70.24606	3.2
71.04982	8.1
78.05853	3.2
78.76175	3.4
79.05497	68.7
81.03431	28.9
81.07063	100.0
83.04996	7.9
83.08624	19.0
85.02888	13.5
85.06535	6.6
87.04475	3.7
91.05482	55.2
93.06482	7.1
93.07043	79.2
95.04956	10.7
95.08615	70.2
95.09199	6.7
97.02905	19.3
97.06533	11.5
97.10176	8.2
98.21576	7.5
99.04446	8.2
105.07026	54.2
107.04942	7.0
107.08603	53.7
109.02850	7.5
109.06536	19.1
109.10159	34.5
111.04448	8.0
111.08046	6.4
117.07034	14.0
119.08592	40.8
121.06462	5.6
121.10120	33.2
123.08111	30.6
123.11717	16.8
125.09649	4.3
127.03889	11.3
128.06169	5.4
128.23953	4.2
129.07028	9.8
131.08563	30.4
133.06451	5.4
133.10136	27.5
135.08054	13.1
135.11714	22.7
137.09605	7.4
137.13255	5.7
141.07007	4.2
143.08531	14.1
144.09253	4.0
145.04950	4.0
145.06563	8.4
145.10118	23.0
147.08032	8.4
147.11676	26.8
149.06003	3.7
149.09695	5.2
149.13258	12.3
151.07561	6.1
151.11182	7.1
155.08521	5.1
157.10133	11.8
159.08052	6.0
159.11700	24.4
161.09554	6.0
161.13232	16.5
163.14822	6.5
165.09091	4.0
169.10078	4.7
171.11682	12.3
173.13264	13.5
175.11145	5.1
175.14833	4.7
177.12816	7.6
179.14290	33.7
181.10182	4.4
183.11682	11.2
185.13251	3.7
187.11243	5.0
187.14810	13.0
195.11650	3.7
199.14857	7.0
201.16412	3.4
221.15422	3.7
241.19533	6.0
243.21214	4.8
259.20587	10.6
261.22171	24.2
272.58450	3.5
273.22165	3.6
275.20197	7.4
275.23618	4.3
277.21774	8.1
289.21597	4.5
301.21875	3.6
303.23199	15.6
313.24417	3.4
319.22916	6.5
331.26208	21.0
341.24573	5.0
345.24384	4.5
349.27332	7.9
369.24240	19.0
387.25162	20.6
405.26367	18.3
423.26523	13.6
423.31845	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.2
55.01864	8.0
55.05517	26.0
57.03426	8.8
57.07072	4.7
63.78652	2.9
65.03933	4.1
67.05512	86.9
69.03432	48.0
69.07070	27.9
71.01359	4.9
71.04980	8.9
73.02930	4.7
79.05499	66.4
81.03428	55.1
81.07061	100.0
83.04976	11.3
83.08610	10.0
83.96783	3.0
85.02906	23.8
85.06568	7.2
87.04458	3.5
91.05489	61.2
93.07050	85.5
95.04966	11.0
95.08606	75.0
97.02903	17.7
97.06543	9.1
97.10166	8.6
99.04460	9.2
103.03954	6.8
105.07031	52.0
107.04984	6.0
107.08596	41.9
109.02886	9.7
109.06519	14.2
109.10174	29.7
111.04426	6.5
111.08106	6.3
113.06056	3.6
117.07028	23.7
119.08593	41.9
121.06509	7.6
121.10149	42.7
123.08080	18.1
123.11698	13.5
127.03909	10.1
128.06143	4.4
129.05505	4.7
129.07024	8.9
131.08583	37.2
133.06509	7.1
133.10126	31.7
135.08038	9.0
135.11699	26.3
137.09634	6.1
137.13170	3.8
140.40953	3.5
143.08569	8.1
145.10136	25.5
147.08012	4.9
147.11707	25.7
149.09628	4.9
149.13243	12.5
151.11214	4.0
155.08522	5.5
157.10124	11.7
159.08057	5.0
159.11722	18.7
161.09601	2.9
161.13324	14.4
163.11176	5.8
163.14836	8.3
167.08571	3.8
171.11725	9.9
173.09659	3.7
173.13268	18.0
175.11115	3.5
175.14851	5.8
177.12741	4.2
179.14297	17.8
183.11627	4.7
185.13303	9.2
187.11171	5.3
187.14772	6.8
189.12758	3.2
193.12131	3.6
195.11700	4.5
199.14807	8.3
229.69466	4.2
241.19508	5.4
243.21185	6.7
259.20575	11.1
261.22195	33.8
269.69376	2.7
277.21658	6.1
279.23181	3.7
285.22156	4.5
289.21872	3.6
291.23474	3.6
301.21637	5.0
302.28259	3.8
303.23270	11.4
315.23376	6.5
327.23181	4.7
331.22845	4.0
331.26437	11.1
351.23175	8.6
357.24384	5.9
369.24283	18.2
387.25284	15.5
405.26367	22.4
423.27069	16.4
423.31213	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
53.73731	2.3
55.01874	7.1
55.05508	28.0
57.03429	9.1
57.07080	3.0
59.73287	2.6
62.87105	2.3
65.03928	3.5
67.05508	100.0
68.32421	2.5
69.03432	20.5
69.07069	22.0
70.93316	7.4
71.04980	5.9
71.08632	2.8
79.05497	56.2
81.03425	32.1
81.07060	84.4
82.51428	2.6
83.04979	7.4
83.08623	10.9
85.02916	9.9
85.06537	4.3
87.04484	3.8
91.05490	46.9
93.07046	68.1
95.04964	11.0
95.08613	49.9
97.02893	10.9
97.06518	6.9
97.10189	3.8
99.04462	10.4
103.03958	4.4
103.05476	7.1
105.06378	5.0
105.07033	39.7
107.04985	4.4
107.08597	41.7
109.02852	5.0
109.06524	8.6
109.10159	42.7
111.04459	3.3
111.08102	4.4
115.05457	4.8
117.07017	18.9
119.08594	35.6
121.06493	8.1
121.10148	26.1
123.04408	3.3
123.08082	6.6
123.11720	8.0
127.03927	3.2
128.06238	2.9
129.05498	4.5
129.07033	10.3
129.23485	3.0
131.04918	12.8
131.08589	27.3
133.06517	5.7
133.10158	26.1
135.08072	7.3
135.11696	20.0
137.06000	3.1
137.09613	3.8
137.13283	4.8
139.11208	2.7
141.07095	3.5
143.08549	14.2
145.06479	3.7
145.10159	22.0
147.08055	8.2
147.11684	17.9
149.09616	3.3
149.13272	10.9
151.07542	3.1
153.09190	3.3
155.08583	3.6
157.10143	10.9
159.11697	17.2
161.09627	3.6
161.13283	8.8
163.14735	5.3
169.10063	3.8
171.08095	2.8
171.11696	7.3
173.09554	3.1
173.11850	5.6
173.13277	12.0
175.11267	5.0
175.14783	6.6
177.12688	3.3
179.14267	7.0
183.11749	5.1
185.13283	9.2
187.14867	5.0
189.12819	4.6
191.10742	3.1
197.13364	3.4
199.14876	2.9
201.16438	4.4
207.13786	3.0
209.23738	2.8
213.16301	3.9
239.53926	2.9
243.21135	3.3
249.14706	3.1
259.20679	9.6
261.22232	13.0
271.20541	3.4
273.22110	3.5
274.42618	2.7
277.21634	6.1
289.21732	4.9
297.22281	3.0
303.23169	11.3
315.23050	4.3
327.23090	5.0
331.26288	3.9
341.24542	3.6
345.24326	3.9
351.22974	6.6
352.18506	2.7
359.25470	3.2
369.24231	19.4
386.12131	2.7
387.25406	20.7
405.26379	18.2
423.26776	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.01865	13.3
55.05519	33.9
57.03427	11.7
57.07069	7.1
61.40339	2.9
64.54417	3.0
65.03938	5.7
67.05508	94.2
69.03438	35.9
69.07071	32.6
71.04992	11.5
73.02914	4.1
79.05499	79.6
81.03423	53.4
81.07062	100.0
83.04970	10.9
83.08624	16.4
85.02923	19.4
85.06548	3.4
91.05482	64.9
93.07048	94.8
95.04960	16.9
95.08612	81.4
97.02898	14.9
97.06532	9.5
97.10161	8.3
99.04474	12.9
103.05527	3.4
105.07030	62.8
107.04971	8.8
107.08598	50.0
109.02911	6.2
109.06533	18.9
109.10165	38.2
111.04455	10.8
111.08035	5.3
117.07021	26.2
119.08586	57.7
121.06541	9.4
121.10156	49.6
123.08062	19.3
123.11717	11.7
125.05962	3.8
127.03955	6.4
129.07034	17.9
129.40384	3.2
131.08560	38.4
133.06502	6.4
133.10130	37.4
135.08047	9.0
135.11667	30.9
141.06952	4.6
142.07816	3.4
143.08578	14.8
143.98500	3.0
145.06477	6.8
145.10127	27.4
147.08037	7.0
147.11710	28.7
149.09657	7.0
149.13281	18.5
155.08533	7.6
157.10100	12.9
159.08022	4.9
159.11716	25.2
161.09645	6.8
161.13269	23.3
163.11145	3.7
163.14803	11.8
171.08093	4.3
171.11691	15.4
173.09680	4.9
173.13298	17.7
175.14850	8.0
177.12810	3.8
179.14281	20.6
183.11703	4.9
185.13292	9.3
187.11218	5.5
187.14789	5.8
189.16365	4.7
191.14326	3.6
195.11765	6.4
197.13300	8.4
199.11180	3.8
199.14847	6.5
203.14331	5.0
213.12621	4.7
213.16379	3.5
217.15791	4.7
221.15442	4.0
239.14296	3.5
241.19489	7.5
241.96619	3.1
243.21141	5.5
259.20557	16.1
261.22205	24.0
273.22177	7.7
277.21658	7.1
285.22180	3.8
289.21643	6.3
291.23248	7.5
301.21597	3.7
303.23190	22.1
303.26468	3.2
315.23193	6.1
319.22723	4.8
331.22720	3.7
331.26318	12.9
341.24710	8.2
351.23145	9.3
369.24261	26.4
387.25317	23.5
405.26309	26.8
423.27026	13.8
423.32175	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01912	3.6
53.03945	15.1
55.01870	8.6
55.05511	25.1
57.03431	10.3
57.07071	8.9
65.03933	6.6
67.05508	89.3
69.03432	23.0
69.07073	20.8
70.08961	17.3
71.04981	15.2
73.02918	6.4
74.51376	3.7
79.05499	83.5
81.03410	21.8
81.07056	96.7
83.04975	5.7
83.08620	8.8
85.02901	8.7
85.06535	6.8
89.06025	9.2
91.05485	49.8
93.07050	92.0
95.04974	13.4
95.08614	57.2
97.02893	100.0
97.06564	6.3
97.10148	5.2
99.04458	54.6
105.07034	32.5
107.04929	5.0
107.08595	42.9
109.02884	16.0
109.06510	9.3
109.10172	29.2
117.07024	16.2
119.08604	28.0
121.10148	45.3
123.08040	8.2
123.11726	12.5
125.09708	6.4
127.03925	31.7
129.06963	5.1
131.08574	24.6
133.10133	21.9
134.55443	3.8
135.08020	5.5
135.11685	29.6
137.13225	4.0
143.08539	5.9
145.04965	15.8
145.10124	17.5
147.11702	15.6
149.13268	14.9
157.10196	8.6
159.11699	11.1
159.40921	3.6
161.13275	10.9
163.14813	4.8
171.11659	5.6
173.13289	15.3
175.14819	4.4
179.14290	22.9
183.11806	4.5
187.14836	5.3
243.21130	7.7
259.20551	7.5
261.05429	3.7
261.22128	28.6
276.71188	3.9
303.23154	6.4
324.02545	3.9
331.26300	9.8
369.24219	5.7
387.25095	8.6
405.26233	8.2
423.31882	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89500	1.8
53.03944	4.7
55.01871	5.4
55.05507	13.8
57.03438	3.1
57.07072	3.4
67.05502	27.1
69.03424	9.0
69.07059	13.3
69.24052	12.4
69.24463	3.0
69.97816	1.7
71.04994	4.8
71.08650	2.4
73.02901	3.9
79.05492	27.3
81.03424	4.8
81.07060	34.8
83.08604	6.4
84.71613	1.8
91.05483	16.8
93.07049	26.8
95.04958	2.6
95.08604	30.8
97.02898	22.9
97.06545	2.8
97.10181	2.8
98.20837	4.0
99.04440	11.0
105.07034	15.3
107.08596	19.5
109.02869	3.9
109.06519	14.2
109.10128	12.6
111.08083	2.7
117.07035	5.5
119.08596	14.4
121.10155	18.5
123.08062	45.6
123.11697	3.5
127.03922	12.6
131.08597	8.2
131.32932	1.6
131.54227	1.6
133.10127	11.7
135.08020	9.9
135.11700	9.6
137.09660	5.0
137.13213	1.8
137.90308	1.7
141.67381	1.7
143.31059	1.6
144.54808	1.7
145.10152	5.4
147.11711	9.1
149.09647	3.8
149.13269	6.0
153.35759	1.5
159.11703	6.5
161.13263	8.1
163.14755	2.2
173.13284	4.1
177.12735	4.2
179.14330	35.2
187.14847	2.2
193.15849	2.4
205.15851	3.0
243.21159	2.5
261.22223	8.7
275.20096	3.8
293.21338	3.5
303.26984	5.3
331.26297	34.1
349.27457	7.6
357.24557	2.1
367.24860	2.2
405.30261	2.0
423.31088	100.0
442.26532	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.1
55.01873	2.8
55.05509	19.4
57.03422	5.6
57.07074	1.8
65.03943	3.1
66.62742	1.8
67.05506	55.2
68.46757	1.9
69.03429	57.0
69.07067	17.2
70.21661	2.0
70.79844	4.6
71.04980	8.1
75.49754	2.1
79.05494	47.9
81.03418	100.0
81.07055	68.0
81.07539	4.5
82.03751	2.5
83.04958	4.2
83.08620	9.4
85.02906	10.2
85.06514	2.2
91.05480	24.9
93.07043	50.4
95.04961	6.9
95.08607	49.6
97.02900	11.3
97.10155	3.0
99.04462	15.8
105.07027	26.6
107.08594	26.9
109.02891	14.3
109.06521	4.7
109.10143	20.1
111.04489	2.6
111.08070	3.1
117.07016	7.9
119.08578	20.9
121.06506	2.1
121.10148	26.1
123.08080	7.1
123.11717	6.7
125.09651	2.0
127.03925	11.5
129.05482	2.0
129.06958	5.5
131.08556	18.5
132.12833	1.9
133.10110	13.5
135.08057	4.7
135.11705	17.8
137.09615	4.1
137.13231	5.2
139.11162	2.7
143.08568	3.6
145.10097	9.7
147.11693	8.6
149.09637	2.5
149.13275	11.4
157.10062	2.6
159.11711	9.0
161.13260	9.3
163.14799	4.9
165.09123	27.7
171.11659	2.7
173.13309	6.7
175.14783	3.2
179.10666	3.0
179.14352	4.4
185.13239	4.3
187.14792	6.1
190.09698	2.3
201.28955	1.8
203.17958	3.2
205.12225	5.3
211.14725	1.9
214.57773	2.0
231.13655	2.3
243.21124	3.4
249.15050	2.3
259.20557	5.3
261.22208	10.5
277.21527	2.7
279.23245	2.5
303.23026	4.6
345.24173	2.5
369.24112	6.0
387.25464	4.0
387.33710	2.1
405.26178	6.1
423.26691	4.4
423.31989	9.4
445.01172	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75907	2.7
53.03939	7.7
55.01865	7.9
55.05516	31.3
55.29643	2.3
56.64421	2.5
57.03426	6.4
57.07066	7.8
60.04522	6.9
65.03934	4.6
67.05510	100.0
69.03429	15.1
69.07071	27.4
70.06635	2.8
70.54138	8.0
71.04972	7.8
71.08642	4.1
73.02876	3.1
74.00131	2.9
74.27646	2.3
76.49433	2.5
79.05496	53.2
81.03427	18.9
81.06602	5.1
81.07061	86.0
83.04982	9.8
83.08612	17.3
85.02895	8.5
85.06538	7.6
87.04458	2.5
91.05482	41.5
93.06490	5.1
93.07048	61.5
95.04969	9.2
95.08609	56.1
97.02896	11.1
97.06520	9.5
97.10154	6.4
98.20834	3.4
99.04412	4.4
99.08102	3.8
103.05412	3.5
105.07039	40.0
107.04961	6.6
107.08586	39.2
109.02842	5.2
109.06526	16.1
109.10155	47.6
111.04441	7.3
111.08093	6.8
115.05501	4.2
117.07031	17.1
119.08591	35.8
121.06491	5.7
121.10155	23.4
121.44668	3.6
123.04443	4.1
123.08070	34.3
123.11691	11.0
127.03941	3.7
127.11174	3.2
128.06232	3.6
129.06999	7.9
131.08594	25.1
131.95966	2.7
133.10138	24.3
135.08066	10.0
135.11708	19.5
137.05968	3.6
137.09610	4.2
137.13290	3.1
141.07043	3.4
142.07881	3.1
143.08572	8.0
145.10117	23.9
147.08055	5.2
147.11661	11.1
149.09583	4.2
149.13239	20.9
151.11194	5.6
153.09076	3.5
155.08554	4.4
157.10117	9.4
159.11684	20.2
161.13271	8.0
163.11224	4.6
163.14821	5.6
169.10103	5.8
171.11684	11.2
173.11783	9.9
173.13290	14.5
175.14780	4.0
177.12772	5.6
179.14310	32.0
181.10283	2.8
183.11746	5.4
185.09627	3.6
185.13248	8.7
187.11176	3.2
187.14816	7.5
191.14275	3.2
195.11806	3.3
195.13831	4.2
197.13164	3.9
199.14835	4.3
205.15865	3.3
216.41489	2.9
222.41624	3.2
243.21086	3.7
259.20599	6.9
261.22214	12.9
277.21545	5.6
279.23199	3.5
291.23080	3.7
301.21561	3.7
303.23154	12.5
303.26569	4.1
315.23260	3.4
318.29916	6.8
319.22537	3.6
331.26187	23.1
345.24127	4.7
349.27399	7.8
369.24283	14.5
370.31326	4.0
387.25427	13.2
405.26297	15.7
405.31012	3.6
423.26740	21.2
423.31976	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.01873	6.2
55.05514	25.7
57.03431	9.7
57.07066	6.2
67.05505	100.0
68.10947	2.3
69.03432	37.4
69.06802	2.1
69.07079	21.4
69.40033	3.7
69.40436	17.6
71.04990	7.1
76.85281	2.9
79.05017	3.5
79.05492	56.9
81.03418	34.0
81.07055	85.4
83.04980	10.0
83.08617	10.0
85.02909	16.1
85.06561	4.0
91.05477	52.2
93.06483	4.8
93.07043	63.3
95.04977	10.6
95.08611	58.4
97.02892	14.6
97.06564	3.2
97.10178	4.6
99.04475	7.7
99.08118	3.8
105.07024	37.1
107.04934	6.1
107.08595	37.4
109.02863	5.0
109.06521	7.1
109.10164	43.8
111.04474	5.8
111.08110	3.4
111.11795	2.7
112.01668	2.4
113.09685	3.3
115.97912	2.5
116.06362	2.9
117.07017	16.0
119.08573	30.0
121.06489	4.2
121.10152	29.9
123.08075	9.6
123.11706	13.7
127.03924	8.4
129.05403	3.4
129.07025	9.2
131.04913	3.2
131.08551	30.8
133.06450	4.5
133.10123	20.7
135.08017	6.4
135.11710	23.0
137.09612	4.7
137.13213	4.5
139.11171	3.3
141.06987	4.5
143.08554	11.1
145.10114	18.7
147.08028	3.7
147.11693	20.4
149.09642	4.5
149.13225	14.0
151.11166	3.6
155.08525	3.1
157.10144	9.5
159.11716	17.5
161.09662	4.8
161.13287	14.3
163.11177	4.4
163.14847	5.2
169.10036	4.4
171.11702	10.1
173.11861	4.2
173.13272	14.7
175.11230	3.3
175.14754	6.0
177.12737	2.9
179.14304	7.6
185.09689	3.3
185.13257	4.6
187.14795	5.7
189.12706	3.2
195.08063	2.6
195.13699	3.2
199.14799	4.8
204.60962	2.5
205.15967	3.0
240.28749	2.9
241.19452	3.1
243.21133	4.6
259.20657	9.3
261.22116	24.9
271.20627	3.0
277.21796	6.8
279.23193	3.2
289.21716	3.5
301.21606	3.5
303.23108	9.1
315.23056	6.7
319.22635	3.4
331.26309	5.0
339.22882	3.0
341.24750	2.6
345.24063	2.8
369.24246	19.7
387.25461	15.7
405.26346	13.7
423.26822	26.9
423.32492	4.0
431.88272	2.8
445.60641	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92435	1.3
53.03935	4.3
53.54239	1.2
55.01868	3.4
55.05513	10.4
57.03427	4.4
57.07061	2.4
64.64735	1.2
67.05183	2.2
67.05511	22.6
69.03416	5.4
69.07069	11.8
69.79478	6.3
71.04987	3.0
71.08627	2.7
73.02934	1.6
79.05495	21.5
81.03424	6.0
81.06597	2.0
81.07059	28.7
83.04991	1.7
83.08624	4.5
85.02888	2.1
85.06554	2.0
85.65544	1.3
91.05064	1.2
91.05495	12.9
93.07045	24.6
95.04958	1.9
95.08611	26.8
95.88383	1.4
97.02892	20.1
97.06544	3.5
99.04455	11.7
99.08086	1.8
105.07025	10.4
107.08598	14.8
109.02873	4.9
109.06519	10.9
109.10151	10.9
117.07022	3.9
119.08569	14.0
121.10136	11.6
123.08070	47.9
123.11732	4.9
125.09664	1.3
127.03893	10.2
129.07019	1.5
131.08543	6.6
133.10138	9.2
135.08064	8.5
135.11679	7.5
137.09647	3.8
145.04993	1.7
145.10107	7.3
147.11703	4.9
149.09619	3.1
149.13261	5.9
151.11287	1.8
159.11674	4.4
161.13243	2.5
165.12744	2.0
173.13316	2.5
177.12767	2.1
179.14316	32.4
187.14751	1.9
201.16458	1.4
243.21184	2.0
245.92093	1.6
261.22128	7.1
263.20197	2.5
275.20020	4.0
277.21570	1.4
293.21140	3.8
303.26886	5.0
331.26315	34.8
332.26785	2.0
349.27371	9.3
350.27786	1.6
405.29999	1.8
423.31082	100.0
424.31345	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01867	1.0
55.05519	9.9
57.03447	2.5
57.07068	2.9
59.04997	0.8
65.03950	1.1
66.44016	0.8
67.05512	10.6
69.03457	1.1
69.07067	11.2
70.61633	2.1
71.04998	2.5
71.08633	1.9
79.05505	7.9
81.07067	18.4
83.04980	1.2
83.08624	5.7
85.06584	1.0
91.05493	5.8
93.07051	11.4
95.08614	16.6
97.06529	3.2
105.07037	5.8
107.08609	10.0
109.06523	12.3
109.10175	6.8
111.08089	2.9
116.02916	1.0
119.08591	8.6
121.10142	5.3
122.07310	0.9
123.08077	65.7
123.11677	2.3
131.08549	2.6
133.10115	4.9
135.08063	9.6
135.11697	3.3
137.04219	0.8
137.09628	4.6
145.10139	2.7
147.11687	4.1
149.09615	4.5
149.13283	3.1
151.11227	1.0
159.11702	4.9
161.09653	1.6
161.13248	1.5
165.12755	1.2
173.13332	1.2
175.14839	1.2
177.12787	4.3
179.14322	25.6
179.15846	1.6
193.16014	1.1
205.15900	1.0
233.19037	2.0
263.20193	2.4
275.20044	4.7
289.21948	1.2
289.25467	1.6
293.21063	4.7
303.26837	6.1
331.26346	42.3
332.26663	2.0
349.27393	9.7
367.24835	3.9
405.30167	2.0
423.31094	100.0
424.31458	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01871	2.8
55.05514	8.3
57.03431	4.0
57.07064	3.9
59.05004	1.1
65.03951	1.5
67.02614	1.0
67.05504	24.4
69.03432	8.0
69.07063	11.8
69.70926	5.5
71.04983	4.0
71.08621	1.6
79.05489	16.5
81.03413	5.1
81.07056	30.6
83.04955	2.0
83.08625	4.6
83.58773	1.0
85.02904	2.2
85.06554	2.4
91.05475	12.9
93.07042	21.5
95.04964	2.7
95.08606	22.7
95.09183	1.7
97.02888	17.5
97.06532	4.2
97.10170	1.7
99.04470	5.5
99.08082	2.1
105.07030	9.0
106.64948	1.0
107.08596	13.8
109.02876	4.1
109.06512	14.7
109.10155	13.5
111.08075	2.0
117.07044	3.4
119.08601	9.6
121.10143	11.1
123.08065	42.3
123.11713	3.8
127.03885	5.6
129.06990	1.2
131.08569	6.4
133.10136	7.2
135.08043	11.3
135.11700	5.4
137.09624	4.2
143.08493	1.1
145.10124	7.3
147.11678	7.0
149.09631	3.9
149.13277	4.3
157.10123	1.8
159.11710	5.1
161.09590	1.7
161.13266	4.1
163.11247	1.5
163.14804	1.1
165.12744	1.6
167.14262	1.2
171.11694	1.1
173.13284	2.9
175.14850	1.3
177.12657	4.9
179.14304	41.2
181.91617	1.0
187.14845	1.1
189.16452	1.1
193.15903	1.4
201.16394	1.8
205.15823	1.3
211.38673	1.0
247.20638	1.7
259.20886	1.2
261.22208	4.5
275.20105	5.2
300.05179	1.1
303.26779	5.2
313.25095	1.4
331.22351	2.3
331.26328	39.9
332.26639	1.2
338.14810	1.0
349.27774	1.7
357.24170	0.9
367.24753	1.8
423.31116	100.0
424.31326	2.7
445.55682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01868	1.4
55.05515	10.7
57.03436	3.6
57.07063	4.4
67.05507	17.4
69.03419	1.7
69.06696	1.2
69.07063	20.0
71.04977	3.9
71.08615	3.4
71.49059	1.6
72.08150	5.0
79.05493	10.7
81.07054	33.2
83.04967	1.6
83.08618	10.1
83.09038	1.6
85.06532	2.2
86.09723	2.1
89.06021	2.6
91.05478	9.5
93.07043	19.6
95.04970	3.0
95.08605	26.3
97.06536	4.6
97.10170	4.4
99.08105	1.7
105.07014	14.9
107.08604	19.1
109.06503	14.1
109.10165	15.3
111.08067	3.8
111.11707	2.0
117.07021	2.9
119.08572	18.3
121.06500	2.1
121.10139	15.3
123.08067	58.7
123.11685	7.3
125.09615	1.3
131.08607	4.9
133.10127	9.5
135.08049	10.3
135.11705	9.8
137.09598	5.6
137.13266	3.2
143.08604	1.5
144.09315	1.7
145.10136	9.6
147.11696	9.1
149.09595	4.8
149.13232	6.6
157.10187	2.9
159.11688	10.9
161.13225	7.0
163.11163	1.8
163.14838	3.2
165.12712	1.7
167.14207	1.3
171.11696	2.0
173.13248	4.4
175.14804	3.6
177.12772	4.4
177.16406	2.3
179.14299	26.8
185.13191	1.5
187.14806	5.1
189.16457	4.1
193.15976	1.2
199.14819	1.8
201.16429	3.7
203.18002	1.8
213.16437	2.3
215.18007	2.3
217.19604	1.4
227.17935	1.7
247.20737	2.2
259.24243	2.1
263.20178	2.7
275.20135	4.4
293.21133	3.6
303.26898	4.6
305.52795	1.4
331.26300	39.0
332.26758	1.5
349.27301	9.8
367.24872	2.3
405.30109	2.0
405.35126	1.5
423.31104	100.0
423.36292	13.1
424.31238	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01869	1.8
55.05509	11.2
57.03426	3.4
57.07068	2.9
67.05503	15.6
69.07065	14.4
71.04984	2.3
71.08615	2.9
71.22691	1.5
71.23051	2.1
79.05493	11.0
81.03423	1.5
81.07060	29.7
83.04956	1.5
83.08607	5.3
85.06541	3.3
86.09705	3.7
89.06009	2.1
91.05478	7.1
93.07044	19.4
95.04975	2.9
95.08611	26.9
97.06528	4.5
97.10154	2.7
105.07031	14.7
107.08585	18.3
109.06534	14.4
109.10152	13.2
111.08069	2.5
117.07036	1.7
119.08591	13.4
121.10133	12.6
123.08068	52.5
123.11656	5.8
125.09615	2.1
131.08589	4.0
133.10114	9.4
135.08061	14.1
135.11700	8.9
137.09607	3.6
137.13266	1.3
145.10124	6.1
147.11661	7.2
149.09615	3.6
149.13280	7.6
157.10132	2.4
159.11690	6.6
161.13318	6.0
163.14867	2.7
171.11755	2.3
173.13194	5.8
175.14867	3.8
177.12778	4.2
177.16374	1.2
179.14304	46.5
179.15855	2.8
185.13243	1.4
186.55162	1.4
187.14865	2.5
189.16437	1.9
193.15923	2.1
199.14793	1.4
201.16507	1.4
203.18037	1.7
205.15846	2.7
213.16437	2.2
215.17943	2.7
217.19525	1.8
229.19579	1.9
239.69376	1.2
275.20016	4.3
293.21179	2.2
303.26910	5.5
305.27277	1.2
331.26273	42.4
349.27322	11.2
367.24881	2.6
405.30066	2.2
405.35175	1.9
423.31088	100.0
423.36203	9.5
424.31088	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46830	3.4
51.46594	3.6
52.46806	3.4
55.05510	24.2
57.07057	10.4
64.84811	3.7
67.05500	36.1
69.07066	44.2
69.45213	22.1
75.10339	3.3
79.05489	18.6
81.07055	89.8
81.91128	3.5
82.07392	3.7
83.08624	22.5
89.49765	4.2
91.05467	19.8
91.20994	3.8
93.07041	58.0
95.08606	100.0
97.10172	12.9
105.07035	26.2
107.08595	63.9
109.10152	89.7
116.87656	3.9
119.08596	32.9
120.59044	3.4
121.10144	64.6
123.11691	56.5
131.08536	7.8
133.10138	25.4
135.11681	35.9
137.13229	16.1
145.10139	13.4
147.11688	22.3
149.13245	31.2
151.14799	4.7
159.11714	15.3
161.13232	19.3
161.85730	4.5
163.14819	39.0
173.13217	10.5
175.14822	13.7
177.16380	18.6
179.14319	5.3
187.14850	11.1
189.16376	17.5
191.17934	46.5
201.16324	5.1
203.17957	26.6
205.19550	10.7
217.19484	18.3
231.21022	6.4
257.22702	16.1
358.68188	4.7
393.30646	3.9
423.30905	10.4
423.40030	82.7
423.45560	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	424.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	1.7
55.05524	1.6
57.03442	1.4
61.02921	2.7
67.05503	2.7
69.03412	3.4
69.43681	6.1
69.44081	2.9
70.06591	1.9
72.08158	1.1
76.39626	1.2
76.60490	1.1
79.05477	2.1
81.03423	1.8
81.07053	2.2
83.04994	1.3
85.02914	13.2
85.06556	1.3
86.09701	2.8
91.05492	8.2
93.07051	9.5
95.04948	1.7
95.08569	1.7
96.03889	1.2
97.02883	5.3
97.06529	1.3
99.04437	1.7
103.05474	6.6
105.01754	1.3
107.04963	9.9
109.02853	1.5
119.08575	1.3
121.02874	1.8
121.06505	51.5
122.06789	1.4
123.04433	1.5
123.08079	1.9
127.03923	3.2
133.06464	1.7
137.05974	22.0
138.06754	1.9
139.07581	1.6
141.06995	10.6
145.04953	3.5
151.03912	1.2
151.06317	1.4
151.07549	27.2
213.09117	1.8
245.11742	100.0
246.12035	2.4
251.07379	1.3
262.10883	1.5
294.11023	1.4
299.05466	1.8
313.06943	2.2
315.04434	2.0
329.06400	2.0
330.06851	6.1
424.11011	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	424.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
56.05019	3.1
63.46894	1.0
69.68816	1.1
70.06598	7.2
71.48368	1.1
72.08163	7.9
73.08486	1.8
79.56896	1.0
83.08623	1.5
84.04506	26.1
84.08142	3.4
85.02889	2.6
86.09710	54.0
91.05477	12.7
95.04966	2.5
97.18699	1.0
102.05535	10.0
107.04959	7.7
107.08578	1.3
118.06448	1.0
119.04945	12.3
120.08098	5.5
121.08412	2.0
121.10148	1.2
125.07109	1.8
129.10213	1.6
129.74086	1.3
132.09229	2.0
132.10214	36.1
135.06769	4.2
135.07796	1.0
136.07585	100.0
137.07875	1.9
138.09087	1.0
147.04410	1.5
147.30772	1.0
151.11205	1.0
153.06555	1.3
153.09077	1.9
166.08646	1.8
167.14354	2.0
173.13089	1.2
174.09140	1.1
201.12184	1.0
202.08621	16.3
209.15370	6.4
220.09729	5.8
227.12805	1.2
234.11287	1.1
241.09604	1.6
244.09547	1.5
247.10794	30.2
263.13901	2.2
265.11835	29.9
275.10205	6.5
293.11093	4.6
295.16577	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00935	4.1
54.74385	4.7
55.05504	11.4
70.06603	11.7
71.22030	5.6
71.22379	4.3
72.08163	6.5
81.07054	9.9
83.04997	10.8
83.08622	8.0
83.98353	4.3
84.08121	4.4
86.09700	21.5
93.07046	14.7
95.04987	10.2
97.06552	4.7
100.97289	4.1
105.07021	5.1
106.87489	4.4
107.08593	20.6
109.06513	5.3
115.07555	8.5
121.10155	45.2
129.10291	5.6
131.08588	5.5
142.18605	4.9
147.11617	5.5
151.11201	10.8
163.14844	12.0
167.14322	15.1
173.13327	11.5
191.14334	16.5
209.13486	9.8
209.15376	100.0
215.13948	11.0
227.16383	6.7
262.11142	7.1
326.79562	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71425	2.1
60.04512	2.2
67.05476	2.3
69.07059	2.1
70.06591	20.1
71.04973	4.8
71.06913	3.0
71.21696	3.3
72.08144	8.2
79.05489	3.4
81.07039	4.9
84.04488	6.0
84.08122	7.0
85.02900	5.2
85.06506	2.8
86.09701	15.1
91.05457	4.0
93.07038	6.4
94.11040	2.0
95.04942	2.4
95.08592	8.6
105.07038	22.0
107.04942	3.4
107.08593	12.1
107.59191	2.3
109.06497	3.5
109.10138	2.6
110.07166	2.9
119.08579	11.2
120.08096	6.2
121.10149	100.0
123.11714	2.7
129.10228	4.4
131.08583	8.5
133.10143	22.8
135.11678	7.1
136.07579	6.9
147.11694	21.0
163.14832	2.5
165.12735	11.0
173.13258	22.1
182.08185	2.4
191.14314	26.3
209.15364	7.5
213.12364	3.5
220.15154	2.2
227.16461	3.9
229.01270	2.5
242.30128	2.1
244.09592	4.0
262.10654	4.1
311.17841	2.5
354.44144	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	424.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
56.05037	2.2
57.03434	1.2
61.80856	1.0
67.05507	1.5
69.07054	1.5
69.35545	8.2
70.06582	5.8
71.05006	1.4
72.08158	7.5
75.01839	1.0
81.07047	2.3
81.46227	1.0
83.04968	1.1
83.08606	2.8
83.94268	1.1
84.04509	28.0
84.08145	2.7
85.02899	3.8
86.09709	51.1
87.10046	1.4
91.05492	13.9
93.07034	2.0
95.04980	6.8
97.06554	1.3
98.20706	2.1
99.04430	2.3
102.05547	8.9
107.04972	9.8
107.08611	1.5
109.10151	1.8
110.09655	1.1
119.04945	13.4
120.05248	1.5
120.08134	5.6
121.08395	2.8
124.07561	1.2
125.07078	1.3
129.10260	2.6
131.04903	1.0
132.10213	36.9
135.06816	2.9
136.07584	100.0
137.07903	3.0
138.09109	5.6
146.06013	1.6
147.04501	1.4
148.07600	1.7
151.11145	1.9
153.06586	2.0
153.09116	3.5
160.07611	1.9
166.08644	5.3
167.14279	2.9
173.12935	1.7
174.09192	1.7
175.03415	1.2
191.14336	1.3
199.21790	1.2
201.12308	2.0
202.08664	16.1
208.11447	1.1
209.15370	16.7
220.09706	4.1
227.12685	1.4
227.16428	2.1
244.09637	3.7
247.10777	25.8
259.19562	1.0
262.10718	2.8
262.14005	1.2
263.13998	3.5
265.11850	29.0
266.12061	1.3
275.10309	4.6
293.11331	4.4
295.16620	6.3
406.13425	1.2
424.15701	1.5
445.94556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05514	3.8
56.05038	5.1
57.03442	0.9
57.07082	2.1
60.04529	73.7
67.05513	5.1
68.05847	0.9
69.07069	4.6
69.66871	1.3
69.67286	1.9
70.06612	1.2
71.04997	0.8
71.08636	1.6
72.04515	1.1
74.06082	1.6
75.82860	0.6
79.05492	4.6
81.03449	0.7
81.07066	5.4
82.10275	0.5
83.04987	0.7
83.08627	3.1
86.06087	1.3
91.05514	0.8
93.07048	2.4
95.04980	1.1
95.08607	4.9
96.08086	0.5
97.06532	0.6
97.10187	1.2
105.04530	1.2
105.07010	0.9
107.04961	100.0
107.08585	1.4
108.05325	0.8
109.06504	0.7
109.10176	3.1
110.28069	0.5
119.08659	0.5
121.10169	1.8
121.47697	0.5
123.08070	1.5
124.08428	1.0
133.10066	0.7
135.08066	0.9
179.14359	1.3
180.14632	1.3
209.22890	0.6
223.52934	0.6
252.26834	1.5
264.26816	2.2
270.27966	2.4
282.27933	11.3
282.31055	0.8
294.71765	0.6
300.29007	15.6
318.30042	87.0
319.30292	1.5
332.26831	1.3
350.27988	0.7
424.34641	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42862	1.0
51.85406	1.1
56.96563	8.6
69.03418	2.1
69.07056	1.0
69.60682	2.1
69.61096	4.3
70.06606	5.8
70.98112	1.8
74.93164	2.1
81.03422	1.7
82.99866	4.3
84.08142	6.8
84.96004	2.0
85.02898	3.0
97.02881	3.1
98.21440	1.3
98.97590	24.9
101.00890	21.7
101.06075	1.1
105.01978	1.1
106.69720	1.0
107.04979	6.1
109.96953	1.0
110.07139	2.9
110.97588	6.3
113.00883	4.9
115.02441	1.2
116.98621	5.3
118.92155	1.0
119.01936	20.6
127.02424	4.0
128.98608	4.5
129.10202	1.6
131.00119	1.1
131.01907	9.9
133.03377	1.2
136.06213	1.5
136.07536	1.6
136.93100	1.1
139.02422	3.4
140.98604	1.8
143.00166	2.1
143.01906	43.7
145.01755	1.6
145.03479	9.2
146.99704	2.3
147.01341	1.7
152.05711	3.1
155.01891	19.8
156.98021	1.5
157.01700	1.4
157.03499	8.5
158.99648	5.5
160.99358	1.3
161.02965	43.5
167.01915	11.8
169.03484	3.0
170.99678	2.0
171.05035	2.0
172.86378	1.9
172.97577	4.3
173.01465	1.3
173.02977	19.5
173.04451	1.0
175.04543	1.5
177.00743	4.7
179.01900	6.1
185.02959	34.8
187.04518	3.1
190.87445	2.3
191.03957	4.2
194.97293	2.2
197.02992	13.4
201.00757	2.3
203.04018	15.4
205.00211	1.7
208.88542	2.4
209.02924	1.6
211.04828	1.5
213.12370	2.3
215.04015	5.8
219.01799	8.2
221.03172	1.4
221.05060	3.0
223.04898	1.1
227.03964	9.8
232.99458	1.4
237.02945	6.0
239.04289	1.6
245.05080	100.0
246.05226	2.1
248.91739	1.8
257.05103	7.7
263.00705	2.0
263.06180	26.2
275.06210	14.2
279.03757	1.5
281.01807	3.1
288.99353	1.2
291.07401	1.2
293.07083	3.1
305.01816	3.3
305.07190	10.1
309.08484	3.0
317.07202	2.2
319.12457	1.8
321.08725	1.4
323.02899	2.6
335.08047	3.3
365.09293	4.5
411.05099	1.2
425.06683	2.0
425.11435	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	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91163	0.7
56.43581	0.7
56.96567	2.6
62.85832	0.8
68.83712	0.9
70.06591	2.2
70.98119	0.8
82.99857	2.5
85.02912	1.2
97.02885	1.4
97.94832	0.8
98.97592	5.7
101.00888	20.4
107.00568	0.9
107.04980	1.0
110.97569	1.0
113.00873	4.8
115.02467	1.4
116.98643	1.1
119.01933	13.7
127.02445	4.9
128.98586	1.2
129.00389	0.8
129.04001	1.2
131.01926	6.9
137.02980	0.9
139.02399	2.4
143.01912	41.2
145.03464	9.8
147.01404	1.1
153.04045	1.0
155.01907	18.0
157.03467	7.3
158.99687	1.3
161.02969	36.0
167.01918	11.5
169.03453	4.3
171.05069	2.3
172.97606	1.8
173.02986	15.7
175.04530	1.7
176.96187	0.8
179.01944	5.4
184.04553	0.8
185.02974	29.9
186.03319	1.2
187.04521	4.4
190.98589	0.8
191.04022	2.8
197.02988	13.1
199.04576	1.1
203.03999	14.3
205.05447	1.2
209.02962	1.4
214.98595	1.3
215.04001	7.0
217.05579	0.8
218.03670	0.9
219.01833	2.2
221.04980	1.5
227.04031	9.5
232.99745	1.3
237.02846	1.1
238.53453	0.9
245.05093	100.0
246.05309	1.5
257.05029	6.9
263.00903	1.3
263.06168	21.5
275.06125	13.4
281.01868	2.2
293.07190	3.6
305.01849	2.8
305.07156	8.9
307.08731	1.4
323.02768	1.5
333.23901	0.9
335.08224	2.2
365.09363	5.6
425.11639	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	425.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79238	0.3
53.03944	0.4
53.52438	0.3
53.83556	0.3
55.05513	0.8
57.07080	0.4
63.02074	0.3
63.02384	0.8
67.05498	1.4
69.03428	0.6
69.07065	1.1
69.84246	1.1
69.84665	0.7
71.08581	0.3
78.04697	0.6
79.05489	1.1
79.05929	0.3
81.03410	0.3
81.07066	2.3
83.08618	0.7
85.99812	0.3
89.03916	11.1
91.05488	1.8
93.07065	1.2
95.04991	0.4
95.08608	1.6
95.23242	0.4
97.02899	0.4
97.06537	0.6
103.05466	0.6
105.07034	1.0
106.04184	1.0
107.04955	0.8
107.08624	1.1
109.10171	1.5
114.80143	0.3
117.03383	30.2
117.07029	0.3
119.04983	0.3
119.08572	1.2
121.06581	0.5
121.10138	0.8
129.06998	0.5
131.04922	0.7
131.08543	0.7
133.10150	1.1
134.03624	2.0
135.04414	1.0
135.11612	0.6
137.06012	1.9
141.06987	0.4
142.07829	0.3
143.08551	0.5
145.02850	63.4
145.10103	0.7
146.03214	0.9
147.11699	0.6
149.05984	8.7
149.13258	0.5
151.07545	0.7
159.08086	0.4
159.11687	0.6
161.13287	0.4
163.03899	0.5
165.09111	2.3
170.07249	1.3
171.11768	0.4
175.11206	0.4
177.05472	100.0
178.05836	1.4
185.06190	0.3
186.05508	2.2
205.12288	0.4
219.10103	0.7
231.10153	2.4
241.08781	0.4
249.11171	1.5
310.60770	0.3
407.25317	0.3
425.15021	0.4
425.25281	0.9
425.34280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1746
Annotation	Riccardin B
Peak:m/z	Relative Intensity
53.03946	2.8
54.71073	1.2
55.01865	3.5
55.41224	1.3
65.03960	2.3
70.14491	5.3
72.34448	1.2
79.05488	3.1
90.35336	1.3
91.05488	24.0
93.07045	4.3
95.04953	4.1
98.20881	1.4
103.05466	1.3
105.07033	2.4
107.04958	100.0
115.05433	2.5
117.39066	1.2
119.04943	24.4
121.02863	5.7
121.06509	37.2
129.07019	1.6
131.04930	4.2
136.07588	4.6
137.06009	6.5
141.06990	4.7
143.08522	1.6
152.06128	2.2
152.07187	1.8
152.75388	1.2
153.06999	13.2
154.07756	3.6
155.08537	12.1
157.06485	2.7
158.44019	1.1
164.07086	2.8
165.07007	33.0
166.07785	3.5
167.08664	2.8
168.05724	5.2
169.06494	3.2
169.10136	3.8
175.14886	1.4
177.07039	1.3
178.07790	2.7
179.08527	7.6
181.06447	9.2
182.07198	6.3
183.08054	25.1
193.06487	4.7
194.07196	2.2
195.08047	2.9
197.05984	6.2
197.09703	9.3
198.06679	1.8
199.07547	3.8
207.08089	3.5
209.06035	3.7
210.06770	3.2
211.07550	85.6
212.07964	2.7
213.09105	31.6
213.11014	2.0
224.56032	1.3
225.09117	28.9
227.10710	2.3
237.09093	5.2
238.09413	1.0
245.83389	1.4
284.08469	1.3
287.13837	1.5
299.10727	4.6
305.11737	24.1
313.12289	4.3
317.11688	20.8
319.13297	20.6
331.13290	17.1
364.86053	1.4
402.61270	1.5
407.16656	2.9
424.30624	1.4
425.17484	51.9
426.17682	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	425.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35654	0.4
55.05515	0.6
56.05038	0.8
68.05054	0.6
69.07060	1.9
69.45734	0.5
69.88113	1.1
69.88512	0.8
70.06593	100.0
72.08154	4.4
81.07051	1.0
84.04503	0.9
84.08141	0.8
85.02882	0.6
86.09705	18.7
88.25835	0.4
91.05498	1.3
98.21500	0.9
100.07640	1.3
104.05331	1.5
105.21242	0.5
107.04956	5.7
109.05211	0.5
116.07095	17.4
120.08123	1.9
137.05965	0.9
141.17676	0.7
169.13367	48.8
180.87943	0.5
185.16475	0.7
197.12857	53.1
198.13231	1.2
213.09251	0.7
213.16119	0.5
225.09233	1.1
229.15469	13.5
236.18887	0.5
245.13040	0.5
246.11278	0.6
260.10690	0.7
263.14023	0.8
310.21252	22.1
311.21558	0.5
420.05850	0.6
425.15738	13.9
425.27386	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	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07186	3.5
53.03949	7.6
55.01862	6.0
55.05511	33.6
57.03431	11.0
57.07084	18.2
65.27641	3.8
67.05504	98.1
69.03411	13.7
69.06792	3.2
69.07063	35.1
71.04997	9.5
71.08616	8.5
71.48571	3.6
71.71284	4.2
73.02888	9.9
79.05498	38.3
81.03412	13.0
81.07057	100.0
83.04935	5.4
83.08625	18.3
85.02899	9.9
85.06538	7.9
89.06022	10.8
91.05474	24.3
93.07032	38.4
95.04974	5.7
95.08064	6.3
95.08606	74.1
97.02898	96.1
97.06529	8.9
97.10170	12.2
99.04451	47.0
99.08055	5.3
105.07051	22.4
105.07685	4.2
107.04932	4.4
107.08598	20.3
109.02853	15.4
109.06558	6.7
109.10162	27.6
117.07073	6.3
119.08564	19.1
121.10109	19.4
123.08055	6.1
123.11720	21.4
125.09549	4.7
127.03929	30.4
131.08522	7.2
133.08578	4.6
133.10107	20.0
135.08026	4.7
135.11684	14.5
137.09573	3.8
137.13208	8.0
143.08565	6.2
145.04950	10.7
145.10085	10.0
147.11667	9.2
149.13184	8.8
159.11726	6.5
161.13226	13.1
163.14818	8.3
165.16389	4.3
169.30457	4.0
175.14813	9.7
179.14276	6.9
183.11890	4.4
201.16284	4.3
245.22696	10.6
262.59906	4.2
263.23642	32.8
315.12363	5.4
315.34283	3.7
333.13199	7.7
333.27277	8.9
369.47815	4.1
408.34119	6.2
413.57175	4.8
425.18060	6.4
425.30960	8.0
425.34247	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05511	8.8
56.69900	1.3
57.07066	4.2
67.05510	10.2
69.07079	10.4
69.24561	11.2
70.86337	1.2
71.04984	9.3
71.08614	1.4
79.05499	6.7
81.07057	17.4
83.08633	4.6
85.50184	1.3
89.06014	1.7
91.05473	6.0
91.53094	1.3
93.07051	11.2
94.07391	1.2
95.08602	17.8
97.06521	1.9
97.10166	3.1
99.08086	2.1
105.07030	11.4
107.08594	17.8
109.10160	16.8
111.08086	2.9
112.04677	1.2
113.09659	5.9
117.07005	2.6
119.08588	13.9
121.10135	16.1
123.08068	5.3
123.11739	10.3
125.09653	2.6
131.08585	7.5
133.10101	11.6
133.74286	1.3
135.10840	1.3
135.11662	7.0
137.13243	1.6
139.11203	2.1
139.25829	1.5
141.12712	2.1
143.08553	3.3
145.10146	12.1
147.11729	8.6
149.09633	1.5
149.13287	6.6
151.07700	1.5
151.11235	2.9
155.08566	2.4
157.10152	5.0
159.11720	8.3
161.09621	1.5
161.13229	6.3
163.14850	3.7
165.12799	2.9
169.10225	3.7
171.11720	6.3
173.13213	6.9
173.61920	1.4
175.14867	4.3
179.14401	2.9
183.11723	1.8
185.13292	7.1
187.14804	7.4
189.12744	1.9
189.16429	3.6
197.13304	2.5
199.14870	3.7
201.12752	2.0
201.16466	3.7
203.18007	1.5
205.15915	1.5
211.14909	2.4
213.16350	3.6
215.14384	2.4
215.17908	2.1
223.14973	1.4
225.16446	1.6
227.18013	2.4
229.19673	2.0
231.17442	2.5
231.74756	1.4
239.17989	3.3
243.20889	1.4
245.19019	3.0
252.12143	1.6
253.19662	3.1
257.19135	2.1
271.20569	1.7
278.64639	1.4
285.22366	1.8
295.24127	2.4
309.22174	2.1
311.23795	2.6
313.25278	3.1
339.26852	11.1
365.19296	1.8
407.33170	7.7
425.21613	3.0
425.34186	100.0
426.34274	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	425.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
55.05510	31.5
57.07064	11.8
58.09803	4.9
67.05237	4.6
67.05505	48.8
69.07069	35.5
71.04972	16.7
71.08610	7.7
71.48720	5.5
79.05511	33.2
81.07051	91.5
83.08614	17.0
85.02897	7.7
85.06531	6.5
88.70225	5.0
89.06028	40.5
89.16846	5.5
90.06348	6.3
91.05494	27.9
93.07050	69.8
95.04988	12.7
95.08604	96.4
97.06512	11.0
97.10146	8.8
97.43372	4.4
99.08115	6.8
105.07031	59.6
107.04931	7.4
107.08601	77.0
109.06501	18.1
109.10155	51.4
111.08075	15.8
113.09662	5.2
115.05409	5.1
117.07007	18.6
119.08591	52.2
121.10168	52.8
123.08065	24.6
123.11694	23.9
127.11201	45.5
129.07045	6.3
131.08603	29.0
133.08580	21.1
133.10118	39.8
134.08931	5.7
135.08054	14.3
135.11688	34.9
137.09660	10.9
137.13254	6.0
141.07016	5.5
143.08569	11.0
145.10115	33.2
147.11667	32.7
149.09657	6.5
149.13268	28.4
151.07536	15.0
155.08641	6.1
157.10121	13.1
159.11713	35.6
161.13277	19.8
163.14799	22.6
167.07082	23.7
169.10158	9.1
171.11685	7.8
173.13258	22.1
175.11195	6.1
175.14793	15.1
177.12772	5.4
177.16435	6.6
179.14296	19.3
181.10146	6.8
183.11700	6.4
185.13258	14.3
187.14787	15.5
189.16377	12.6
191.17938	12.1
195.11633	5.9
201.16367	12.8
203.17889	8.8
209.13145	5.5
211.14757	10.6
213.16420	10.2
217.19533	18.4
229.19550	5.6
239.14905	20.1
239.17842	6.6
240.15170	17.4
257.22592	10.0
265.19415	6.2
268.16800	5.0
277.21692	9.0
333.13202	17.3
333.27890	75.3
351.28809	14.3
351.93655	6.1
365.19318	11.5
407.33148	26.1
425.21265	35.0
425.33173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03943	3.3
55.05515	24.0
56.73663	2.1
57.07081	12.0
67.05508	40.2
69.07068	36.2
71.08629	3.6
79.05492	20.0
80.01177	2.3
80.87247	2.2
81.03427	4.0
81.07056	64.2
83.08620	18.2
85.48329	2.2
89.06010	3.3
91.05491	18.9
93.07047	48.4
95.04991	2.2
95.08609	100.0
97.06526	6.0
97.10209	11.2
98.21515	5.5
99.08102	3.1
105.07032	39.4
105.19893	2.2
107.08595	70.0
109.00012	2.5
109.10158	72.5
111.08083	3.4
111.11735	5.6
117.07030	7.5
119.08585	49.3
121.10146	57.3
122.10467	2.8
123.08076	2.2
123.11710	30.1
125.09650	4.0
125.13276	2.3
127.11150	3.5
129.06992	2.7
131.08572	10.8
133.10132	32.2
135.11694	42.4
137.13258	13.6
142.18755	2.3
143.08533	3.4
145.10144	18.7
147.11708	33.9
149.13257	37.6
157.10094	2.9
159.11688	18.0
161.13266	25.1
163.14851	16.9
165.12767	2.3
171.11714	3.6
173.13277	15.1
175.14845	18.3
177.16354	9.6
179.14301	4.6
185.13214	3.0
187.14851	10.3
189.16386	20.3
191.17979	35.1
193.19585	3.0
199.14958	3.4
201.16397	18.6
203.17938	25.6
205.15910	2.4
205.19479	10.9
211.14839	3.3
213.16452	3.8
215.17934	13.0
217.19508	19.8
219.17514	3.5
219.21078	7.4
227.17964	5.5
229.19489	6.4
231.21107	10.1
241.19537	2.7
243.21106	4.2
257.22647	3.2
269.22766	2.6
271.24365	3.3
273.21765	2.3
297.25809	5.0
315.26917	2.8
358.71881	2.2
397.87927	2.2
407.36765	26.2
425.37939	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.62193	2.4
53.03937	4.2
53.31424	2.6
55.05510	21.7
57.07077	13.9
59.32418	2.4
62.09096	3.0
67.05508	35.9
69.07063	39.2
69.62739	17.0
70.38306	2.9
71.08607	3.5
79.05495	23.7
81.07052	82.1
81.53641	2.4
83.08623	18.1
84.71271	2.8
89.06011	3.3
91.05489	26.8
93.07043	51.1
94.34997	2.8
94.35595	2.6
95.08606	100.0
97.06526	6.0
97.10153	13.1
100.80991	3.0
105.07034	34.6
107.08588	71.8
109.10155	85.7
111.08073	5.1
111.11695	6.0
117.07033	4.6
119.08582	46.1
121.10144	63.6
123.08063	3.7
123.11696	36.5
125.09644	4.6
131.08589	10.9
133.10133	36.2
135.11703	40.3
137.13252	12.5
143.08623	2.9
145.10109	16.9
147.11679	39.2
149.13261	42.5
151.11209	2.7
157.10117	5.1
159.11687	20.8
161.13260	22.6
163.14827	23.6
165.16412	3.7
171.11638	4.3
173.13284	15.9
175.14856	18.0
177.16354	10.9
179.14362	2.9
185.13248	4.4
187.14799	12.1
189.16418	18.4
191.17960	25.3
199.14777	6.2
201.16431	15.0
203.17941	24.7
205.15866	3.3
205.19514	9.1
213.16374	4.2
215.17935	10.3
217.19514	22.7
219.17363	3.8
219.21129	4.2
229.19521	6.8
231.21036	3.6
241.19681	3.3
245.22701	4.3
255.20938	4.2
259.24548	3.7
270.22711	3.3
271.24106	11.0
283.24191	3.1
285.25769	8.5
297.25815	3.3
315.26666	4.5
331.83441	3.2
339.30368	4.2
354.77475	3.2
390.11554	2.6
407.36823	24.1
425.26740	7.4
425.32434	4.4
425.37878	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	19.3
57.07085	16.8
67.05504	38.0
69.07072	47.0
71.04981	7.1
71.08637	4.4
71.20325	5.0
75.01163	2.4
79.05497	27.2
81.06595	4.8
81.07058	90.2
83.04973	3.1
83.08630	18.8
85.67645	2.6
86.98923	2.6
89.06030	4.7
91.05481	22.2
93.07051	51.1
95.04948	3.5
95.08611	100.0
96.08970	2.7
97.06493	2.6
97.10162	13.4
99.08105	4.7
105.07037	39.6
107.08595	65.1
108.08897	3.0
109.10161	71.9
111.11728	7.5
117.07000	5.0
119.08583	48.3
121.10143	60.3
123.08086	3.1
123.11716	29.6
125.09622	3.3
127.11209	13.4
129.06992	2.6
131.08556	12.6
132.56006	2.4
133.10135	42.3
135.11687	50.8
137.13298	17.5
141.24278	2.3
143.08530	3.5
144.09300	2.7
145.10121	21.2
146.10454	2.5
147.11714	34.8
149.13271	27.5
151.14861	2.9
151.85762	2.5
153.12711	2.3
157.10129	9.3
159.11691	28.2
161.13280	26.2
163.14824	14.4
165.09116	2.9
169.10236	3.2
171.11662	9.0
173.13297	21.4
174.13727	2.6
175.14836	23.4
177.16422	22.6
185.13286	5.8
187.14879	16.5
189.16399	20.2
191.17935	11.4
195.17468	4.4
199.14769	4.8
201.16360	13.1
203.17947	23.6
205.19647	2.8
213.16455	4.7
215.17891	12.3
217.19482	19.1
227.17897	4.1
229.19534	14.6
231.21104	7.1
241.19676	3.0
243.21109	4.7
245.22891	2.6
255.21082	2.9
257.22696	7.2
269.22610	3.3
271.23981	3.6
283.24133	3.0
285.25833	8.6
339.30460	5.4
407.36740	20.1
425.21185	2.4
425.33145	4.5
425.37762	87.4
426.38226	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.23148	4.2
52.86202	4.2
55.05521	29.9
57.07069	19.0
67.05518	46.9
69.07077	63.4
69.57439	4.8
71.08649	9.6
71.40408	5.9
71.40739	6.0
79.05508	22.8
81.07062	86.4
83.08630	31.9
85.49987	4.9
89.06051	8.9
91.05496	23.6
93.07044	48.2
93.81615	4.8
94.86805	4.6
95.08611	100.0
96.42551	4.5
97.10182	14.5
105.07046	53.5
107.08598	68.6
109.06545	6.5
109.10155	82.3
109.71609	5.4
111.11749	10.0
117.07038	7.0
119.08584	55.9
121.10137	60.4
123.08050	9.3
123.11747	25.4
129.07028	5.3
131.08559	18.8
133.10136	43.7
135.11674	36.6
137.09641	8.1
137.13240	15.2
143.08586	12.4
145.10165	29.6
147.11655	36.9
149.13258	23.9
155.08586	7.3
157.10164	12.6
159.11717	24.7
161.13271	30.0
163.14828	18.6
163.20927	5.7
165.09169	12.2
171.11671	8.9
173.13271	19.7
175.14845	23.2
177.16403	11.7
179.14362	5.1
181.14980	5.0
185.13278	11.3
187.14847	26.0
189.16414	15.3
191.17976	15.2
199.14848	5.3
201.16406	14.4
203.17976	15.3
213.16357	7.9
215.18040	13.4
217.19556	13.8
227.18007	12.3
229.19533	9.8
231.21088	6.3
241.19481	6.8
247.20532	5.6
255.21284	8.1
267.20868	4.8
269.22589	7.3
285.25851	4.7
297.25803	5.8
301.29095	4.7
313.25189	4.6
315.27032	5.2
407.36951	28.5
425.22180	7.8
425.33081	19.9
425.37787	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.34955	1.9
53.03944	3.7
55.05515	20.3
57.07084	14.9
64.99469	1.5
65.03953	2.3
65.22488	1.8
67.05507	39.0
67.05843	3.1
69.07073	43.4
71.08636	3.8
71.48869	2.0
79.05495	28.7
81.07059	100.0
83.05011	2.0
83.08618	18.9
85.06544	4.0
85.10191	2.3
89.06052	3.1
91.05482	16.6
93.07047	44.9
95.04996	1.8
95.08611	96.5
97.06545	4.1
97.10191	9.9
99.08116	2.3
105.07039	32.5
107.08597	44.4
109.06571	2.2
109.10165	51.3
111.08124	2.8
111.11745	6.8
117.07050	2.1
119.08583	29.4
121.10150	38.0
121.10943	3.1
123.08106	4.1
123.11720	27.0
124.08385	2.4
125.09677	2.1
125.13325	2.1
131.08618	11.9
133.10132	27.3
135.11700	32.6
137.09621	3.7
137.13274	14.0
143.08603	4.7
145.10135	14.4
147.11716	21.9
149.13275	22.9
151.11086	2.2
151.14838	3.1
157.10155	5.6
159.11708	14.0
161.13284	15.1
163.14870	11.3
171.11752	6.2
173.13251	12.5
175.14859	10.6
177.16441	8.2
179.14362	2.3
185.13290	5.3
187.14804	11.9
189.16425	9.1
191.17978	5.5
199.14961	6.6
201.16429	8.1
203.17912	9.4
205.15927	1.9
205.19550	2.6
213.16464	8.1
215.17995	6.0
217.19632	6.1
227.17940	4.3
229.19684	3.9
231.21121	2.8
233.19037	3.4
241.19565	2.3
255.21004	3.3
257.22662	3.9
269.22797	3.7
271.24356	4.2
283.24222	4.0
285.25974	2.8
297.25818	2.8
325.29089	2.7
333.27139	2.7
355.29755	1.8
369.31812	2.7
407.36926	19.6
425.32990	7.5
425.37994	78.2
426.38293	3.8
442.40494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05518	12.9
57.07072	8.6
58.78755	2.3
67.05513	29.9
69.07070	26.0
71.08647	2.4
71.22785	4.1
72.08144	9.7
72.14317	2.1
75.61835	2.3
79.05498	13.7
81.07059	45.2
83.08623	12.8
85.06525	3.6
86.09713	7.1
88.11275	3.2
89.06057	2.9
91.05468	14.0
93.07047	41.7
95.08611	100.0
97.10181	4.8
99.08100	20.0
105.07030	26.2
107.08600	62.0
109.06498	3.2
109.10159	68.4
111.11723	4.6
117.06949	2.5
119.08578	38.3
121.10158	58.7
123.11713	21.4
127.11192	20.6
131.08586	6.7
133.10143	32.6
135.11691	38.4
137.13297	7.0
143.08501	2.9
145.10136	10.1
147.11707	32.9
149.13275	36.0
159.11682	11.5
161.13275	27.4
163.14832	20.1
173.13252	6.8
175.14850	13.7
177.00024	2.0
177.16402	7.0
185.56059	2.3
187.14908	4.5
189.16386	16.5
190.50728	2.2
191.16206	5.2
191.17952	99.8
201.16406	6.5
203.17986	26.3
205.19511	7.7
215.18027	5.4
217.19534	26.6
221.19048	8.4
229.19420	3.2
233.18980	8.0
235.20628	6.2
235.72569	2.3
241.93109	2.6
243.21068	4.6
257.22614	5.4
425.33304	3.5
425.37961	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	426.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27156	0.5
60.04518	0.6
65.03954	1.6
67.05510	8.5
68.05023	0.8
69.03429	1.3
69.07069	2.8
70.06597	100.0
70.12513	1.8
70.12936	1.0
71.06952	0.7
72.08160	2.3
74.04932	0.5
77.67488	0.6
79.48029	0.5
81.03420	1.3
82.48351	0.5
84.04525	0.7
84.08154	3.7
85.02925	0.8
86.09723	2.9
91.05487	15.0
94.06591	2.3
95.04976	9.0
95.06137	0.6
97.02894	1.1
98.20907	0.6
107.04945	3.2
109.02887	0.7
110.06078	0.8
110.07211	0.6
112.07614	19.5
112.08379	1.1
114.05547	0.9
120.08182	1.7
123.04418	0.7
124.07611	0.7
127.03932	1.1
129.10255	1.0
130.08699	1.8
132.04494	0.9
136.07620	1.1
138.09152	1.0
145.04958	0.7
148.07603	0.6
154.08633	1.2
160.07619	2.2
166.08691	0.7
172.09747	1.2
173.12930	1.2
178.08731	0.8
201.12422	0.9
238.10683	3.6
246.11214	0.5
247.14491	0.6
256.11761	4.0
264.12161	0.8
264.14548	1.0
274.12851	12.3
300.10910	1.8
318.11920	1.1
382.18643	6.0
426.17328	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	426.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
67.05515	1.9
68.57809	1.5
69.07081	14.6
69.07430	2.2
70.73135	3.2
75.66265	1.3
79.05508	13.2
97.06539	90.6
99.72031	1.3
116.10728	1.6
123.04440	65.1
132.34726	1.3
214.18047	3.2
219.10175	100.0
220.10393	1.9
297.97827	1.5
328.24765	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	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53871	0.3
55.05520	1.7
57.07067	0.6
62.06079	1.0
63.74702	0.3
67.05492	1.1
69.07072	2.1
69.36039	1.3
69.36462	1.4
70.06593	0.6
71.08300	0.4
71.08637	5.2
72.08144	0.5
79.05477	1.0
81.07069	2.5
83.08637	1.7
83.62101	0.4
84.08145	1.7
86.06078	3.1
93.07047	1.3
95.08606	2.3
96.08141	2.2
96.35237	0.4
97.06528	1.3
98.06054	0.8
98.09682	2.8
99.08098	2.6
105.07043	0.6
107.04934	0.8
107.08585	1.0
108.08096	1.5
109.10159	0.5
110.09683	0.5
111.08058	0.5
113.08416	0.5
113.73621	0.4
116.10738	16.9
122.09655	1.3
123.04435	0.6
124.07516	0.4
126.09151	0.5
136.11122	0.5
140.10701	0.9
141.80417	0.4
143.10661	2.2
149.13271	1.0
154.15938	3.3
163.50009	0.3
164.14365	0.8
166.15892	2.3
168.17436	1.0
178.15932	1.1
196.15262	0.6
196.16982	8.3
214.18030	100.0
215.18329	1.0
219.10126	0.6
222.10588	0.4
250.13293	0.3
257.17557	1.9
285.24274	1.2
304.28195	0.5
310.23779	1.3
328.24747	3.2
408.31256	0.7
426.32156	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	427.1727
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
56.16578	2.7
56.96564	4.6
57.36182	2.7
67.05515	8.3
68.04417	3.3
68.05830	3.9
69.16125	26.6
70.06207	5.2
70.06597	100.0
71.06929	21.2
81.03390	3.2
84.08156	4.9
85.02908	5.7
86.09733	4.5
91.05483	12.3
92.05811	4.6
95.04976	10.0
96.05295	4.5
98.97596	13.0
107.04964	37.1
110.07201	3.1
112.07607	11.2
113.07937	8.8
120.08154	3.6
127.03870	2.6
136.07570	4.2
155.74849	2.6
160.07515	4.4
219.01598	2.3
265.11237	2.9
274.12930	5.4
275.13190	10.2
307.12186	3.9
383.18884	8.7
427.17191	55.5
428.17429	3.3
445.17194	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	427.1729
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
54.54289	2.2
58.83007	2.4
63.26036	2.5
70.06577	11.5
71.48521	4.6
72.08137	5.9
81.03376	2.6
81.07037	2.9
84.08105	2.8
85.02895	4.2
86.09691	10.4
91.05486	2.2
98.97586	20.0
107.04948	5.5
107.08572	2.5
108.05254	2.7
113.10150	2.5
116.98625	4.5
120.07274	3.1
120.08099	58.1
124.07554	3.1
133.06160	4.0
135.98453	2.6
156.00690	2.3
184.07315	6.4
189.10204	5.8
219.01759	3.1
219.14871	2.2
237.09103	3.4
241.20631	2.5
247.16933	3.8
252.06465	2.4
267.14893	12.0
302.12656	3.0
303.13181	2.8
307.12073	2.9
409.17014	2.4
427.17316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.0
56.96558	5.1
57.03445	1.2
57.07065	2.1
60.04228	1.4
60.04527	26.3
61.02928	1.1
67.05510	2.8
69.03434	3.4
70.02944	1.8
70.06587	2.0
70.32960	0.5
71.04971	0.9
71.47543	0.8
71.47927	0.6
73.02910	1.7
74.06081	1.4
74.93162	0.6
79.05496	0.7
81.03416	1.2
81.07066	1.1
83.06097	1.1
84.04497	3.3
84.08140	2.2
84.96037	1.8
85.02910	5.7
85.06543	0.8
86.09682	1.0
88.04006	1.2
89.62730	0.5
91.05486	2.5
93.07033	2.4
95.04961	2.0
97.02891	4.1
97.06587	0.6
98.97583	27.3
100.89909	0.6
101.00883	1.1
101.07101	1.0
102.05559	4.6
103.00673	0.8
103.05502	4.7
105.07037	1.4
105.97643	0.6
106.05032	8.9
107.04956	23.1
107.08579	0.6
108.05307	1.3
109.02851	0.6
110.07159	4.1
110.97576	5.2
111.05557	1.8
112.99142	1.2
116.03427	1.1
116.98617	6.8
120.08103	100.0
121.01661	0.6
121.08510	0.8
121.10122	0.7
123.04485	1.1
123.05516	0.6
124.99130	0.8
127.03910	1.6
128.98615	4.2
129.06609	2.9
130.05011	1.0
130.08684	0.6
131.00139	1.1
131.01900	1.0
131.04855	0.6
134.09660	0.9
134.99696	0.7
136.07561	2.5
136.93108	1.1
137.05988	0.9
140.98605	0.7
143.00185	1.4
143.01886	1.2
144.08112	1.0
145.01678	1.0
145.03540	0.6
145.05005	0.8
146.04475	1.8
146.99670	1.2
147.04424	1.4
147.07657	6.3
152.04102	1.2
152.07021	0.6
152.98582	0.7
155.01826	1.0
155.04575	0.8
157.06087	6.4
158.99657	13.5
159.09157	1.4
161.01196	1.0
161.02817	0.7
161.04636	2.1
162.09151	8.4
165.04048	0.9
170.99664	1.7
172.07433	0.6
173.02979	0.9
175.02875	0.8
175.07158	26.0
177.00691	7.4
179.99438	0.6
189.00684	1.7
189.10239	1.8
191.03844	0.7
191.14377	1.1
192.87212	0.6
193.08199	17.9
194.97316	0.9
201.00708	1.3
203.03938	0.8
207.11296	12.1
214.08521	1.0
217.09723	7.1
219.01755	11.3
219.05154	0.7
221.05042	1.7
228.89091	0.6
233.06842	3.1
235.10788	8.9
237.02818	7.9
238.03171	0.6
241.06335	1.2
242.07318	1.8
243.05400	0.8
244.09331	4.4
245.05222	1.2
247.04927	2.8
256.06812	1.2
261.02869	1.6
262.10294	1.4
265.11752	0.7
279.03995	1.1
280.11346	2.4
284.10309	6.1
284.60425	1.4
290.09711	0.9
291.07419	1.9
295.11319	3.5
303.07556	4.0
304.12930	5.7
307.04871	1.7
309.08575	3.6
309.11591	0.7
321.08487	4.6
322.14005	0.9
325.06113	3.0
363.09616	3.5
367.09610	1.4
373.15332	0.6
391.09055	1.3
391.16074	1.4
409.17093	1.3
427.18848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01869	4.5
55.05279	1.5
55.05518	23.1
57.03430	4.7
59.04996	4.7
61.02935	5.8
65.93492	1.1
67.05499	3.5
69.03091	1.9
69.03435	25.6
69.07076	10.7
70.06587	1.6
71.04995	4.5
73.02924	2.9
79.05494	5.4
81.03423	10.9
81.07066	9.3
82.39776	1.2
83.04989	25.4
83.08627	2.6
85.02911	56.3
85.06534	2.2
86.09692	4.1
87.04478	3.3
91.03979	2.2
91.05492	6.7
93.07047	9.8
95.04381	2.1
95.04977	35.5
95.08605	9.1
97.02902	16.4
99.04466	3.9
101.06028	15.8
103.05468	1.1
105.07043	10.7
107.04966	6.6
107.08588	13.7
109.02885	5.5
109.06522	9.9
109.10145	11.8
111.04431	1.9
115.05437	1.2
117.07001	2.2
119.04922	4.0
119.08611	8.9
120.08086	3.0
121.06527	5.2
121.10156	10.3
123.08071	2.2
123.11703	6.7
125.06031	1.5
127.03931	10.7
129.07004	1.4
130.07755	1.4
131.04898	1.7
131.08563	3.9
132.08064	1.1
133.06493	1.4
133.10146	4.6
135.08078	10.9
135.11688	7.5
137.05997	2.0
137.07004	1.1
137.09645	3.1
139.07544	1.0
143.04977	1.4
143.08578	1.6
145.04990	6.8
145.06517	1.0
145.10139	9.2
147.04407	7.0
147.08026	1.3
147.11703	12.1
149.09634	6.2
151.07542	1.7
159.08040	3.7
159.11644	5.1
161.09650	3.9
161.13249	2.5
163.11226	7.9
165.05495	2.7
165.12762	74.7
169.10133	1.3
171.11700	3.6
173.09604	2.9
173.13315	2.7
175.14745	2.3
177.09145	9.5
177.12675	1.5
177.16382	1.1
187.14760	5.1
189.12743	5.6
191.08998	1.5
191.10681	6.8
191.14291	1.6
201.16483	1.8
205.15877	9.7
209.09628	1.5
211.14738	2.0
217.15953	1.5
219.17455	1.6
229.15891	6.8
237.09137	11.3
247.16951	46.9
265.08646	5.3
265.18008	100.0
266.18347	2.4
370.46692	1.1
400.83975	1.1
427.23575	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	427.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05008	1.4
55.01870	2.4
55.05515	18.8
57.03439	3.7
57.21115	1.4
59.04998	4.5
61.02925	5.3
63.62652	1.2
67.05508	5.3
68.36069	1.5
69.03439	20.8
69.07064	8.0
70.06601	2.1
70.23048	6.2
71.05000	3.4
73.02922	2.9
75.79044	1.4
79.05500	5.9
81.03432	8.0
81.07075	8.3
83.04991	22.5
83.08622	2.5
85.02911	44.1
85.06548	2.0
85.88039	1.5
86.09714	3.6
87.04488	4.0
91.05503	7.6
93.07052	8.2
95.04979	31.5
95.08593	11.0
97.02901	13.1
97.06538	1.5
99.04467	3.1
101.06034	15.7
105.07018	12.6
107.04964	23.3
107.08598	11.7
108.05315	3.9
109.02895	5.4
109.06539	7.8
109.10161	10.3
111.08086	1.6
114.06187	1.3
117.07032	3.6
119.04934	2.2
119.08575	8.4
120.08096	1.7
121.06532	4.3
121.10133	6.8
123.08083	4.4
123.11720	4.9
125.06053	1.7
127.03918	8.2
131.08582	3.7
133.10129	3.5
135.08022	7.8
135.11711	8.9
137.09619	2.1
143.08606	3.5
145.04973	4.7
145.10136	7.7
147.08025	2.3
147.11699	6.6
149.09666	4.5
151.07539	6.6
157.10101	1.9
159.08040	4.0
159.11699	4.5
161.09616	4.7
161.13271	4.6
163.11205	6.4
165.12766	63.7
167.07040	2.1
171.11729	3.4
173.09715	2.1
173.13388	1.8
175.14705	2.1
177.09142	6.8
177.16415	1.9
187.11174	1.6
187.14873	5.1
189.12755	4.9
191.10616	7.8
201.16441	2.2
205.15910	8.0
209.09726	2.1
211.14798	2.2
215.12648	1.8
219.17430	2.2
229.15909	5.4
232.07066	13.6
237.09113	7.1
247.16968	37.1
252.06599	1.7
265.08554	3.9
265.17999	100.0
321.16885	3.8
384.15732	2.3
409.16876	1.9
427.13641	5.1
427.18008	4.8
427.23221	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	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59088	1.1
55.05274	1.1
55.05514	12.1
57.07083	6.4
59.95238	1.2
62.67110	1.1
67.05507	7.1
69.07075	27.1
69.63244	1.0
71.08630	4.4
71.49308	1.3
79.05473	2.5
81.07056	10.7
83.04978	1.3
83.08624	10.8
85.10150	1.8
91.05496	2.6
93.07043	4.0
95.08618	12.9
97.10178	5.9
105.07035	2.5
107.05000	1.9
107.08592	5.2
109.10181	8.8
111.11713	2.8
119.08569	4.9
121.10155	5.0
123.11720	3.1
125.13239	1.2
131.08553	1.6
133.10168	2.2
135.08057	3.9
135.11684	1.9
137.09616	8.3
137.13271	1.7
139.07501	1.7
145.10114	2.1
149.09625	8.5
149.13185	1.6
151.07550	1.8
151.11151	1.2
157.10071	1.4
159.11653	1.9
162.06824	1.1
163.07576	1.4
163.11176	5.8
163.14752	1.2
165.09122	100.0
175.07610	1.7
175.11237	2.2
177.09161	7.1
179.10666	1.4
187.11200	1.8
189.09100	3.3
189.12769	1.3
190.10017	1.6
191.10680	6.1
201.12782	2.5
203.10707	8.2
205.12257	12.2
219.13837	1.4
285.67450	1.2
427.35995	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.4
57.03452	1.1
57.07074	6.4
67.05506	7.5
69.03431	1.0
69.07071	16.6
71.08620	3.6
71.49743	1.5
72.61018	0.9
72.61422	0.8
76.44663	0.9
76.52859	0.9
79.05493	5.2
81.07056	10.5
83.04955	1.8
83.08625	14.6
83.37729	0.8
85.10175	2.2
91.05463	2.5
91.98792	0.9
93.07038	2.9
93.34618	0.9
95.08605	8.5
97.10161	5.3
98.10545	0.9
100.03355	0.9
105.07030	2.7
107.08602	4.6
109.10155	8.0
111.11716	3.4
119.08575	4.4
121.06544	1.0
121.10130	3.8
122.07256	1.9
123.07995	1.2
123.11703	3.3
131.08571	2.3
133.10127	1.7
135.08087	3.0
135.11685	2.5
137.09624	8.9
137.13272	1.4
143.08485	0.9
145.10147	1.0
147.11723	1.6
149.09637	8.4
149.13243	2.6
151.07542	2.2
151.37895	1.0
157.10114	0.9
159.11652	2.6
160.73230	1.0
161.09753	1.6
163.07487	1.0
163.11188	4.0
165.09113	100.0
173.09653	1.6
175.07545	2.2
175.11157	1.8
176.08269	1.1
177.09123	4.2
179.10739	1.4
187.11168	1.7
187.14867	1.1
189.09106	3.4
189.12816	1.0
190.09822	1.6
191.10651	6.1
201.12772	1.6
203.10712	6.2
203.14343	1.2
205.12225	9.9
217.12216	2.5
219.13850	1.2
231.13802	2.2
233.15448	1.3
245.15367	1.3
255.45297	0.9
264.48825	1.0
301.21616	1.4
345.27734	1.0
427.30524	1.5
427.35843	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05515	15.8
57.07064	4.9
62.63774	1.7
67.05507	22.9
69.07073	20.8
69.24357	14.4
70.83542	1.6
71.40971	1.3
79.05505	10.7
79.70422	1.5
80.76851	1.3
81.07062	38.3
83.08623	21.7
91.05483	7.1
93.07049	29.2
95.08613	100.0
96.26525	1.3
97.06583	1.9
97.10187	7.0
101.06003	1.9
105.07036	17.6
107.08599	43.5
108.91128	1.5
109.10163	47.4
111.08087	4.1
119.08587	21.6
121.10146	38.2
123.08078	1.8
123.11707	14.7
129.09126	4.1
131.08580	5.2
133.10126	17.0
135.11693	26.0
137.13237	3.7
139.11061	1.6
145.10149	6.9
147.11705	18.4
149.09596	3.1
149.13277	23.1
151.07521	2.3
159.11722	8.2
161.13239	14.3
163.11214	3.6
163.14844	13.8
167.10704	2.4
173.13298	4.3
175.11330	1.8
175.14828	7.7
177.12764	1.4
177.16364	5.3
181.12267	2.6
187.14769	4.5
189.16417	9.6
191.16211	3.3
191.17960	63.5
199.14713	1.7
201.16409	3.4
203.17973	14.3
205.15825	3.3
205.19519	3.4
209.15382	3.8
213.16302	2.0
217.19536	14.1
219.17398	4.7
221.15271	1.9
223.16936	16.7
229.19582	1.7
230.24806	2.9
231.25235	2.3
235.16896	8.8
237.18529	17.8
257.22766	1.5
289.21490	2.3
309.11850	1.5
371.29846	1.7
384.08350	1.6
387.88208	1.5
409.30347	1.6
427.35880	37.6
427.46863	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05279	0.8
55.05513	11.2
55.66987	0.5
57.06846	0.5
57.07078	8.1
60.53223	0.5
67.05502	6.4
69.07069	20.6
69.55709	0.5
71.08634	4.1
71.49228	0.5
71.49622	0.7
75.13908	0.5
79.05486	2.6
81.07055	10.7
83.04980	0.6
83.08157	0.9
83.08620	12.8
85.10163	1.3
91.05478	2.3
93.07034	5.2
95.04971	0.6
95.08608	9.5
95.41991	0.5
97.10178	6.5
105.07026	3.1
107.08585	4.5
109.06502	0.6
109.10155	8.9
111.04407	0.7
111.11732	3.4
117.06974	0.7
119.08569	4.5
120.88269	0.5
121.06485	1.1
121.10144	4.3
122.07305	1.4
123.11736	3.5
124.06539	0.5
125.13268	0.9
131.08548	0.9
133.10121	1.9
135.08057	3.3
135.11682	2.0
135.69286	0.5
137.05951	0.6
137.09619	9.2
137.13240	0.9
139.07564	1.0
145.10129	2.1
147.11684	1.0
149.09618	11.4
149.13260	1.4
151.07578	1.7
151.11157	0.5
151.14775	0.7
157.10201	0.7
159.08041	1.0
159.11665	1.8
161.09631	1.5
161.13303	1.1
163.07553	1.6
163.11188	5.5
164.22441	0.5
165.09114	100.0
166.09480	1.1
171.11710	0.6
173.09616	1.3
173.13274	1.0
174.10394	0.9
175.07565	2.0
175.11168	3.6
176.08267	1.0
177.09105	6.4
177.12785	1.0
177.16367	0.6
179.10638	2.1
187.11182	2.2
188.08334	0.7
189.09090	3.6
189.12721	1.8
190.09857	1.6
191.10640	7.0
201.12784	1.2
202.09863	0.7
203.10677	7.5
203.14342	1.7
205.12257	10.9
217.12204	2.2
219.13736	2.5
229.12410	0.6
231.13745	3.2
245.15334	1.3
262.78625	0.6
275.27393	1.1
345.27792	0.7
399.32639	1.5
409.34402	0.9
427.35510	10.0
427.40643	0.7
428.36172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24227	0.6
53.03952	0.9
55.05513	8.9
57.07080	4.8
57.66631	0.7
60.24899	0.7
61.35017	0.6
61.38206	0.7
61.64910	0.6
63.26951	0.6
67.05508	5.4
69.07073	15.4
69.49585	1.2
69.49995	3.7
71.08629	2.5
73.98535	0.6
79.05480	2.6
81.07051	8.1
83.04971	1.3
83.08624	9.7
86.09669	0.7
91.05478	2.7
93.07029	3.7
95.08604	8.4
97.10176	3.5
98.21644	0.8
104.24774	0.6
105.07058	3.3
107.08595	3.5
109.10155	8.8
111.11717	2.2
111.69783	0.6
118.97189	0.7
119.08590	4.7
121.06497	1.4
121.10115	3.7
122.07343	0.8
123.08073	1.0
123.11700	1.5
125.13221	0.9
126.80832	0.6
131.08582	0.9
133.10123	1.2
135.08060	3.0
135.11720	1.9
137.09627	10.2
137.13277	0.9
139.07584	0.8
145.10133	1.3
147.11662	1.4
149.09599	7.7
149.13268	1.9
151.07556	1.7
157.10081	1.1
159.11705	1.9
161.13187	0.7
162.06775	0.8
163.07568	1.4
163.11205	3.5
164.08305	2.4
165.09122	100.0
166.09474	1.3
171.11699	0.8
171.64104	0.7
172.57216	0.6
173.09605	1.4
175.07565	2.5
175.11189	2.3
177.09105	5.3
179.10713	1.3
185.28976	0.7
187.11246	2.0
189.09097	2.9
189.12762	1.2
190.09885	1.0
191.10666	5.0
191.17873	1.1
201.12750	0.9
202.09949	0.8
203.10680	6.9
203.14397	1.1
205.12228	11.7
217.12210	1.7
219.13683	1.4
231.13818	2.2
233.15375	1.2
299.11185	0.7
345.28098	1.1
427.15662	2.9
427.35413	8.0
428.36505	8.7
444.47568	0.7
448.76147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.7
55.17609	0.5
62.54525	0.4
67.05492	1.2
69.03411	0.8
69.07051	0.9
69.83898	2.4
73.04733	0.5
73.57498	0.4
79.05479	0.6
81.03390	1.6
81.07023	1.4
83.08622	0.6
85.02926	0.6
91.05434	0.7
93.07017	0.8
95.08583	1.1
97.02892	0.7
97.06485	0.6
105.07003	0.9
107.04924	1.2
107.08582	0.6
109.10146	0.8
119.08550	1.0
121.10126	0.9
133.10094	0.5
135.11731	0.9
139.03864	0.7
145.10170	0.5
147.11632	0.7
181.06424	0.6
193.04985	0.6
193.12253	0.6
198.41385	0.5
201.08954	0.5
211.02075	1.0
211.13255	0.9
214.04482	0.5
225.03659	0.6
225.09050	1.0
230.62328	0.5
240.04793	1.3
242.03987	1.8
250.08583	1.6
251.03964	0.5
252.04796	5.2
253.03101	1.2
253.05603	0.6
254.03902	0.7
257.06339	0.5
262.08658	1.0
264.04547	0.8
265.05460	0.5
265.10837	0.6
267.07050	1.3
268.04288	4.9
278.08139	3.1
278.13013	0.5
279.08875	0.8
280.04291	28.9
280.09180	4.0
281.04602	0.5
282.05835	0.8
283.06531	2.3
285.05832	1.0
286.06036	0.5
292.09659	0.8
293.10376	2.2
294.05853	8.9
294.11142	2.8
295.06625	27.1
295.11523	2.3
296.03723	3.5
296.07227	2.0
298.09045	0.7
310.05237	1.2
311.06088	8.2
326.08441	100.0
327.08990	5.3
328.09995	2.4
339.05869	0.5
354.07965	5.4
372.08881	1.6
383.12259	2.8
395.03156	0.5
395.12344	1.9
412.82187	0.5
429.11157	35.7
430.11630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01380	6.9
52.70544	7.7
56.96579	12.1
61.02932	11.3
69.03429	16.9
70.06597	18.8
71.47499	13.3
85.02910	36.0
86.09719	9.1
87.94413	7.6
91.51597	7.3
97.02895	17.3
98.97591	28.9
107.04964	16.5
114.99445	8.7
115.35272	8.1
119.54256	7.4
127.03931	14.7
136.06215	19.0
143.00027	7.9
144.29147	7.3
145.05000	14.9
150.05508	57.6
172.47874	9.1
173.01122	7.6
190.58896	7.3
209.91994	7.2
245.05095	10.6
267.09952	15.1
287.05444	18.7
345.04480	16.0
353.19818	7.9
429.11664	100.0
429.21164	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.5
55.01884	2.4
57.03438	3.3
59.96594	1.2
61.02925	2.7
63.43649	1.0
67.05514	2.0
69.03429	31.3
70.50162	2.8
71.01363	1.6
71.04993	5.5
73.02908	3.9
75.42735	1.6
79.05508	1.5
81.03419	17.3
85.02907	76.5
91.05459	1.8
93.07028	1.9
94.50645	1.0
95.04971	28.6
97.02892	16.8
99.04453	8.9
101.02353	3.2
103.03934	1.8
105.07078	1.3
107.04955	29.6
109.02885	10.7
113.40327	1.3
115.03964	2.1
119.08670	1.6
121.02878	4.5
123.04433	100.0
127.03919	24.9
131.04913	1.3
137.05972	2.2
145.04962	14.9
147.04420	1.2
161.05888	1.2
163.11165	1.6
172.02739	1.1
179.07047	1.4
207.08194	1.4
267.08426	6.8
313.26636	1.3
427.56827	1.1
438.85959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29792	1.6
53.03949	6.9
55.01857	4.4
55.05500	2.0
57.03420	5.1
61.02912	2.3
67.05483	3.3
68.99786	1.9
69.03432	27.7
69.07053	2.5
70.06595	7.6
71.04989	3.8
71.48259	2.2
72.08149	3.7
73.02911	7.4
79.05479	5.6
81.03416	23.6
81.07058	7.6
83.04948	2.3
85.02908	46.5
86.09705	7.9
87.00828	18.4
91.03952	2.3
91.05450	10.5
93.07048	12.2
95.04973	19.4
95.08606	3.2
97.02898	17.2
97.06538	2.3
99.04472	8.6
103.03960	2.3
103.05444	2.9
105.01870	10.0
105.07030	10.5
107.04961	10.5
107.08585	11.9
109.02882	27.2
109.06523	2.2
117.07012	5.2
119.04956	1.9
119.08580	5.5
120.08083	1.9
121.06489	5.5
121.08469	1.8
121.10144	14.6
123.04471	7.1
125.05965	2.9
127.03921	42.0
129.01820	4.0
130.07813	3.5
131.04930	2.1
133.06468	1.9
133.10158	1.7
135.08043	1.9
135.11685	5.2
137.06007	2.3
143.08545	2.0
145.05005	12.3
145.10141	13.1
147.02881	3.0
147.08041	3.1
149.05978	1.7
151.42534	1.7
159.02940	14.3
159.04213	3.2
161.09648	1.9
163.11186	100.0
167.07010	2.0
175.11150	2.9
177.05493	2.4
181.12210	5.0
189.03952	2.4
193.12256	3.6
205.12233	6.3
223.13240	9.9
231.04964	9.3
248.14661	1.6
265.08609	2.1
383.13498	1.8
393.15359	2.6
429.12863	2.5
429.15878	1.8
429.17624	1.8
429.21353	9.8
439.55173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
61.23315	0.4
69.07065	1.4
70.06593	9.9
72.08147	1.5
84.04483	1.3
84.08139	1.5
85.02872	0.6
86.09711	17.5
87.05585	0.5
102.05544	1.9
107.04961	0.7
110.05996	0.5
110.07176	0.4
116.07096	4.7
116.15343	0.5
120.08102	0.6
127.03928	0.6
129.10214	1.0
155.08148	1.1
169.13429	2.2
173.09218	2.9
173.12828	1.0
183.07716	1.1
197.12869	2.5
201.08681	4.9
201.12334	1.2
203.05257	2.2
203.50917	0.4
229.11862	0.6
229.15524	0.6
233.15089	0.6
240.28734	0.5
249.14825	0.8
268.16641	0.7
273.09433	0.7
281.48477	0.5
287.90894	0.5
310.21255	0.8
314.17172	1.2
316.15201	0.5
362.79150	0.5
371.16846	1.1
411.19952	1.5
429.20999	100.0
430.21289	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08667	0.3
56.05032	0.4
57.00823	0.3
59.13024	0.3
64.91041	0.3
69.03433	0.6
69.18075	0.7
69.18488	2.8
70.06592	2.9
72.08164	1.7
81.03423	0.4
84.04508	0.7
84.08114	1.6
85.02898	1.3
86.09707	4.6
91.02473	0.4
91.05482	0.3
95.05000	0.4
105.07028	0.4
107.04942	1.0
108.05322	0.5
110.07211	0.4
116.07100	0.8
120.08067	0.5
129.10233	1.0
137.24477	0.4
163.11156	0.4
203.05231	0.5
211.14481	0.3
217.73891	0.3
219.11795	0.3
231.13483	0.4
249.14708	1.4
267.15759	1.2
321.84399	0.4
411.19962	4.1
421.81723	0.4
422.90988	0.4
429.20993	100.0
430.21381	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	429.2122
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.32680	1.8
53.03950	10.4
53.90359	2.0
55.01870	3.9
55.05512	13.1
57.03440	17.9
58.80419	2.0
60.04514	3.7
67.05502	17.5
69.03437	32.7
69.07065	5.8
69.43121	16.6
70.06593	5.5
71.04980	7.2
72.08158	2.1
73.02899	3.4
79.05492	22.3
81.03423	100.0
81.07063	26.0
82.83767	1.9
83.04990	19.6
83.08624	22.5
85.02912	18.7
86.09708	44.7
87.05584	3.2
91.05482	21.8
93.07034	14.0
95.04970	23.5
95.08604	6.9
97.02903	45.1
97.06528	4.8
97.10178	5.7
99.04453	8.3
101.02353	3.6
103.03951	3.4
103.05514	2.5
105.07038	17.5
107.04967	12.5
107.08567	6.1
109.02919	15.2
109.06539	4.2
109.10139	3.1
111.04436	8.2
111.08089	9.8
116.07089	15.8
119.04971	2.4
119.08594	17.1
120.08115	2.4
121.06514	3.4
121.10139	10.0
121.54796	2.4
123.04373	3.1
123.11695	3.0
127.03905	15.1
129.05515	3.9
129.07004	6.2
131.04936	2.9
131.08557	9.2
133.06483	3.2
133.10120	7.4
137.06006	4.0
145.04936	2.8
145.10150	2.9
147.11693	18.5
149.09637	6.2
157.10130	10.3
159.04404	5.5
163.11195	4.8
165.12779	7.4
173.12888	18.0
175.11208	16.8
177.05498	4.5
181.12236	3.3
189.12720	2.5
191.10704	3.7
193.12260	56.4
201.07588	2.7
201.12346	17.8
211.13310	95.2
225.05501	2.1
227.12686	4.6
229.15672	3.3
229.55653	2.5
231.13887	2.8
235.13312	3.6
249.14824	7.6
253.08737	2.7
267.15836	4.4
273.14975	2.2
285.17001	15.4
314.20956	2.6
355.17667	2.8
393.18939	4.3
411.20035	7.2
429.21378	67.3
430.21490	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	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01871	6.1
55.05511	18.4
57.03439	19.0
61.02926	2.9
65.03946	2.1
67.05507	17.2
69.03088	2.6
69.03429	30.3
69.07068	9.6
70.06584	2.0
70.10924	7.5
71.04977	7.2
72.03329	1.6
73.02898	2.8
73.04739	2.0
75.21438	1.6
79.05486	15.8
81.03419	88.2
81.07059	25.3
83.04992	23.9
83.08622	18.7
85.02917	23.2
91.05475	22.3
93.07047	16.3
95.04974	23.3
95.08604	11.1
97.02304	3.4
97.02893	46.3
97.06533	4.5
97.10160	7.7
98.20854	2.5
99.04467	6.0
101.02357	3.0
103.03941	2.4
105.07028	15.9
107.04967	9.6
107.08604	6.7
109.02882	15.3
109.06516	7.0
109.10172	6.4
111.04445	9.6
111.08076	11.3
117.07077	2.1
119.08573	16.6
121.06527	4.0
121.10181	11.0
121.58751	1.5
123.04455	2.3
123.08025	3.1
123.11734	2.0
125.09637	4.0
127.03917	15.3
129.05487	3.7
129.07004	11.7
131.08568	7.6
131.56357	1.7
133.06468	3.9
133.10141	6.1
135.11676	3.3
137.05893	1.7
139.03934	2.7
142.07739	1.8
143.08592	2.5
145.04956	2.2
145.10104	4.7
147.08055	2.2
147.11725	14.1
149.02303	1.8
149.05952	2.7
149.09650	5.6
151.07530	5.0
157.10115	13.9
159.11708	3.6
160.59183	1.6
161.13321	1.9
163.11142	3.7
165.12746	4.7
171.11607	2.2
175.11192	16.0
177.09209	2.7
181.12119	1.8
183.06540	2.4
189.12746	1.8
191.10698	5.2
193.04965	2.5
193.10449	2.5
193.12253	64.1
211.13289	100.0
227.12827	5.0
229.14435	4.9
235.13255	2.4
247.13396	2.1
249.14900	8.0
267.15881	2.8
273.14871	1.8
283.15271	2.6
285.17017	14.9
301.14270	1.9
313.16599	2.7
337.16568	2.1
355.17505	5.1
399.21652	2.0
411.20572	4.1
429.11893	4.3
429.21204	52.9
429.30173	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.7
55.01866	8.4
55.05515	23.2
57.03443	28.4
61.02929	38.8
61.45439	4.1
67.05507	31.6
69.03429	33.3
69.07066	6.2
70.06591	12.8
70.15102	15.1
71.01359	6.8
71.05005	10.3
72.08143	10.0
73.02921	18.4
73.89954	4.7
79.05506	35.9
81.03426	100.0
81.07057	35.8
83.04982	17.7
83.08611	27.9
84.08164	6.0
84.24927	4.4
85.02909	41.6
86.09698	20.4
88.90442	5.4
91.03966	19.1
91.05476	45.4
93.07054	28.2
95.01324	6.8
95.04975	93.2
95.08604	13.1
97.02890	44.5
97.06526	6.2
97.10185	9.9
99.04459	10.4
101.02410	11.9
103.03944	13.2
103.05473	8.3
105.07034	37.0
107.04951	57.2
107.08602	12.3
109.02879	19.2
109.06568	5.4
109.10139	5.1
111.04433	10.3
111.08081	12.0
115.05492	10.0
116.07147	4.5
117.07026	20.2
119.04958	10.0
119.08620	37.2
121.02829	6.6
121.06520	16.2
121.10135	13.8
123.04430	51.8
125.09635	6.4
127.03928	17.3
128.06175	5.1
129.07007	18.9
130.08701	6.7
131.04941	17.3
131.08569	12.7
132.05701	8.2
133.06459	19.4
133.10175	9.3
135.08046	6.5
135.11732	5.8
141.07013	9.6
145.06529	9.4
145.10153	12.1
147.04384	14.7
147.08031	21.3
147.11679	11.1
149.05992	7.9
149.09642	9.7
149.66208	4.0
153.09134	5.5
156.82100	3.9
157.06461	4.4
157.10175	13.7
159.04407	9.1
160.66096	4.2
161.06020	17.5
161.09622	4.8
163.11214	19.4
163.12389	4.1
163.14836	4.9
167.07101	37.0
169.06499	6.1
171.11697	8.6
173.09668	11.7
175.07553	95.8
175.11206	12.1
177.09125	12.5
177.12846	4.4
185.13231	7.1
189.05479	8.0
189.12798	14.5
193.08649	37.4
193.10240	4.6
193.10542	5.4
193.12225	44.4
201.09097	7.5
201.12410	7.4
207.13847	9.1
211.11467	7.1
211.13268	32.5
217.05049	6.9
217.12250	6.3
225.09225	4.6
235.13269	64.4
236.08386	6.6
247.07555	5.0
249.14935	7.3
253.08583	9.6
259.13348	16.1
264.07904	7.2
267.12442	5.8
267.15939	36.3
273.14850	21.2
277.14359	9.8
289.14124	5.1
301.14328	15.2
309.16849	26.9
309.89691	4.4
319.15277	6.3
331.13199	6.0
337.16437	5.6
355.15475	8.6
359.02731	5.3
375.17996	17.2
383.12680	8.7
393.19003	10.3
411.12195	6.0
411.20230	9.5
429.13443	16.1
429.21387	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61021	2.4
53.03940	10.1
55.01870	6.5
55.05505	20.5
57.03441	17.1
57.25095	2.8
58.71731	2.3
65.03947	2.1
67.05510	23.9
69.03429	28.4
69.07065	15.3
71.01350	2.8
71.04983	8.6
71.08634	2.0
71.48229	2.8
73.02921	4.7
73.04753	2.9
79.05488	22.7
81.03421	91.9
81.06659	2.8
81.07063	29.6
83.04983	21.2
83.08617	31.1
83.23529	2.1
85.02907	23.4
85.06581	3.0
86.09711	3.5
87.04475	2.2
91.05454	18.4
93.07050	21.1
95.04970	28.1
95.08604	22.5
97.02894	45.1
97.06499	5.0
97.10165	6.1
99.04436	9.4
103.05476	2.9
105.07034	26.1
107.04964	15.3
107.08582	14.8
109.02895	15.7
109.06490	7.2
109.10172	18.7
111.04446	13.1
111.08083	12.1
117.06950	4.9
119.08577	18.3
121.06528	5.6
121.10165	17.0
123.04401	3.5
123.08089	6.6
123.11692	7.4
125.06030	3.8
125.09647	5.0
127.03941	18.5
127.07542	2.6
129.05460	3.7
129.07001	10.2
130.07808	2.4
131.04994	2.8
131.08597	11.4
133.06459	2.9
133.10123	14.2
135.01445	2.0
135.08046	5.3
135.11678	7.6
137.05984	5.7
137.09567	4.1
137.13240	5.2
139.03859	4.2
142.07794	4.6
143.08563	5.1
144.44331	2.3
145.04947	3.0
145.10141	9.4
147.08040	6.3
147.11668	17.3
149.02324	4.5
149.04543	2.7
149.09662	8.3
149.13229	3.6
151.07544	32.8
151.11143	2.5
155.08609	4.4
157.10138	13.9
159.11600	3.5
161.13242	2.6
163.09892	2.3
163.11188	6.4
165.12744	3.8
171.11700	2.9
173.09630	4.3
173.13173	3.7
175.11159	15.5
175.14841	2.8
177.09154	3.2
183.06538	2.7
189.09154	5.1
189.12842	3.3
189.16243	2.2
191.10660	9.0
193.04977	5.0
193.12253	61.8
203.17957	2.5
211.13295	100.0
229.14319	5.6
233.11548	2.4
235.13185	2.8
243.06567	15.8
249.14839	5.2
267.15918	3.9
285.17072	13.6
313.16379	3.2
339.17886	2.5
355.17438	4.2
393.19666	2.4
411.19669	2.9
411.28918	5.0
429.11884	7.7
429.21280	56.2
429.29877	7.5
430.21545	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05505	3.7
55.09340	0.9
57.07080	19.8
59.07988	0.8
67.05502	5.4
69.07071	5.1
71.08635	12.4
71.33673	1.4
79.05497	2.6
81.07069	6.7
83.04972	1.2
83.08614	3.0
85.10184	5.9
91.05490	3.0
93.07053	3.9
95.08611	7.3
97.10159	1.8
100.09983	0.9
105.07024	2.9
107.08607	6.2
109.10156	6.2
111.04435	1.7
117.07030	1.0
119.08576	4.0
121.06531	1.3
121.10176	3.4
122.07250	1.4
131.08536	1.6
133.10181	1.4
135.08084	6.1
135.11751	1.9
137.09622	11.7
137.17320	0.8
139.07544	2.4
143.08484	0.8
145.10132	2.5
149.09624	17.7
149.13245	1.2
151.07574	1.8
159.08057	1.2
159.11725	3.0
161.09593	1.1
163.11191	21.9
163.98447	1.0
165.09122	100.0
173.09647	2.2
173.13316	2.6
175.07538	1.6
175.11208	5.8
176.08368	2.1
177.09128	12.7
177.12727	2.4
179.10690	1.3
186.10423	1.1
187.11205	2.8
189.09207	1.3
189.12744	2.3
190.09833	1.0
191.10683	11.4
201.12833	2.8
203.10663	1.9
203.14360	1.7
205.12219	10.2
205.13664	0.9
215.14394	2.1
216.49339	0.9
219.13805	6.0
233.15373	2.6
247.16934	1.1
261.18561	1.0
275.20020	1.8
289.21628	1.6
303.23187	2.3
317.24606	1.5
401.34201	1.9
411.36234	1.6
429.37311	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05511	4.2
55.12181	0.8
57.07082	17.6
66.37531	0.8
67.05515	5.3
69.07066	4.3
69.35886	4.4
71.08636	11.5
74.98119	0.8
79.05488	2.1
81.07068	7.1
83.01340	0.8
83.04958	0.8
83.08630	2.5
85.10202	6.0
91.05482	2.2
93.07024	4.6
95.08627	6.9
97.10166	1.7
105.07046	3.2
107.08599	6.9
109.10159	7.3
111.04443	1.5
111.11686	1.4
119.08575	5.3
121.06472	2.1
121.10156	4.2
122.07276	1.0
123.08065	1.0
123.11694	1.7
124.34389	0.7
125.06008	0.8
131.08545	2.7
133.10172	0.9
135.08057	6.0
135.11679	2.7
137.09633	11.0
139.07576	1.4
145.10143	2.7
149.09642	13.6
149.13248	1.3
151.07468	0.9
157.10223	1.1
159.08109	0.8
159.11739	3.5
160.08815	0.9
161.09647	0.9
162.06784	1.6
163.11192	17.2
164.08305	2.2
165.09128	100.0
166.09509	1.6
171.39548	0.7
173.09656	2.2
173.13280	2.1
175.11185	6.0
176.08302	2.5
177.09154	9.4
177.12762	2.6
179.10767	1.3
186.10338	0.8
187.11153	2.0
187.14752	1.6
189.09140	1.7
189.12796	2.2
190.09885	1.2
191.10698	10.5
201.12755	2.1
203.10634	2.5
203.14346	1.1
204.11401	1.0
205.12228	11.3
215.14224	1.4
219.13837	5.8
233.15411	1.8
234.80559	0.8
247.17010	1.2
275.20126	1.5
289.21631	0.9
303.23236	1.3
317.24869	1.8
326.45554	0.8
331.26300	1.3
373.30862	1.4
392.44904	0.8
401.33987	2.2
411.36240	2.0
412.09000	0.8
429.21674	0.9
429.32443	1.6
429.37296	36.2
430.37708	3.9
433.79837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.09716	0.4
54.98794	0.4
55.05513	1.8
57.06842	0.4
57.07078	5.4
67.05510	3.6
69.07066	2.4
71.08632	3.8
76.97629	0.3
79.05476	1.2
81.07058	4.5
83.08596	1.6
84.60866	0.3
85.10165	1.5
89.36504	0.4
91.05451	0.9
93.05374	0.4
93.07018	1.2
95.08609	3.8
97.10154	1.4
97.50032	0.4
98.21558	0.5
105.07003	1.5
107.08585	1.2
109.10159	5.0
111.11739	1.1
117.07012	0.6
119.08589	3.1
121.06503	0.5
121.10151	1.2
122.07279	1.1
123.08054	0.8
123.11697	1.1
125.05950	2.3
129.06911	0.4
131.08551	1.0
133.10136	0.5
135.08101	2.3
135.11690	0.4
136.08827	0.6
137.09608	9.7
145.10104	1.7
149.09633	6.8
151.07558	2.3
151.14803	0.5
159.08092	0.9
159.11702	2.2
161.06052	0.5
161.09564	0.6
162.06757	0.7
163.07549	0.8
163.11189	3.3
165.09116	100.0
166.09456	0.8
172.08803	0.6
173.09616	1.7
175.07521	1.0
175.11134	0.7
176.08315	1.7
177.09116	4.3
177.12701	1.3
179.10672	1.6
186.10408	0.4
187.11174	1.9
189.09148	0.6
190.09918	3.3
191.10664	4.4
203.10699	0.8
205.12244	20.6
219.13814	1.0
401.33936	0.7
429.31836	1.3
429.37247	9.6
430.38235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03440	1.2
61.02935	0.5
69.03434	1.3
69.64732	0.2
70.06590	0.6
70.31909	0.5
71.01337	0.3
72.08148	0.4
73.02921	0.7
73.48931	0.2
80.66835	0.2
81.03414	0.3
84.08152	0.3
85.02923	2.0
86.09698	0.4
87.04463	0.3
94.04057	0.6
97.02905	0.8
98.97561	0.6
103.49880	0.2
107.04968	0.7
109.74147	0.2
115.03915	0.5
118.08134	0.2
119.03539	1.5
120.08086	0.7
133.04987	0.9
136.06194	100.0
137.04601	0.7
137.06631	0.3
145.04945	0.3
166.08578	0.2
219.01723	0.3
237.02773	0.2
238.30348	0.2
268.10376	4.0
271.70239	0.2
290.76001	0.2
298.11462	0.5
309.08606	0.2
382.05640	0.3
430.15704	3.9
430.21472	0.9
430.27292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
60.32903	0.2
70.06591	0.2
71.48380	0.2
71.48772	0.3
77.03949	0.2
79.05500	0.9
79.24304	0.2
82.60072	0.2
84.01922	0.2
85.02905	0.3
86.09750	0.2
95.04979	1.0
105.04527	0.5
107.04957	100.0
108.05262	1.0
123.04429	0.2
154.03690	0.2
187.74619	0.2
201.05563	0.2
219.10220	0.3
430.21857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
53.80462	2.6
55.01874	7.4
55.05511	28.8
57.03440	27.2
57.07085	4.7
61.02930	29.4
65.03941	3.5
67.05506	61.3
69.03431	35.7
69.07072	33.3
71.04994	11.2
71.48183	4.6
73.02921	12.4
79.05493	44.6
81.03412	34.3
81.07058	100.0
81.07534	4.9
83.04984	38.4
83.08622	19.9
85.02911	39.9
85.06561	7.4
91.03938	16.9
91.05473	32.8
93.07049	63.0
93.07642	3.5
95.04971	7.8
95.08614	51.4
97.02897	28.8
97.06523	11.0
97.10185	4.7
99.04453	9.6
99.08092	6.8
101.02393	7.2
103.03950	5.3
105.07027	19.0
107.04961	14.3
107.08598	34.6
109.02896	10.6
109.06537	8.3
109.10152	16.7
111.04440	8.3
111.08089	8.1
111.11723	5.0
113.05321	2.6
115.05426	3.9
117.07012	13.3
119.08603	16.5
121.06534	8.0
121.10149	24.2
123.08119	4.5
123.11676	14.0
125.06001	5.7
125.09622	3.3
127.03918	17.9
129.05479	14.1
129.07050	3.3
131.08560	15.8
133.06490	4.9
133.10150	18.4
135.08057	5.3
135.11665	13.6
136.07585	4.3
137.06018	5.0
137.09596	3.5
137.13245	3.0
139.03891	5.3
139.11217	6.5
145.04977	3.1
145.10141	6.8
147.11720	16.1
149.09660	4.4
149.13254	42.2
151.07588	7.8
153.05455	4.7
157.10135	6.5
159.11697	29.1
161.13272	3.1
164.07100	5.6
165.12756	3.1
167.07077	5.0
171.11694	4.1
175.11224	3.1
177.12715	19.6
179.10719	2.8
179.14326	3.4
181.08627	4.1
183.06560	4.6
193.12199	3.9
195.13811	41.9
203.14285	3.2
207.13850	3.5
213.12769	2.9
213.14819	3.6
231.13670	3.3
241.05000	3.5
241.08466	4.1
269.17505	91.9
292.33603	2.9
413.21631	10.2
413.30533	11.4
431.15094	9.7
431.22821	6.2
431.31772	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01870	6.7
55.05512	26.0
57.03444	22.0
57.07067	3.7
61.02930	24.0
65.03933	4.9
67.05510	60.6
69.03434	24.6
69.07078	44.1
69.50256	21.2
71.04986	9.0
73.02911	11.2
77.51199	3.4
79.05499	39.6
80.92473	2.6
81.03415	26.7
81.07061	100.0
81.60201	2.7
83.04986	27.1
83.08628	19.7
84.08168	3.5
85.02911	32.5
85.06533	4.4
91.03947	16.2
91.05486	28.3
93.07053	53.5
95.04959	12.3
95.08622	41.8
97.02901	29.2
97.06541	15.6
99.04443	8.8
99.08065	3.1
101.02359	6.5
103.03951	4.5
105.07047	20.0
107.04972	18.2
107.08610	30.9
109.02854	8.2
109.06533	6.9
109.10176	20.9
111.04442	6.3
111.08084	10.0
111.11688	4.7
117.07029	13.6
119.08535	13.4
121.06510	5.6
121.10147	20.0
123.04453	2.9
123.11724	11.5
125.06014	5.2
125.09694	3.3
127.03916	14.1
129.05490	14.8
129.06927	3.9
131.08611	15.4
133.10136	12.2
135.08063	4.1
135.11682	13.6
137.05956	7.7
137.13226	4.8
139.03874	7.1
139.11148	5.0
141.14069	3.0
145.04965	5.2
145.10107	5.4
147.08078	4.2
147.11693	12.0
149.09613	5.2
149.13268	37.8
151.07567	6.7
153.05455	6.4
157.10095	6.2
159.11702	24.9
161.13274	4.6
165.12759	3.9
167.07060	4.8
173.09685	3.9
175.11168	3.4
177.09007	3.1
177.12720	11.5
183.06468	4.4
183.11713	4.2
185.31145	2.6
191.10870	3.0
195.13823	28.1
203.10672	3.2
213.14766	4.9
219.13815	4.4
229.92485	2.9
241.05092	3.0
241.08264	3.0
269.17508	75.8
302.93091	3.1
311.18866	3.2
339.18195	2.9
413.21857	5.1
413.30472	11.6
416.12836	3.7
431.15173	8.9
431.22708	6.3
431.31540	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01863	4.5
55.05274	3.4
55.05516	32.6
57.03436	23.0
57.07065	4.9
61.02931	19.7
65.03941	3.3
67.05506	65.7
68.85654	2.0
69.03436	27.3
69.07072	40.7
71.01347	2.6
71.04988	9.2
71.22327	4.2
73.02936	11.2
79.05495	39.6
81.03416	24.6
81.07059	100.0
83.04979	35.2
83.08625	21.1
85.02911	26.3
85.06538	8.0
90.79166	1.8
91.03944	9.6
91.04911	2.3
91.05479	33.6
91.39826	1.8
93.06489	3.6
93.07046	58.4
95.04990	10.2
95.08612	50.1
97.02884	23.6
97.06541	16.3
97.10159	7.1
99.04443	7.2
99.08086	4.6
101.02385	6.4
103.03938	5.1
104.35976	2.0
105.07029	20.4
107.04971	13.7
107.08591	36.1
109.02872	8.7
109.06513	6.4
109.10165	21.1
111.04444	10.3
111.08067	7.3
111.11710	4.1
113.05974	2.8
117.07043	14.3
119.08593	15.6
121.06510	4.3
121.10160	23.6
123.04413	3.6
123.08055	7.1
123.11705	12.8
125.06008	10.0
127.03962	16.6
129.05492	13.2
129.06992	4.9
131.04921	4.3
131.08571	14.9
133.06470	2.4
133.10124	18.0
135.08031	7.5
135.11691	15.2
136.07559	3.6
137.05977	7.5
137.13248	9.2
138.42381	1.9
139.03873	16.5
139.11163	4.5
141.05457	2.2
143.08533	6.0
145.04976	4.2
145.06471	3.7
145.10089	7.4
147.08109	2.7
147.11702	11.5
148.22621	2.0
149.05981	2.1
149.09665	3.7
149.13268	39.4
151.07588	13.9
151.11195	2.2
151.14827	2.9
153.05428	7.5
157.10081	4.7
159.08063	2.7
159.11700	22.7
161.09628	3.4
161.13274	6.4
163.11234	2.4
163.14830	3.4
165.09196	2.2
165.12775	4.0
167.07013	4.6
171.11774	3.7
173.09671	3.0
175.11240	3.2
177.09149	2.2
177.12788	17.6
183.06552	4.2
183.08101	2.1
187.11241	2.5
191.10718	5.2
193.08624	2.9
193.12318	2.9
195.13808	30.6
211.24370	2.0
217.12419	3.1
219.10159	2.4
246.10410	2.4
257.15503	2.3
261.14917	2.4
269.17502	69.8
270.17755	2.6
275.16513	3.2
311.18515	2.3
339.18097	3.9
349.60168	2.4
384.09927	2.2
395.29709	5.6
399.11957	2.7
413.21658	8.0
413.30429	20.0
431.14911	7.9
431.22342	6.0
431.31564	21.1
445.33859	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05029	0.8
56.51154	0.2
60.04516	0.7
67.69881	0.3
68.44883	0.3
69.03415	0.4
69.07072	6.2
69.82624	1.3
70.06599	2.9
72.07756	0.6
72.08160	12.9
75.05605	3.5
84.04510	2.6
84.08141	1.2
85.02895	0.4
86.09711	100.0
87.05582	0.3
87.10036	1.2
88.13351	0.3
89.37780	0.3
96.08147	0.3
97.06565	0.3
102.05544	2.1
107.04982	0.5
110.06064	0.3
110.07172	0.3
116.07127	0.4
120.08134	1.9
129.10208	1.5
130.05040	1.3
132.10246	0.3
137.05974	0.4
142.08678	0.8
142.57957	0.3
143.11809	12.4
148.06056	4.4
154.32295	0.3
155.08165	0.4
171.11301	5.3
173.09261	0.9
185.16507	8.2
189.12332	0.5
199.18150	1.0
201.08714	1.4
213.15994	6.5
213.67496	0.3
215.14056	0.7
219.13412	4.3
219.15393	0.4
219.95093	0.3
221.84930	0.3
227.17561	0.6
231.17056	0.7
239.17633	1.2
243.13380	0.7
261.14474	14.2
275.30283	0.2
284.19830	1.7
295.52823	0.3
326.24445	0.8
364.52216	0.3
373.20279	0.5
431.22546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.87722	0.5
56.05036	1.7
66.07328	0.5
67.05526	0.5
69.03439	0.5
69.07063	2.5
70.06589	5.0
71.04984	0.6
71.06242	0.4
72.08157	6.2
79.05499	0.5
84.04500	11.4
84.08160	3.1
85.02895	1.3
86.09707	100.0
87.04472	0.6
87.10047	1.1
88.04004	1.0
89.06039	0.6
93.06982	0.5
95.04994	0.8
95.08549	0.5
96.04496	1.0
97.02917	0.6
102.05555	7.3
107.04956	14.5
107.08592	0.7
108.05280	6.2
109.10170	0.5
110.07243	0.5
112.08689	0.6
113.07093	0.5
115.08805	0.4
116.07094	1.9
119.08595	0.6
120.08127	1.3
121.02857	1.0
124.07483	0.4
129.06607	1.9
129.10257	1.8
131.08600	1.0
132.10187	1.3
133.93068	0.5
137.06029	0.7
141.06622	2.3
141.10237	0.9
143.11781	2.2
147.11700	1.1
152.10706	1.4
156.04776	0.7
156.10248	0.8
157.13365	1.0
170.11702	2.4
171.11316	1.5
173.13252	0.7
183.11316	0.6
185.12773	0.6
185.16481	0.8
189.12350	14.8
197.12865	5.8
199.18083	2.4
201.12325	4.4
202.05338	1.5
203.13950	2.9
213.09180	0.6
213.16084	1.1
215.13916	19.1
219.07990	1.1
225.12332	2.2
227.17648	1.4
229.11829	4.0
240.07681	0.6
243.13402	13.9
247.12888	0.8
252.12361	0.6
261.14511	1.4
271.09711	1.4
285.11343	0.9
300.15646	0.7
310.21289	0.5
325.12061	0.7
338.20874	2.0
356.22043	0.7
404.50797	0.5
431.22256	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	431.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62032	0.4
55.05511	2.5
56.05032	1.0
57.05815	0.5
60.04523	0.4
69.07072	4.5
69.75520	2.0
70.06599	2.9
72.08159	32.4
74.06102	0.4
75.05616	0.6
84.04509	2.4
84.08144	1.1
84.60957	0.4
86.09709	100.0
87.10063	1.1
102.05521	2.0
106.05029	0.5
107.04981	0.5
114.09221	0.4
116.07072	0.3
118.77306	0.3
120.08128	0.9
129.06627	0.6
129.10251	1.1
130.05000	0.5
132.10220	0.4
143.11801	3.2
148.06020	1.8
157.13368	0.4
161.46947	0.3
164.41399	0.4
171.11322	2.0
173.09238	1.0
185.16502	21.7
189.12405	1.1
199.18124	1.6
201.08775	1.8
201.12349	1.9
213.12802	0.7
213.15988	18.8
215.13976	1.4
219.13411	13.6
227.17654	1.1
231.17075	1.3
239.17470	0.4
241.08888	0.4
243.13506	0.8
249.45145	0.3
261.14432	4.1
281.22189	0.8
284.19785	1.0
300.15912	0.4
326.24438	2.0
341.36182	0.3
373.20413	0.4
431.22473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32537	2.0
52.45447	2.1
53.41775	1.8
55.05518	11.0
55.05730	2.0
56.24639	2.4
57.05814	2.8
60.04518	4.9
61.01998	2.5
61.02929	2.8
64.03230	1.9
66.39331	1.9
69.03432	5.2
69.07047	2.0
69.65868	12.5
70.06587	10.1
72.08161	100.0
74.02450	6.2
83.06091	3.1
84.04048	3.6
84.04507	37.8
84.08141	4.9
85.02940	10.8
86.09715	23.9
86.10207	3.3
87.10059	3.3
91.05481	3.2
94.61112	2.0
95.08607	2.4
97.02921	3.7
98.16153	2.3
98.20838	3.4
99.05441	2.1
99.09218	40.1
101.07133	6.3
102.05537	4.0
105.07039	4.3
107.04986	5.9
107.08576	2.3
110.07166	18.5
118.06505	3.5
119.04974	3.0
119.08569	6.8
121.10164	18.1
123.08073	4.2
125.05936	2.2
127.03918	2.1
127.08688	98.7
129.10287	3.4
130.05023	46.1
130.06531	34.4
131.04912	3.3
132.08099	37.5
133.10077	2.3
136.07558	5.4
142.06493	4.0
145.10086	2.6
147.04407	11.7
147.06461	3.1
147.07651	60.7
147.11667	5.0
158.08415	7.3
159.09189	75.0
160.07678	2.9
161.13245	17.8
169.07610	5.4
170.04626	4.0
170.06020	37.4
173.12889	3.8
179.14336	4.9
181.12273	3.2
184.09705	3.8
187.08679	31.8
196.11360	2.2
201.12500	4.7
213.13855	7.4
214.08545	2.7
214.93132	2.0
217.12292	2.6
223.09116	2.7
232.12898	2.4
234.14821	2.5
235.13615	2.2
252.15985	7.0
258.16034	39.0
270.17041	25.6
286.15536	36.4
299.10333	4.7
301.12830	2.4
316.12915	9.3
333.15558	20.5
432.21957	11.7
433.16583	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
57.03198	0.8
57.03440	8.2
67.05481	0.7
69.03432	1.0
69.07062	0.7
69.59582	3.4
70.06582	0.5
71.05009	0.7
73.02934	2.9
75.04482	21.0
85.02902	2.3
95.08567	0.8
97.02943	0.6
98.21494	1.1
99.04450	0.7
105.03353	0.6
107.04968	3.8
114.08408	0.6
119.08608	1.0
121.02874	3.0
121.10106	0.6
127.03914	0.5
133.02808	0.7
137.02388	0.8
137.05894	0.7
145.10147	0.6
147.04413	0.6
153.01840	4.6
157.06490	1.0
164.07082	0.6
165.01859	2.0
183.03029	0.7
195.08069	0.6
213.05551	1.4
213.09076	0.8
223.07555	1.2
231.06459	0.8
241.04890	1.2
258.05298	1.3
271.06244	1.1
271.09671	5.9
272.88538	0.6
287.05508	100.0
288.05899	2.6
370.40790	0.6
414.16006	0.6
415.21436	0.6
433.15094	2.0
433.21249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.09146	0.1
54.46969	0.1
62.79408	0.1
67.01845	0.6
68.99809	0.2
69.03430	0.2
69.90679	0.5
69.91101	0.3
70.06573	0.2
71.46474	0.2
73.46243	0.1
85.02899	0.2
91.05480	0.5
98.21429	0.2
107.04954	0.3
119.04940	1.8
120.08095	0.2
121.02838	0.5
137.06009	0.3
145.02863	0.7
153.01837	5.1
163.03899	0.3
171.02924	0.3
187.03816	0.2
197.06155	0.2
207.38589	0.2
213.38226	0.2
225.05493	0.3
229.04892	0.3
243.06488	0.2
271.06015	100.0
272.06348	2.3
355.53110	0.2
396.08865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47134	0.6
53.03936	1.3
55.01862	0.6
69.03429	1.4
70.06586	2.4
71.48392	1.0
72.08141	0.9
77.03934	0.9
79.05485	1.6
81.03421	0.8
85.02910	2.0
86.09712	1.4
87.00852	0.6
91.05506	0.7
94.06573	0.7
95.04968	2.2
97.02893	0.7
105.04542	0.8
107.04959	100.0
107.08581	0.9
108.05259	1.6
109.02895	1.1
109.10128	0.7
110.07103	0.8
119.04980	1.9
120.08149	1.2
123.04428	1.2
127.03911	0.8
130.06532	14.4
132.04475	4.8
134.06064	1.1
136.07564	1.1
146.06026	0.7
147.04422	5.1
148.07596	2.1
157.07613	4.3
158.06010	13.3
159.02998	0.6
159.09204	1.1
164.07095	1.4
165.05492	1.5
175.08673	21.5
175.10156	1.3
185.11784	1.9
185.15451	0.9
186.05553	1.1
187.08740	0.8
188.07179	1.1
203.08182	3.0
204.06628	0.9
221.09227	32.1
222.09537	0.8
235.13364	0.7
236.10733	1.2
275.36401	0.6
281.12930	2.1
309.12326	0.9
327.13434	12.7
339.18381	0.7
433.17142	1.2
437.18970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35592	1.2
53.55582	1.3
55.05506	3.6
57.03436	1.4
57.07080	1.6
59.87562	1.4
67.05512	8.1
69.07065	4.3
70.69502	4.0
79.05507	8.3
79.13393	1.5
81.07064	9.3
83.08623	2.5
91.05480	6.0
93.07040	9.7
95.08606	9.4
96.60913	1.2
98.98472	8.3
102.04685	2.7
103.05468	9.6
105.07029	6.8
107.04964	11.9
107.08598	5.5
109.06521	1.8
109.10162	4.6
116.80907	1.2
117.07037	2.1
118.04184	8.0
118.04916	1.3
119.04931	3.4
119.08598	2.7
121.06519	1.4
121.10155	4.7
122.03627	1.4
123.04446	3.2
123.08128	1.5
123.11692	1.8
124.54557	1.2
129.07024	1.4
130.04146	4.4
131.04933	19.3
131.08560	1.7
133.06458	2.6
133.10086	1.8
135.11690	2.6
137.06009	3.8
145.06413	1.9
145.10176	2.2
147.04449	4.8
148.05162	3.9
149.13263	1.8
151.03920	1.6
153.07002	3.2
155.01041	1.8
159.19803	1.8
161.05975	2.1
161.13277	2.5
163.07535	3.8
165.07112	1.6
167.07048	22.2
173.02110	1.7
173.05963	2.2
173.13242	3.2
176.04694	12.1
179.07219	1.3
181.06429	2.9
187.14888	2.2
191.07040	91.3
192.07578	2.6
193.08633	2.5
198.06812	4.0
199.07533	3.1
209.05934	2.1
211.07774	1.9
213.09029	2.1
223.07535	2.4
224.08330	2.3
225.05554	2.4
227.06989	2.2
236.08389	1.6
237.09151	1.5
239.10713	6.0
241.08549	23.8
242.09329	7.3
243.21159	2.3
247.07474	2.0
251.10701	1.7
261.22244	5.8
262.18112	1.4
263.16565	1.4
264.07837	4.3
269.09793	2.1
270.10547	2.0
279.10187	20.6
281.09628	4.6
283.11102	2.0
287.10770	2.9
297.08923	11.0
298.09869	10.9
299.10651	5.2
310.10077	2.6
311.10602	2.8
312.11398	1.9
313.08862	2.0
313.12198	21.4
314.09406	2.0
315.10040	4.1
315.13751	1.6
323.10699	4.3
325.08633	5.2
326.09381	11.4
327.10107	4.5
329.11893	2.1
330.12283	3.1
335.25830	10.6
337.08499	2.0
338.09436	4.5
339.10263	6.8
339.79962	1.7
340.11053	3.4
341.11749	16.7
342.12411	4.8
343.09766	4.7
344.10361	2.1
345.15320	2.1
353.08112	1.7
353.11761	13.5
354.08768	13.2
354.12186	1.4
355.09656	4.8
355.13467	2.2
357.11215	5.6
358.12100	10.4
359.12625	2.8
367.09674	1.9
368.10504	3.0
369.11218	60.7
370.11990	27.3
371.12885	7.1
373.14371	9.4
383.12833	2.7
385.10565	2.8
386.11542	9.9
387.12329	4.8
401.13849	100.0
402.14539	11.6
403.11694	2.5
405.17017	4.3
415.32040	2.7
418.14218	4.4
433.16516	69.6
434.16843	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	433.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
57.03449	2.6
67.05504	9.9
69.07079	6.0
71.48221	4.0
79.05484	11.6
81.07059	10.9
83.05004	2.7
88.33719	2.7
91.05478	11.6
93.07055	9.4
95.04975	3.4
95.08612	11.8
96.55906	2.7
97.06513	3.3
103.05470	8.3
104.80068	2.8
105.07039	20.2
107.04980	15.0
107.08582	9.3
109.10181	7.3
113.21930	2.7
115.05463	3.4
117.06990	2.8
118.04135	4.4
119.05003	3.8
119.08591	7.2
121.10151	5.8
123.04439	4.5
123.11708	3.9
124.05231	3.3
131.04935	15.8
131.08537	4.9
133.06506	11.9
133.10089	4.4
135.11732	4.5
137.06003	10.0
137.13350	2.8
144.02263	2.5
145.10141	3.7
147.04404	3.8
147.11696	2.9
153.07066	3.9
157.10117	3.1
159.11652	3.4
161.06001	10.5
161.40100	2.8
165.07030	3.5
167.07050	56.6
173.06056	4.6
173.13278	4.4
174.43643	2.8
176.04669	9.1
181.06572	5.7
182.07283	3.4
183.11755	3.3
189.16377	3.9
191.07040	85.1
191.08289	3.1
193.08578	20.1
193.10074	3.0
195.08125	5.1
195.11832	3.1
207.08121	5.2
211.07396	3.4
223.07523	6.5
224.08484	2.8
225.05302	3.6
237.09178	4.0
239.06946	4.1
239.10712	6.0
241.08585	30.8
242.09370	7.8
247.07439	4.3
251.10782	6.4
264.07678	4.3
273.90845	2.4
279.10190	22.4
287.10583	3.1
297.09048	12.3
298.09933	11.7
299.10431	3.2
309.09116	3.9
311.10880	3.6
313.12210	13.5
314.13013	2.8
315.10199	4.6
325.08737	3.9
326.09460	8.0
327.10129	4.9
338.09393	4.0
339.10312	4.2
341.11691	17.5
342.12338	5.6
343.09570	4.9
353.11780	13.4
354.08942	7.4
355.09717	5.8
358.11954	7.4
369.11237	63.9
370.11905	19.8
371.12888	3.3
372.13702	3.2
373.14316	6.8
382.78549	3.7
386.11597	5.9
387.12247	5.6
397.30951	4.1
401.13882	100.0
402.14450	13.1
403.11325	2.8
405.12769	3.4
405.17328	4.4
418.14151	3.4
433.16507	74.4
433.27542	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	433.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35592	1.2
53.55582	1.3
55.05506	3.6
57.03436	1.4
57.07080	1.6
59.87562	1.4
67.05512	8.1
69.07065	4.3
70.69502	4.0
79.05507	8.3
79.13393	1.5
81.07064	9.3
83.08623	2.5
91.05480	6.0
93.07040	9.7
95.08606	9.4
96.60913	1.2
98.98472	8.3
102.04685	2.7
103.05468	9.6
105.07029	6.8
107.04964	11.9
107.08598	5.5
109.06521	1.8
109.10162	4.6
116.80907	1.2
117.07037	2.1
118.04184	8.0
118.04916	1.3
119.04931	3.4
119.08598	2.7
121.06519	1.4
121.10155	4.7
122.03627	1.4
123.04446	3.2
123.08128	1.5
123.11692	1.8
124.54557	1.2
129.07024	1.4
130.04146	4.4
131.04933	19.3
131.08560	1.7
133.06458	2.6
133.10086	1.8
135.11690	2.6
137.06009	3.8
145.06413	1.9
145.10176	2.2
147.04449	4.8
148.05162	3.9
149.13263	1.8
151.03920	1.6
153.07002	3.2
155.01041	1.8
159.19803	1.8
161.05975	2.1
161.13277	2.5
163.07535	3.8
165.07112	1.6
167.07048	22.2
173.02110	1.7
173.05963	2.2
173.13242	3.2
176.04694	12.1
179.07219	1.3
181.06429	2.9
187.14888	2.2
191.07040	91.3
192.07578	2.6
193.08633	2.5
198.06812	4.0
199.07533	3.1
209.05934	2.1
211.07774	1.9
213.09029	2.1
223.07535	2.4
224.08330	2.3
225.05554	2.4
227.06989	2.2
236.08389	1.6
237.09151	1.5
239.10713	6.0
241.08549	23.8
242.09329	7.3
243.21159	2.3
247.07474	2.0
251.10701	1.7
261.22244	5.8
262.18112	1.4
263.16565	1.4
264.07837	4.3
269.09793	2.1
270.10547	2.0
279.10187	20.6
281.09628	4.6
283.11102	2.0
287.10770	2.9
297.08923	11.0
298.09869	10.9
299.10651	5.2
310.10077	2.6
311.10602	2.8
312.11398	1.9
313.08862	2.0
313.12198	21.4
314.09406	2.0
315.10040	4.1
315.13751	1.6
323.10699	4.3
325.08633	5.2
326.09381	11.4
327.10107	4.5
329.11893	2.1
330.12283	3.1
335.25830	10.6
337.08499	2.0
338.09436	4.5
339.10263	6.8
339.79962	1.7
340.11053	3.4
341.11749	16.7
342.12411	4.8
343.09766	4.7
344.10361	2.1
345.15320	2.1
353.08112	1.7
353.11761	13.5
354.08768	13.2
354.12186	1.4
355.09656	4.8
355.13467	2.2
357.11215	5.6
358.12100	10.4
359.12625	2.8
367.09674	1.9
368.10504	3.0
369.11218	60.7
370.11990	27.3
371.12885	7.1
373.14371	9.4
383.12833	2.7
385.10565	2.8
386.11542	9.9
387.12329	4.8
401.13849	100.0
402.14539	11.6
403.11694	2.5
405.17017	4.3
415.32040	2.7
418.14218	4.4
433.16516	69.6
434.16843	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	433.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95936	1.4
53.03971	1.7
55.01882	1.5
55.05515	3.4
55.47102	1.3
67.05503	10.0
69.07085	3.3
69.84555	1.2
70.33540	4.3
72.25794	1.6
79.05501	11.8
81.07071	16.5
83.28652	1.4
91.05473	7.6
93.07040	9.6
95.08604	12.7
97.06543	2.6
98.03274	1.4
98.98486	8.8
102.04683	2.5
103.05472	11.1
105.07039	8.6
107.04958	10.9
107.08595	6.3
109.10181	5.0
117.07071	2.6
118.04167	5.9
119.08554	2.0
121.06579	1.6
121.10146	5.4
123.04478	3.5
123.11687	2.0
130.04137	3.0
131.04942	22.3
131.08571	4.3
133.06471	1.8
133.10103	3.0
135.08029	1.6
135.11685	2.2
137.06003	4.9
143.08611	1.6
145.10182	3.3
147.04425	5.5
147.11798	2.4
148.05157	2.2
149.13321	2.2
153.07005	2.6
157.06494	1.5
157.10138	1.7
159.04451	2.8
159.11668	1.9
161.06010	2.7
161.13281	2.0
163.07574	3.8
167.07065	24.4
169.06654	1.8
173.06030	3.0
176.04718	11.6
177.05504	1.8
179.07117	1.7
179.08598	1.7
181.06462	3.5
182.07356	1.5
187.07529	1.4
187.14856	1.7
191.07047	77.5
192.07596	2.2
195.07983	1.9
197.06007	2.1
198.06781	3.4
213.09178	2.1
223.07555	1.9
224.08397	2.4
227.07146	2.4
235.07491	1.7
236.08383	2.3
239.10672	4.9
241.08594	24.3
242.09227	7.4
243.21164	1.7
246.70996	1.5
247.07704	2.8
251.10748	4.8
261.22192	6.4
264.07971	2.1
265.08444	1.7
269.09601	3.0
279.10187	20.3
279.35767	1.4
281.09653	4.1
287.10773	2.8
297.09039	8.8
298.09836	9.8
299.10681	4.1
309.09012	2.8
310.09964	2.0
311.10703	4.5
312.11487	4.5
313.12241	17.3
314.12869	2.2
315.10260	3.9
321.09143	1.6
323.10736	4.4
325.08554	4.1
326.09399	10.2
327.10138	6.8
328.10876	2.2
329.11743	3.5
335.25824	16.8
337.08768	1.7
338.09369	4.5
339.10211	5.6
340.10886	3.6
341.11792	17.4
342.12439	4.3
343.09567	6.8
345.14716	2.0
351.10120	2.4
353.08096	3.3
353.11761	13.7
354.09009	12.4
355.09720	4.2
355.13467	3.6
356.10190	2.1
357.11285	7.6
358.12039	8.4
359.12817	2.0
367.09787	1.7
368.10327	1.8
369.11240	64.1
370.07681	2.6
370.12009	24.4
371.12869	5.9
373.14362	9.4
375.12314	3.0
383.12671	2.4
386.11697	8.8
387.12296	4.9
401.13885	100.0
402.14594	11.0
403.11743	1.6
405.17224	4.0
415.32349	2.0
418.14496	3.7
423.13239	1.4
433.16495	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	433.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.09256	0.7
69.03409	0.8
69.22192	2.4
69.22626	4.2
70.06586	1.6
72.08144	1.6
79.05489	1.5
81.03423	1.2
85.02901	2.6
86.09730	0.7
86.73716	0.7
88.21862	0.7
91.05481	0.7
95.04982	1.7
97.02884	1.1
105.04541	1.1
107.04967	100.0
108.05305	0.8
118.06556	0.7
120.08169	1.0
123.04382	0.9
127.03913	0.7
130.06540	17.7
132.04460	4.1
134.06035	1.1
136.07626	0.8
137.05954	0.7
137.73273	0.6
144.08165	0.7
146.06088	1.0
147.04387	3.5
148.07607	1.8
157.07581	4.0
158.06020	17.9
159.09187	1.6
164.07086	1.5
165.05467	1.0
166.41687	0.7
175.08687	28.1
176.07237	0.8
185.11716	1.2
185.15367	0.8
186.05450	1.0
187.08772	0.7
188.07138	0.9
203.08211	4.2
204.06651	1.9
221.09242	38.9
236.10704	1.5
265.13278	0.8
281.13004	1.8
294.11188	0.7
309.12308	1.1
327.13428	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	433.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01870	1.6
55.05498	1.0
60.29788	0.7
67.05501	1.1
69.03419	3.1
69.07077	1.5
69.35103	7.0
70.06578	1.9
79.05482	3.0
81.03399	1.9
81.07049	1.4
83.04967	0.9
85.02910	1.9
86.09682	0.9
86.24036	1.0
90.98064	0.8
91.05484	0.9
93.07032	1.2
93.78146	0.7
94.06573	1.1
95.04957	1.2
95.08611	1.8
97.02886	1.7
97.06559	0.9
98.20747	0.9
101.75010	0.8
105.07042	1.0
107.04961	100.0
107.08622	1.0
108.05269	1.1
109.06481	1.5
109.10189	1.1
115.03901	1.2
118.06490	1.2
120.07986	1.1
121.06487	1.5
121.10117	0.9
125.06036	0.9
125.09631	1.1
130.06540	30.1
132.04475	8.2
134.06036	2.6
136.07562	1.5
137.05957	1.3
146.05995	2.4
147.04370	1.1
148.07539	2.6
157.06369	1.4
157.07610	16.6
158.06012	22.4
159.09186	4.1
164.07050	1.8
167.10663	1.5
175.07150	1.8
175.08679	37.5
183.08067	0.7
185.07173	1.1
185.11726	14.5
185.13246	1.4
186.05521	1.4
187.08658	1.0
188.07060	3.2
203.06213	1.4
203.08159	25.3
204.06575	2.4
211.07495	1.1
213.05495	1.2
221.09215	54.7
228.07877	1.8
234.95209	0.8
236.10722	4.7
239.07222	0.9
265.13412	1.9
271.06021	12.0
271.09647	13.7
271.19037	0.8
281.12881	2.7
287.05396	0.9
309.12283	6.0
323.54559	0.8
327.13394	18.9
401.13522	1.1
415.16574	1.7
433.15292	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	433.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01878	12.1
55.05512	19.5
57.07068	6.7
65.03953	2.0
67.05505	31.0
67.22232	2.0
69.03415	9.0
69.07072	31.5
70.07904	8.6
71.05009	2.5
79.05490	26.2
81.03414	4.4
81.07056	42.0
83.01321	2.2
83.04977	7.1
83.08614	9.2
85.02927	4.0
85.06553	3.8
91.05484	39.5
93.07047	24.6
95.04971	7.8
95.08610	33.7
97.02897	3.6
97.06525	6.0
97.10172	8.5
99.04446	2.6
99.08068	3.1
103.05470	7.1
105.07030	32.0
107.04969	10.7
107.08585	17.9
109.06510	8.0
109.10171	16.9
111.08086	4.2
115.05429	11.0
117.07021	15.7
119.04976	6.7
119.08580	17.5
121.02878	2.5
121.06490	7.4
121.10178	11.6
122.03601	2.7
123.04426	3.9
123.08060	5.7
123.11700	12.0
125.02296	3.6
125.06002	5.1
125.09578	3.9
127.03873	3.7
127.75614	2.0
128.06221	6.7
129.07031	15.5
131.04935	15.6
131.08556	18.6
133.06477	10.3
133.10126	8.9
135.04454	2.4
135.08040	6.2
135.11713	7.8
137.05991	15.3
137.09599	3.5
139.03894	7.6
141.07013	5.5
142.07788	6.0
143.04890	2.7
143.08589	10.5
144.05681	3.6
145.06453	12.4
145.10132	10.9
147.04387	5.2
147.08008	8.0
147.11728	16.3
149.02391	4.4
149.05981	3.9
149.09608	6.9
149.13329	4.2
151.03879	6.9
151.07448	4.7
153.05464	10.7
153.06970	4.4
154.07777	3.4
155.06056	2.7
155.08553	6.7
156.09367	2.9
157.06496	9.4
157.10159	10.6
158.07285	2.5
159.04399	6.9
159.08040	10.8
159.11694	6.8
161.05983	13.6
161.09622	6.6
161.13271	2.5
163.03922	7.6
163.07518	6.0
163.11183	3.8
165.05464	7.2
165.06953	5.1
165.12689	2.7
167.07018	14.7
167.08383	4.5
169.06522	4.3
169.10109	3.9
171.04482	4.6
171.08061	9.5
171.11761	4.6
173.05977	6.5
173.09662	13.9
173.13251	2.8
175.03972	5.6
175.07567	6.4
175.11214	4.4
177.05551	3.4
177.09071	3.9
177.12787	2.7
178.06285	3.3
179.07103	2.4
179.08586	2.7
179.10660	2.3
181.06519	4.3
181.10039	5.5
183.08054	4.9
183.11670	3.3
185.05977	4.4
185.09598	7.3
185.13338	2.5
187.03966	5.6
187.07573	9.0
187.11249	2.8
189.05460	6.9
189.07230	2.7
189.09079	4.9
189.12692	3.7
191.07004	36.2
191.10620	3.2
193.08653	8.7
195.08026	3.0
197.05997	5.3
197.09633	5.4
198.06746	2.9
199.03958	8.7
199.07565	8.6
199.11198	3.7
201.05452	7.1
201.09171	7.5
203.06996	5.1
203.10678	4.7
205.08568	4.3
209.09637	3.5
209.11545	2.9
209.13387	2.7
210.18875	2.1
211.07422	2.7
211.11201	5.0
211.14702	2.9
213.05510	6.4
213.09134	6.1
215.06898	4.0
215.10735	6.6
215.14360	2.4
217.04935	3.3
217.08490	10.3
219.10161	2.3
219.17570	2.2
223.07571	3.4
225.09093	7.6
227.07135	5.1
227.10692	9.4
229.04950	3.4
229.08652	6.0
231.06641	3.1
231.09987	4.8
237.09126	4.8
239.07050	7.4
239.10693	5.9
240.07845	2.1
241.08578	15.4
243.06425	2.7
243.10243	6.2
245.11725	3.6
249.07491	2.2
251.10609	2.7
253.08536	4.6
255.10207	6.0
255.17445	2.5
271.09683	2.5
273.18439	3.4
279.10117	7.6
281.11948	2.4
287.20074	2.4
289.07047	2.1
291.12384	3.9
311.12659	2.6
313.12064	2.5
315.19330	2.6
317.06494	4.1
325.08499	2.8
325.92056	2.5
326.09402	5.3
327.04987	3.0
327.19550	8.5
339.05038	3.2
341.11768	4.1
345.05933	4.1
351.19385	6.3
354.08093	3.2
355.09555	3.2
355.19025	14.3
358.12115	3.8
360.08234	2.5
363.14423	6.7
367.19070	12.7
369.11230	20.8
369.20535	7.9
370.11877	7.8
373.05475	3.7
373.14368	3.3
373.19827	6.5
379.19138	10.0
385.09189	8.4
385.19849	4.7
386.11526	5.6
387.07239	4.6
387.21677	3.4
388.07867	2.9
397.20093	25.8
397.30978	3.7
401.13882	36.7
402.14481	3.2
403.10272	69.4
405.16861	3.1
415.20999	20.2
415.25870	2.7
415.26797	2.4
415.32095	18.8
417.11591	3.4
418.12671	10.8
433.15222	100.0
433.22086	35.9
433.32907	15.7
434.15533	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	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06169	1.9
55.05517	12.0
56.99549	2.1
57.03440	14.2
57.07061	3.3
57.07505	2.4
59.51981	2.4
65.03949	2.9
67.05511	60.9
69.07073	11.7
69.76933	10.0
69.77357	3.6
70.42223	2.2
73.79013	2.2
76.72056	2.3
79.05501	30.7
81.06600	3.9
81.07060	67.7
83.08602	7.8
84.33310	2.8
91.05486	20.9
92.81743	2.0
93.07050	49.0
95.04974	2.6
95.08615	44.1
98.98474	86.5
99.08124	2.6
105.07047	14.6
107.08604	26.4
109.06563	3.2
109.09609	2.3
109.10177	25.8
117.07011	7.1
119.08574	14.8
121.10152	22.7
122.02857	2.1
123.11696	12.6
129.05498	2.5
131.08560	10.1
133.10085	10.8
135.11679	13.4
137.13258	3.6
145.10088	12.4
147.11694	8.1
149.13280	16.7
151.11237	2.6
155.01024	6.3
159.11710	8.6
161.13264	7.1
163.14836	8.7
173.02124	15.9
173.13284	12.1
175.14857	3.0
177.16316	3.0
187.14801	5.7
233.22632	3.1
235.16745	2.2
243.21016	19.0
261.22125	51.3
317.24545	10.6
335.25812	100.0
415.22369	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.84216	3.0
55.05521	12.7
55.38419	3.0
57.03445	15.8
57.07075	3.4
58.43987	3.0
61.69590	3.3
67.05509	56.2
69.07080	10.7
69.81915	18.0
74.12733	2.9
79.05491	32.2
81.07065	67.3
90.36238	2.9
91.05478	18.4
93.07043	37.4
95.08607	54.0
98.98476	96.9
105.07047	14.1
107.08605	33.6
109.06557	3.1
109.10172	22.5
111.74168	3.4
117.07043	6.5
119.08569	15.6
121.10143	23.0
123.11688	8.9
131.08594	15.0
133.10158	11.9
135.11713	16.7
145.10194	10.4
147.11708	5.2
149.13324	14.7
155.01057	11.3
159.11720	8.3
163.14893	10.0
173.02136	21.9
173.13309	12.8
187.14876	4.9
187.84192	3.6
233.22592	3.8
242.25098	3.9
243.21075	17.1
261.22156	53.2
277.21875	3.4
317.24753	9.7
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.05509	15.9
55.47576	3.1
57.03428	16.6
57.07074	6.8
65.03921	3.3
67.05511	75.5
69.06766	2.9
69.07082	26.1
69.39552	13.3
69.39977	11.9
74.45929	3.0
79.05495	48.2
81.07058	78.3
83.04982	3.0
83.08619	8.1
86.09700	4.0
91.05477	28.8
93.07056	60.4
95.04959	6.0
95.08614	76.0
97.06512	6.4
97.10196	5.7
98.98474	83.1
103.05482	19.2
105.07028	30.7
107.04948	11.7
107.08599	42.5
109.06492	4.8
109.10163	23.0
115.05423	4.6
117.07038	16.2
118.04163	7.1
119.04921	3.8
119.08578	17.3
119.10113	3.4
121.10149	30.3
123.04401	4.8
123.08072	3.6
123.11740	11.0
125.06036	4.0
129.06967	4.8
130.04160	5.7
131.04932	25.5
131.08545	18.5
133.06471	7.8
133.10138	10.4
135.11664	17.0
137.05972	13.4
137.13252	5.1
145.10114	14.6
147.11691	11.9
149.13286	16.2
155.01033	11.1
159.11708	9.6
161.05988	4.0
161.13248	12.7
163.07518	13.0
163.11147	3.6
163.14822	12.8
167.07034	26.4
173.02115	13.7
173.13239	13.6
176.04706	9.6
181.06487	5.5
187.14844	3.7
191.07047	78.5
193.08597	14.1
199.07588	4.4
223.07654	5.7
233.22742	3.6
239.10762	7.1
241.08621	28.2
242.09300	5.8
243.21053	28.0
247.07556	3.5
261.22159	49.4
264.07785	6.6
279.10184	18.2
281.09586	5.2
297.09113	5.5
298.09897	12.0
299.10989	5.5
310.10086	4.3
311.10693	3.2
313.08673	5.1
313.12192	21.1
315.10168	5.0
317.24707	11.4
321.09067	3.6
325.08566	5.5
326.09262	7.6
327.10168	5.4
335.25806	100.0
335.74487	3.3
336.26123	5.2
339.10202	4.9
340.11157	4.8
341.11719	12.0
343.09576	6.0
350.56110	3.1
351.09921	3.5
353.11517	11.3
354.08844	14.3
355.09586	5.6
357.10907	4.6
358.11914	8.2
368.10458	3.9
369.11310	57.0
370.11938	19.8
373.14209	8.6
386.11435	6.9
387.12231	4.0
387.32159	4.8
401.13855	99.0
402.14542	9.6
405.16840	4.2
415.31998	7.3
433.16513	58.2
433.33145	4.2
435.65393	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	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05521	11.1
55.56524	2.3
57.03430	8.4
57.07077	3.1
59.20230	1.9
65.03950	1.8
67.05509	51.9
69.07071	11.1
72.91618	1.8
74.68134	2.1
79.05505	35.5
81.07058	55.9
83.08651	5.1
85.06528	2.5
91.05480	17.9
93.07049	46.1
93.07635	2.3
95.08612	39.7
97.06559	2.9
98.98476	100.0
105.07038	18.5
106.91975	2.1
107.04945	3.2
107.08598	31.5
109.10184	18.1
113.09682	2.2
117.07024	5.7
119.08597	13.2
121.10149	23.2
123.11741	10.8
129.17157	2.0
131.08557	12.1
133.10143	15.5
134.87047	1.9
135.11700	14.9
137.13345	4.3
141.70804	2.1
145.10164	11.7
147.11700	7.6
149.13272	13.1
155.01050	22.4
158.36659	1.9
159.11710	14.2
161.13249	8.9
163.14859	11.5
173.02107	23.0
173.13252	8.6
175.14832	4.1
177.16376	3.6
187.14819	5.5
219.17488	2.3
233.22649	3.7
243.21158	19.0
259.34677	1.9
261.22147	64.9
317.24747	5.9
335.25818	46.1
384.01282	1.9
415.22488	7.4
423.24380	2.2
433.27881	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.05511	37.1
59.05006	59.4
66.95378	3.0
66.96217	3.4
67.05512	15.7
69.07087	6.0
69.18088	30.4
72.95889	3.2
79.05506	18.5
81.07059	19.1
83.08575	3.9
85.06549	100.0
91.05490	42.6
93.07036	31.1
95.04981	6.0
95.08615	18.7
99.08112	4.7
105.07048	43.1
107.08607	27.4
109.06488	8.3
109.10175	21.8
111.08080	8.9
115.05467	6.7
117.07035	16.1
117.37672	3.6
117.68074	2.9
119.08588	73.6
121.10151	27.4
123.08080	9.6
123.11687	5.6
125.09629	30.0
129.06987	8.2
130.07744	4.5
131.08592	20.4
133.10127	26.8
135.08055	9.1
135.11739	14.6
137.09639	21.0
141.06993	4.9
142.07741	13.7
143.08598	23.5
145.10135	31.7
147.08029	6.2
147.11688	9.5
149.09598	9.7
151.11185	29.9
153.06960	4.6
154.07681	3.8
155.08543	9.5
156.09329	7.4
157.10152	24.1
159.08046	4.3
159.11758	14.9
161.09612	6.4
163.11200	8.5
165.06946	3.7
167.08493	4.2
168.09285	5.3
169.10136	11.6
170.10957	4.3
171.11674	23.1
171.12953	4.2
173.13277	6.4
175.11139	4.9
175.14812	3.2
177.12706	5.5
179.08545	10.1
180.09328	4.2
181.10109	8.3
182.10913	6.6
183.11687	11.2
185.13229	12.7
187.14804	5.0
189.12762	6.0
193.10155	8.9
194.11023	4.4
195.11691	10.0
197.13237	11.7
199.14868	5.6
203.14389	3.9
206.10838	4.1
207.11702	6.0
209.13254	12.5
211.14807	6.2
213.12822	5.1
215.14333	6.5
219.11656	4.7
221.13275	8.5
223.14818	5.6
225.16287	4.9
233.13252	4.4
235.14732	6.1
237.16446	3.8
241.15930	4.1
249.16406	4.9
261.16394	5.0
341.30795	2.9
354.25644	3.4
363.65735	3.2
366.78415	3.5
433.31107	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	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17636	1.3
53.03942	4.0
55.05516	29.8
57.07073	2.7
59.05007	56.3
65.03935	2.0
67.05497	15.4
69.03434	3.7
69.07092	7.6
71.00096	1.5
71.04990	2.7
71.08617	1.6
71.48956	2.3
72.87093	1.4
73.06576	2.2
77.03927	1.6
79.05501	13.3
81.07063	17.3
83.04951	2.3
83.08617	5.9
85.06549	100.0
91.05488	43.0
93.07049	31.3
95.04986	6.7
95.08611	23.3
97.06532	2.4
97.10159	3.0
99.08083	4.0
101.06034	1.3
103.05463	5.0
105.04594	2.2
105.07033	39.7
107.04957	3.0
107.08611	21.6
109.06521	10.1
109.10173	18.3
111.08105	9.4
115.05451	5.1
117.07036	15.4
119.08596	61.8
121.06516	2.6
121.10164	21.8
121.36916	1.5
122.07336	2.9
123.08047	7.9
123.11675	2.9
125.08226	1.5
125.09647	26.2
128.06190	7.7
129.07008	9.3
130.07755	5.2
131.08572	20.3
133.10150	20.4
135.08063	5.5
135.11688	9.0
137.09618	20.2
141.07028	4.7
141.09007	1.6
142.07791	12.6
143.08571	20.7
144.09352	4.2
145.10136	28.2
147.08051	4.1
147.11674	10.5
149.09583	9.3
151.07549	1.9
151.11201	28.5
153.07010	1.8
154.07729	2.6
155.08592	7.9
156.09363	8.2
157.10155	24.5
157.50330	1.6
158.10939	1.5
159.08083	2.5
159.11678	13.5
161.09660	5.0
161.13229	4.4
163.11186	7.8
165.07018	4.0
165.72519	1.4
166.07787	2.3
167.07112	1.8
167.08531	4.3
168.09380	3.7
169.10124	11.9
170.10925	4.4
171.11678	19.1
173.09560	2.7
173.13290	10.3
175.11188	4.8
175.14825	2.0
177.12708	2.0
179.08559	6.7
180.09283	3.6
181.10139	9.5
182.10904	4.1
182.26086	1.6
183.11694	12.8
185.13295	9.6
187.11130	2.3
187.14900	3.0
189.12776	5.3
191.08578	2.4
193.10176	6.2
194.10927	4.5
194.69096	1.4
195.11749	10.0
196.12392	2.3
197.13254	9.3
199.14844	2.5
201.12767	3.8
203.14383	8.7
206.10950	4.7
207.11691	6.2
208.12437	2.0
209.13310	13.2
210.13942	1.9
211.14842	5.8
213.12788	2.3
215.14346	5.3
219.11716	1.9
220.12445	2.9
221.13271	6.8
223.14864	6.2
225.16455	3.4
227.14436	1.5
232.12744	1.8
233.13152	4.0
235.14812	7.0
237.12607	1.7
237.16541	2.1
247.14737	2.9
249.16324	2.9
253.15941	2.1
261.16397	3.0
263.17929	1.9
265.19492	3.6
267.17493	1.9
275.20148	2.2
287.17953	1.7
291.21350	1.7
341.24469	1.8
354.25568	1.6
385.63989	1.4
401.28284	2.4
401.77307	1.7
415.29996	2.0
433.30521	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05030	0.7
60.04514	1.5
61.02919	0.4
61.79164	0.4
67.05499	2.0
69.03414	1.5
70.06585	2.0
71.48476	0.9
72.08168	2.7
74.06078	1.0
81.03381	0.5
81.07043	0.6
84.04495	0.8
84.08147	0.8
85.02923	2.3
86.09703	4.9
87.05651	0.5
87.10021	0.7
93.07012	0.5
95.08611	4.6
97.02887	1.0
100.02196	0.6
103.05497	0.6
105.07029	1.2
107.04958	8.8
110.07154	0.6
122.02747	2.1
122.06044	0.6
123.04416	0.6
123.08073	8.5
127.03934	0.7
129.10214	0.8
131.04932	1.3
138.51469	0.4
150.05585	0.5
151.07545	100.0
152.07883	1.9
163.03934	0.5
186.16676	0.4
201.12350	0.5
216.09845	0.5
272.09427	4.0
284.07883	1.7
312.14441	0.8
313.12814	21.2
434.16959	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	434.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
55.05508	0.5
57.03429	0.8
60.04483	0.5
61.02926	0.7
62.96701	0.3
67.05509	2.0
69.03432	2.0
70.06590	2.8
70.86198	0.7
70.86543	0.9
72.08144	0.9
76.02222	1.6
81.07059	0.6
84.04485	0.5
84.08152	0.6
85.02909	5.0
86.09711	0.9
86.99065	0.4
91.05482	0.6
93.07037	0.5
94.06512	0.6
95.08608	3.9
97.02892	1.5
98.97557	0.4
100.02196	1.4
103.05515	0.7
105.00092	0.7
105.07031	1.3
107.04955	3.8
110.70001	0.5
114.10165	0.4
116.59426	0.4
120.08100	0.5
122.02733	7.8
122.06062	0.6
123.08075	6.4
127.03947	0.8
129.10187	0.4
131.04933	2.3
134.06027	0.6
136.07513	0.5
137.11876	0.4
140.03734	0.4
145.04907	0.5
146.02744	2.0
150.05519	3.5
151.07552	100.0
152.07913	1.4
162.02348	0.4
164.03748	1.0
177.50134	0.4
179.04927	1.2
230.04880	0.5
240.07451	0.5
248.05792	0.4
272.09338	3.9
284.08020	5.7
378.24362	0.5
434.14481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74021	1.9
55.01873	2.9
57.03434	9.3
68.74892	2.2
69.03401	3.5
69.19358	4.2
69.19762	20.4
70.06590	8.8
72.08157	3.4
75.04464	4.4
81.03422	2.6
83.04955	4.0
84.04512	3.5
84.08141	9.7
85.02908	15.7
86.09708	6.3
87.10128	2.7
91.05479	9.5
93.07044	2.7
97.02915	6.7
98.05956	2.6
103.05469	29.7
105.06995	3.5
107.04961	10.9
109.06475	2.5
110.03689	5.5
110.07153	16.8
113.51456	2.2
115.81917	2.2
119.04947	10.5
120.08130	4.6
121.06493	4.5
123.04430	8.7
124.05219	2.7
127.03921	4.2
128.04262	2.3
129.10252	4.1
131.04933	100.0
137.05968	18.1
138.06752	18.7
148.05237	12.9
149.09630	4.0
151.07515	8.4
161.06010	3.1
163.07542	65.1
166.06212	22.9
166.08606	2.5
179.07053	9.4
181.08591	35.1
219.10091	3.8
237.11263	14.0
255.12300	53.2
255.15016	2.5
269.10635	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01861	5.6
57.03440	4.9
61.02930	5.8
67.05503	1.0
68.99775	2.6
69.03431	35.5
69.16125	9.9
70.06582	3.2
71.04993	4.3
73.02907	4.1
81.03416	19.0
81.07050	3.5
82.12811	0.9
85.02905	100.0
87.00827	45.2
91.03990	1.3
95.04987	1.0
95.08652	1.0
96.35728	1.1
97.02889	28.1
99.04459	13.0
105.01865	68.4
107.04958	3.9
107.08569	1.3
109.02884	28.0
109.10168	2.7
111.08060	3.3
117.01848	2.1
122.39631	0.9
123.08046	1.0
123.11710	12.2
127.03916	77.6
129.01852	2.8
131.04883	1.4
134.88254	0.9
145.04958	32.1
147.02885	2.7
151.11108	2.1
159.02901	11.5
167.07057	1.1
169.12230	11.0
171.02815	0.8
177.03986	1.8
177.05458	0.9
181.05035	1.9
189.03960	3.6
212.10677	2.5
213.03935	6.5
231.02724	1.6
231.05009	30.5
231.07260	2.2
233.08026	2.1
235.12910	0.9
247.46820	1.2
249.06081	12.3
254.11681	1.5
257.10452	4.1
257.12946	1.0
272.12790	21.3
277.14316	2.2
381.15417	2.2
399.16418	2.1
417.15845	1.5
429.37692	1.0
434.18085	5.1
435.06885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14031	15.1
67.05510	22.6
69.03429	15.7
69.49323	31.2
69.49725	75.9
70.06589	24.4
71.04982	35.6
71.24684	12.2
75.98067	11.9
78.68257	11.8
79.05473	40.5
81.07056	58.4
85.02893	60.9
85.06530	19.1
91.05469	34.9
93.07026	37.9
95.08607	50.7
105.06995	65.7
107.04955	47.3
107.08593	59.8
109.10155	31.0
119.08552	28.0
120.08081	14.7
121.10167	47.9
124.07619	12.5
125.09606	24.6
127.03886	13.5
131.08553	15.6
133.10143	88.4
143.10657	55.5
145.10127	17.1
147.11664	27.7
149.13243	33.9
151.11165	19.2
159.11696	21.8
167.14325	98.3
201.16290	22.3
211.08641	16.3
212.41310	12.2
219.17444	100.0
220.48820	14.6
237.18416	24.9
238.09975	21.1
253.10036	13.5
254.09967	42.9
271.10635	14.2
272.10925	32.8
273.11081	14.9
287.05472	36.9
288.05862	91.1
400.01556	15.6
434.16733	18.4
435.07184	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.89683	2.5
53.03955	7.6
55.01883	6.1
55.05527	4.4
65.03945	11.1
67.05508	7.8
69.03426	4.4
69.92544	5.7
69.92942	4.4
70.06607	4.3
75.04484	2.7
78.04729	5.6
79.05500	12.3
81.03446	8.4
81.07092	4.4
85.02912	14.5
89.06055	3.0
91.05481	25.9
93.03408	18.0
93.07080	9.2
95.04984	11.8
95.08672	2.6
97.02949	2.7
97.06561	7.3
100.11294	8.0
102.51342	2.2
103.05495	8.5
105.03423	3.0
105.07100	3.6
106.04184	41.7
106.04870	2.9
107.04967	34.4
108.02110	2.2
109.06532	4.2
110.03748	2.7
111.04470	3.0
115.05520	3.4
116.07041	2.4
117.07063	5.6
119.04974	4.5
119.08601	4.5
120.02156	2.4
120.08123	2.1
121.06512	35.1
121.07287	3.6
123.04478	7.4
125.06017	13.7
127.03956	7.1
129.07036	3.3
131.04973	5.7
131.08539	4.2
133.02910	4.5
133.06557	6.5
134.03693	6.7
135.04466	2.8
135.08130	2.6
137.06029	8.2
138.03195	3.0
138.06691	2.5
139.07565	2.5
140.04829	2.6
142.02632	2.4
144.05757	2.8
145.06528	7.5
147.04440	9.5
148.05240	3.5
149.06007	52.1
149.07137	3.3
151.07571	3.4
153.05507	6.0
153.09138	11.3
155.73343	2.3
157.06525	2.8
159.08084	5.8
161.06023	3.9
165.05539	3.8
167.07053	46.6
167.08455	3.6
171.06601	3.6
172.05217	9.3
173.05998	6.2
177.05490	31.0
177.09064	3.7
181.04982	100.0
181.08528	26.1
182.15521	2.8
187.07564	4.9
189.05516	2.8
191.07124	6.4
200.04788	3.6
201.05560	6.4
205.08687	4.3
207.09808	2.6
208.07362	6.0
209.08102	85.9
210.14925	6.0
217.08501	3.6
218.05788	2.8
219.10226	5.1
221.08124	5.5
225.07686	5.1
226.08441	3.3
233.08113	50.8
255.10258	5.1
263.09290	9.0
272.06540	3.0
273.07352	4.1
296.72803	2.5
355.11807	2.8
367.11761	4.2
387.14621	7.1
394.25308	2.7
399.14545	4.6
417.15515	23.0
435.16183	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	435.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.55227	0.8
55.01865	2.5
55.05503	1.6
55.31283	0.9
56.05043	12.6
58.06591	0.7
59.52007	0.8
59.93096	0.7
60.05660	0.9
60.67443	0.7
67.05527	0.9
69.03430	1.1
69.07068	1.5
69.88599	3.7
70.06590	6.0
72.08151	1.9
73.02896	0.8
79.05492	3.4
81.07042	4.1
83.08607	0.9
84.04476	0.7
84.08135	1.1
85.02900	1.9
85.07668	29.6
86.09695	2.3
91.05460	1.2
93.07007	1.6
95.04954	2.1
101.07139	1.4
103.03903	0.9
107.04958	100.0
108.05276	1.6
109.06516	3.1
110.05983	1.0
110.09669	1.5
112.11244	5.4
119.08564	0.9
120.08114	3.1
121.06460	0.9
124.07585	1.1
126.12814	4.5
126.68996	0.8
131.08598	0.9
136.07574	1.6
137.05934	1.0
137.09671	1.6
138.09149	0.9
139.07483	2.3
139.08627	1.2
142.04979	0.9
147.07959	0.8
150.09106	1.4
155.15392	1.3
162.09143	4.5
164.10764	0.9
165.10294	1.0
166.08650	1.4
177.22981	0.9
178.12230	1.5
181.08623	3.0
181.13383	2.4
182.08208	1.2
184.09723	7.8
191.11873	2.0
193.08698	1.4
194.11803	4.2
195.12698	0.8
199.09714	1.9
206.11774	1.3
210.13918	0.9
211.14551	1.0
222.11235	5.4
224.12808	3.2
238.10754	2.2
247.14461	1.6
254.13914	1.6
256.11792	3.0
261.19708	5.4
265.15527	1.5
271.06082	1.5
272.06247	1.2
273.06885	2.5
273.10922	1.8
275.13910	0.9
276.11990	1.1
278.13986	1.9
287.64975	0.7
293.14963	27.8
294.13333	5.0
296.15005	2.2
309.88736	0.7
311.15994	41.5
312.16373	1.0
314.15875	1.0
329.17212	1.3
357.18381	1.1
399.19232	6.8
417.20209	17.3
435.21347	28.5
435.26736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89021	3.3
53.86002	2.8
55.05515	24.5
57.03430	14.7
57.07069	5.3
59.07606	3.3
65.03928	5.0
67.05507	54.4
69.07069	21.3
70.74532	9.7
79.05491	17.1
81.07059	63.0
83.08611	14.5
87.36241	3.8
89.45858	3.5
89.99113	3.6
91.05496	17.5
93.07040	19.4
95.04994	5.2
95.08611	51.2
97.06562	4.6
97.10157	7.5
98.98471	79.5
105.07037	15.1
107.08598	13.9
108.35266	3.4
109.06508	10.9
109.10143	21.6
111.08106	4.2
117.06990	4.7
119.08575	13.9
120.92571	3.3
121.10170	14.8
123.11696	12.2
131.08603	5.6
133.10159	7.5
135.11700	7.2
137.13237	6.0
145.10147	6.3
147.08107	3.3
147.11749	6.2
155.01082	13.2
159.11781	3.8
161.13254	5.7
161.18181	3.3
163.14757	3.5
165.16411	3.3
169.10150	4.1
173.02112	11.5
173.13145	4.9
175.14801	8.2
177.12767	3.7
185.13414	4.4
189.50075	3.4
200.75992	3.5
245.22639	11.4
263.23639	21.0
311.45538	3.8
337.27374	100.0
435.28439	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	435.2508
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.66093	3.1
54.23030	3.5
55.05516	18.4
57.03431	12.2
57.07076	7.4
67.05507	48.6
69.07062	20.3
71.32963	6.9
75.98081	4.0
79.05494	16.8
81.07057	49.7
83.08610	13.9
91.05483	11.0
93.07043	13.5
95.08614	41.5
97.10177	9.3
98.97870	5.5
98.98471	68.1
105.07012	6.6
107.08598	8.5
109.06511	5.0
109.10209	17.1
111.10709	3.2
113.44379	3.5
116.46198	3.6
119.08596	7.2
121.10117	10.7
121.73090	3.7
123.08118	3.2
123.11687	8.1
124.29253	3.5
133.10068	6.5
135.11684	4.3
137.13217	3.5
147.11691	7.2
149.13194	5.1
155.01030	11.1
163.14822	5.1
173.02122	10.7
175.14685	4.9
245.22635	11.6
263.23749	16.5
337.27374	100.0
417.40097	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01867	6.0
55.05517	62.5
57.07085	62.9
67.05508	40.7
69.03423	5.2
69.07073	91.6
69.52111	26.0
70.66477	3.6
71.04990	4.9
71.08642	36.7
75.64556	3.6
79.05484	22.6
81.07068	95.7
83.04978	23.2
83.08626	54.6
83.43735	3.6
85.10199	18.0
89.06020	9.0
91.05494	18.4
93.07061	37.4
95.04968	4.3
95.08613	100.0
97.06539	14.0
97.09564	5.4
97.10175	43.3
99.04459	30.5
100.27902	3.8
105.07048	29.3
107.08604	31.0
109.06523	14.3
109.10159	59.5
110.85322	3.8
111.04451	23.9
111.08090	9.6
111.11705	15.0
113.00014	10.0
113.06032	16.0
119.08578	25.4
121.10148	25.4
123.08095	11.9
123.11723	31.1
125.06013	35.8
125.13286	8.8
127.03922	47.3
131.08575	10.0
133.10141	20.2
135.08058	8.4
135.11694	21.3
137.06004	36.8
137.09630	7.8
137.13258	10.8
139.03864	13.3
141.05484	13.8
143.08577	6.8
144.08989	3.6
145.10153	14.5
147.11703	15.5
149.09694	7.4
149.13257	13.5
151.07539	14.5
151.14845	11.9
153.05461	17.3
155.07082	5.1
157.04941	5.1
157.10057	10.4
159.11723	14.3
161.09616	11.7
161.13266	19.8
163.11200	11.9
163.14861	6.7
165.09171	11.2
165.12878	5.0
165.16393	4.2
169.02686	10.6
171.11772	5.3
173.09636	5.5
173.13272	7.4
175.11166	12.8
175.14868	7.0
177.09117	8.7
177.12733	6.9
177.16368	4.5
179.10710	11.1
185.13260	10.0
187.11255	5.4
187.14821	7.2
189.09174	6.9
189.12764	11.1
191.10675	17.4
191.17842	4.8
193.08627	9.5
193.12247	7.8
195.10100	8.0
201.16483	5.9
203.10701	8.0
203.14391	5.1
203.17920	4.1
205.12318	8.5
207.10086	4.8
209.11652	9.2
211.09723	8.3
213.16286	5.2
217.12256	5.0
217.15924	6.9
217.19472	4.8
221.11778	8.3
227.14207	5.3
231.13585	6.3
245.15501	6.5
249.14911	7.0
259.16876	5.2
261.18777	4.9
263.16464	9.5
287.20203	4.2
287.27554	5.8
291.19727	7.8
291.23206	4.2
305.21146	6.6
315.23465	6.2
326.64981	4.8
333.24286	8.3
347.25732	8.4
361.27454	5.2
371.33353	5.5
399.32584	13.6
417.33563	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	436.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71807	1.5
52.73725	1.4
55.01870	1.8
55.05500	2.6
67.05495	5.0
68.08016	1.5
69.03422	2.0
69.07078	3.9
70.06583	1.9
70.54235	2.7
70.54587	3.4
72.08169	2.3
75.26529	1.5
79.05496	3.7
81.03431	2.7
81.07050	5.4
83.44156	1.6
91.05493	3.4
92.64915	1.8
93.07006	3.4
95.08597	6.7
97.06534	3.3
105.07021	4.7
107.04961	100.0
107.08547	2.9
108.05327	2.2
109.10151	2.6
114.30057	1.6
117.07090	1.9
118.13359	1.8
119.08545	1.8
123.04433	21.1
131.04897	1.9
135.11624	1.8
137.05934	2.6
145.02815	2.0
177.05501	5.9
275.19733	1.9
418.33984	1.8
436.13586	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51469	3.4
51.91319	3.4
53.03941	4.1
56.52076	3.6
58.45014	3.7
60.28915	3.8
67.05491	6.6
69.03425	11.0
69.07069	5.5
70.06590	12.6
71.04976	5.1
71.20558	4.9
72.08152	7.9
73.02930	4.8
79.05492	16.0
81.03418	11.0
81.07057	14.0
84.08128	6.4
85.02898	29.3
86.06050	5.5
86.09721	9.5
87.00834	9.1
90.27731	4.2
91.05477	27.1
93.07046	72.7
95.08607	26.3
97.02893	16.9
99.04483	9.2
105.01872	19.3
105.07047	11.5
107.04974	13.2
107.08595	100.0
108.57877	3.5
109.02866	8.9
109.10145	4.3
124.81347	3.7
127.03909	24.4
135.11708	53.2
137.05988	4.8
145.04944	16.0
153.12737	7.1
177.12773	4.1
182.28992	3.7
198.11278	13.7
216.12372	29.3
216.14156	5.5
231.04910	6.6
263.58362	3.9
335.40103	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
56.21417	2.0
67.05500	3.2
69.03410	5.2
69.07053	5.2
70.06576	6.8
71.05010	10.9
71.48080	2.8
79.05492	5.4
81.07056	23.3
84.08127	2.4
85.02899	8.5
86.09721	3.4
87.00829	3.4
91.05458	4.0
93.07046	14.7
95.04930	2.4
95.08613	5.9
97.02909	3.5
105.01878	2.9
105.07021	3.7
107.04963	33.8
107.08585	9.0
108.05325	4.0
109.10165	4.8
119.08586	2.6
127.03946	4.5
135.11708	24.9
137.05905	2.4
140.07086	2.7
153.12753	100.0
156.08934	2.5
167.07071	6.0
181.04974	6.8
182.05351	7.7
233.08144	2.5
234.08406	7.7
256.09830	2.5
268.49094	2.3
274.10864	4.5
274.13986	2.9
286.84164	2.6
331.12839	25.8
418.15738	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	437.108
Annotation	Tricornoside E
Peak:m/z	Relative Intensity
50.44539	0.2
53.03936	0.3
55.01855	0.4
57.03409	0.5
60.23344	0.3
61.02916	0.6
67.65545	0.2
68.99783	1.7
69.03437	2.5
69.39328	2.1
70.06594	1.2
72.08147	0.4
73.02895	0.7
74.06045	0.3
78.86838	0.2
81.03392	0.9
83.04134	0.2
84.04475	0.4
84.08113	0.6
84.42439	0.2
85.02445	0.4
85.02908	4.8
86.09700	0.4
87.04445	0.4
91.03925	0.4
91.05517	0.3
97.02885	1.4
99.04414	0.3
103.05450	0.3
105.07022	0.7
107.04961	1.3
108.08109	0.5
109.02851	0.9
110.07137	0.3
115.05434	1.1
116.07076	0.4
117.06944	0.2
120.08115	2.3
124.07549	0.3
127.03873	1.0
131.04893	0.6
133.06512	0.4
136.07562	0.7
143.04935	0.3
145.04932	0.5
145.06467	0.4
147.04399	0.3
151.07529	1.2
152.07922	0.5
155.04955	0.3
157.06458	0.5
159.04376	0.3
161.05997	2.5
173.05939	0.7
177.05511	0.4
179.03354	0.4
184.05142	0.5
185.05981	0.5
187.03908	2.0
194.44963	0.3
201.05513	2.1
201.08636	0.2
205.04959	1.0
211.03937	1.1
213.05466	2.8
214.06227	0.5
219.06541	1.4
229.04962	1.2
229.08571	0.4
231.06572	0.3
233.04442	0.6
239.03372	0.8
247.06021	1.3
253.56758	0.3
255.02914	0.3
257.04459	13.2
258.05170	2.1
259.05936	0.9
271.06015	0.3
273.03989	2.0
275.05499	100.0
276.05957	1.5
299.05627	1.0
314.12552	0.2
317.06635	1.5
332.13379	0.4
341.06555	0.4
437.10800	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	437.1591
Annotation	Vittarin F
Peak:m/z	Relative Intensity
53.03934	1.7
55.01881	1.7
55.05510	0.9
69.03444	4.4
69.07057	2.2
69.17124	3.5
69.17538	5.7
70.06582	3.5
75.05612	1.1
76.47782	0.8
79.05484	3.0
81.03409	4.4
81.07046	2.1
83.79700	0.9
84.04491	2.5
84.08150	4.6
85.02883	1.6
85.06512	1.1
86.09712	15.6
91.05485	4.4
93.07030	2.4
94.04166	3.0
95.04951	2.0
95.06022	0.9
95.08594	2.6
97.02895	2.8
98.21538	2.0
99.04504	0.9
102.05537	1.7
103.05489	1.8
105.07049	1.3
105.13641	0.8
107.04948	5.7
107.08591	1.1
109.10117	1.3
111.04435	1.1
115.05426	1.5
119.04931	2.1
119.08585	1.2
120.08118	1.1
121.06492	1.3
122.03676	6.8
128.06273	1.4
129.06985	1.3
129.10255	3.2
131.04935	6.3
133.06551	1.3
135.11745	1.1
136.07578	3.3
137.05991	100.0
141.06958	2.1
143.11821	5.3
144.05759	1.3
145.06516	2.5
146.03651	1.0
147.04436	1.1
149.06000	1.3
151.03889	3.9
151.07515	5.2
153.06970	2.1
153.61180	0.9
155.04935	1.1
155.08572	1.6
157.06497	1.4
159.04407	2.0
161.05995	4.8
165.07051	4.3
167.05006	0.9
167.07059	1.2
168.05809	1.1
169.06479	3.3
175.07567	3.8
179.07120	1.2
179.08539	1.3
181.06473	3.0
182.07246	1.6
183.08101	2.7
187.07507	2.1
193.06516	1.3
194.07231	1.8
195.07979	1.8
196.05307	1.1
197.05977	3.1
197.09651	1.5
198.06778	2.5
199.07529	2.1
201.09071	2.2
205.06474	1.5
207.08009	1.4
209.05971	1.8
210.06786	1.7
211.07542	3.8
213.09003	1.0
214.06284	2.0
215.07082	2.1
215.14078	1.0
219.07977	1.4
221.05975	2.3
222.06734	2.0
223.07530	3.5
225.09152	1.9
227.06897	1.2
228.07722	1.1
229.08463	5.4
231.08063	1.4
233.05978	2.4
234.06769	1.6
235.07570	2.4
237.05571	1.2
237.09138	2.1
239.07014	3.7
241.08354	1.6
243.08104	1.1
244.08856	1.1
246.06735	1.4
248.08289	1.3
250.06207	1.4
250.09984	1.0
251.06961	2.2
253.08336	5.5
255.08121	1.5
256.07181	1.9
257.05511	0.7
257.07953	16.6
257.18744	1.1
261.09195	1.6
265.08560	5.6
269.09552	3.8
271.06940	1.0
271.09677	19.4
272.08365	1.6
273.09045	1.0
275.20108	1.5
277.08563	3.2
278.09161	1.0
281.09549	3.1
283.09741	5.3
284.08209	1.8
285.08942	2.2
286.09848	2.4
289.08609	4.1
295.09830	1.4
297.09149	4.3
298.09698	2.1
299.10431	1.5
300.07718	1.6
301.08237	2.2
302.09195	1.4
307.09949	1.3
308.10706	1.7
309.08966	1.6
313.11719	1.2
314.09265	2.1
315.10110	4.4
316.10883	2.1
317.08163	1.5
317.11719	1.4
321.11154	3.5
325.08575	1.5
326.09433	2.7
327.10123	2.7
329.11844	4.4
331.09659	1.6
331.13361	1.2
333.11264	1.9
337.08948	1.2
341.11826	2.1
342.08875	1.7
343.09610	1.6
344.10532	2.1
345.11145	2.4
347.12753	4.7
355.09784	1.4
357.11298	4.6
358.12222	2.2
359.12787	2.5
369.11057	4.7
370.11884	1.6
373.10620	1.6
375.12213	2.5
377.13803	2.2
386.11700	1.4
387.12286	6.2
388.12906	3.3
389.13931	7.7
390.14282	1.0
391.15369	1.9
401.13721	5.3
407.14926	16.2
419.14944	22.0
437.16043	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	437.1597
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
57.07075	20.0
60.77858	1.6
64.26364	1.6
69.03421	6.5
70.21383	5.2
70.21747	2.2
71.04988	1.7
81.03458	3.2
81.07056	1.8
85.02905	7.7
85.06551	53.7
86.09702	7.8
91.05473	3.9
91.26454	1.7
94.04170	4.5
97.02915	4.5
99.04427	2.2
103.05460	2.3
106.97168	1.7
107.04952	5.4
109.06495	2.4
119.04824	1.7
120.08123	3.5
122.03635	9.0
127.03933	2.3
131.04924	8.4
133.06537	3.1
136.07536	1.7
137.05986	100.0
141.06964	2.6
145.04982	2.0
145.06593	2.2
145.08603	50.8
151.03891	4.1
152.97141	1.6
153.07011	2.8
155.08575	2.3
159.04388	2.2
161.06010	4.5
165.07063	3.1
169.06494	3.7
175.07494	3.1
179.08434	3.0
181.06511	4.4
183.04131	1.7
187.07533	2.8
191.09161	6.5
196.05212	2.0
197.05980	2.9
197.09668	2.1
199.07535	2.4
205.06438	2.0
209.05925	3.0
210.06795	3.5
211.07506	5.2
213.09114	2.7
218.07248	2.0
221.05977	2.4
223.07736	2.2
225.09158	3.1
227.06856	2.7
229.08598	3.8
234.06836	2.9
236.08238	1.9
237.09149	2.4
238.06313	1.8
239.07019	4.8
241.10420	2.1
244.67345	1.8
246.06723	2.2
247.57219	1.8
249.08966	2.9
251.06918	2.5
253.08635	7.5
257.07864	13.2
257.14157	2.0
261.09344	1.7
265.08597	4.6
268.08630	2.2
269.09735	2.8
271.09683	18.9
272.08160	2.2
277.08563	3.8
283.09579	5.7
286.09787	2.1
287.10657	2.3
289.08606	4.5
291.10184	2.1
295.09726	3.4
297.09146	4.9
298.09930	3.0
299.10538	2.3
300.07880	3.1
306.09100	2.0
308.10416	2.9
315.10184	3.6
321.11218	2.5
327.10086	3.3
329.11816	3.1
331.09766	2.4
341.11905	3.6
342.08890	2.2
344.10172	3.2
345.11307	2.2
347.12820	5.2
354.75555	1.9
355.09589	3.2
357.11145	3.7
359.12845	2.4
367.07690	1.8
369.11346	3.5
375.12152	3.1
387.12207	7.4
388.13333	1.8
389.13696	7.6
401.13672	5.6
407.14963	14.2
419.14828	20.0
422.06577	2.1
437.08804	5.2
437.15952	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	437.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01874	1.6
59.69376	0.4
63.08016	0.4
67.05492	0.8
69.03417	0.6
69.07093	0.4
69.87153	1.8
70.06592	0.6
71.04985	0.8
77.03946	0.7
79.05503	2.1
81.03410	0.9
81.07068	0.8
82.06582	0.4
84.08132	0.7
85.02892	1.1
85.06535	0.4
86.09718	0.7
87.00771	0.4
93.07035	0.6
94.06568	0.9
95.04961	2.1
95.08589	1.9
97.02903	0.5
98.21473	0.4
105.07021	0.4
106.06542	1.0
107.04958	83.7
108.04478	2.2
108.05225	0.9
110.06059	0.5
117.34354	0.4
120.08119	0.9
120.87110	0.3
122.06032	1.2
124.07588	0.4
127.03945	0.5
134.06017	1.0
135.11678	0.6
136.03938	0.9
136.07578	0.6
137.13194	0.5
148.03909	0.4
148.07610	0.8
150.05475	0.4
152.07082	0.9
153.12758	1.5
154.13081	1.6
155.14355	1.0
160.07672	0.5
161.07086	1.1
161.08386	0.6
162.05533	4.6
163.06288	0.6
164.07059	1.1
168.06577	0.9
170.08250	0.8
170.09641	0.6
173.10725	0.7
176.07019	1.0
184.07552	0.6
186.07849	0.9
187.08722	2.0
187.12334	0.9
189.06606	4.9
194.08113	0.6
198.09108	0.6
199.08710	0.6
200.09329	0.7
200.10907	0.5
201.10254	3.9
203.08195	2.4
211.08635	0.7
211.12245	0.6
212.07072	0.4
212.10777	0.6
213.10262	1.0
214.07301	1.1
215.08177	7.3
215.11708	2.5
225.10228	0.8
226.08687	0.6
226.10869	0.5
227.08188	0.8
229.06171	0.5
229.09764	7.6
229.13351	1.6
231.11290	0.9
239.08189	0.9
239.11795	1.7
240.10123	0.7
241.09680	1.0
242.10434	0.4
243.07640	1.2
243.11301	4.1
247.14400	0.5
253.09735	0.9
255.11343	0.5
257.09213	6.3
257.12823	4.6
259.10803	0.9
267.11285	2.6
269.09210	0.5
271.10739	4.6
275.13971	2.6
285.12338	8.7
295.10794	2.6
303.13452	2.8
313.08374	0.8
313.11844	13.1
318.89395	0.4
331.12881	100.0
332.13333	1.8
437.17041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2666
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
53.54315	4.3
55.05513	36.0
55.77069	4.1
57.03440	5.8
57.07061	19.3
67.05505	44.9
69.07079	63.9
70.67632	4.6
70.67981	12.2
71.05009	5.4
71.08646	8.7
73.59826	3.9
79.05506	29.0
81.07063	77.2
83.08630	29.6
83.19643	3.8
85.06533	6.4
85.10155	4.6
89.06020	10.9
91.05444	21.2
92.28571	4.0
93.07052	49.0
95.08611	100.0
97.06558	9.4
97.10179	15.9
98.98470	77.0
99.04517	4.8
105.07049	33.4
105.07655	6.3
107.08610	54.6
109.06506	9.2
109.10172	39.3
111.08092	7.6
111.11753	5.2
115.12852	4.3
117.07013	10.9
119.08594	39.1
121.10165	47.9
123.11716	17.1
125.09660	5.7
131.08565	16.9
133.08595	8.7
133.10097	21.9
135.11710	27.4
139.11127	4.8
143.08549	12.5
145.10149	21.5
147.11688	25.6
149.09613	7.2
149.13252	23.2
155.01070	18.5
157.10097	12.8
159.11694	19.3
161.13229	19.8
163.14836	18.0
171.11700	10.8
173.02068	5.2
173.13284	15.2
175.14786	13.4
177.16481	7.7
183.11835	6.4
185.13223	8.1
187.14822	12.2
189.16389	14.8
191.17972	22.0
197.13368	4.8
201.16333	10.2
203.17891	7.1
209.53343	3.9
211.14848	7.8
213.16344	7.0
215.17990	8.2
217.19620	6.7
229.19557	8.2
243.21133	7.2
247.24283	6.6
257.18805	4.2
265.25262	13.1
295.24231	5.7
339.25507	6.2
339.29074	72.7
345.10022	4.3
419.36832	9.6
437.29889	8.4
437.37665	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05516	11.7
57.07067	5.4
67.05510	31.4
67.23077	1.9
69.07066	18.2
69.90141	3.1
69.90529	5.9
76.08367	1.8
79.05494	15.9
81.07065	50.6
83.08607	8.4
85.06532	2.0
89.06065	3.8
91.05478	13.0
93.07049	35.5
95.08617	100.0
97.10180	5.0
99.18604	2.1
103.29252	2.4
105.07041	26.5
107.08609	45.2
109.06517	2.2
109.10168	59.2
111.08038	3.8
111.11742	2.7
117.07001	2.5
119.08588	31.1
121.10158	51.5
121.11050	2.9
122.79922	1.7
123.08068	2.4
123.11716	30.0
125.09641	2.5
129.06963	3.4
131.07736	1.8
131.08553	11.1
133.10136	20.2
135.11720	23.6
137.09634	3.0
137.13242	9.2
138.27983	2.1
143.08553	3.2
145.10143	12.2
147.11731	16.1
149.13223	11.7
149.32535	1.9
152.27927	1.8
154.69035	2.1
156.09297	2.3
159.11693	17.9
161.13309	16.8
163.14819	10.8
171.11665	3.1
173.13290	11.7
175.14818	8.9
177.16431	4.6
187.14835	8.5
189.16397	15.1
191.17969	63.0
199.14793	1.8
201.16408	8.4
203.17999	14.2
205.19649	2.1
213.16447	2.1
215.17992	6.7
217.19542	8.4
219.21188	2.7
227.17886	2.5
229.19472	6.0
233.18942	3.0
245.19055	4.5
247.20653	2.8
257.22635	4.6
297.25732	2.2
419.36447	2.8
437.37775	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63198	2.3
57.66695	2.0
66.48369	2.1
69.03427	4.3
70.06586	7.6
71.21990	4.1
79.20405	2.1
81.03410	2.7
84.08146	2.7
85.02940	5.4
86.09702	10.8
88.15384	2.3
91.48387	2.0
95.08625	2.6
97.02927	2.2
98.32726	2.0
107.04960	11.5
109.02898	2.8
111.93887	2.1
124.04978	2.4
133.98503	2.3
181.06503	17.7
201.12361	2.5
209.05981	44.5
212.08057	2.3
226.06294	11.5
241.08589	100.0
282.21060	2.6
287.10245	5.5
332.13272	3.3
360.71823	2.3
375.96313	2.5
403.13858	12.1
440.94296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95037	1.1
65.58496	1.1
66.47818	1.1
69.03436	2.2
70.06598	3.4
75.46323	1.0
85.06540	1.5
86.09704	1.5
90.35665	1.1
92.50282	1.0
94.85860	1.0
96.08142	3.2
97.06536	1.2
105.04464	1.3
107.04964	66.5
110.06060	16.7
124.07592	17.3
137.27977	1.0
139.11194	7.3
152.07068	8.3
170.08138	100.0
181.12218	1.7
213.07523	1.2
215.13994	1.1
241.14342	2.7
276.12338	21.4
330.79828	1.2
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
53.03943	2.2
65.98791	0.5
67.05499	1.1
69.03428	1.7
70.02900	2.3
70.03235	0.6
70.06596	0.7
75.49287	0.6
77.63690	0.6
79.05493	2.3
85.02902	2.6
95.04919	1.1
97.02935	0.9
99.04435	0.6
105.04495	0.8
106.06548	2.5
107.04956	100.0
108.05279	1.8
108.08116	60.2
116.98553	0.7
120.08087	1.4
123.06816	2.0
124.07593	8.5
127.03887	0.9
134.06012	6.3
136.07570	10.1
152.07065	41.6
154.08650	1.3
170.08116	4.9
204.59225	0.6
281.56488	0.7
314.12341	21.8
315.12659	0.6
332.13391	83.8
333.13666	2.4
339.37283	0.5
438.17606	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	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.1
55.01866	3.6
55.05506	4.6
57.03437	1.7
57.07059	2.8
59.04986	3.6
61.02917	1.4
67.05503	2.1
68.99798	1.2
69.03433	9.2
69.07056	3.2
70.06577	2.2
71.04978	3.3
71.48266	1.2
73.02911	2.4
73.06539	1.9
74.34947	0.8
77.10648	0.7
78.40540	0.7
79.05482	3.1
81.03417	6.7
81.07054	14.2
82.06607	0.7
83.08614	3.5
85.02442	1.6
85.02909	19.9
85.06536	3.9
86.09692	1.3
87.00836	9.3
93.07043	0.9
95.04924	1.3
95.08612	16.3
97.02898	8.7
97.10167	7.5
99.04430	2.1
105.01863	7.2
107.04961	63.6
107.08572	1.2
108.04586	1.3
108.05286	24.2
109.02877	7.5
109.04847	1.0
109.10157	1.5
111.11710	1.3
122.05943	0.9
127.03936	11.0
134.05948	1.1
136.03966	1.0
137.13260	40.8
145.04939	2.4
151.37985	0.8
155.14314	100.0
156.14641	1.1
159.02864	2.4
162.05479	2.9
164.06955	1.0
173.15375	22.1
187.08704	1.4
189.06593	2.0
190.06862	2.3
201.10088	1.9
202.10550	2.3
212.10713	1.0
215.08156	2.6
215.11786	2.0
216.08557	3.9
216.12163	2.4
229.09714	3.9
230.10027	4.7
230.13756	1.4
231.04951	2.4
240.12216	1.2
241.10081	0.9
243.11322	1.7
244.11649	2.8
257.09180	3.3
257.12909	1.3
258.09424	2.4
258.13235	3.1
267.11285	0.9
268.11688	2.0
271.10767	2.9
272.11053	2.4
274.00696	0.8
275.13791	1.2
285.12256	1.6
286.12753	6.5
295.10806	1.0
296.11124	1.3
304.13574	1.6
313.11792	3.9
314.12177	8.1
331.12894	27.2
332.13211	68.4
333.13394	1.1
395.16791	1.0
422.77808	0.9
438.17059	1.7
439.15613	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	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48473	1.8
55.05498	5.3
57.07075	73.2
67.05502	5.2
69.07056	9.6
69.82182	9.2
71.08630	60.8
73.06529	2.4
74.13332	1.8
76.48248	1.8
79.05499	2.3
81.07059	5.3
83.08620	6.1
85.10181	37.9
87.04473	2.1
89.06026	100.0
93.07033	2.2
95.08598	4.1
97.10149	4.2
99.11736	5.2
99.59502	1.8
104.83141	1.8
105.07054	3.4
107.07098	2.3
107.08601	4.6
109.10148	3.7
113.13287	4.6
119.08567	2.6
121.10151	3.6
123.08057	2.1
127.14844	5.0
133.08601	67.3
136.94537	2.1
149.09485	2.0
151.09666	6.7
166.21945	1.8
177.11217	11.2
187.14799	2.6
195.12335	3.3
214.63875	1.7
227.23630	2.4
239.14880	49.6
250.84444	1.7
271.26358	2.3
303.59238	1.9
303.72714	1.8
315.28958	2.1
320.44266	1.9
377.32605	2.2
399.24878	2.1
421.35248	30.6
438.38306	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00404	1.7
53.03931	6.5
55.01862	4.6
55.05511	8.1
57.03441	3.7
57.07087	9.1
65.03942	2.5
65.13134	1.9
67.05504	6.3
68.99788	3.2
69.01074	1.9
69.03429	17.8
69.07075	14.1
69.64825	2.5
69.65234	8.9
70.06587	8.5
71.04975	2.6
72.08168	1.9
73.02929	2.3
79.05479	6.9
81.03418	16.9
81.07065	20.9
83.04980	9.5
83.08623	3.2
84.08120	2.5
85.02920	14.0
85.06536	6.1
85.17346	2.1
86.09717	6.2
87.00835	6.8
91.05476	9.0
93.07047	9.4
95.04963	3.7
95.08601	14.0
97.02909	13.7
97.06519	6.3
97.10221	3.0
99.04459	4.4
99.08099	12.9
100.84811	1.7
105.01869	2.7
105.07030	14.6
107.04949	7.7
107.08596	19.0
109.02853	17.8
109.06532	6.6
109.10158	8.8
111.04444	4.0
111.65113	2.1
117.07005	2.6
119.08581	25.2
120.08083	4.0
121.02815	2.4
121.06509	12.8
121.10145	24.6
123.08105	5.1
123.11683	2.2
124.74858	1.8
127.03940	14.9
129.01859	2.1
129.06958	2.3
129.10220	3.7
131.08559	12.0
133.10123	17.5
135.08046	15.7
135.11725	8.7
137.06000	3.1
137.09566	10.5
137.13249	6.2
143.08597	3.7
145.05009	3.4
145.10132	6.8
147.11659	13.2
149.09612	7.9
149.13310	12.0
151.11107	3.8
153.12726	2.3
155.14310	7.7
157.10107	2.9
158.10896	5.6
159.11688	3.3
161.09592	2.1
161.13300	4.2
163.14789	9.3
171.11649	3.2
173.13263	24.8
173.15369	4.7
175.14830	17.5
187.11176	2.1
189.12854	5.5
191.14317	100.0
191.16109	5.8
201.12512	2.1
203.14302	3.4
209.15350	3.0
213.03938	2.6
215.14397	2.0
231.04964	2.3
245.15387	2.5
255.11230	2.3
275.16559	2.9
299.16537	4.9
403.17245	2.7
421.18604	2.9
439.19556	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.8
55.01875	2.9
55.05507	5.2
56.17756	2.2
65.22588	2.1
67.05502	5.6
69.03422	11.5
69.07061	8.5
69.39835	3.3
69.40259	12.9
70.06597	3.4
71.04985	3.2
72.91994	2.0
76.72501	2.1
79.05493	7.5
81.03404	5.2
81.07065	12.5
83.04988	4.5
85.02920	8.3
86.09730	3.2
87.00825	4.3
91.05480	9.8
93.07025	5.2
95.04951	4.7
95.08610	4.9
97.02879	2.8
98.20807	4.6
100.51257	2.0
101.69402	2.4
105.01896	4.3
105.07027	11.7
107.04930	13.9
107.08600	17.8
109.02906	4.6
109.06591	2.5
109.10161	8.6
111.11713	3.4
115.05450	3.5
117.07015	4.2
119.08571	5.0
121.02898	2.9
121.06495	2.7
121.10143	14.7
122.07301	7.7
123.08073	2.5
127.03937	7.9
129.06996	3.5
131.08551	3.7
133.10136	100.0
135.08078	7.4
135.11745	2.5
137.02356	3.8
137.05971	2.6
137.09627	59.1
137.13251	3.8
137.31212	2.7
138.13617	4.1
143.08626	2.8
145.10126	4.1
147.08032	2.4
147.11723	4.1
149.09645	7.5
149.13261	7.5
151.03979	2.2
155.14319	3.5
156.14687	2.3
158.10948	3.7
159.11653	3.0
161.05933	2.4
165.01883	2.7
173.13290	7.2
173.15445	2.2
191.14316	41.8
203.05237	3.0
259.13290	3.2
261.18262	3.0
277.14505	3.3
314.04269	6.1
315.04996	15.8
329.06561	17.6
439.10303	25.4
439.18332	6.8
439.22983	16.2
440.10266	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	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.9
55.05503	26.0
57.07084	55.9
67.05514	8.0
69.03419	16.7
69.07066	20.4
70.06588	32.1
71.04980	7.1
71.48539	8.4
72.08136	7.3
74.58937	5.2
75.75191	5.0
79.05490	9.5
81.03419	17.3
81.07055	93.0
83.04996	8.9
83.08630	6.5
84.08150	11.0
85.02913	28.8
85.06101	7.2
85.06542	41.0
86.09701	22.7
87.00816	7.3
91.05491	8.2
95.08606	44.8
97.02906	16.8
97.10149	10.2
99.08099	100.0
101.56609	6.0
105.07037	6.6
107.04956	25.0
107.08543	6.6
109.02870	13.9
109.06564	6.1
109.10159	9.5
110.07106	11.0
111.04437	8.3
111.11766	7.0
112.02294	5.6
119.08614	11.4
121.10159	8.6
123.08089	7.8
124.07611	6.3
127.03938	17.9
129.10210	7.6
131.08524	10.2
133.10138	7.3
135.08066	8.7
137.02313	5.5
137.09636	6.0
137.13269	41.5
139.57950	6.1
147.11658	8.7
149.13295	8.4
153.12888	6.1
155.10722	6.2
155.14322	77.4
156.10965	7.7
173.11713	6.5
173.13153	12.8
173.15347	41.6
174.12137	10.7
177.47519	5.5
189.12840	5.5
191.14346	34.7
191.16437	58.3
203.07108	11.8
245.08073	9.5
277.10922	8.8
439.19974	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	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.9
55.05503	26.0
57.07084	55.9
67.05514	8.0
69.03419	16.7
69.07066	20.4
70.06588	32.1
71.04980	7.1
71.48539	8.4
72.08136	7.3
74.58937	5.2
75.75191	5.0
79.05490	9.5
81.03419	17.3
81.07055	93.0
83.04996	8.9
83.08630	6.5
84.08150	11.0
85.02913	28.8
85.06101	7.2
85.06542	41.0
86.09701	22.7
87.00816	7.3
91.05491	8.2
95.08606	44.8
97.02906	16.8
97.10149	10.2
99.08099	100.0
101.56609	6.0
105.07037	6.6
107.04956	25.0
107.08543	6.6
109.02870	13.9
109.06564	6.1
109.10159	9.5
110.07106	11.0
111.04437	8.3
111.11766	7.0
112.02294	5.6
119.08614	11.4
121.10159	8.6
123.08089	7.8
124.07611	6.3
127.03938	17.9
129.10210	7.6
131.08524	10.2
133.10138	7.3
135.08066	8.7
137.02313	5.5
137.09636	6.0
137.13269	41.5
139.57950	6.1
147.11658	8.7
149.13295	8.4
153.12888	6.1
155.10722	6.2
155.14322	77.4
156.10965	7.7
173.11713	6.5
173.13153	12.8
173.15347	41.6
174.12137	10.7
177.47519	5.5
189.12840	5.5
191.14346	34.7
191.16437	58.3
203.07108	11.8
245.08073	9.5
277.10922	8.8
439.19974	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	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93319	7.6
55.01860	17.6
55.05508	45.2
57.03444	11.1
61.02939	15.5
65.03917	8.1
67.05510	70.4
69.03420	38.6
69.07072	45.3
71.04988	14.5
79.05506	77.7
81.03422	46.5
81.07065	100.0
83.04967	13.4
83.08621	21.4
85.02922	56.3
85.06543	10.5
86.40726	8.5
91.05476	71.2
93.07037	93.2
95.04945	15.5
95.08602	66.5
97.02887	34.1
97.06550	19.8
98.20818	21.8
99.04497	13.0
103.05480	11.3
105.07034	69.1
107.04953	30.2
107.08618	64.9
109.02911	13.7
109.06510	17.4
109.10173	42.3
117.07027	27.9
119.08578	69.8
121.06511	9.2
121.10140	54.6
123.04412	17.2
123.08099	14.5
123.11697	10.0
127.03922	15.7
129.06992	20.7
131.08571	47.1
133.06494	13.7
133.10135	50.2
135.11697	51.1
142.07849	11.0
143.08563	25.4
145.10139	29.2
147.04359	10.5
147.08089	8.4
147.11693	35.6
149.02383	49.3
149.09605	13.1
149.13278	21.5
150.02678	29.6
155.08574	9.8
157.10126	22.6
159.11708	34.6
161.13249	17.7
163.14789	10.2
167.08595	11.3
171.08011	10.5
171.11705	23.4
173.13205	23.1
193.04991	67.6
194.05318	53.9
197.13318	11.2
219.10065	17.5
259.20615	21.2
259.35052	8.2
263.51047	10.3
275.20139	17.6
277.21652	55.0
289.21619	28.4
301.21573	15.3
319.58490	8.6
365.14154	13.4
367.22629	20.3
385.23718	13.3
403.24930	20.5
421.25818	34.3
439.15305	21.0
439.28543	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30115	1.7
53.03934	2.0
55.05516	13.1
57.07064	6.8
65.71569	1.7
67.05502	23.1
69.07063	19.5
71.08635	2.2
71.49268	2.3
79.05494	11.2
81.06599	2.5
81.07054	44.8
83.08605	12.7
89.06008	4.9
91.05460	7.9
93.07040	23.7
95.08607	100.0
96.08925	1.9
97.10155	8.0
99.08109	2.1
105.07040	15.5
106.59167	1.7
107.08585	35.5
108.02251	1.9
109.10157	43.8
111.08103	2.2
111.11687	3.7
117.06989	2.3
119.08586	21.1
121.09334	3.3
121.10144	43.2
121.28531	1.9
123.11700	28.0
125.09606	2.5
131.08510	3.5
133.08612	3.3
133.10152	14.5
135.11688	21.1
137.13255	11.3
139.11179	3.1
145.10078	5.9
147.11700	14.2
149.13249	13.9
151.14812	2.7
157.10097	2.0
159.11665	8.3
161.13235	11.9
163.14796	6.1
173.13263	5.6
175.14775	8.0
177.16370	6.6
187.14844	2.5
189.16360	10.9
191.17941	41.5
201.16399	5.1
203.17938	12.1
205.19453	3.7
215.17914	2.4
217.19498	9.4
229.19536	3.0
231.21043	5.3
235.20673	2.9
239.14609	2.6
240.15207	2.4
240.79144	2.0
243.21042	4.3
249.22087	3.7
299.27423	2.3
344.04391	1.9
421.38095	3.3
439.39441	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.05517	12.8
57.07075	12.8
59.04984	2.9
65.03962	2.6
67.05508	24.0
69.07074	24.2
69.15177	2.7
69.15568	17.8
71.08601	2.5
79.05492	15.6
81.07063	45.8
83.08645	9.7
88.86636	2.1
89.06039	5.8
91.05478	13.4
93.07055	40.3
95.08614	100.0
96.08988	1.9
97.10163	8.2
98.85635	1.7
105.07040	26.2
107.08602	63.0
109.10169	54.8
109.10927	2.0
111.08072	3.0
111.11665	2.2
113.09644	43.9
117.07011	2.3
119.08592	33.0
121.09335	3.7
121.10154	49.8
123.07977	2.6
123.11710	29.4
126.61120	1.8
131.08565	6.1
133.10136	25.7
135.11703	37.0
137.13228	10.3
141.12750	22.0
145.10129	7.7
147.11700	25.8
149.13264	31.6
159.11705	7.1
161.13271	23.2
163.14850	27.8
169.85623	2.1
170.10989	2.0
171.11674	2.3
173.13252	4.7
174.38512	2.0
175.14803	9.7
177.16331	4.8
187.14870	4.1
189.16373	11.9
191.17972	91.6
201.16405	3.1
203.17955	19.7
205.19591	9.4
215.17946	2.5
217.19562	25.3
229.19568	2.6
231.21107	5.4
235.20583	7.5
239.14952	3.1
245.22791	2.3
247.20567	7.9
249.22188	4.9
255.21277	2.5
257.22717	4.4
286.15744	2.0
299.27438	2.1
348.09308	1.9
439.39536	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	439.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89893	2.7
55.05515	25.3
57.07076	17.4
65.03946	4.1
67.05506	28.3
69.07076	42.7
71.08619	8.3
71.40820	4.3
74.55224	2.4
79.05499	17.1
81.07062	65.6
83.08625	31.8
85.10176	3.0
89.06032	9.3
89.25359	2.2
91.05479	16.8
93.07056	43.8
95.08614	99.7
97.10178	13.3
105.07044	36.3
107.08611	56.2
109.06521	2.7
109.10168	77.6
111.08063	5.9
111.11769	5.3
117.07034	4.4
119.08591	50.4
121.10155	57.4
123.11718	39.8
125.13244	2.9
128.08276	2.2
129.07030	3.8
131.08589	11.7
133.08617	4.2
133.10144	37.9
135.11699	35.9
137.13240	14.1
143.08554	5.2
145.10141	17.1
147.11691	36.2
149.13274	30.4
151.14839	2.5
157.10146	6.0
159.11682	19.9
161.13275	42.3
163.14806	21.2
168.18027	2.4
171.11728	6.4
173.13307	16.5
175.14841	35.7
177.16408	12.5
185.13303	5.5
187.14815	15.5
189.16399	17.8
191.17999	35.9
199.14832	3.0
201.16388	7.1
203.17906	18.3
205.19392	2.4
207.17503	4.4
213.16551	3.8
215.17961	7.9
217.19559	35.5
219.21146	8.6
221.19098	3.2
225.16418	3.2
227.17969	6.9
229.19547	8.3
231.21114	25.1
235.29750	2.6
239.14809	4.1
240.15178	4.7
241.19522	6.4
243.21092	4.5
245.19113	4.4
245.22748	4.8
247.20607	5.9
255.20966	2.6
257.22629	3.7
259.20724	2.7
259.24210	3.2
267.21075	2.8
281.22977	3.0
285.22540	2.5
285.25922	5.8
288.55304	2.4
297.25751	5.6
313.25266	4.0
313.28818	2.9
315.27002	5.1
337.28854	2.8
351.30688	5.6
369.30856	2.6
383.32858	2.9
403.40216	2.9
421.38394	28.8
439.39444	100.0
440.39774	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	440.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60454	0.5
56.05014	0.6
58.99844	0.4
60.08170	10.9
61.41202	0.5
68.05020	2.1
69.05797	1.8
70.06574	1.5
70.73608	1.2
78.04704	0.7
79.05491	1.3
83.06100	1.5
84.04520	1.1
84.08125	1.6
88.61829	0.4
91.05510	0.8
93.07050	0.7
95.04950	0.6
95.06104	0.5
100.02197	1.9
103.05521	0.5
105.07027	3.0
106.04171	0.9
107.04958	2.5
111.05540	1.9
115.05428	0.7
116.07018	0.5
120.08130	0.6
121.06487	1.1
121.08481	1.0
123.04435	2.7
124.05247	1.0
126.02512	1.0
127.03265	25.6
129.10269	0.8
130.88974	0.5
132.11023	0.5
133.06505	2.7
136.07594	0.7
138.05524	2.2
149.05998	0.7
152.04666	1.0
161.05940	3.5
167.07040	100.0
168.07387	1.0
172.39606	0.4
181.08554	1.4
185.09776	1.1
186.10606	2.8
189.09099	1.1
193.08624	6.3
211.09639	1.8
213.12381	0.6
219.55719	0.5
264.28769	0.6
290.32071	0.6
337.12149	9.0
396.19522	60.4
397.19934	1.9
418.48575	0.5
440.18237	1.4
461.88916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77102	1.1
57.03446	1.1
67.05482	1.1
69.41290	3.5
69.41711	4.2
70.06573	4.3
78.04682	2.3
79.05476	4.5
85.02901	2.5
85.06548	1.3
86.09709	2.7
91.05464	3.0
95.04996	1.3
95.66431	1.1
98.20810	2.6
98.22831	1.1
103.05467	3.5
105.07020	5.4
106.04131	2.0
107.04966	11.5
109.06425	1.4
115.05457	1.9
121.06504	2.1
123.04426	6.4
124.05199	2.4
131.04959	6.3
131.08565	1.0
133.06467	4.6
135.08075	1.5
137.05972	2.7
137.09575	1.1
138.65941	1.3
143.04851	1.2
144.05562	1.2
145.06462	3.2
147.02477	1.2
147.04436	1.9
151.07535	5.4
152.04700	2.1
158.07205	1.2
159.08119	1.4
160.25957	1.3
161.05975	6.2
161.89870	1.0
163.07549	13.6
164.10674	1.0
167.07048	100.0
168.07361	2.2
173.05928	2.0
175.07510	1.4
177.08989	2.6
179.06989	2.6
181.08623	4.1
183.08031	2.1
187.07574	3.1
193.08629	16.9
195.07996	1.6
201.09116	1.7
219.10307	1.3
229.08716	1.2
233.11707	1.9
237.11095	2.3
242.45598	0.9
279.89349	1.2
321.17822	1.1
323.12900	2.5
355.15424	9.5
368.34036	1.1
387.18112	6.4
393.34323	1.2
405.19092	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	440.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.1
57.07081	28.0
67.05520	2.7
69.07072	3.9
71.08636	24.5
71.23013	1.7
73.06558	3.6
79.05475	2.1
81.07037	2.4
83.08617	3.2
84.54742	1.5
85.10190	27.1
89.06040	100.0
91.05448	1.5
93.07033	3.5
95.08595	4.9
105.07040	2.2
107.07056	2.7
107.08611	2.2
109.10174	1.7
117.09140	2.5
119.08569	2.3
125.91519	1.6
130.08641	2.2
131.08652	1.7
133.08614	47.1
139.87772	1.5
141.16371	4.2
151.09654	1.8
177.11241	15.4
185.18991	4.3
189.62741	1.4
195.12257	2.2
229.21562	8.1
239.14905	2.1
273.24249	1.9
283.17584	14.0
284.17569	1.8
357.65775	1.6
379.30621	1.9
423.33160	14.3
440.35641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0793
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.46638	5.1
56.96567	11.9
67.71463	5.7
70.06586	6.2
71.44343	4.7
71.47552	7.1
72.38435	4.6
74.52914	5.4
74.93080	4.5
81.72068	5.8
85.02921	8.1
97.02851	6.6
98.97580	39.9
101.00871	7.3
107.04939	17.6
110.14282	6.9
110.97556	11.9
116.98599	13.4
128.84740	6.5
128.98587	7.0
143.01912	5.7
146.99657	5.1
158.99643	17.7
172.98463	10.7
189.00655	9.2
201.00679	9.9
217.05650	8.0
217.15347	5.7
219.01759	17.5
237.02795	12.3
245.05034	5.2
261.02863	23.0
279.03909	11.1
307.08548	9.0
321.04773	6.3
363.02228	5.2
427.12750	7.3
441.07715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	15.6
69.03416	1.3
70.13777	2.8
70.14182	2.0
71.95259	1.5
84.08109	1.3
84.96046	7.5
85.02900	2.4
86.09698	1.8
97.02885	1.4
98.97584	100.0
101.81642	1.1
107.04925	4.0
110.07178	1.9
110.97572	43.8
112.99132	2.0
116.07041	1.3
116.98611	16.9
124.99113	3.2
127.00680	1.9
128.98601	16.1
131.00229	1.4
134.99686	1.1
136.06198	2.1
136.07591	1.6
140.98608	10.3
143.00191	14.3
144.98091	2.0
146.99612	3.2
152.05656	3.6
152.98592	5.9
155.00139	1.9
155.01955	1.5
158.99657	37.0
161.01183	5.5
170.99669	28.7
173.01202	1.7
177.00737	17.8
178.01184	1.2
182.99660	24.3
185.01196	1.5
189.00713	17.0
201.00711	48.5
207.01794	2.8
213.00697	4.6
219.01767	38.2
224.02237	1.6
231.01709	4.4
237.02834	15.3
243.01755	20.8
261.02838	80.9
273.02798	7.4
279.03885	44.3
287.23346	1.3
291.03876	12.2
302.11343	1.6
309.04950	1.4
321.01126	1.7
321.04935	30.4
333.04938	4.7
351.06128	4.4
381.06805	3.6
392.04288	1.2
399.08139	2.2
403.82138	1.2
423.06155	1.3
441.09061	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	441.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89844	0.9
53.03943	4.1
55.01872	2.2
55.05510	3.9
57.03442	2.0
57.07080	1.4
62.11948	0.9
67.05511	4.4
69.03429	11.7
69.07076	5.1
70.77726	2.0
71.01333	1.3
71.05007	1.2
72.66169	0.9
79.05497	4.1
81.03431	9.7
81.07059	10.0
83.08593	2.1
85.02908	6.9
85.06570	1.3
91.05483	13.9
93.07046	4.7
95.04972	3.1
95.08603	7.5
97.02894	7.7
97.06496	1.0
97.10184	2.1
99.00813	2.4
99.04456	2.5
103.05475	21.5
105.03418	8.2
105.04481	1.9
105.07034	4.2
107.04959	97.8
107.08611	4.5
108.05303	1.3
109.02882	8.3
109.06509	1.4
109.10162	5.3
111.04450	1.2
115.05459	28.2
117.07027	2.6
119.08589	3.8
121.02857	3.4
121.06532	2.3
121.10149	3.8
123.11681	2.4
127.03908	9.6
128.06168	1.0
129.07047	2.4
131.04930	64.0
131.08580	3.2
132.05278	1.5
133.06493	2.4
133.10136	3.6
135.11714	2.5
137.05969	1.6
137.09642	1.4
141.06953	1.8
142.07892	0.9
143.08586	1.6
145.06442	1.6
145.10139	2.0
147.04408	1.0
147.11723	1.2
149.06038	1.8
149.09637	1.1
149.13237	1.8
153.07002	1.2
157.06494	2.0
159.11667	1.3
161.05966	1.2
161.09680	1.2
161.13284	1.7
165.07008	3.6
165.09073	6.1
166.07787	7.6
167.08583	1.8
171.11703	1.5
173.05933	1.1
173.13321	1.5
175.14806	0.9
179.08521	2.1
181.10129	15.2
183.11789	1.4
187.06026	1.3
187.14723	1.2
189.09134	2.5
190.07739	1.5
191.08578	4.9
191.10620	1.0
194.07257	8.0
195.08022	1.5
201.16470	1.0
203.08649	1.1
205.10202	3.5
205.12079	1.0
209.09625	100.0
210.09964	1.9
215.06822	1.2
215.08696	5.8
233.09608	7.2
237.09077	7.0
251.10826	1.1
261.06284	1.0
261.09097	3.0
347.38562	0.9
365.37390	0.9
413.13727	4.1
423.32770	1.6
441.27383	1.5
441.33658	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	441.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74093	0.2
55.05515	0.3
56.05033	1.7
57.03413	0.2
58.67019	0.2
58.94123	0.2
64.85051	0.2
67.25313	0.2
68.43648	0.2
69.03429	0.3
69.06691	0.3
69.07073	4.9
69.54905	1.0
69.55309	0.4
70.06596	1.6
71.33675	0.2
72.08161	2.1
74.06087	3.7
81.03441	0.2
86.09711	100.0
87.10043	0.5
91.05492	0.2
98.06071	0.8
107.04945	0.6
116.07081	3.1
126.05524	6.6
133.10158	0.3
144.06602	0.7
147.04462	0.5
153.47513	0.2
157.13380	1.0
183.14940	0.3
185.12846	1.3
185.16507	2.2
211.14415	1.0
213.15990	3.0
229.15500	2.2
239.13921	25.4
240.14403	0.3
257.14984	22.5
258.15369	0.2
296.84958	0.2
300.19250	0.9
310.17770	0.4
326.24374	0.6
328.18680	14.9
333.03006	0.2
339.59235	0.2
378.50714	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05516	11.1
57.03441	3.4
57.07075	6.1
67.05215	1.8
67.05511	15.3
69.03465	1.4
69.07069	21.3
69.25906	10.5
69.26314	3.7
71.05000	2.6
71.08635	9.8
79.05500	10.6
81.07060	28.6
83.04974	2.3
83.08627	6.0
85.06531	2.3
91.05474	9.6
93.07045	15.6
95.04970	2.5
95.08614	27.3
97.06538	4.6
97.10199	3.2
98.20373	1.3
98.20678	3.0
99.08096	9.2
101.06020	1.9
105.07043	11.8
107.04967	6.8
107.08624	17.0
108.35374	1.6
109.06529	9.5
109.10148	12.1
111.04433	2.6
111.08084	5.3
119.08587	13.0
121.06502	2.8
121.10148	11.2
123.08078	34.6
123.08965	2.2
123.11707	5.7
124.07582	2.5
125.06028	2.0
125.09657	2.9
131.08560	5.5
133.10139	10.9
135.08092	8.3
135.11693	5.9
137.09631	3.0
137.13251	2.0
145.06500	2.1
145.10101	6.1
147.11728	6.5
149.09644	6.5
149.13313	5.4
153.12775	4.5
157.06491	1.8
159.11707	4.5
161.13292	3.1
163.11267	2.4
163.14825	1.9
164.67630	1.5
167.14386	3.0
175.14780	3.3
176.61842	1.8
177.12737	1.9
179.14325	46.4
181.20000	1.4
185.09576	2.6
187.14700	2.2
189.16335	2.9
191.14320	4.6
193.15977	2.6
251.20163	9.7
293.21167	7.3
293.28250	3.7
303.26819	12.6
321.27789	2.7
331.26352	50.0
349.27362	54.2
357.37491	1.8
397.46439	1.9
405.29984	6.6
423.31076	100.0
424.31564	2.2
441.37338	2.8
458.34305	1.7
468.35876	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25615	3.1
51.57592	3.0
55.05509	17.3
57.07064	7.1
67.05499	37.0
69.07069	28.4
71.04976	5.8
77.12304	2.9
79.05480	20.3
81.07059	57.2
83.08606	10.9
85.47206	3.3
87.04464	3.5
91.05482	10.5
93.07048	39.8
95.04977	3.9
95.08611	100.0
97.10150	6.0
105.07028	26.2
107.08603	65.2
109.09483	5.3
109.10158	71.5
111.08061	5.2
111.11724	3.9
113.34546	3.4
115.07575	4.2
119.08588	31.2
121.06465	3.9
121.10159	48.4
123.11740	18.3
131.08545	7.5
133.10123	27.7
135.11678	26.3
137.13275	5.7
143.10689	6.3
145.10127	16.5
147.11697	25.2
149.13242	27.0
159.11702	24.1
161.13272	17.3
163.14784	20.0
173.13266	8.6
175.14818	9.2
177.12817	8.5
177.16394	8.5
181.10559	3.3
185.13301	3.9
187.14792	3.9
189.16418	13.6
191.17953	82.0
201.16434	9.0
203.17941	19.4
215.17969	11.0
217.19597	8.1
237.18509	5.5
249.18599	4.3
251.20050	4.0
310.16068	3.6
441.37695	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	441.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.1
55.05512	20.0
57.07059	7.9
59.05001	4.8
67.05508	33.4
67.55003	2.5
68.84298	2.4
69.07082	25.8
71.08598	3.2
71.48950	3.6
79.05495	15.5
81.07065	48.5
82.29771	2.5
83.04990	2.4
83.08611	9.6
85.06553	3.6
87.04497	3.0
91.05476	11.6
93.07045	36.1
93.70062	3.1
95.08608	100.0
96.38008	2.7
97.10190	16.3
101.06066	2.9
105.07025	21.9
107.08607	47.3
109.10162	61.7
115.07555	4.4
119.08578	27.3
121.09334	3.7
121.10146	38.0
123.11719	21.4
131.08559	2.7
133.10121	20.7
135.11696	34.8
137.13220	3.4
143.10672	5.7
145.10098	6.7
147.11697	20.4
149.13249	27.9
159.11717	7.1
161.13298	12.5
163.14844	9.3
173.13287	5.6
175.14848	6.0
177.12692	3.1
177.16423	7.2
187.14880	4.0
189.16376	12.8
191.17961	72.6
201.16426	2.8
203.18011	16.8
205.15775	2.8
205.19550	7.7
217.19482	13.2
219.17484	4.3
223.16982	5.7
229.19499	2.7
233.18945	3.6
237.18513	13.4
243.21101	3.2
249.18596	7.1
251.20094	11.9
266.73685	2.7
292.82169	2.7
395.00653	3.0
409.27368	6.0
441.37704	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	441.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.0
55.05515	45.8
55.73963	2.1
57.03441	15.8
57.07079	39.7
67.05501	20.0
69.07072	50.6
70.66813	6.7
71.04999	2.9
71.08639	30.7
79.05491	8.4
79.68001	2.3
81.07060	35.8
83.04974	3.1
83.08620	36.7
85.06552	3.1
85.10176	15.7
87.04472	3.6
87.33644	2.1
93.07050	15.4
95.04975	2.1
95.08614	27.9
97.06537	7.3
97.10177	24.5
99.11687	2.1
107.08594	9.5
109.10153	16.0
111.08079	7.4
111.11726	9.3
115.07568	2.5
119.08588	3.4
121.10166	14.9
121.38477	2.5
123.11732	8.3
125.09661	7.6
133.10114	2.8
135.11679	11.7
139.11226	6.4
142.18341	2.5
143.57159	2.4
149.13278	7.3
153.12740	5.0
163.14856	6.2
167.14392	4.9
181.15805	2.5
195.17592	3.3
205.19652	2.2
237.22183	2.5
331.33786	6.7
349.34726	17.5
423.38483	14.8
441.29688	4.7
441.39511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	54.3
57.03450	16.4
57.07081	54.1
61.44494	2.4
67.05511	26.6
69.03468	2.6
69.07076	66.2
71.08629	37.3
71.49195	4.1
74.17084	2.5
79.05495	10.9
81.07064	38.9
83.08631	41.0
85.06545	2.7
85.10190	22.4
87.04445	3.0
91.05503	7.0
93.07056	17.1
95.08615	40.6
97.06549	8.9
97.10176	30.7
101.06043	3.4
105.07032	7.4
107.08601	17.7
109.10167	23.5
111.08094	5.5
111.11723	9.6
119.08589	6.3
120.63076	2.4
121.10143	17.0
123.11726	11.7
125.09624	5.6
127.11207	2.8
131.08582	4.5
133.10155	7.8
135.11745	17.5
137.13356	3.0
139.11208	6.8
143.10896	2.6
145.10126	4.3
147.11719	6.2
149.13263	12.2
153.12775	4.2
159.11801	2.8
163.14876	7.7
171.13625	2.7
177.16466	4.1
181.15907	3.4
205.19576	2.5
245.41782	2.7
254.29842	2.9
331.33643	4.8
349.34595	12.6
423.38483	16.0
441.33798	3.9
441.39450	100.0
442.39877	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	441.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.3
57.07066	9.2
67.05498	41.5
69.07069	40.2
69.19509	14.7
69.19930	14.8
79.05505	19.6
81.07049	63.5
83.08617	16.9
87.04430	3.6
91.05487	14.1
93.07042	50.5
95.08604	100.0
97.10170	13.5
105.07056	14.2
107.08594	60.9
109.09396	4.3
109.10155	88.5
111.08067	5.0
111.11738	6.5
119.08596	20.0
121.10151	53.2
123.11696	59.9
125.13272	3.9
133.08582	4.0
133.10133	13.9
135.11699	43.8
137.13246	12.5
141.12186	3.0
145.10046	3.3
147.11694	13.4
149.13246	37.5
151.14833	6.7
159.11705	5.4
161.13275	7.4
163.14825	26.2
164.15190	3.3
173.13358	4.0
174.59680	3.3
175.14861	8.2
175.45706	3.6
177.16389	14.2
177.47404	3.5
178.67058	3.3
187.14838	6.6
189.16333	13.7
191.17961	44.3
203.17935	12.4
205.19489	9.3
207.17532	5.5
217.19556	8.6
219.21089	8.4
231.21065	6.7
233.22636	4.7
242.76370	3.0
423.39688	12.1
441.40799	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.409
Annotation	Sinetirucallol
Peak:m/z	Relative Intensity
50.55781	2.5
53.03935	3.5
55.05513	29.2
57.07072	22.4
60.63073	3.0
67.05505	30.6
69.07065	36.9
71.08625	14.9
71.49310	3.4
71.49679	3.0
79.05492	25.1
81.07059	65.5
83.08621	28.5
85.10172	15.4
89.55099	2.6
91.05486	18.3
93.07041	51.3
95.08607	100.0
97.10168	25.1
105.07031	32.7
107.08590	54.2
109.10162	73.9
111.11703	10.4
117.06976	5.6
119.08585	36.3
121.10153	49.5
123.11720	32.7
124.16383	2.7
125.13316	3.9
131.08582	9.3
133.10158	25.1
135.11699	28.8
137.13268	15.4
139.11205	3.4
143.08545	7.5
145.10155	17.6
147.11693	26.3
149.09589	9.4
149.13254	28.2
151.14780	7.5
151.53561	2.9
157.10120	6.5
159.11674	16.3
161.13252	23.1
163.14819	18.6
165.12735	3.3
165.16403	4.7
169.10136	3.2
171.11626	3.5
173.13271	14.1
174.18506	3.8
175.14816	14.2
177.16376	12.4
179.17783	3.4
185.13245	5.8
187.14827	16.6
189.16409	13.8
191.17929	14.1
201.16374	14.2
202.27354	3.1
203.17941	12.2
205.15919	3.7
205.19438	4.5
207.17456	4.6
213.16486	4.0
215.17960	8.7
217.19463	5.2
219.21088	7.3
221.22560	4.9
229.19518	8.3
233.18883	3.1
233.22586	3.6
241.19644	5.6
247.20525	4.5
247.24216	4.0
255.21117	5.6
259.20685	3.3
259.24289	3.7
261.25702	3.0
273.22186	4.5
283.24017	3.0
287.23877	3.8
315.26822	4.8
315.30457	4.9
353.32248	3.7
386.73102	3.4
423.34833	4.0
423.40384	29.6
441.41190	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05517	2.4
60.58657	0.9
67.05494	3.1
69.07062	3.4
71.08620	4.1
71.49738	1.1
72.04514	10.9
75.15030	1.0
76.71375	0.9
79.05489	3.6
81.07061	6.0
83.08619	2.1
91.05486	1.9
93.07054	5.2
95.04993	1.3
95.08612	4.7
99.08076	3.1
105.07026	3.5
105.78931	0.9
107.04958	50.0
107.08589	3.3
109.06522	2.2
109.10129	1.8
111.08061	1.1
114.09184	1.2
119.08576	2.8
121.10144	2.6
123.08067	1.5
123.11714	1.0
131.08549	1.1
133.10168	1.2
139.75458	1.0
142.12260	1.0
165.12761	3.7
175.14854	1.5
193.16005	1.0
212.16345	1.1
238.21680	7.8
253.18755	1.0
262.30124	1.0
266.21240	1.2
291.23102	6.2
303.98895	1.0
333.92728	1.0
336.28970	100.0
337.29443	1.8
442.33066	2.7
442.39517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01861	0.9
55.05491	1.6
57.03429	1.6
61.02911	1.2
61.39925	0.3
65.03931	0.5
65.07597	0.4
67.05505	3.1
69.03422	2.2
69.07060	1.1
69.40545	3.0
70.06570	0.8
71.04977	0.9
73.02897	0.5
79.05487	4.8
81.03416	2.3
81.07067	4.1
83.04975	1.4
84.08136	0.4
85.02900	4.1
85.06539	0.4
86.09705	0.5
87.00833	0.6
89.87310	0.5
91.03954	0.6
91.05479	4.7
93.07046	4.8
95.04967	1.9
95.08602	2.6
97.02896	1.9
97.06514	0.9
99.04444	0.9
101.02360	0.5
103.03941	0.6
103.05442	0.6
105.01879	0.6
105.07046	3.5
107.04964	7.1
107.08578	1.6
109.02860	1.4
109.06521	0.7
109.10151	0.8
117.05764	4.7
117.07009	1.4
119.04929	0.4
119.08577	2.4
121.06500	1.2
121.10126	1.0
123.04414	0.8
123.08072	0.9
125.06024	0.5
126.01048	0.5
127.03939	2.7
128.06229	0.4
129.07004	0.9
131.04874	0.5
131.05994	0.6
131.08554	1.2
132.06822	4.1
133.06511	0.7
133.10143	1.3
135.08043	0.9
135.11674	0.5
137.09601	0.5
143.08556	0.8
145.04953	1.0
145.06509	0.9
145.10124	1.2
147.04404	0.6
147.07999	0.8
147.11626	2.0
150.01054	1.5
151.07549	1.1
152.02611	1.6
153.02145	12.5
159.02919	0.5
159.08063	1.1
159.11674	0.8
160.06305	1.6
161.09625	0.6
161.13292	0.7
163.11227	0.7
165.09100	1.6
167.03761	3.1
167.07025	4.4
171.08037	0.7
171.11674	2.1
173.09587	0.6
175.07567	0.9
177.02138	0.8
178.00565	1.8
181.10019	0.4
183.07977	0.6
185.09653	0.7
187.07536	0.5
187.11099	0.6
189.12773	0.9
189.44081	0.4
191.06950	0.4
191.10605	0.4
195.03212	100.0
196.03531	1.6
197.09700	0.5
207.13788	2.2
211.07558	0.5
211.11084	0.5
213.09077	0.6
224.11752	0.5
225.09036	0.6
246.10268	0.4
281.17477	2.6
287.13028	0.5
293.15271	0.6
319.09790	0.4
321.14981	1.8
333.13254	2.0
339.12311	1.5
339.15970	0.7
464.29187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01854	6.2
55.05513	30.0
57.03423	7.6
57.07073	1.7
59.04988	6.2
61.02941	9.1
65.03945	1.6
67.05487	5.5
69.03431	24.3
69.07072	2.0
70.06596	11.0
71.04997	4.3
71.06906	1.8
71.39710	2.8
72.08134	2.5
73.02915	3.3
79.05497	8.7
81.03416	10.8
81.07056	13.0
83.04981	41.3
83.08610	2.0
84.08170	8.1
85.02907	66.0
85.06535	7.6
86.09690	7.1
87.04455	2.5
91.05474	12.9
93.07057	10.9
95.04967	16.3
95.08612	4.4
97.02382	2.1
97.02898	20.6
97.06536	3.9
99.04449	4.5
101.06020	24.4
101.07149	1.6
105.07045	15.8
107.04949	6.0
107.08594	13.0
109.02869	5.8
109.06519	9.5
109.10130	6.3
115.05412	2.0
117.07007	6.1
119.04917	2.1
119.08572	19.5
120.08084	2.2
121.06489	7.2
121.10149	17.9
123.08048	6.2
125.05973	5.3
127.03933	11.5
128.06219	2.3
129.06964	2.9
131.08549	6.1
133.06505	1.8
133.10152	12.6
135.08038	12.0
135.11684	7.1
136.07568	3.7
137.05975	2.8
137.09601	6.1
143.08569	6.6
145.04979	10.8
145.06444	4.5
145.10149	16.0
147.08060	24.5
147.21466	1.6
149.09628	2.7
151.07518	4.4
156.06522	1.9
157.10114	4.5
159.08089	9.3
159.11690	4.4
161.09648	11.2
161.13229	3.6
163.07503	2.3
163.11191	100.0
165.09067	2.5
169.10190	1.9
171.07950	2.3
171.11668	2.7
175.11241	3.5
175.14772	3.0
177.09084	13.1
179.10631	6.9
181.08618	2.6
181.12225	30.8
185.13235	4.5
187.11148	4.0
189.09111	6.3
194.10898	1.9
201.12642	2.7
203.14294	8.9
205.12221	5.6
207.10143	17.5
213.12335	2.7
217.15868	2.8
223.13231	2.8
227.14320	6.1
233.15387	4.5
245.15408	17.1
263.16452	51.9
281.14752	2.7
281.17490	25.4
425.21906	2.9
443.16962	5.0
443.22684	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	443.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.3
53.03934	5.6
55.01864	4.2
55.05520	16.7
57.03430	3.3
57.07061	2.8
65.03937	3.4
67.05508	36.0
69.03432	2.9
69.07079	17.5
70.06600	1.5
70.64004	1.2
71.04979	3.1
71.47733	1.8
77.03922	1.5
79.05496	30.2
81.03426	1.6
81.06593	2.5
81.07060	42.4
83.04977	5.3
83.08624	9.9
85.02889	1.3
85.06518	2.8
86.06075	1.4
91.05485	33.9
93.06487	2.0
93.07047	30.0
93.07639	1.5
95.04970	6.5
95.08611	23.7
97.06547	6.0
97.10150	3.2
99.04459	1.8
99.08092	1.8
103.05486	4.0
105.04518	1.7
105.07036	33.8
107.04955	17.4
107.08603	15.4
109.06519	7.0
109.10159	12.5
111.08066	4.4
115.05486	5.7
116.10728	1.4
117.07021	24.2
119.05015	2.0
119.08588	18.9
121.06511	8.0
121.10140	10.9
122.36964	1.2
123.08083	4.9
123.11700	4.0
125.05997	1.3
125.09644	1.8
127.07591	1.4
128.06230	10.5
129.07010	34.6
130.07788	1.6
131.04953	3.6
131.08572	32.9
133.06514	6.7
133.10129	12.4
135.08038	5.6
135.11693	4.9
137.05980	2.8
137.09639	7.1
139.07520	2.7
141.06996	14.2
142.07790	5.1
143.08578	31.6
145.06511	7.4
145.10117	16.1
147.08069	5.3
147.11678	6.5
149.09677	5.8
149.13228	1.9
149.89304	1.5
151.07550	6.9
151.11150	1.2
153.07010	4.8
154.07784	3.3
155.08546	22.8
156.09315	2.2
157.06482	4.2
157.08936	2.2
157.10139	19.3
159.08072	6.5
159.11684	9.0
161.09644	3.3
161.13281	2.0
163.11172	2.9
165.07007	3.7
165.07674	1.6
165.09134	29.5
166.07805	2.5
167.08546	10.3
168.09300	2.1
169.10114	13.9
171.08086	3.7
171.11707	10.8
173.09650	4.9
173.13214	3.2
175.11237	3.3
177.12706	2.1
178.07697	2.5
179.08531	6.4
180.09412	1.5
181.06433	1.4
181.10092	10.8
183.08049	2.7
183.11725	10.1
185.09619	2.9
185.13242	6.3
187.11256	3.9
187.14870	1.7
189.09166	1.6
189.12720	2.5
191.08656	1.5
191.10605	1.5
192.09344	2.0
193.10172	4.7
194.10876	1.4
195.11684	9.8
197.09584	3.2
197.13249	6.9
199.11139	2.1
199.14856	4.2
201.16478	1.6
203.10780	1.3
205.12250	2.1
207.11763	3.5
209.13295	6.9
211.07671	1.8
211.11278	4.4
211.14874	5.5
213.12772	5.1
213.16454	1.8
221.13249	8.2
223.14896	6.5
225.09004	1.3
225.12738	4.1
225.16342	2.0
227.14331	2.7
229.15970	1.7
231.13829	3.4
231.17287	1.3
233.13248	2.3
235.14833	4.1
235.77400	1.2
237.16463	2.1
239.10689	2.0
239.14371	3.2
241.15823	2.0
243.13870	1.5
245.15390	1.9
249.16412	2.0
250.13318	1.3
253.15948	3.2
255.13931	1.5
255.17616	1.3
257.15451	3.0
259.16983	2.9
267.17502	1.6
271.16901	3.5
295.17017	1.4
305.22687	1.8
321.14853	3.4
323.23642	4.2
333.22125	9.8
339.16052	1.8
341.24893	6.5
351.23163	31.6
369.24286	29.2
370.24728	1.7
387.25247	11.8
425.26788	8.3
425.34476	2.5
443.15137	4.0
443.27966	100.0
443.34766	4.9
444.28348	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.5
57.05814	0.4
60.04524	0.4
60.05654	5.9
64.44093	0.3
64.73088	0.3
67.05490	0.5
69.03423	0.8
69.07072	8.4
69.87988	0.7
69.88383	1.0
70.06596	21.6
72.04506	0.5
72.08157	2.9
81.07060	0.8
84.04485	0.5
84.08131	0.5
85.02879	1.8
86.09711	100.0
87.10041	0.7
91.05495	0.5
93.07078	0.6
93.36098	0.4
95.08587	0.9
97.02928	0.5
97.07671	0.5
98.21407	0.5
105.07044	0.7
107.04977	1.4
107.08595	0.5
109.10101	0.5
112.08717	2.6
112.65839	0.4
113.07131	0.4
115.08694	4.2
116.07093	8.0
120.08102	1.3
121.06493	0.4
121.08478	0.6
128.10722	16.5
130.09804	3.5
133.09787	1.2
134.08096	0.5
137.09633	1.7
151.11256	0.6
156.10208	0.7
156.11314	7.3
158.09245	7.2
159.08064	0.5
175.11919	16.2
177.09119	0.5
199.18098	0.5
205.12247	0.9
226.15692	0.4
228.17006	0.5
245.15402	0.7
253.16728	0.7
261.97131	0.4
263.16492	2.2
269.18692	0.8
271.17667	9.4
275.23865	0.4
281.17499	1.4
288.20346	1.2
324.13531	0.4
425.28629	0.9
443.29807	87.8
444.30106	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	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79658	0.3
55.01868	1.3
55.05505	0.6
57.03438	2.2
57.04548	0.6
59.04999	0.3
60.04550	0.3
61.02912	1.0
69.03436	2.6
70.06596	4.9
71.01337	0.8
71.47906	0.4
72.08138	1.3
73.02914	1.3
73.04755	0.3
74.06065	0.7
76.85387	0.3
81.03407	0.4
84.04511	2.1
84.08115	1.4
85.02907	4.2
86.09704	1.9
87.04463	0.4
87.05601	0.4
91.05824	0.5
94.04060	1.6
97.02881	1.7
99.04469	0.3
101.07146	0.5
103.03973	0.4
105.07030	0.4
107.04961	2.4
109.02882	0.4
110.07142	0.9
112.08705	0.6
115.03928	1.1
116.07050	0.7
123.06666	0.8
127.03922	0.8
129.10225	1.3
130.05002	1.2
130.08664	0.3
133.05013	1.8
135.05397	0.4
136.07567	0.3
140.08170	0.4
145.04907	0.5
147.04492	0.5
149.00589	0.9
150.07750	100.0
151.08032	1.0
156.49393	0.3
159.85649	0.3
167.05496	0.4
168.99522	0.3
173.12831	0.6
176.09167	0.3
184.07443	0.5
185.58508	0.3
187.14467	0.3
192.08899	0.3
195.01102	0.7
201.12236	0.4
203.10347	0.3
212.03726	1.2
215.13945	0.4
222.09689	0.4
264.15930	0.3
282.11975	8.6
282.14969	0.6
297.05496	0.5
298.03851	0.7
312.12921	0.6
315.06607	0.5
359.02780	0.4
369.07571	0.8
444.17169	11.7
444.29333	2.2
445.17252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
61.96719	0.3
62.83833	0.3
69.03420	0.3
69.85165	1.5
70.06586	1.9
72.08163	0.5
77.03930	0.4
79.05499	1.1
81.03425	0.6
84.08125	0.3
85.02892	0.7
86.09716	1.8
95.04955	0.6
107.04957	100.0
108.05307	1.0
121.02859	0.3
126.09156	0.9
134.45544	0.3
147.79105	0.2
158.15749	0.3
159.06520	0.3
182.18433	0.2
183.68791	0.3
200.25366	0.3
222.09169	0.3
232.13281	1.5
236.10834	0.3
265.10986	0.3
282.11322	0.5
338.17557	2.4
444.16745	1.1
444.22009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16648	1.6
55.01851	2.4
56.05016	2.8
60.04521	3.2
69.03431	3.5
69.55193	9.6
70.06599	45.8
71.04988	14.3
72.08160	11.6
74.06085	1.9
79.05489	2.4
81.03423	2.3
84.04509	4.3
84.08143	11.9
85.02902	4.9
86.09703	22.5
88.07628	6.2
95.04999	2.0
97.02895	3.1
98.21471	3.6
107.04961	100.0
109.02860	2.0
110.07175	2.5
116.07110	3.7
117.18125	1.4
120.08086	4.2
123.07991	1.8
127.03934	2.9
127.08690	3.4
129.10272	9.5
130.04982	2.1
130.08640	26.3
132.04396	1.7
134.08139	4.3
136.07581	4.0
137.05946	1.5
143.08163	1.5
143.11859	3.7
155.08130	2.3
161.09708	1.9
176.09192	45.8
177.09113	2.0
217.09862	1.5
217.11864	4.3
232.12965	2.1
246.14873	1.4
256.12811	3.0
264.16672	3.1
274.14160	1.8
282.15067	5.0
282.17871	1.8
298.14438	2.0
306.13452	1.5
444.20438	14.0
444.29520	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
55.43692	0.5
56.05037	0.8
69.03440	0.6
69.07070	5.9
69.47128	2.9
70.06609	2.2
70.06917	0.4
72.08159	41.6
81.03442	0.8
84.04502	0.7
84.08154	2.4
85.02931	0.8
85.06527	0.9
86.09709	100.0
87.10035	0.9
91.05500	0.7
107.04977	0.8
120.08107	3.3
129.10245	19.4
136.07599	1.1
154.79041	0.5
157.09720	8.8
164.07130	0.5
171.11348	1.4
175.10768	6.7
185.16510	4.6
186.31583	0.4
189.10336	0.9
197.16501	0.5
213.15947	6.1
225.15929	4.0
242.15125	1.2
256.16638	0.6
263.16312	0.5
264.16763	1.1
270.18130	23.9
271.18521	0.5
288.12390	0.8
288.19180	2.7
306.13498	1.3
324.31863	0.4
341.25549	1.7
369.24905	2.5
444.22333	0.7
456.89444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70354	0.6
53.03931	2.1
55.05507	1.7
57.03408	1.0
67.05505	1.2
69.03432	4.8
69.07041	0.7
70.06578	3.1
70.86024	2.0
72.08153	7.3
73.02908	0.8
73.04742	1.5
74.06035	0.8
79.05489	1.4
81.03437	4.0
81.07045	1.7
85.02911	10.6
86.09715	8.7
87.00833	4.1
91.05474	3.9
93.07049	5.3
95.04958	1.3
95.08612	0.8
97.02921	3.8
99.04439	1.5
105.01849	2.4
105.07027	5.6
107.04971	4.6
107.08597	16.5
108.05299	1.5
109.02900	6.7
109.06538	1.9
109.10174	1.0
115.05396	0.7
119.04977	0.8
119.08617	1.9
120.08151	0.9
121.06502	2.9
123.04436	1.5
127.03918	7.1
133.10135	17.6
135.11697	19.2
137.09601	1.1
145.04944	1.8
151.11183	1.8
160.74019	0.7
161.09624	12.0
167.05595	0.9
169.09813	0.9
179.10681	35.4
187.10672	1.4
197.11746	100.0
198.12045	1.9
199.18112	1.0
201.48068	0.8
209.05992	2.6
215.10168	1.3
219.13626	0.7
231.05057	1.9
283.09714	0.8
311.09116	0.7
359.02750	0.9
382.93677	0.8
417.17096	0.8
445.17255	2.3
446.10648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70354	0.6
53.03931	2.1
55.05507	1.7
57.03408	1.0
67.05505	1.2
69.03432	4.8
69.07041	0.7
70.06578	3.1
70.86024	2.0
72.08153	7.3
73.02908	0.8
73.04742	1.5
74.06035	0.8
79.05489	1.4
81.03437	4.0
81.07045	1.7
85.02911	10.6
86.09715	8.7
87.00833	4.1
91.05474	3.9
93.07049	5.3
95.04958	1.3
95.08612	0.8
97.02921	3.8
99.04439	1.5
105.01849	2.4
105.07027	5.6
107.04971	4.6
107.08597	16.5
108.05299	1.5
109.02900	6.7
109.06538	1.9
109.10174	1.0
115.05396	0.7
119.04977	0.8
119.08617	1.9
120.08151	0.9
121.06502	2.9
123.04436	1.5
127.03918	7.1
133.10135	17.6
135.11697	19.2
137.09601	1.1
145.04944	1.8
151.11183	1.8
160.74019	0.7
161.09624	12.0
167.05595	0.9
169.09813	0.9
179.10681	35.4
187.10672	1.4
197.11746	100.0
198.12045	1.9
199.18112	1.0
201.48068	0.8
209.05992	2.6
215.10168	1.3
219.13626	0.7
231.05057	1.9
283.09714	0.8
311.09116	0.7
359.02750	0.9
382.93677	0.8
417.17096	0.8
445.17255	2.3
446.10648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1838
Annotation	Aglacin D
Peak:m/z	Relative Intensity
54.00088	1.8
55.25382	1.9
56.96565	3.6
69.03422	4.3
69.48290	14.1
69.48707	3.1
84.04512	2.3
85.02893	4.0
86.06053	2.2
86.09728	2.2
97.02900	3.9
98.97602	5.6
102.91305	1.9
102.96921	2.3
107.04966	4.9
107.51700	1.9
110.97534	2.1
116.98695	2.1
122.29806	2.1
123.04401	2.2
124.17956	2.3
145.05042	2.1
194.26466	1.9
203.04193	2.1
275.29465	2.0
287.05569	2.8
361.02432	2.9
387.25998	2.1
445.18396	100.0
446.18845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.6
55.01849	3.0
55.05514	23.5
57.03441	20.5
57.07076	6.8
58.63574	3.1
67.05504	54.9
68.71073	3.1
69.03431	27.9
69.07068	18.9
71.04604	5.9
71.04993	100.0
71.49162	5.1
75.26596	3.3
79.05506	24.1
81.03416	71.8
81.06590	6.2
81.07056	94.0
83.04974	22.8
83.08614	20.6
85.02894	11.1
85.06516	9.1
90.84715	3.5
91.05461	42.7
93.07051	42.4
93.55452	3.8
95.04939	4.0
95.08611	53.4
95.20475	3.2
97.02905	33.3
97.06540	10.6
97.10194	7.1
99.04467	7.1
105.07023	25.2
106.95049	3.9
107.08605	40.2
109.02887	7.8
109.06512	6.6
109.10150	33.3
111.04386	3.5
111.08086	7.7
117.07012	6.7
119.08578	17.2
121.10146	31.0
123.11698	21.9
123.20683	3.4
127.03909	11.3
129.05479	6.8
131.06993	3.7
131.08554	13.1
133.10146	41.9
135.11696	24.1
139.07581	3.5
147.11670	8.8
149.13257	19.0
151.11174	23.8
159.11707	12.8
161.13307	5.8
163.14790	4.5
165.09152	6.0
169.12212	7.0
173.04471	28.1
173.13274	4.3
177.12773	6.7
183.13789	14.1
187.13303	27.2
191.14125	3.7
191.17912	18.5
193.12254	3.7
195.13802	8.6
201.14850	21.5
203.17865	4.0
209.15369	6.5
213.14662	4.0
223.17023	4.9
235.16869	5.4
243.15982	6.0
253.41815	3.9
257.17505	63.2
277.60742	4.0
293.52481	3.7
297.91721	4.4
359.02612	4.4
413.21689	12.6
427.35941	5.5
445.24405	63.7
445.37225	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	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33575	1.6
53.03935	6.0
55.01855	2.7
55.05516	10.8
57.03444	11.5
60.38111	1.6
65.03934	3.6
67.05140	1.8
67.05508	43.4
69.03430	18.7
69.07069	9.1
70.50295	5.6
71.04996	100.0
71.40134	1.8
72.11578	1.5
73.04762	1.8
79.05489	18.2
81.03419	24.8
81.07057	60.0
83.04978	9.9
83.08607	6.2
85.02908	8.7
85.06548	10.1
87.04436	2.0
91.05479	38.5
93.07044	17.7
95.04960	5.4
95.08615	10.5
97.02899	31.3
97.06556	9.4
97.07064	1.8
99.04457	6.1
103.03901	2.2
103.66132	1.7
105.07032	21.5
107.04950	14.9
107.08604	16.5
109.02870	6.9
109.06530	6.0
109.10175	10.7
111.04430	5.2
111.08066	2.5
117.06995	4.1
119.08608	2.5
121.06461	2.2
121.10126	6.2
123.08057	2.0
123.11703	15.4
127.03917	10.5
131.04913	2.5
131.08563	5.9
133.10143	29.9
135.11713	3.0
137.05969	2.4
145.10133	4.0
147.11690	3.8
149.13268	5.5
151.07603	1.9
151.11168	19.6
159.04417	2.0
159.11714	9.6
161.13382	2.4
169.12257	5.0
171.11865	2.0
173.04474	8.0
175.11061	1.9
177.12717	6.9
183.06517	1.9
183.13792	7.6
187.13345	20.9
187.14845	3.2
188.11737	2.0
191.07072	3.7
192.04149	2.4
195.13765	5.8
201.14883	17.3
213.09050	2.0
214.50188	1.8
243.15894	4.7
257.17480	58.3
269.17416	6.0
275.16364	2.3
283.09668	8.1
301.20026	8.1
351.17923	1.8
359.02850	1.9
395.20792	4.1
413.21771	8.1
427.28445	1.9
429.49515	1.7
445.18112	1.8
445.24307	50.7
445.29495	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01875	3.7
55.05519	11.9
57.07069	2.1
58.69855	2.0
61.49115	1.7
65.03934	2.4
67.05513	23.1
69.03432	9.8
69.07072	17.0
70.39690	4.6
70.40028	2.0
71.05003	3.0
79.05502	14.9
81.03408	7.3
81.07063	37.5
83.04984	15.7
83.08623	7.2
84.08136	3.4
85.06548	3.4
91.05449	14.6
93.07047	27.2
95.04961	7.2
95.08611	27.0
95.60931	1.5
97.02881	2.6
97.06530	6.8
97.10205	2.7
99.04449	5.0
103.05470	2.4
105.07041	22.7
107.04968	43.7
107.08608	22.8
109.02908	15.7
109.06514	11.1
109.09475	3.3
109.10162	32.0
111.04459	13.0
111.08075	3.5
113.06013	1.9
115.05482	3.0
116.14992	1.5
117.07018	6.6
119.04929	3.0
119.08607	18.2
121.02888	1.9
121.06544	10.1
121.10133	20.9
123.04392	2.4
123.08060	8.0
123.11711	10.9
125.05984	12.5
125.09634	3.7
127.03934	11.0
129.07002	4.8
130.07796	2.5
131.04951	3.9
131.08592	12.6
133.06471	4.7
133.10172	12.9
133.19029	1.6
135.08063	10.3
135.11688	11.5
137.05981	10.9
137.09596	7.3
137.13275	2.8
139.03897	31.1
139.07532	2.8
141.05487	3.4
141.06990	2.2
142.07712	2.3
143.08571	4.7
144.09306	2.4
145.06519	4.0
145.10104	15.4
147.08066	10.3
147.11726	11.1
149.05981	3.6
149.09639	17.1
149.13257	3.9
151.07608	8.4
151.11172	4.9
153.05507	4.1
153.09074	2.4
153.12827	2.1
155.08578	3.1
156.09398	2.4
157.06526	2.0
157.10159	7.8
158.10846	1.9
159.08072	4.1
159.11696	11.2
161.09673	8.0
161.13243	4.8
163.07535	8.6
163.11168	8.0
165.05495	4.9
165.06927	2.1
165.09132	22.0
165.12755	3.1
167.07039	8.8
167.08530	3.7
169.10217	2.8
171.08096	5.3
171.11707	3.3
173.09697	9.3
173.13246	4.1
175.07568	3.2
175.11180	2.8
177.09142	5.4
177.12762	2.3
177.16319	4.5
179.10710	3.0
181.04941	9.5
181.06313	2.0
181.08534	3.5
181.10081	2.3
183.08047	2.2
183.11632	2.0
185.09601	5.2
187.07500	4.7
187.11195	5.5
187.14806	3.8
189.09106	5.2
189.12805	4.0
191.07043	100.0
191.10667	4.6
193.04933	2.1
193.08661	2.8
194.97304	1.7
195.08080	3.2
197.09590	3.4
197.13284	3.0
199.11108	2.0
199.14885	4.4
201.09088	8.8
201.16386	3.0
203.10709	4.9
203.14212	2.2
205.08603	6.3
205.12248	2.7
205.15947	3.1
207.10001	2.2
209.09734	2.5
211.07539	1.7
211.11168	3.0
213.09029	4.6
215.10696	5.4
215.14384	9.3
217.12352	2.2
219.13863	1.9
223.11156	2.2
225.09009	1.9
229.12274	2.8
233.15324	4.0
243.13744	15.1
245.15405	2.8
247.13245	2.7
253.12341	2.6
257.15244	2.7
261.14877	21.6
271.13272	9.3
275.16513	2.9
279.15802	1.7
283.09900	3.6
289.14380	44.8
289.17584	3.0
291.15894	2.2
303.15820	12.0
307.15469	5.2
315.23257	3.0
359.02835	2.6
391.26678	2.6
409.27420	7.4
427.19348	2.1
427.28427	27.1
445.15659	3.4
445.29559	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01858	6.4
55.05513	21.7
57.07063	3.7
61.95459	1.7
67.05182	2.4
67.05508	28.6
67.62450	1.8
69.03415	8.6
69.06733	2.9
69.07070	32.7
71.04982	2.4
73.04729	2.1
79.05486	18.7
81.03391	5.2
81.06602	3.3
81.07056	53.9
83.04985	22.7
83.08596	6.2
85.06555	3.5
91.05455	18.3
93.07040	33.9
95.04974	9.2
95.08606	28.8
97.02861	2.7
97.06526	9.7
99.04462	4.6
105.04434	2.8
105.07036	27.0
107.04957	42.7
107.08606	32.9
109.02877	13.0
109.06512	13.5
109.10152	39.9
111.04455	13.8
111.08049	3.4
115.05467	3.3
115.85402	2.1
116.06407	2.3
117.07008	7.4
119.04935	4.6
119.08590	21.4
121.06539	10.2
121.10146	27.0
123.04426	4.4
123.08060	6.1
123.11753	11.5
125.05994	12.4
125.09621	4.9
127.03924	10.7
128.06244	2.3
129.07011	4.8
130.07773	2.8
131.04932	2.6
131.08571	12.0
133.06496	5.0
133.10167	14.8
135.08067	10.6
135.11732	14.2
137.05969	14.4
137.09619	6.3
137.13269	3.6
139.03909	41.8
139.07504	2.4
141.07033	2.7
143.08559	7.3
145.06471	4.9
145.10147	18.1
147.04356	2.5
147.08046	5.1
147.11656	10.1
149.06029	3.0
149.09622	20.3
149.13242	5.6
151.03880	2.6
151.07547	10.3
151.11147	5.8
153.05450	8.6
153.09077	3.3
153.12759	5.3
155.07034	2.0
155.08521	5.1
156.09322	2.3
157.06450	2.7
157.10129	8.5
159.08031	8.3
159.11725	10.0
161.06017	2.9
161.09631	8.8
161.13341	4.5
163.07576	9.6
163.11139	14.5
163.14719	2.2
165.05460	3.9
165.09117	15.8
165.12718	4.3
167.07077	11.6
167.08379	2.8
169.10110	5.6
171.08057	5.5
171.11653	4.6
173.09599	11.1
173.13272	5.0
175.07523	3.3
175.11121	2.5
175.14824	4.7
177.09084	8.3
177.12881	2.3
177.16396	3.7
178.04877	2.4
179.10651	3.9
181.05019	10.7
181.10086	2.3
183.08202	2.5
185.09560	3.7
187.07532	6.1
187.11182	8.4
187.14822	4.5
189.09137	5.9
189.12874	2.9
191.07033	100.0
191.10635	7.4
193.08630	4.1
193.15901	2.2
195.08063	3.3
197.09566	3.2
197.13297	4.8
199.11171	3.9
199.14841	3.8
201.09094	7.5
201.12741	4.3
201.16438	3.3
203.10614	4.7
203.18001	2.9
205.08568	2.9
205.12126	2.7
208.08630	2.0
209.09813	2.8
209.11615	2.9
210.10384	2.8
213.09137	3.9
213.16464	2.9
215.10683	7.0
215.14275	7.0
217.15858	2.1
219.10161	3.1
219.13797	3.1
225.12680	3.3
229.12204	2.5
229.15997	1.9
229.68536	2.1
233.11696	3.1
233.15408	3.8
239.14287	1.9
241.12213	4.0
243.13835	15.0
245.15245	2.5
247.13414	3.4
253.12291	3.2
255.13777	2.4
255.17024	2.5
257.15356	5.5
259.13251	2.3
261.14835	19.9
271.13348	7.4
273.14926	1.9
275.16467	6.9
283.09714	2.5
285.14740	3.0
289.14374	40.4
301.18079	2.2
303.15985	21.7
304.19278	2.1
307.15393	4.8
315.23215	2.5
355.71741	2.0
409.27414	9.1
427.28479	41.7
427.34143	1.5
445.29510	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	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01859	2.2
55.05514	16.2
57.03423	2.4
57.07058	1.0
57.37607	0.7
65.03925	3.3
67.05506	34.9
67.82758	0.8
69.07066	13.0
71.04976	3.1
76.35011	0.7
79.05495	36.5
81.03411	1.8
81.07057	35.5
83.04974	2.3
83.08617	6.1
85.06540	2.6
89.50262	0.9
91.05481	52.2
93.07045	29.1
95.04974	6.0
95.08612	20.2
97.06524	4.8
97.10167	2.9
103.05470	3.3
105.04537	2.0
105.07033	45.7
107.04964	4.1
107.08597	13.6
109.06509	3.9
109.10145	7.0
111.08089	1.3
115.05460	3.2
116.06211	1.7
117.07020	22.6
119.04945	1.1
119.08583	28.1
121.06496	3.7
121.10149	10.8
123.08080	2.7
123.11743	1.0
125.09630	1.4
128.05377	0.8
128.06190	4.7
129.07002	17.4
130.07826	1.7
131.08566	35.9
133.06471	2.0
133.10127	15.7
134.68532	0.8
135.08125	1.9
135.11682	4.6
135.52002	0.8
137.09619	1.1
140.42490	0.8
141.06985	4.8
142.07796	2.7
143.08562	17.2
144.09412	1.2
145.06447	2.3
145.10130	21.3
147.08057	2.7
147.11664	5.0
148.39220	0.8
149.09608	2.9
149.13263	1.2
153.07063	1.1
155.08556	8.0
156.09315	1.5
157.06477	1.0
157.10132	9.8
159.08067	2.4
159.11697	10.0
161.09631	2.1
161.13345	2.0
163.11188	1.1
165.12796	0.8
167.08543	2.7
168.09430	1.1
169.10118	6.4
171.11700	8.2
173.09509	0.9
173.13283	4.0
175.11235	1.3
179.14537	1.0
181.10120	3.6
183.11710	4.4
185.09610	1.3
185.13283	4.2
187.11148	1.9
187.14778	2.2
195.11700	4.8
197.13304	5.3
199.11188	1.2
199.14899	2.6
201.12708	2.4
201.16382	1.4
209.13258	3.7
211.14909	2.4
213.12617	1.1
213.16351	1.3
215.14333	2.0
217.15929	1.6
219.13680	1.0
223.14754	2.0
225.16333	0.9
227.14238	1.6
229.15996	1.7
233.15402	1.2
235.14819	1.1
237.16333	0.8
241.15999	2.5
245.15344	1.5
247.16951	3.8
255.17436	1.4
259.17020	2.7
261.18484	1.8
269.18939	1.2
271.16876	1.5
273.18417	1.6
287.20016	1.2
307.24219	1.1
325.25259	5.2
335.23709	5.2
343.26376	5.9
352.54282	0.9
353.24750	19.0
371.25806	20.1
371.30524	1.1
389.26883	19.1
427.28384	3.8
445.29495	100.0
446.29855	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
51.72968	0.7
53.03934	3.3
54.11237	0.8
55.01867	2.7
55.05276	1.1
55.05515	17.7
56.42411	0.6
57.03457	3.6
57.03674	0.8
57.07077	1.6
65.03925	1.9
65.90652	0.7
67.05508	40.3
69.03423	1.8
69.06742	1.1
69.07073	14.5
71.02692	1.6
71.04980	3.4
71.15607	0.8
77.03924	0.8
79.05025	1.0
79.05497	38.5
81.03411	2.6
81.07059	39.5
83.04973	2.5
83.08611	6.8
85.06540	2.2
91.05482	50.1
93.07047	31.8
93.07643	1.5
95.04972	5.8
95.08611	24.3
97.06542	3.6
97.10152	3.3
99.08084	1.4
103.05479	1.5
105.04523	0.9
105.07036	50.3
107.04974	5.1
107.08596	13.7
109.06544	4.9
109.10155	6.1
111.08110	1.5
115.05443	2.8
116.06263	1.4
117.07019	24.9
119.04943	1.1
119.08591	28.1
121.06497	4.5
121.10152	11.0
123.08064	3.1
123.11696	1.5
123.83038	0.7
125.09608	1.7
128.06210	3.9
129.07018	17.7
130.07797	1.9
131.08575	37.4
133.06470	4.0
133.10129	14.7
135.08076	3.5
135.11691	5.1
137.09557	1.6
141.06992	6.6
142.07762	2.5
143.07527	1.1
143.08580	17.3
145.06470	3.4
145.10129	24.9
147.08125	3.9
147.11737	4.6
149.09624	2.6
149.13348	1.3
151.11130	1.3
153.06944	1.0
154.07822	1.2
155.08542	7.7
156.09254	1.3
157.06564	1.5
157.08961	1.0
157.10162	11.2
159.08026	3.3
159.11691	10.5
161.09642	3.1
161.13225	3.2
163.11127	1.2
165.09189	0.8
167.05617	0.9
167.08566	3.5
168.09402	1.4
169.10155	9.1
171.08060	2.5
171.11708	7.6
173.09595	2.2
173.13280	5.0
175.11185	1.6
177.12721	2.0
179.08539	1.0
181.10049	3.7
183.11635	6.3
185.09627	2.1
185.13255	4.1
187.11176	2.0
187.14838	3.3
189.12776	0.8
195.11673	3.7
197.13318	5.2
199.11211	1.8
199.14841	3.3
201.12755	1.5
201.16486	1.1
205.12114	0.8
207.11774	1.0
209.13290	3.8
211.14835	3.3
213.12762	1.9
213.16351	1.9
215.14377	2.0
217.15904	1.2
223.14766	2.0
225.16440	1.8
227.14241	1.3
229.15924	1.5
233.15372	1.9
237.16396	1.3
241.15891	2.3
243.17511	0.9
245.15430	1.6
247.16989	3.3
255.17360	2.4
257.18674	0.8
259.16940	2.8
261.18494	2.2
269.19159	0.9
273.18536	1.5
275.20090	1.1
307.24164	1.0
325.25272	5.4
335.23703	6.3
343.26373	7.4
353.24780	21.4
363.01672	0.8
371.25836	22.2
389.26840	19.2
399.29230	0.8
427.28372	5.5
445.29492	100.0
446.29767	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	445.368
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03941	4.8
55.05514	37.4
57.07080	38.4
63.29087	2.9
67.05509	35.4
69.07075	72.8
69.18703	2.6
70.08639	2.3
71.05013	5.2
71.08633	26.7
71.13792	4.6
71.14120	3.2
73.04737	2.9
79.05495	21.6
81.06599	4.2
81.07064	74.2
83.05006	3.6
83.08620	39.5
85.06534	4.4
85.10172	18.8
91.05480	25.1
93.07054	48.2
95.04971	5.9
95.08614	100.0
97.06498	4.7
97.10177	28.9
105.07037	46.5
107.07889	3.7
107.08604	66.0
109.06493	7.7
109.10174	51.7
110.14700	2.8
111.08070	4.1
111.11716	16.3
117.07020	9.3
119.08585	41.9
121.06496	4.0
121.10151	41.4
123.08069	7.8
123.11719	27.9
125.13284	6.0
128.06175	2.9
128.36638	2.7
129.06964	2.8
131.08582	24.9
133.04875	2.6
133.10141	38.1
135.08043	5.2
135.11708	29.0
137.05972	8.9
137.09630	9.6
137.13263	11.0
139.07559	9.2
143.08585	7.8
145.10133	33.5
147.08044	3.6
147.11679	29.1
149.09615	13.2
149.13266	21.9
151.07532	3.7
155.07048	6.2
157.10143	13.6
159.11696	24.0
161.09680	5.2
161.13277	19.6
163.11140	8.4
163.14813	10.8
165.09126	79.6
165.10538	4.2
165.16440	3.7
166.09431	3.3
171.11685	9.2
173.09554	3.4
173.13184	13.7
175.11192	5.2
175.14836	15.7
177.09116	12.8
177.16423	6.3
179.10678	4.8
185.13269	10.3
187.11110	3.3
187.14819	10.0
189.09059	4.3
189.16371	10.9
190.35939	2.9
191.10783	12.9
191.17944	4.5
199.14868	6.4
201.16402	8.6
203.10677	4.0
203.17976	12.5
205.12187	13.4
213.16277	3.1
214.79594	2.8
215.17989	3.2
217.12234	3.3
219.13814	6.7
219.17349	3.0
227.17918	8.0
231.13870	4.2
231.21199	5.1
233.22662	3.8
245.15393	4.2
247.24280	3.2
261.25870	5.4
263.16318	3.4
273.18433	6.3
287.20154	7.8
287.27383	3.6
289.21619	3.6
305.20938	4.2
341.32172	8.5
343.33676	19.4
358.42911	2.7
385.34784	5.2
399.36279	4.7
409.34821	7.3
427.35812	44.2
445.30615	3.8
445.36874	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
53.76796	2.4
55.01865	10.1
55.05513	43.3
57.07079	48.6
59.05831	2.1
60.95565	2.5
67.05511	26.1
69.03436	3.0
69.07073	83.4
71.08636	29.8
71.48803	4.0
75.06888	2.2
79.05489	20.2
81.06596	4.8
81.07059	69.1
83.01323	2.5
83.04955	5.9
83.08627	51.8
83.89129	2.6
85.06544	3.3
85.10187	17.1
91.05455	14.1
93.07053	35.2
95.08612	52.8
96.30276	2.5
97.06532	8.2
97.10175	30.8
102.10705	2.3
105.07005	8.2
107.08598	32.9
109.06506	7.2
109.10171	29.9
111.08094	13.1
111.11736	19.9
119.08572	9.4
121.06499	7.1
121.10155	21.9
123.08065	9.3
123.11722	13.5
124.05189	5.4
125.09573	3.5
125.13279	12.5
131.08600	4.4
133.10127	7.0
135.08119	5.5
135.11734	13.9
137.05945	10.0
137.09586	10.1
137.13268	5.2
139.07550	100.0
144.73282	2.3
145.10173	5.2
147.11693	3.8
149.09618	8.4
149.13260	13.5
151.07547	6.9
159.11685	4.1
161.13216	4.8
163.11139	5.6
163.14832	15.1
164.07080	2.6
164.08372	5.2
165.05470	16.1
165.09128	90.3
166.09476	4.5
173.09711	3.3
175.07507	2.5
175.11159	6.9
177.09163	7.3
177.16365	7.4
181.08650	4.4
187.14638	2.3
189.12746	6.9
191.10805	4.5
193.08614	16.4
203.10649	8.7
203.14278	3.8
205.12262	4.1
217.12247	5.7
219.13782	5.5
221.11694	6.3
231.13939	6.0
233.15195	2.7
289.28882	15.6
307.30005	25.8
399.36646	4.5
417.37360	5.9
420.18771	2.5
427.35696	12.1
428.35703	3.4
445.36768	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.05521	11.4
57.07075	5.6
58.73849	1.0
67.05518	7.4
68.82600	1.1
68.99777	1.2
69.03393	1.2
69.07068	20.0
71.04999	1.2
71.08626	4.4
71.20103	2.5
79.05493	3.0
80.11562	1.0
81.07066	10.1
83.08621	11.4
85.00106	1.3
91.05492	4.3
92.51443	1.1
93.07054	4.2
94.54664	1.0
95.08618	7.9
97.10152	6.2
99.04463	1.2
105.07019	3.0
107.08588	5.1
109.06565	1.1
109.10157	8.3
111.11716	3.6
117.07072	1.2
118.68568	1.1
119.08546	5.2
121.06520	1.1
121.10143	3.7
122.07294	1.9
123.08048	1.4
123.11700	2.2
125.13283	1.9
131.08540	1.6
133.10161	1.3
135.08066	3.1
135.11713	1.7
137.09627	12.2
137.13254	1.5
139.07573	2.2
145.10179	1.9
149.09618	8.2
157.10168	1.6
159.11649	1.4
160.08902	1.0
161.09630	1.6
163.11143	6.4
165.09122	100.0
166.09464	2.6
169.08675	1.5
173.09648	1.3
173.13341	1.3
175.11165	4.0
177.09071	5.4
179.10587	1.3
189.09065	2.5
189.12679	2.4
191.10684	3.6
201.12799	1.5
203.10725	7.5
203.14288	2.9
205.12268	7.5
213.12910	1.3
219.13858	1.9
231.13928	1.5
233.93309	1.1
275.20148	1.3
305.98471	1.1
313.75238	1.1
401.30188	1.4
427.35724	7.7
430.17563	1.9
445.19812	9.7
469.80566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75754	2.5
53.03944	3.6
53.97647	3.0
55.01864	9.5
55.05265	3.8
55.05515	43.5
57.06841	4.2
57.07080	50.1
59.25032	2.8
67.05508	27.7
69.07070	79.3
70.61991	4.8
71.08627	33.6
77.78436	2.2
79.05491	19.4
79.17950	2.5
81.06597	4.3
81.07058	74.5
83.04981	6.2
83.08627	50.5
85.10204	15.8
91.05463	12.3
93.07050	32.6
95.08611	53.6
97.06510	7.4
97.10187	36.5
105.07049	4.0
107.08582	32.9
109.06501	5.6
109.10143	25.9
111.08094	13.9
111.11729	20.2
119.08565	9.5
121.06512	8.1
121.10148	14.1
123.08088	5.9
123.11717	10.3
124.05180	4.2
125.13310	6.6
133.10095	7.0
135.08086	7.5
135.11713	16.0
137.05975	10.9
137.09566	2.8
137.13274	3.9
139.07541	100.0
139.11153	3.4
143.08540	3.3
145.10133	3.9
149.09657	5.5
149.13283	14.9
151.07542	9.3
155.49945	2.7
156.09319	3.2
157.10089	5.6
159.11641	3.1
161.09549	3.3
161.13211	3.9
163.14835	15.1
165.05486	16.5
165.09120	34.1
170.65814	3.2
171.11705	4.9
172.64043	3.0
175.11212	8.7
177.09132	7.6
177.16302	3.4
181.08640	3.9
189.09077	3.0
189.12708	5.4
193.08585	14.1
203.10672	5.8
203.14178	3.8
205.12280	3.4
217.12320	7.6
219.13878	3.3
221.11581	3.3
231.13828	8.4
233.22629	3.5
289.28757	16.5
307.29898	21.8
361.95313	2.9
379.83426	3.2
381.35040	3.6
417.37344	6.4
427.35687	8.7
439.49722	2.7
441.29718	2.8
443.50339	2.9
445.36783	45.7
470.63644	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	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01857	5.8
55.05516	31.9
57.07079	41.4
62.22749	2.0
62.45241	2.0
67.05511	16.8
69.07072	61.6
71.06611	2.2
71.08640	29.6
71.40254	3.6
79.05495	13.6
79.33322	2.1
81.06597	3.8
81.07060	62.5
83.04973	6.1
83.08624	45.0
85.06501	2.5
85.10185	12.7
91.05475	7.1
93.07050	27.4
95.04982	2.1
95.08002	2.2
95.08608	46.4
97.06528	9.1
97.10175	31.2
105.07021	5.6
107.08607	25.2
109.06509	3.7
109.10159	23.7
111.08098	11.7
111.11725	17.2
119.08606	4.4
121.06505	6.4
121.10134	18.5
123.08067	7.1
123.11739	14.1
124.05228	3.2
125.09689	3.9
125.13251	6.9
133.10117	4.1
135.11682	14.9
137.05989	11.2
137.13234	4.9
139.07552	100.0
139.14832	3.4
147.11685	3.9
149.09587	5.7
149.13257	16.4
151.07541	8.2
153.12669	2.8
159.11722	2.6
161.09590	3.7
161.13170	2.5
163.14815	14.1
165.05499	11.9
165.09134	21.2
167.07007	2.2
167.14352	3.0
171.11729	2.2
175.07562	3.7
175.11201	4.9
177.09129	4.0
177.16368	5.6
179.17920	2.5
181.08583	5.1
189.12834	2.4
192.83963	2.0
193.08630	15.1
203.10641	5.7
217.12253	5.0
219.13773	2.6
221.11832	5.0
231.13829	3.4
235.13312	4.1
249.14963	2.3
289.28891	19.8
301.21637	2.1
307.29996	23.9
318.97305	2.1
319.22269	2.4
347.60556	2.3
399.36121	2.7
417.37402	4.1
427.35648	7.3
445.36823	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01862	7.8
55.05516	45.3
57.07079	50.1
63.12863	3.0
67.05505	22.2
69.03418	3.8
69.07076	87.1
69.61806	2.9
71.08636	32.4
75.98853	3.2
79.05515	15.8
81.07059	67.4
83.04979	4.2
83.08630	54.3
83.87886	3.6
85.10194	17.2
85.10614	2.8
91.05480	14.1
93.07049	29.5
95.08617	42.3
97.06537	7.7
97.10190	29.2
99.11754	3.1
105.07020	4.4
107.08603	29.0
108.53143	3.4
109.06510	6.3
109.10165	27.3
111.08079	12.3
111.11733	23.3
119.08565	10.5
121.06506	11.7
121.10168	15.5
123.08046	6.5
123.11713	12.5
124.05199	6.0
125.13291	9.0
133.10139	5.8
135.08046	5.0
135.11716	13.6
137.05960	15.7
137.09654	5.1
139.07549	100.0
147.11722	4.0
149.09593	7.3
149.13260	20.2
151.07555	10.8
151.14873	4.0
159.11722	5.4
161.09601	7.4
161.13336	3.7
163.14830	13.9
165.05537	19.7
165.09120	19.1
173.09491	4.8
175.11157	4.4
177.09074	9.7
177.16371	4.7
185.13284	3.4
189.12836	4.2
193.08611	15.6
203.10622	5.2
205.12257	6.2
213.12811	3.4
214.25926	3.4
221.11682	5.3
235.13203	3.5
289.28912	15.7
305.21155	3.3
307.30078	20.8
399.36237	9.4
400.98825	3.6
417.37500	6.6
427.35654	9.6
445.36862	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	446.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06612	1.1
55.05492	1.1
56.05027	3.5
56.96565	1.7
67.05489	1.0
69.03413	2.4
69.07063	4.8
69.99728	1.1
70.06599	5.4
71.48584	1.8
72.08160	15.0
73.04753	3.2
73.11610	1.0
73.30790	1.2
74.00657	1.9
74.06074	4.4
81.03431	1.2
83.06099	3.5
84.04507	18.9
84.08148	22.7
85.02891	3.7
86.09707	40.6
87.05623	2.7
88.03988	4.2
91.05839	5.0
96.08179	1.5
97.02882	2.4
98.97569	5.6
99.05555	2.1
101.10775	1.4
102.05553	3.9
107.04959	8.2
107.06066	1.7
108.40762	1.0
110.07114	1.3
110.97617	1.4
111.88936	1.0
112.08748	1.7
116.98589	1.2
120.08092	1.1
123.02672	1.5
123.04455	2.0
127.02119	1.5
127.03929	1.2
128.03508	1.8
128.98631	1.3
129.06593	4.0
129.10246	11.5
130.05009	4.6
133.06090	8.7
134.06029	1.2
136.07632	1.4
138.05510	1.3
138.09111	1.3
141.10228	3.2
142.08691	1.0
145.04935	1.1
145.06107	1.3
146.06015	4.6
147.04391	1.0
147.07649	2.4
148.06018	1.6
149.00444	1.2
150.03691	8.1
150.05522	2.2
151.02133	3.1
152.14226	1.2
153.00064	2.2
153.06587	2.8
155.01588	8.0
155.11810	2.4
157.13319	2.0
161.00587	5.4
162.05525	3.5
163.06299	4.5
167.01682	2.6
167.05602	2.0
177.06633	3.5
178.01656	2.3
178.03220	46.5
178.06897	1.8
179.01616	14.7
179.03963	4.5
181.06108	2.8
182.12692	1.1
183.11278	2.0
185.16496	3.4
187.10841	2.4
189.00058	14.7
196.04277	71.4
197.02502	1.1
199.07191	2.0
200.13977	11.2
201.08691	2.4
207.01132	3.7
211.04031	1.5
213.15977	3.6
215.10355	1.4
217.08159	2.8
219.09840	1.3
225.02081	2.0
228.13440	5.5
232.12848	1.1
234.10883	8.7
235.05360	3.0
237.02870	1.5
240.09612	1.1
246.14476	2.5
257.07602	1.2
262.05396	2.5
281.05905	100.0
282.04044	8.3
284.14758	1.1
299.06989	32.3
299.17084	1.7
353.08105	10.6
360.02847	4.4
397.17834	1.5
428.11188	6.7
446.17709	3.3
446.26416	7.0
447.15335	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	446.2612
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.35636	0.4
60.04529	2.5
65.81595	0.3
69.07071	7.4
71.02880	0.8
71.03236	0.6
72.08149	0.5
74.02424	1.4
86.09710	100.0
87.05598	5.6
87.10047	1.0
88.03967	0.5
99.16113	0.4
105.06629	0.6
116.03459	0.6
128.10733	2.3
130.03682	0.4
133.06094	17.4
138.09145	0.5
141.10518	0.4
155.11810	0.8
156.10042	0.4
160.04903	0.4
164.00824	0.4
173.12872	13.3
180.04587	0.5
183.11342	2.0
201.12347	8.7
229.11827	1.7
246.14513	14.9
246.17017	0.7
268.20258	0.5
296.19727	7.6
314.20862	0.9
333.17688	3.0
393.03235	0.4
429.23477	0.8
439.55145	0.4
446.26273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
57.07060	1.8
60.17771	0.5
67.05505	3.0
69.07076	3.4
70.73674	0.9
70.73994	0.7
71.08602	1.2
79.05459	0.7
81.07059	2.7
83.08601	2.3
84.08938	0.8
91.05478	0.7
93.07034	1.8
95.08580	2.1
97.10194	1.3
98.21559	0.6
101.25620	0.5
109.10159	4.9
112.01975	0.5
119.08579	2.7
120.08913	0.8
121.06504	9.4
121.10085	0.7
122.07304	1.3
135.08064	1.1
136.07867	1.0
136.08841	12.7
137.09607	11.9
139.07524	1.1
140.07887	0.6
145.10165	0.7
149.06039	0.7
149.09605	2.5
151.07553	0.9
152.08331	1.5
163.11189	0.9
164.08337	30.7
165.09116	100.0
166.09447	8.4
177.09088	2.8
178.09453	0.7
187.11154	1.1
189.09145	1.1
190.09875	1.2
191.10585	0.6
203.10701	1.2
204.11246	0.6
205.12236	8.8
206.12491	0.7
225.62914	0.5
367.99881	0.6
428.36487	23.8
429.36679	0.7
446.20697	1.4
446.37549	46.0
447.37738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
51.83136	0.8
51.93631	0.9
53.03940	2.0
55.01869	1.2
55.05518	11.8
57.07080	9.2
59.81291	0.8
60.71421	0.9
67.05504	2.9
69.07071	5.1
71.08629	5.9
71.26454	2.0
79.05486	2.7
81.07059	3.8
83.04984	35.2
83.08636	4.1
85.10188	3.7
91.05486	3.5
93.07043	9.6
95.04996	1.1
95.08610	3.9
97.10200	3.0
99.08101	2.4
99.38453	0.9
105.07037	1.4
107.08607	4.5
109.06541	1.8
109.10186	2.1
111.08102	5.2
111.11713	1.1
117.07047	1.6
119.08612	1.2
121.05673	1.7
121.06514	23.3
121.10155	2.6
123.08067	4.6
123.11636	0.9
125.02415	0.8
127.07551	10.2
135.08060	9.6
136.32974	0.9
137.05972	1.3
137.09634	5.9
139.07545	56.8
148.91121	0.9
149.02406	1.5
149.09605	2.7
151.07571	2.3
153.09102	7.5
159.11717	1.3
163.07555	9.6
163.11166	1.6
165.09138	3.1
167.10683	2.5
169.08621	1.6
177.09041	1.0
177.12830	1.2
180.07840	2.5
181.08598	15.2
181.12321	1.5
191.14287	1.4
195.13806	1.6
205.12172	1.0
209.11798	1.3
209.15381	1.2
210.87680	0.9
223.13272	1.7
237.14871	2.1
251.16525	1.5
273.77188	0.8
279.19437	1.0
293.21008	1.0
307.22516	1.5
321.24283	1.4
335.25937	1.0
405.37286	2.1
429.37289	1.8
447.38364	100.0
448.38663	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	447.3837
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03941	4.0
55.01870	3.2
55.05278	2.3
55.05516	36.6
57.07079	48.4
62.47831	2.0
67.05510	18.1
69.03442	2.3
69.07075	59.2
69.54311	14.9
71.04996	2.3
71.08634	39.6
79.05514	10.7
81.07060	26.6
83.01345	3.6
83.04976	4.3
83.08625	43.2
85.04887	2.2
85.10178	19.4
91.05471	11.2
93.07050	16.9
95.04981	4.8
95.08614	31.5
97.06517	3.2
97.10175	35.4
99.04514	2.7
99.11730	3.7
105.07043	17.4
107.08589	17.2
109.06536	20.6
109.10172	28.8
111.04440	9.8
111.08080	13.1
111.11744	18.9
117.07075	3.7
119.08595	13.6
121.06509	23.1
121.10136	13.4
123.08078	9.9
123.11682	6.4
124.05239	2.2
125.05995	3.7
125.13263	7.0
128.52359	2.3
131.08554	7.9
133.06491	4.2
133.10133	8.7
135.08070	17.8
135.11713	7.7
137.05983	92.9
137.09607	13.6
137.13249	3.7
138.06699	2.2
139.07550	100.0
143.08534	3.0
145.10141	13.2
147.08008	2.4
147.11664	4.3
149.09613	9.3
149.13269	4.4
151.07552	53.5
153.09102	6.6
156.49326	2.0
157.10130	4.9
159.11664	12.5
161.13301	4.9
163.07539	2.8
163.11226	5.3
163.14839	3.5
165.09114	46.1
167.10529	2.5
169.08553	5.8
173.09608	2.5
173.13228	7.9
175.11098	2.9
175.14874	4.1
177.09177	11.3
177.12772	4.3
179.10706	2.6
181.08598	2.7
187.11209	10.8
187.14789	5.0
189.12808	3.3
189.16402	2.9
191.10693	24.6
191.14293	4.1
201.12747	5.1
203.14313	5.1
205.12242	16.4
207.13824	2.5
215.14412	2.4
219.13799	13.6
221.15311	2.6
231.17435	2.6
233.15349	7.6
304.77823	2.1
360.41742	2.6
363.03052	2.3
383.36685	5.1
385.34753	4.2
401.37747	14.7
405.37180	8.0
411.36166	5.6
419.38776	17.9
429.37320	17.2
447.37982	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	447.3839
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03899	2.6
55.05279	3.4
55.05518	49.2
57.07083	88.9
67.05495	10.9
69.07073	99.4
69.66306	10.2
69.66721	6.1
71.08639	73.0
79.05494	5.8
81.07072	21.1
83.08625	78.9
85.10193	35.5
91.05466	4.4
93.07039	11.5
95.08592	9.2
97.10174	62.5
97.84319	2.6
99.11729	7.3
105.07039	6.4
107.08622	15.5
109.10165	13.5
111.08152	3.0
111.11726	50.3
119.08592	5.5
121.06508	4.9
121.10162	4.2
123.11694	4.3
125.09640	4.6
125.13240	22.2
133.10109	2.8
135.08049	18.0
135.11743	4.9
137.09644	9.7
139.07562	31.8
139.14819	6.8
145.10114	4.6
149.02356	5.2
149.09610	13.7
151.07593	19.1
153.09105	17.8
159.11795	4.3
161.13257	3.1
163.07578	4.5
163.11166	6.6
165.09134	76.3
167.07033	6.2
169.08646	10.1
172.15895	3.0
176.08450	3.8
177.09120	13.2
177.12921	2.4
179.07123	4.7
179.10721	6.6
181.08630	46.0
191.10628	12.5
205.12267	11.0
219.13797	3.3
219.17355	2.7
230.24840	4.1
231.08200	3.0
284.85248	2.5
328.60355	2.5
353.14075	2.5
401.37671	4.3
429.37195	34.0
447.38345	100.0
448.38489	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	447.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01855	0.9
55.05514	12.1
57.07084	8.4
67.05512	2.4
67.35326	0.6
69.07069	5.7
69.13218	0.5
69.13528	5.6
70.29499	0.4
71.08631	7.9
79.05476	2.4
81.07059	3.6
83.01331	1.1
83.04983	33.1
83.08606	3.6
85.02902	1.0
85.06588	0.5
85.10181	3.1
91.05464	3.2
93.07050	9.2
95.04983	1.0
95.08614	5.5
97.06554	1.2
97.10159	3.2
98.20766	0.9
99.08054	1.2
105.07049	1.7
107.08585	4.5
109.06548	2.6
109.10168	1.9
111.08082	4.8
111.11696	1.1
117.07018	1.2
119.08588	1.6
121.06506	22.5
121.10124	2.8
123.08081	2.8
123.11693	0.8
125.06019	1.7
125.09623	0.8
127.07563	7.7
131.08586	1.3
133.10127	0.9
135.08066	9.8
135.11703	1.8
137.09607	5.7
138.06792	0.7
139.07544	54.5
140.07898	0.7
145.10135	1.2
149.02333	0.6
149.09641	2.6
149.13239	1.0
151.07590	1.7
153.09088	5.8
159.11674	1.1
161.09683	0.6
163.07545	8.5
163.11102	2.3
165.09167	2.3
167.10698	1.8
169.08626	2.0
173.09712	0.6
175.11191	0.7
176.08282	0.6
177.09134	1.5
177.12810	1.6
179.10693	1.6
180.07802	0.7
181.08600	12.2
181.12213	1.3
187.14830	0.5
191.10764	0.7
191.14293	1.1
195.10147	1.0
195.13890	0.9
205.12259	0.9
209.11745	1.4
209.15390	0.9
219.13922	0.7
223.13245	1.1
237.14836	1.8
251.16446	1.9
265.18124	0.9
279.19345	1.1
293.21301	1.3
307.22549	1.0
307.86853	0.5
335.25684	1.0
377.30655	0.9
387.36392	0.8
391.31918	0.8
401.37680	0.9
405.37344	1.0
429.37332	3.2
447.38358	100.0
448.38672	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
57.03424	0.3
70.06593	1.1
70.92330	0.6
72.08142	0.4
77.03915	0.3
78.22202	0.3
79.05484	0.9
81.03422	0.4
84.08141	0.7
85.02905	0.5
86.09695	1.1
95.04961	0.7
107.04960	100.0
108.05299	1.2
120.08095	0.6
124.07609	0.4
129.10254	0.9
135.54709	0.3
136.07581	0.4
139.05821	0.4
152.07077	0.3
164.07216	0.3
225.43047	0.3
242.09488	0.3
271.05942	0.3
286.08337	0.3
286.14374	0.4
287.05573	2.4
287.09161	0.9
330.48669	0.3
332.08838	0.3
336.09781	0.4
374.62067	0.3
448.19965	0.3
449.14523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	0.5
57.03435	0.8
60.71094	0.4
61.02912	1.4
61.74422	0.3
68.99786	0.8
69.03427	3.4
70.02977	0.7
70.03392	0.9
72.42238	0.3
73.02903	0.7
81.03415	2.0
81.96865	0.4
85.02908	8.8
88.89883	0.3
91.03951	0.5
95.91970	0.3
97.02885	3.1
98.21502	0.4
99.04425	0.5
100.14898	0.4
105.03349	0.4
107.04925	0.4
109.02893	1.0
111.00790	1.3
121.02869	3.7
127.03894	1.7
133.02879	0.6
137.02319	1.3
140.93399	0.3
145.04962	1.5
147.04401	1.0
153.01848	5.4
157.06480	0.6
165.01852	2.2
183.02924	1.1
185.05885	0.8
189.05565	0.3
213.05516	1.7
231.06549	0.9
241.05061	0.9
258.05319	1.2
259.05933	0.4
269.04620	0.4
287.05505	100.0
288.05878	2.7
342.01306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
61.02943	0.1
65.03941	0.1
68.99796	0.8
69.03418	0.2
70.06567	0.1
71.47686	0.1
74.06014	0.1
79.05487	0.2
81.03429	0.2
84.04488	0.3
84.82987	0.1
85.02897	0.4
86.09693	0.2
92.11257	0.1
95.04981	0.1
97.02889	0.2
98.97586	0.1
103.05458	0.1
105.03400	0.5
107.04952	0.5
109.02872	0.3
111.00816	0.8
113.10806	0.1
117.06988	0.1
121.02872	3.0
123.04452	0.1
126.05518	0.2
127.03932	0.2
129.07069	0.1
133.02861	0.6
135.04410	0.2
137.02356	1.1
141.06975	0.1
145.06496	0.3
147.04396	0.8
153.01840	5.0
154.02145	0.1
157.06485	0.5
161.05966	0.2
165.01836	2.3
171.04466	0.3
179.61949	0.1
183.02907	1.1
185.05951	0.7
189.05432	0.1
197.06026	0.1
203.03654	0.1
203.07042	0.2
213.05461	1.8
217.05049	0.1
229.04941	0.1
231.06473	0.8
241.04951	1.2
243.06757	0.1
246.14415	0.1
258.05243	1.3
259.06183	0.5
269.04434	0.2
287.05502	100.0
288.05853	2.6
329.06561	0.1
449.10275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01855	1.8
55.05512	8.9
57.03431	13.2
65.03923	1.9
67.05506	30.8
68.44625	1.8
69.03417	5.6
69.07076	13.4
70.73664	2.2
70.73973	2.3
71.04970	5.0
79.05492	18.4
81.03412	4.6
81.07060	42.1
83.04960	3.1
83.08619	7.2
85.02895	6.7
85.06539	4.4
91.05473	10.0
93.07043	28.5
95.04935	3.2
95.08607	11.7
97.02888	5.3
97.06518	7.3
99.08045	1.8
103.05423	3.2
105.07028	5.1
107.04940	15.1
107.08588	21.4
109.06570	2.0
109.10156	3.7
111.08089	3.8
117.06952	4.5
119.08581	3.7
120.08086	1.8
121.02843	3.3
121.10168	10.8
123.11655	3.3
127.03874	3.0
131.04907	6.2
131.08553	6.0
133.10101	5.1
135.11702	4.8
137.05951	4.1
138.05498	2.3
145.10182	2.6
147.11693	2.2
149.13249	17.7
151.11198	2.2
152.07150	1.9
153.01810	4.0
155.92157	1.7
157.10136	2.8
159.11702	10.3
161.05794	1.7
164.30559	2.0
165.07033	2.9
167.74654	1.7
171.11716	2.3
173.13182	2.0
177.12737	5.1
178.66013	1.8
185.13249	1.7
191.49849	1.8
195.13831	10.1
213.05505	2.0
243.10051	2.0
269.17487	100.0
287.05521	79.9
287.08841	4.2
305.85547	1.8
405.13193	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	449.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
57.07066	2.9
67.05511	3.4
69.07079	5.1
69.59464	3.4
71.08629	1.8
73.05476	0.5
75.33723	0.5
76.70413	0.6
79.05483	1.1
81.07056	5.1
83.08607	2.9
85.06542	0.7
85.10191	1.1
91.00635	0.6
91.05473	2.3
93.07053	4.1
95.08607	6.0
97.10167	1.4
98.30714	0.6
105.07029	3.6
107.08587	3.6
109.10141	2.9
111.08070	1.9
111.11751	0.8
119.08601	2.7
121.06418	0.7
121.10123	3.3
123.08073	2.9
123.11710	2.1
131.08606	1.0
133.10146	3.5
135.11696	2.2
137.09598	3.3
139.25168	0.5
143.08485	0.6
145.10121	2.3
147.11702	2.1
149.09581	0.8
149.13274	0.9
151.11188	0.7
153.09128	3.6
157.10123	0.9
159.11719	2.0
161.13242	1.5
163.11263	0.7
163.14764	1.0
165.09097	3.7
175.11241	0.8
175.14940	0.9
185.13284	0.7
187.14830	1.3
189.12694	1.0
189.16440	0.9
201.16418	0.5
208.49146	0.6
221.15543	0.6
227.17911	0.7
232.08150	0.6
273.83987	0.6
287.05496	4.7
369.29773	1.3
413.37924	1.6
431.39044	6.4
449.33865	100.0
450.34012	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	449.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07746	0.7
55.05513	7.0
57.07079	9.8
67.05492	3.4
69.07071	12.8
71.08640	7.0
71.49244	1.3
79.05486	1.3
81.07057	6.5
82.02895	0.9
82.99035	0.7
83.08629	9.3
85.10175	2.5
90.15737	0.8
91.05467	1.6
93.07045	4.0
95.08618	6.5
97.10175	7.3
105.03393	6.4
105.07026	1.6
107.08580	3.3
109.10165	6.1
111.08067	1.8
111.11725	3.2
116.89672	1.0
119.08595	1.7
121.10160	2.6
121.24007	0.8
123.08096	1.2
123.11678	1.9
125.13291	1.1
129.06999	0.8
131.08542	1.7
133.02872	3.0
135.11703	1.6
139.07536	1.5
141.06932	1.2
143.08575	1.0
147.04445	1.5
147.11650	0.8
149.13272	2.4
153.06920	1.3
155.08534	1.8
157.01503	0.9
159.08046	2.9
163.14891	1.3
165.07031	1.4
165.09134	1.4
166.07828	1.1
169.10129	1.8
171.08066	6.0
173.05962	1.5
178.07845	1.1
179.08572	2.5
181.06514	1.4
182.07298	1.7
187.07550	47.7
196.08765	1.2
197.09618	2.4
199.07565	3.2
207.08067	1.7
208.08817	1.3
210.06775	3.7
211.07574	16.0
211.11165	2.2
224.08298	1.8
225.09105	100.0
226.09709	1.9
227.10741	1.2
238.09915	1.8
239.10616	4.9
249.12624	1.0
253.12233	1.2
267.13699	4.1
272.55637	0.9
287.05530	5.5
336.85092	0.9
393.27628	1.0
403.39410	1.5
431.38928	5.5
449.34143	36.8
449.39810	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	449.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01863	2.6
55.05520	22.0
57.07068	7.5
67.05505	32.0
69.07071	27.9
69.78878	14.9
71.04956	2.8
71.08620	6.4
72.27216	2.4
73.11559	2.5
74.09723	3.9
79.05489	27.4
81.07054	92.0
83.08625	12.4
84.72975	2.7
85.06550	15.4
85.10189	2.6
89.06026	6.0
91.05479	29.7
93.07047	57.1
95.04974	4.7
95.08612	76.6
97.06554	3.6
97.10168	7.3
105.07037	54.5
107.08603	54.1
109.06548	3.9
109.10169	38.7
111.08129	5.7
111.11720	2.7
117.07055	7.5
119.08598	48.2
119.66792	2.3
121.10149	41.7
123.08070	4.3
123.11734	17.5
129.06952	4.9
131.08588	20.9
133.10149	33.9
135.08018	2.5
135.11694	24.8
137.13261	6.1
143.08566	16.1
144.09322	3.6
145.10135	29.9
147.11694	27.0
149.13260	19.9
155.08571	6.4
157.10110	17.7
159.11702	34.0
161.13226	17.6
163.14836	7.3
169.10159	7.7
171.11673	11.9
173.13292	19.1
175.14874	13.1
177.16449	3.9
177.34462	2.5
179.08641	3.3
183.11737	10.6
185.13278	9.4
187.14835	13.6
189.16431	9.5
197.13278	7.0
199.14885	12.3
201.16415	13.0
203.18056	7.3
209.13263	4.5
211.14874	4.4
213.16399	10.2
215.18004	10.0
217.19583	4.6
225.16444	7.3
227.17929	8.5
229.19594	7.3
237.16319	3.7
239.18010	4.9
241.19489	5.8
243.21030	2.9
255.20967	3.0
269.22870	3.2
287.05515	26.3
293.22882	3.2
297.25388	3.2
311.24109	3.4
351.30740	3.4
427.85141	2.9
431.36621	18.3
449.37857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01871	4.2
55.05511	21.3
57.07064	10.0
67.05505	33.6
69.07066	27.2
71.04990	3.2
71.08625	3.2
71.26380	6.4
71.26765	2.6
79.05492	29.5
81.07060	95.3
83.08610	11.6
85.06554	21.7
89.06042	4.3
91.05486	32.1
93.06487	5.2
93.07047	66.8
94.64697	3.2
95.08608	83.4
97.06515	6.4
97.10188	8.8
105.07034	54.0
107.08606	57.8
109.06566	2.9
109.10159	42.6
111.08115	5.1
111.11742	3.7
117.07035	8.2
119.08581	59.5
121.10141	42.9
123.11724	21.2
125.09642	3.9
129.07042	4.2
131.08554	24.0
133.10136	35.3
134.39879	2.6
135.11694	22.5
137.13243	6.6
142.07762	2.7
143.08528	15.1
145.10133	31.2
147.11681	30.7
149.13260	22.3
151.11200	2.8
155.08591	6.7
157.10127	20.8
159.11693	40.9
161.13303	25.1
163.11143	3.5
163.14833	10.9
169.10115	5.5
170.10930	2.8
171.11745	19.2
173.13287	23.7
175.14902	13.5
177.16411	4.2
183.11728	9.0
185.13257	15.5
187.14812	14.6
189.16443	7.9
197.13344	7.4
199.14828	14.9
201.16415	11.9
203.17966	7.6
209.13380	4.9
211.14867	6.6
213.16441	9.5
215.17999	10.8
217.19485	5.8
223.14897	5.9
225.16409	6.0
227.17935	9.7
229.19551	3.3
239.17978	4.6
241.19595	3.8
243.21086	5.7
255.21150	4.1
269.22446	3.5
281.22482	5.6
287.02689	4.1
287.05591	25.0
311.23807	4.1
351.30646	5.7
357.24615	3.6
431.36707	24.5
449.37839	100.0
450.38531	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	449.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.7
55.05505	26.3
55.41825	4.8
57.07084	12.2
61.70697	4.7
61.93342	5.3
65.03932	7.6
66.08701	5.6
67.05500	42.3
69.07074	30.4
79.05487	30.2
81.07060	99.4
83.08614	17.0
85.06542	15.1
85.10175	5.7
86.09704	10.7
91.05485	41.3
93.07049	66.6
95.04973	10.0
95.08604	81.5
97.06524	12.5
97.10154	11.0
105.07030	52.9
107.08595	50.0
109.06509	8.0
109.10151	42.3
111.08079	8.9
117.06983	10.7
119.08597	55.7
121.10137	34.5
121.27416	4.9
123.11709	17.2
129.06950	5.8
131.08546	24.8
133.10141	28.8
135.11688	17.1
142.07753	5.8
143.08514	15.5
145.10126	31.7
147.11694	25.4
149.13301	21.2
153.01778	6.6
155.08464	5.8
157.10159	19.8
159.11719	39.3
161.13234	29.0
161.20540	5.7
163.14874	11.1
165.12828	5.0
169.10184	6.9
171.11694	18.3
173.13181	28.7
175.14845	16.5
177.16284	6.2
183.11662	6.6
185.13290	15.9
187.14819	19.8
189.16364	12.6
199.14850	11.0
200.22095	4.9
201.16447	12.4
213.16368	19.7
215.17926	11.7
227.17993	9.8
229.19403	6.6
253.19482	8.8
283.24237	7.7
287.05560	58.3
323.27692	6.7
431.36627	14.2
449.37982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3991
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
51.25483	1.1
53.03935	3.1
55.01867	2.8
55.05243	1.3
55.05513	24.5
57.06845	1.3
57.07082	17.2
57.96255	1.1
67.05502	11.7
69.07072	24.3
70.41115	1.4
70.61395	1.2
70.61735	3.0
71.08636	12.0
79.05487	5.2
81.07054	12.8
83.01322	1.5
83.04994	3.4
83.08623	21.9
85.10207	5.5
91.05489	5.9
93.07049	9.6
95.04955	4.0
95.08612	15.3
97.06534	1.4
97.10172	21.9
105.07051	4.8
107.08602	6.2
109.06524	4.5
109.10163	17.8
111.08085	10.9
111.11723	3.5
119.08575	21.4
119.32985	1.1
121.06490	4.1
121.10173	5.8
123.04424	10.8
123.08080	6.0
123.11724	7.6
125.09605	2.1
133.10136	5.1
135.08040	2.0
135.11705	7.1
137.06004	4.0
137.09628	20.7
137.13272	3.6
139.07539	35.9
139.11150	2.4
147.08054	6.0
147.11699	3.6
149.09662	1.9
149.13246	3.3
151.07532	2.7
151.11191	12.9
151.14870	1.5
153.09123	1.9
157.10188	1.3
161.09605	1.4
161.13284	4.1
163.14743	1.3
165.09129	8.6
165.12793	7.1
167.10693	2.7
175.14853	2.7
179.10646	3.1
179.14319	9.5
183.10194	2.2
189.16415	1.9
193.12263	1.3
193.15884	5.2
200.62534	1.2
207.13861	1.1
207.17497	5.1
287.05536	1.4
302.51511	1.2
333.31805	1.4
347.29337	7.2
403.39349	34.3
404.39902	1.3
413.37985	1.9
430.37521	1.2
431.38879	100.0
432.39084	2.3
449.39941	91.6
450.40359	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	449.3991
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
51.14054	1.2
53.03951	2.0
54.73946	1.2
55.05515	19.7
57.07080	15.7
62.26044	1.2
64.77425	1.1
65.74151	1.1
66.94049	1.0
67.05507	11.6
69.03426	1.6
69.07071	22.1
69.83920	5.2
71.08644	9.0
75.40125	1.2
79.05485	4.1
81.07057	15.3
83.01343	1.7
83.04980	3.0
83.08623	20.5
85.10189	6.2
91.05474	6.7
93.07054	8.3
95.04946	2.2
95.08620	14.3
97.06574	1.6
97.10179	19.7
105.07040	4.6
107.08616	6.6
109.06499	2.8
109.10153	15.2
111.08076	12.4
111.11727	6.5
116.01477	1.1
119.08590	17.7
121.06505	5.1
121.10115	6.4
123.04440	8.5
123.08071	5.6
123.11694	9.0
125.05997	1.7
125.09601	1.6
133.10115	4.8
135.11668	6.5
137.06035	2.1
137.09610	19.3
137.13234	3.0
139.07547	32.8
139.11185	1.9
141.55988	1.3
147.08115	2.4
147.11702	3.2
149.09712	1.6
149.13213	2.6
151.07559	1.7
151.11179	11.9
161.13280	2.8
163.14839	2.0
165.09148	12.4
165.12761	7.8
167.10680	3.0
175.05833	1.2
175.14836	3.9
177.09663	1.4
179.10713	1.6
179.14339	7.4
183.10162	2.6
189.16351	2.3
193.15884	4.7
207.13878	2.1
207.17462	3.1
221.18878	1.8
225.09036	1.4
230.24213	1.2
249.22348	1.2
277.25351	1.9
293.31961	1.5
347.29446	4.4
403.39337	33.1
403.44427	2.3
431.38882	90.4
432.39139	2.4
449.39932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51478	1.2
55.01865	1.5
55.05493	1.2
59.06981	1.1
65.03941	1.5
67.05499	4.0
67.54999	1.2
69.03426	1.6
69.07049	2.1
70.06593	3.0
71.12795	1.3
71.47926	1.5
79.05484	3.1
81.07043	4.3
82.07365	1.4
83.08619	1.8
84.04508	1.1
85.02897	2.0
87.57066	1.1
89.76574	1.2
91.05475	3.0
93.07020	2.6
94.07416	1.4
95.04985	1.3
95.08604	3.7
95.57500	1.2
97.06567	1.5
97.65102	1.1
103.05471	1.6
105.07034	5.4
107.04961	8.4
107.08601	2.1
109.02870	1.2
109.10163	2.4
110.10450	1.1
121.06525	1.3
123.04459	1.8
123.11700	1.6
125.05962	1.5
126.29018	1.2
131.04936	4.0
133.06497	3.1
133.10132	1.3
135.04454	1.4
135.80785	1.2
137.05954	3.8
148.24843	1.1
153.05463	5.1
161.06009	3.5
167.07074	22.6
167.08464	2.4
177.05573	2.4
181.04958	14.5
181.06503	3.6
183.08144	1.3
191.07117	1.8
192.07738	1.8
193.08565	5.9
195.08017	3.4
196.05203	1.7
197.06018	2.0
205.06548	1.5
207.08061	1.8
210.06738	6.1
211.07568	3.8
219.08025	1.3
221.05977	3.1
222.06853	7.9
223.07510	2.0
225.05463	4.9
225.09142	4.9
234.06795	2.8
235.07504	3.8
237.09122	33.6
239.10834	1.5
240.07857	5.5
241.08536	2.5
242.09380	2.4
247.07538	1.9
250.06194	3.4
251.07060	2.9
253.08562	7.7
255.10287	2.0
263.07089	1.7
265.08606	18.2
268.11081	2.1
277.08517	2.4
278.09399	2.2
279.10190	1.4
287.05426	2.8
288.05923	9.7
297.09021	3.2
298.09790	1.6
299.10553	1.7
313.08615	2.6
314.09253	3.4
315.10120	1.8
325.08618	2.3
326.09500	1.7
327.10172	3.4
328.11111	1.6
329.11725	1.6
330.12848	1.4
337.08777	2.3
339.10199	3.0
341.07944	1.9
341.11703	1.7
343.09622	5.0
345.11154	3.2
353.11945	1.6
355.09491	1.7
356.10458	2.1
357.11176	4.6
358.11761	2.9
369.11172	4.8
370.12036	3.0
371.08911	2.7
371.13174	2.1
373.10660	2.4
385.10675	4.9
386.11505	12.7
387.12372	1.8
388.13046	5.9
391.15341	5.0
399.12280	4.8
400.12885	1.8
401.13879	51.1
404.12628	1.9
417.13300	11.4
419.14908	18.6
420.15659	12.3
431.14877	5.1
431.52094	1.4
432.15686	100.0
433.16046	4.0
450.16904	20.5
469.04446	1.3
471.64462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01865	1.4
55.05512	7.4
67.05491	4.8
69.03425	3.0
69.07056	3.4
70.06577	2.3
71.04993	1.6
71.48058	1.2
79.05505	5.5
81.03411	2.5
81.07055	5.8
82.07362	1.5
83.08617	3.9
85.02891	3.0
86.09665	1.1
86.99541	1.0
91.05482	5.4
93.07049	2.8
95.04967	2.7
95.08597	4.5
97.02906	1.1
97.10152	6.3
103.05452	1.4
105.07021	4.6
106.07336	1.7
107.04955	18.6
107.08590	3.6
109.06546	1.6
109.10143	3.0
111.04453	1.6
111.08082	1.6
117.07023	1.7
119.08630	1.8
119.60976	1.2
120.08961	1.4
122.10473	1.3
123.04395	1.3
125.09621	3.7
131.04959	1.8
133.10033	1.3
135.08038	1.5
137.05956	4.6
143.08441	1.4
147.04410	2.8
147.11636	1.4
151.03900	2.5
153.05435	1.4
167.07092	6.5
169.06421	1.3
169.10199	1.3
171.11609	1.2
174.74608	1.1
187.07536	1.5
189.11237	4.8
194.07922	1.0
198.06775	1.1
199.07512	2.6
210.06718	1.7
223.07671	1.8
224.08429	1.3
225.05490	14.4
225.09048	4.6
226.09796	1.5
227.06880	1.1
227.12781	6.6
237.09087	1.7
239.10649	1.7
241.08591	2.1
242.09407	3.0
245.13899	6.0
251.07115	1.2
255.10120	1.5
266.09225	1.4
267.10278	1.6
268.11005	9.1
275.10526	1.6
281.09634	1.4
285.09006	2.0
286.09579	1.9
287.05429	5.3
288.05804	11.3
297.09195	3.0
298.09720	1.8
299.10660	1.7
300.11401	1.2
301.08624	1.3
303.10110	2.1
311.10614	3.3
313.08496	4.2
314.09277	4.2
315.10126	4.0
325.08508	2.9
326.09238	2.6
327.10019	2.3
328.10831	2.8
329.08124	1.7
329.11548	6.3
331.09570	2.3
339.10172	2.1
341.11691	1.7
342.08624	1.6
343.09692	10.7
343.13226	2.1
344.10345	1.6
345.11230	4.4
346.11874	2.3
354.08817	1.6
355.09518	1.4
356.10342	3.0
357.11200	9.1
358.11752	3.6
358.24658	1.6
359.08786	1.5
369.11179	2.7
370.08167	1.8
371.08813	2.6
371.12762	9.5
372.13483	1.7
373.10788	2.0
374.11441	3.8
377.13757	3.2
385.10809	9.1
386.11487	26.5
387.12225	1.6
389.13828	2.8
391.15375	2.5
397.22452	1.8
399.12219	1.4
400.13010	7.4
401.13843	55.5
402.10385	2.8
402.14899	1.5
405.13266	2.2
415.23367	2.1
417.13315	19.2
419.14960	3.5
420.15659	29.6
431.14645	2.0
432.15704	100.0
433.15939	3.4
450.16745	13.9
450.29218	3.1
451.15186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78232	0.3
53.03944	1.3
57.37483	0.3
64.55234	0.3
67.05504	0.4
70.06591	0.5
71.48729	0.4
79.05507	1.6
81.03416	0.5
81.07073	0.7
85.02905	0.9
91.05495	0.6
93.07036	0.5
95.04971	1.0
95.08601	0.6
97.02929	0.3
97.06525	0.3
105.04517	0.6
105.07040	0.4
107.04958	100.0
108.05296	1.6
109.10189	0.4
113.05930	0.3
119.04880	0.4
122.86119	0.3
133.10120	0.3
136.07599	0.5
136.61763	0.3
137.06041	0.4
147.04416	0.5
181.38538	0.3
198.74373	0.3
242.24863	0.4
287.05496	2.0
288.05817	4.1
288.25394	0.5
311.99835	0.3
450.17041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01865	6.8
55.05506	4.0
57.03432	2.9
61.02903	3.8
67.05516	4.1
69.03437	23.4
69.07058	8.9
70.11477	4.4
70.11870	4.8
71.04981	7.5
72.08140	6.4
73.02913	5.3
79.05491	6.8
81.03421	22.5
81.07062	13.8
81.76529	2.0
82.65534	2.4
84.08136	2.6
85.02911	65.8
85.11504	1.9
87.00837	29.4
91.03983	2.7
91.05486	5.7
93.07063	21.0
95.05000	4.3
95.08602	7.3
97.02890	36.8
99.04481	11.4
105.01879	29.6
105.07000	4.4
107.04945	15.3
107.08593	26.4
108.05277	2.9
109.02888	21.2
109.06561	3.3
109.10183	3.3
114.09180	2.6
119.08567	2.4
120.08121	2.7
120.22488	2.1
121.10157	27.4
123.11705	7.8
125.02361	2.4
127.03922	44.8
129.01859	2.6
130.06517	4.5
137.05975	3.5
142.08669	3.3
143.08815	2.1
145.04959	26.4
147.02864	2.2
147.11710	3.1
149.13268	100.0
157.07539	3.8
159.02885	9.5
164.07068	2.3
165.12746	9.3
167.14349	18.1
175.08644	4.8
231.04994	10.4
284.59180	2.5
287.05460	13.0
288.05820	24.6
291.11786	3.9
450.16479	2.4
450.29440	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	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91770	1.9
62.03335	1.1
69.50905	7.1
73.81547	1.3
85.02920	1.6
87.47273	1.2
109.38879	1.3
127.03918	4.4
133.00369	1.3
146.67731	1.5
202.76704	1.2
256.36636	1.2
371.36841	1.3
409.98599	1.3
451.04901	100.0
451.11334	4.2
452.05463	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	451.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33502	0.3
52.79775	0.3
53.03951	0.6
55.01867	0.6
57.03432	0.7
61.02919	0.7
69.03435	2.1
70.06600	0.3
71.00083	0.6
77.28217	0.3
78.14083	0.3
81.03412	1.0
85.02908	8.5
88.32513	0.3
91.03966	0.4
97.02899	2.4
109.02872	1.6
127.03918	100.0
128.04262	0.8
145.04955	1.9
151.07530	0.4
153.01909	0.3
287.05493	1.3
288.05872	1.1
289.06042	2.4
337.59906	0.3
344.62201	0.3
439.13846	0.3
451.22806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01872	8.1
55.05501	7.6
57.03434	8.2
61.02925	13.6
65.03944	3.9
67.05502	7.4
69.03429	39.5
69.07065	11.7
70.06589	15.5
70.46288	9.6
70.46653	3.7
71.01349	2.9
71.04983	3.3
72.08154	6.3
73.02918	5.8
79.05489	11.3
81.03436	21.0
81.07056	11.4
83.04973	11.7
84.08157	4.6
85.02907	57.8
85.06554	7.2
86.09707	19.6
87.04468	6.8
91.03943	3.8
91.05479	10.2
93.07052	6.9
95.04966	35.5
95.08597	7.1
97.02892	31.5
97.06507	6.2
99.04500	4.6
105.07053	17.5
107.04965	16.7
107.08578	14.7
108.08135	4.9
109.02876	10.6
109.06510	14.3
109.10159	8.6
111.04440	12.7
111.08138	3.3
119.08598	19.4
120.08122	18.5
121.06503	14.4
121.10152	23.0
123.08042	4.1
124.07623	4.9
125.06010	11.2
127.03917	14.1
129.06989	6.8
131.08560	16.6
133.10117	12.4
136.07564	7.5
137.05975	17.5
137.09615	8.3
139.07567	6.2
141.05505	5.4
141.06924	3.1
142.07790	5.0
143.08583	11.5
145.04985	10.4
145.06471	4.4
145.10135	11.4
147.08060	7.2
147.11700	7.9
149.05965	3.1
149.09676	7.1
151.11171	8.4
154.07826	4.8
155.08592	6.1
156.09334	5.2
157.10135	27.9
159.08070	7.4
159.11722	10.1
161.09601	3.9
164.07091	8.3
167.08580	6.2
169.10149	19.3
169.12221	5.8
171.08046	5.3
171.11754	10.3
173.09608	9.9
173.13237	14.1
175.11211	5.3
181.10159	9.8
183.11722	9.6
185.09546	19.8
185.13087	3.9
187.11171	24.0
193.10196	4.6
195.11732	5.0
197.09641	10.4
197.13316	3.8
199.11166	5.4
201.12723	7.8
208.14264	6.5
211.11192	8.4
211.14812	6.3
213.16444	5.7
215.10741	14.6
223.14865	10.7
225.12689	4.4
225.16502	5.3
231.13834	4.6
240.15172	8.3
241.15878	55.7
253.15948	11.5
254.14650	20.4
259.16919	5.9
271.16940	100.0
287.05301	3.2
289.06497	11.5
289.15259	6.1
289.18082	17.2
354.59067	3.6
433.22098	5.9
451.23956	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35473	2.6
53.03941	7.1
53.09706	2.2
55.01860	7.7
55.05502	9.1
57.03429	8.7
60.02087	2.4
60.02452	2.0
61.02927	14.3
67.05495	8.9
69.03438	40.4
69.07079	13.2
70.06581	10.0
71.04978	5.2
71.48429	4.3
72.08138	10.5
73.02914	5.9
74.17522	2.3
79.05479	12.0
80.15592	2.2
81.03421	22.1
81.07042	10.8
83.01326	2.6
83.04958	10.1
83.08641	2.6
84.08138	4.4
85.02908	68.1
85.06539	5.3
86.09711	38.5
87.04469	5.3
91.05480	11.9
93.07030	12.2
95.04388	3.0
95.04971	38.9
95.08580	7.4
97.02896	36.8
97.06519	4.4
99.04427	5.7
105.07010	17.0
107.04955	29.8
107.08582	8.4
109.02875	6.6
109.06523	16.2
109.10174	11.5
111.04465	14.2
113.06000	3.5
115.05462	2.9
117.07024	7.0
119.08578	20.8
120.08093	22.6
121.06502	14.1
121.10162	18.0
123.04441	4.6
124.78217	2.5
125.05982	9.1
127.03902	8.7
129.06989	3.6
130.06512	3.1
131.08533	14.0
133.06557	2.7
133.10133	13.5
135.04446	2.9
135.08032	7.6
135.11700	3.3
136.07602	5.3
137.05991	35.0
137.09613	8.0
139.07547	4.7
141.07040	3.8
142.07736	5.4
143.08566	8.5
144.09343	2.7
145.04932	7.8
145.10153	12.9
147.08026	3.3
147.11693	8.3
149.05963	3.8
149.09586	2.7
151.07497	3.0
151.11163	6.5
153.01755	3.0
154.07742	4.3
155.08571	6.5
156.09332	3.8
157.10147	21.3
158.10922	3.5
159.08133	5.9
159.11690	8.1
165.07024	3.0
166.08630	2.8
167.08612	3.3
169.10120	16.4
171.11656	10.0
173.09596	8.9
173.13239	19.5
181.10144	10.0
183.06358	4.8
183.11697	10.3
185.09657	17.1
185.13228	7.0
186.10431	2.9
187.11217	25.1
187.14806	3.1
189.12402	7.4
193.10173	4.0
195.11760	3.5
197.09576	10.6
197.13295	7.6
198.10475	2.5
199.11113	7.4
201.12650	6.0
203.10675	3.0
211.11195	10.0
211.14870	8.7
213.12744	3.0
213.16353	7.1
215.10596	16.1
223.10889	3.8
223.14867	6.6
225.12859	4.7
225.16370	8.0
227.14417	3.0
229.04955	10.9
229.12248	3.9
229.15607	3.6
231.13756	7.4
235.10765	11.2
235.14743	3.0
240.15063	9.4
241.15881	62.5
253.15897	13.6
257.08185	3.2
259.17014	4.0
259.87308	2.9
263.10211	7.5
271.09824	7.4
271.14050	5.2
271.16925	100.0
272.17346	3.7
273.18491	2.9
287.05530	7.1
288.05933	7.7
289.06192	18.0
289.11349	3.1
289.18027	19.1
337.21393	2.8
451.15778	7.4
451.23181	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
57.03424	0.5
57.05812	0.9
69.03423	0.7
69.07084	0.5
70.06603	1.1
71.40292	0.7
72.08157	49.6
73.02910	0.6
79.05508	0.6
81.03410	0.4
81.07040	1.0
84.08167	3.2
85.02904	1.3
86.09715	0.8
91.05498	1.4
92.12955	0.4
93.07030	1.3
95.04994	0.6
95.08630	0.5
98.09721	0.7
103.05469	2.7
105.07017	0.9
107.04958	5.2
109.02895	0.7
109.06606	0.5
109.10175	0.6
117.07056	0.4
118.06557	3.3
119.04984	0.5
120.08106	100.0
121.02866	0.5
121.08404	0.8
123.04488	0.5
127.03896	0.5
130.06528	1.1
131.04865	0.6
132.08112	2.3
133.10164	0.5
137.05968	2.2
142.06558	0.6
143.08527	1.0
144.08072	2.9
146.04837	0.8
146.06012	15.5
147.04405	1.1
149.06012	0.7
153.01837	0.9
159.09180	7.4
161.06020	0.8
164.07066	0.7
167.07085	0.9
169.01347	1.3
170.06035	1.3
188.07072	36.8
189.09041	0.6
205.09743	19.5
206.10184	0.5
219.14935	37.4
220.15387	0.8
247.14445	13.8
247.16966	0.8
271.10690	0.4
271.16888	0.7
287.05579	1.4
288.05927	1.4
289.06079	4.8
289.15466	0.5
304.16418	0.9
318.06818	0.6
319.07159	1.9
345.13135	1.7
352.16559	6.3
383.87204	0.5
405.09714	1.0
451.10046	1.2
451.15875	1.5
451.24710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.5
55.05519	14.6
56.18892	1.4
57.03439	1.5
57.07066	3.1
65.03960	1.6
67.05511	17.9
69.07075	13.9
71.05003	2.8
71.91429	1.2
73.48624	1.4
79.05498	13.5
81.07064	20.7
83.04954	1.6
83.08623	6.8
85.06535	1.7
89.06017	3.8
91.05497	9.7
93.07046	12.2
95.08611	20.8
97.06559	2.4
97.10161	5.2
98.20792	3.2
103.38098	1.2
105.07045	7.1
107.04960	1.4
107.08590	8.4
109.10158	11.3
111.11623	1.6
111.45453	1.3
115.05466	6.7
117.07037	8.7
119.08570	6.5
121.10148	7.8
123.11708	3.9
128.06258	4.0
129.07016	5.1
131.08592	3.7
133.08577	2.4
133.10139	3.9
135.11684	3.3
137.13231	1.7
141.07031	7.6
142.07779	2.5
143.08577	6.0
144.05711	24.3
145.06482	22.8
145.10147	5.8
147.08089	1.6
147.11664	4.6
149.13292	3.1
152.06242	2.8
153.07001	7.2
154.07704	2.0
154.73334	1.4
155.08595	9.9
157.06551	8.3
157.10129	1.9
158.07076	1.6
159.08035	3.3
159.11726	3.0
161.13231	1.8
165.07013	8.7
166.07848	1.7
167.08578	6.9
168.05705	2.0
169.06450	11.4
169.10124	5.2
170.07245	2.2
171.08099	9.8
171.11798	1.8
173.05988	100.0
173.13275	2.6
174.06317	1.8
178.07895	1.6
179.08560	5.2
181.06477	9.3
181.10132	4.4
182.07262	7.7
183.08054	17.2
184.08813	1.8
185.09595	5.4
185.13297	1.8
187.07574	8.3
191.17963	1.5
193.06500	1.7
193.10172	1.5
194.07289	3.5
195.08093	13.8
195.11678	2.0
196.08821	2.9
197.05978	2.9
197.09680	9.2
198.06783	3.9
199.07539	22.7
199.11247	2.9
201.09077	1.6
201.16429	1.5
205.10165	1.5
207.08063	5.7
207.11697	1.6
208.08783	2.1
209.09601	5.8
209.13142	1.6
210.06801	3.0
211.07567	28.0
211.11055	2.9
211.14665	1.6
212.08318	4.5
213.09120	5.4
213.12547	1.3
221.09563	3.0
223.07541	30.1
223.11201	3.5
223.14830	1.5
224.08237	2.6
225.09079	16.1
225.12688	3.2
227.10692	10.9
235.11145	2.7
235.20461	1.4
237.09129	7.2
237.12784	1.5
239.10638	12.3
239.14362	2.1
241.12212	7.6
251.10715	5.2
251.14326	1.9
253.12323	13.6
255.13924	2.3
256.66461	1.4
265.12265	5.0
267.13809	13.0
279.13821	3.9
281.15369	6.0
291.22894	1.6
293.15335	5.5
293.18555	1.4
295.16953	3.6
307.16980	2.3
309.18665	2.0
321.18500	1.7
323.16568	3.5
335.19867	2.9
337.17996	1.5
349.17969	3.2
351.19379	2.3
353.17142	1.5
363.19382	5.4
367.19150	1.7
377.21118	1.5
381.20712	1.8
387.26813	2.2
389.24905	2.2
391.22128	1.7
405.27908	5.6
407.25992	1.7
415.26160	7.2
433.27399	55.2
434.27972	2.2
451.28012	22.1
452.28925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3418
Annotation	Helogenin
Peak:m/z	Relative Intensity
55.01882	3.5
55.05514	34.8
57.03433	3.1
57.07071	11.8
59.04992	6.3
67.05506	39.2
69.03404	7.5
69.07072	100.0
70.63802	9.4
71.82375	3.7
78.00220	2.8
79.05499	24.3
81.03413	4.2
81.06596	5.8
81.07056	88.4
83.04977	17.9
83.08614	14.2
85.02897	7.7
85.06522	7.3
91.05486	28.8
93.07051	56.4
93.62489	3.8
95.04939	8.2
95.08614	62.1
97.06532	10.9
97.10178	8.0
99.08096	8.2
104.30119	3.1
105.07030	43.3
107.04954	12.3
107.08601	45.7
109.02844	3.6
109.06511	16.2
109.10165	42.7
109.54124	3.5
111.08104	10.1
111.11712	13.0
117.07002	7.8
119.08580	35.3
121.06509	9.5
121.10159	52.5
123.08073	40.5
123.11703	29.6
125.09657	5.6
127.03902	5.5
127.11213	8.4
128.83937	3.1
129.06987	4.3
130.07886	4.2
131.04912	4.5
131.08583	13.3
133.06494	3.9
133.10144	31.8
135.08058	29.3
135.11681	23.9
137.05983	17.6
137.09604	8.9
137.13181	8.1
139.07503	4.5
139.11171	8.2
142.07788	7.4
143.08585	15.4
144.09323	4.5
145.10130	22.6
147.08047	4.2
147.11673	23.2
149.09627	15.3
149.13248	12.1
151.11198	10.1
156.09386	4.6
157.10124	34.5
157.45616	4.0
159.08086	5.4
159.11681	20.3
161.09615	13.3
161.13271	15.4
163.07434	3.8
163.11244	17.0
163.14748	5.4
165.12737	8.2
169.10074	5.6
171.11671	25.5
173.09529	6.1
173.13268	19.0
175.11183	18.3
175.14806	6.2
177.12779	13.3
181.04948	6.4
183.11691	4.7
185.09657	5.1
185.13240	11.2
187.11150	7.2
187.14769	7.0
189.12733	20.1
189.16388	5.0
191.14307	9.9
192.57327	3.3
197.13425	4.4
203.10719	7.2
203.18091	4.3
209.13246	4.1
211.14900	5.4
213.16434	7.2
221.09644	3.5
225.16333	4.9
227.17911	10.4
231.17490	9.6
239.17908	4.1
241.19490	5.0
243.17479	4.1
245.18912	16.1
255.17456	11.0
257.18997	5.1
259.20535	9.9
273.18430	13.0
275.19955	5.3
287.20117	8.1
287.23462	3.9
317.24722	8.0
379.29956	9.1
397.30957	23.3
415.32205	51.3
433.33261	47.1
451.35120	7.2
459.41583	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	451.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.4
55.05503	19.2
57.07080	5.5
58.40359	4.7
64.31307	4.6
67.05502	37.8
69.07063	15.7
71.49638	6.3
79.05486	24.4
81.07059	77.7
83.08631	8.5
85.06524	21.7
87.55774	4.7
89.06013	9.4
91.05471	27.4
93.07030	50.7
95.04964	5.9
95.08601	78.3
97.10185	11.6
105.07012	39.5
107.08597	54.2
109.10157	41.0
111.08097	7.6
117.06975	5.4
117.36523	4.9
119.08613	38.1
121.10122	40.5
123.11701	19.5
131.08589	11.5
133.10144	26.5
134.03227	4.5
135.11696	24.8
137.13208	10.3
145.10112	21.1
147.11697	24.3
149.13261	29.9
157.10075	10.1
159.11687	31.3
161.13225	21.6
163.14807	14.4
171.11661	7.1
173.13225	18.1
175.14882	13.7
185.13289	6.7
187.07426	6.4
187.14766	10.3
189.16454	11.1
191.72939	4.8
201.16403	8.4
203.17987	8.4
213.16452	10.9
215.18036	11.1
217.19467	13.7
229.19543	8.3
355.29611	5.3
433.38211	13.8
451.39587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68750	2.8
55.05505	10.5
56.75735	3.1
57.07082	7.4
66.39892	2.5
67.05505	25.0
69.07073	20.5
71.08649	3.7
71.48766	4.8
79.05493	16.4
79.12413	3.2
81.07059	53.6
81.09267	2.7
83.08620	14.0
89.06042	9.4
91.05478	11.9
93.07046	39.3
95.08612	96.3
97.06561	3.6
97.10177	4.4
105.07024	24.1
107.08603	57.1
109.10162	61.7
111.08085	4.6
117.07079	4.2
119.08600	30.8
121.10148	50.4
123.11716	37.4
125.09651	12.0
131.08551	6.3
133.10124	22.8
135.11696	51.6
137.13254	14.8
140.67732	3.3
145.10129	12.4
147.11684	19.5
149.13228	17.5
151.11188	8.1
157.10152	4.2
159.11674	18.3
161.13289	10.5
163.14803	11.7
168.64464	3.1
173.13261	12.2
175.14810	7.7
177.16472	4.1
187.14839	12.0
189.16379	13.0
191.17960	100.0
201.16396	6.1
203.17877	19.3
205.19534	3.9
215.17957	4.2
217.19484	15.7
229.19508	8.6
243.21120	13.0
257.22543	3.7
286.03601	3.4
321.59540	3.2
451.39429	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	451.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05514	25.0
57.07058	8.2
67.05507	43.2
69.07070	28.3
69.11119	2.1
69.48360	13.5
69.48780	3.7
71.08622	5.3
74.60784	2.1
79.05495	22.7
79.23283	2.0
81.06598	4.4
81.07059	68.2
83.08626	18.1
89.06004	4.8
91.05494	18.1
93.07047	48.5
95.04988	4.6
95.08611	100.0
97.06520	6.5
97.10162	6.1
105.07044	34.9
107.04922	2.9
107.08598	58.0
109.06506	5.0
109.10159	66.6
111.08059	5.8
111.11688	2.7
117.07022	4.6
119.07795	3.8
119.08580	32.7
121.10146	48.2
123.08073	37.3
123.11697	35.7
125.09637	5.8
131.08562	11.9
133.08565	3.9
133.10121	25.2
135.11687	40.3
137.09631	3.1
137.13254	18.9
140.92831	2.1
142.07773	3.8
143.08548	8.2
145.10141	16.1
147.11711	21.4
149.09711	3.0
149.13255	23.6
151.11194	6.6
151.14755	3.5
156.09413	3.1
157.10114	8.0
159.11703	16.9
161.13293	14.9
163.14816	12.3
165.09343	2.4
171.11691	12.1
173.13208	11.4
175.14839	8.0
177.16359	5.0
183.11726	3.5
185.13264	8.1
187.14815	9.8
189.12749	3.2
189.16370	10.1
191.17950	38.9
193.19577	3.2
193.21373	2.2
197.13257	2.8
199.14856	5.4
201.16431	5.9
203.17900	10.1
205.19507	11.4
213.16397	4.5
215.17966	6.5
217.19525	8.1
219.21043	4.5
225.16324	2.4
227.17938	12.8
229.19531	4.2
230.65361	2.5
233.15448	2.6
241.19518	7.7
243.21107	6.5
367.80341	2.5
433.38498	17.0
451.39728	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84636	1.3
66.98059	1.3
68.16808	1.5
70.06587	5.6
71.48370	1.8
79.05482	1.8
85.02889	1.9
86.09687	3.8
93.07017	1.4
95.08604	6.4
107.04961	100.0
108.05265	1.4
110.09665	4.0
120.08082	3.4
121.06516	2.4
123.08150	1.5
124.00652	1.4
124.07587	9.4
138.09148	24.4
148.30579	1.6
158.84311	1.5
166.08649	57.7
180.87494	1.2
184.09700	92.4
205.17867	1.4
289.07053	1.6
290.07294	3.9
290.13882	15.3
336.66425	1.6
347.27420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05498	2.1
59.04989	0.6
63.38990	0.5
67.05497	0.7
69.03414	1.3
69.07055	0.9
69.51987	1.5
69.52393	1.7
70.06577	0.6
70.62154	0.6
72.47013	0.5
79.05482	1.3
81.03384	1.4
81.07055	1.6
83.08601	0.7
84.08144	0.5
85.02898	1.5
85.06529	0.6
86.09715	0.7
91.05480	1.7
93.07062	1.3
95.08601	1.1
99.04463	0.8
100.11275	3.5
105.07029	1.3
107.04950	5.1
109.06547	0.5
109.10155	0.6
111.04408	1.1
119.04932	0.6
119.08584	1.4
121.06496	0.6
121.10160	0.6
123.11743	0.6
128.07027	0.6
131.04895	1.3
133.06485	1.4
133.10098	0.6
133.21204	0.5
135.11664	0.7
137.05939	1.1
141.06978	0.6
143.08492	0.9
145.10143	1.4
147.04442	5.0
149.09615	0.7
151.03900	1.1
153.06969	2.2
155.08528	2.5
156.13797	0.7
157.06516	6.6
157.10129	1.1
165.06978	3.2
171.08060	5.4
179.08482	0.6
181.06480	3.7
182.15396	1.8
183.08047	9.6
183.09523	0.9
184.08939	0.8
184.13420	0.6
185.05977	6.4
185.09572	2.4
187.07599	0.6
187.11125	0.7
189.16435	0.6
198.06738	0.7
199.07539	10.6
200.08310	1.6
203.10645	1.0
209.05994	0.5
210.14925	2.9
211.07555	0.9
213.09140	3.8
214.09827	0.8
215.10677	100.0
216.11038	2.0
217.08659	3.5
227.07008	0.9
231.10172	2.4
241.08524	3.4
259.09671	49.2
260.10007	1.3
291.12271	24.5
329.06424	0.8
329.12152	0.6
331.06348	0.9
347.12415	0.8
379.86551	0.6
410.30200	0.7
453.11447	0.8
453.17075	1.9
453.34274	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03924	3.3
55.05509	21.8
57.07046	11.2
67.05503	29.3
69.03403	10.9
69.07066	20.8
70.08126	10.9
71.04976	3.0
71.08611	4.1
73.05569	2.5
73.06525	2.3
73.41654	2.6
79.05463	13.5
79.60696	2.5
81.07059	35.0
83.04979	25.9
83.08611	17.4
85.06512	4.4
91.05486	14.1
93.06508	2.5
93.07040	33.4
95.04936	7.7
95.08608	67.2
97.06480	8.3
97.10135	4.1
99.08051	7.2
100.11224	6.4
105.07034	29.2
107.08598	32.1
109.06461	7.2
109.10174	30.6
111.08035	8.1
113.09666	2.9
113.63509	3.0
117.06977	8.2
119.08582	34.7
121.06449	2.7
121.10155	30.3
123.08071	15.3
123.11716	20.6
125.09631	5.4
129.07010	5.2
131.08566	15.6
133.10136	28.1
135.08009	5.3
135.11665	14.9
137.09566	7.9
137.13246	6.8
139.11133	4.7
141.09079	6.5
143.08502	11.7
145.10118	22.6
147.11702	19.6
149.09560	4.2
149.13190	10.1
151.11139	5.6
151.28664	2.8
155.08456	5.8
157.10057	14.4
158.10782	3.2
159.10506	3.6
159.11685	29.8
161.09575	3.4
161.13312	15.3
163.11124	3.8
163.14742	5.3
165.12683	3.9
167.10678	5.5
169.10028	6.5
171.11674	14.8
173.09602	3.4
173.13264	19.8
175.11038	3.5
175.14743	7.5
177.12726	4.9
181.10010	3.3
182.10847	2.9
183.11594	10.1
185.13287	16.6
187.14844	14.4
189.12695	4.0
189.16301	6.8
191.14194	3.2
195.11633	4.1
197.13246	13.9
199.14778	14.2
201.12769	3.0
201.16307	7.8
209.13164	5.3
209.16415	3.2
211.14743	9.3
213.16266	10.2
215.14290	2.6
215.18106	2.9
223.14749	5.4
225.16312	8.6
227.17853	9.3
231.17435	4.2
233.15385	4.1
237.14612	5.9
239.14589	2.9
239.17717	4.4
241.15594	3.9
241.19388	2.8
243.17221	3.1
245.18886	8.4
251.17906	5.5
253.19502	2.8
255.20680	2.6
257.18933	2.8
259.20471	4.4
263.17664	4.4
265.19388	6.9
271.20361	4.8
277.19226	3.9
279.21027	3.4
281.18906	5.2
283.20361	9.0
285.21997	11.9
293.22534	3.6
295.20609	5.9
295.24002	6.1
297.21909	3.8
299.23337	2.8
309.21902	9.0
311.23712	26.6
313.25204	14.4
337.25259	14.9
339.26721	6.5
347.23340	3.3
349.25208	5.8
351.26620	8.8
363.26675	11.3
379.26239	4.0
381.27875	27.0
417.31149	9.6
435.32422	32.2
436.32562	2.8
453.33362	100.0
454.33612	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05514	24.3
57.07080	8.6
58.68192	4.4
67.05502	40.7
68.02068	4.2
69.03430	27.4
69.07072	36.7
69.25851	33.4
69.26250	6.5
71.04992	9.8
73.06557	7.2
79.05499	24.5
81.07051	47.1
83.04968	6.8
83.08641	15.2
85.06529	5.2
89.06059	6.5
89.96405	4.3
91.05482	16.7
91.66649	4.2
93.07053	39.4
95.04987	27.8
95.08609	73.4
97.06531	9.9
99.08112	7.4
105.07040	36.4
107.08605	47.1
107.90589	3.8
109.06516	7.1
109.10172	43.2
111.08074	10.8
117.07034	10.1
119.07807	6.4
119.08586	44.0
121.06561	5.7
121.10139	38.4
123.08099	22.4
123.11668	21.0
125.09632	8.4
126.35484	3.9
128.06207	4.1
129.07018	6.6
131.08540	25.1
133.06569	5.8
133.10121	33.5
135.08058	6.6
135.11705	18.5
137.09613	13.2
139.07463	5.0
143.08551	18.3
144.09334	6.0
145.10118	35.1
147.11694	20.6
149.09613	6.6
149.13266	13.0
151.11211	5.5
153.12825	5.1
155.08548	7.2
156.09352	5.2
157.10124	28.4
158.10782	4.7
159.11678	30.8
161.09668	4.8
161.13297	27.6
163.11160	6.6
165.12726	6.2
167.10641	9.3
169.10135	16.3
171.11700	21.7
173.13286	20.1
175.11287	5.8
175.14836	13.5
181.10103	5.8
182.10986	4.6
183.11684	13.2
185.13263	28.0
187.14839	20.3
189.16454	11.9
191.17888	4.5
195.11746	12.9
197.13226	14.0
199.14790	16.9
201.16418	6.7
203.14368	9.6
205.15889	6.7
209.13309	10.7
211.14885	12.0
213.16333	16.6
215.14537	5.5
215.17873	5.8
217.15967	4.7
223.14804	11.4
225.16432	13.7
227.18013	9.6
231.17447	12.2
237.16502	9.6
237.38190	4.1
239.17981	8.7
243.17491	6.9
245.19144	9.2
249.16383	6.1
251.18039	7.1
253.15981	6.4
253.19495	5.5
257.19037	6.7
259.20575	10.3
265.19467	10.4
267.21130	5.4
271.20593	5.6
283.20584	7.7
285.22238	10.6
293.19086	4.8
293.22397	5.4
295.20895	8.0
295.24341	11.7
297.22186	11.5
299.23740	5.1
309.22217	13.5
311.23807	27.7
313.25256	31.2
337.25339	23.9
339.26865	14.8
351.26758	16.6
363.26910	27.0
381.27884	58.5
407.33038	5.1
417.31360	14.2
435.32501	40.8
453.33405	100.0
454.34464	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.97221	3.0
55.05512	33.3
57.07087	16.2
59.05000	3.6
65.03924	4.6
67.05513	39.4
69.03421	15.3
69.07079	54.3
71.04991	6.4
71.08641	7.7
73.06547	4.8
79.05510	28.4
81.03419	7.0
81.07064	71.3
83.04999	18.8
83.08638	27.7
85.06532	6.0
85.10192	7.5
89.06017	3.7
91.05489	25.9
93.07047	54.9
95.04964	14.7
95.08620	95.8
97.06555	8.8
97.10165	12.3
99.08092	9.2
100.11259	6.7
101.09673	7.1
105.07040	53.8
107.04954	6.5
107.08607	67.3
109.06512	11.7
109.10165	51.6
111.08068	13.5
111.11700	3.5
113.09657	3.3
115.05392	4.0
117.07018	11.0
119.08599	52.2
121.06514	6.5
121.10144	46.8
123.08059	21.5
123.11740	24.2
125.09621	7.3
131.08553	25.1
133.10132	35.2
135.08109	3.8
135.11729	25.3
135.20496	3.3
137.09634	5.9
137.13251	8.7
139.11180	5.0
141.09096	11.4
143.08591	20.9
145.10139	33.8
147.08080	5.3
147.11691	33.6
149.09654	7.4
149.13263	13.6
151.11139	6.6
153.23518	3.4
155.08545	9.7
157.10159	26.1
159.11708	40.4
161.09663	8.7
161.13315	29.2
163.07388	4.4
163.11179	7.6
163.14813	6.0
165.12825	3.9
167.10667	5.4
169.10132	13.0
171.11711	20.5
173.09665	5.3
173.13254	26.0
175.14842	18.3
177.12669	5.4
181.10181	4.6
182.10889	4.2
183.11681	14.5
185.13245	18.2
187.14784	24.1
189.12708	7.8
189.16391	16.3
193.10332	4.7
193.12213	5.8
195.11708	7.3
197.13245	15.6
199.14870	14.2
201.12691	5.3
201.16429	12.4
203.14259	6.5
203.18027	7.8
205.15906	6.3
209.13252	12.6
211.14774	15.2
213.16353	11.4
215.14357	4.1
215.17931	3.8
217.15945	7.1
217.19591	6.3
221.13319	4.4
223.14828	8.0
225.16411	15.7
227.17973	10.9
229.19572	4.9
231.17554	5.0
233.15410	7.9
235.16943	7.8
237.16423	3.9
239.17946	4.4
241.15836	3.8
243.17577	4.5
245.18961	10.5
247.20572	4.8
251.17873	4.7
253.19533	9.2
257.18869	4.0
259.20663	4.0
263.17780	4.0
265.19510	3.9
267.17346	5.5
281.19086	3.8
283.20700	5.1
285.22137	11.2
295.20532	4.7
295.24020	5.2
297.22150	8.2
309.22205	7.2
311.23627	18.7
313.22015	4.2
313.25055	17.5
319.19598	8.4
319.23615	4.3
323.23495	3.6
333.25772	5.9
337.20599	10.6
337.25259	22.0
339.26932	4.9
349.25171	4.1
351.26862	10.4
363.26895	15.1
379.29666	4.2
381.27808	25.5
407.33023	4.9
417.31421	14.3
435.32288	26.4
453.33163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.05516	29.0
57.03437	3.2
57.07068	8.8
67.05509	29.0
69.03423	5.4
69.07068	58.7
70.06579	4.5
70.63315	7.4
71.05003	3.1
71.08625	2.0
77.03922	2.2
79.05493	19.0
81.03415	3.0
81.07061	100.0
82.07388	1.8
83.04973	10.7
83.08621	17.3
85.02907	2.7
85.06548	9.6
87.72636	2.3
91.05486	18.2
93.06486	3.4
93.07047	49.6
95.04966	3.5
95.08612	76.0
96.52487	2.1
97.06516	6.4
97.10162	6.6
99.04442	2.4
99.08096	8.2
100.11268	4.6
103.05470	2.6
105.07040	39.0
107.04955	13.9
107.08604	42.4
109.06529	6.2
109.10165	37.3
110.86462	2.3
111.08104	11.6
111.11720	5.9
111.22688	2.0
115.05496	2.5
117.07001	6.3
119.04916	2.4
119.08596	38.0
121.06484	4.2
121.10148	40.1
123.08088	35.2
123.11704	23.2
125.09661	4.8
127.03944	2.5
129.07037	4.5
130.07774	2.4
131.04939	4.9
131.08563	12.2
133.06546	2.8
133.10130	25.9
135.08060	18.6
135.11690	22.2
137.05986	3.9
137.09630	9.6
137.13251	9.5
139.07507	3.2
142.07788	4.9
143.08545	8.1
145.10126	22.0
147.08067	3.2
147.11661	23.3
149.09618	10.0
149.13266	17.0
151.07552	7.1
153.12689	5.9
155.08559	2.6
156.09303	3.4
157.10130	22.4
159.11687	16.8
160.08826	2.7
161.09604	8.5
161.13249	19.9
163.11186	12.3
163.14780	7.9
165.05563	2.0
165.12758	9.6
169.10168	2.7
171.11681	16.3
173.09550	3.5
173.13293	16.4
175.11221	11.1
175.14819	4.5
177.12759	18.3
177.16307	2.6
179.10690	5.1
179.14206	2.8
183.11667	3.9
185.13223	6.5
187.11232	6.1
187.14812	4.5
189.12746	21.9
189.16298	2.6
191.14297	6.1
193.12250	2.4
193.82787	2.4
197.13255	2.9
201.12762	4.5
201.23190	2.0
203.14323	11.1
203.17964	2.3
205.12248	3.6
211.14796	3.9
213.16444	4.5
215.17946	4.1
217.15810	2.7
217.19533	2.2
227.17863	3.4
229.15939	3.7
229.19550	2.9
231.17455	9.4
233.19067	4.5
239.17944	3.3
241.21750	2.4
243.17390	4.7
245.18974	9.1
247.20583	6.6
255.17458	3.8
257.19028	11.9
261.18533	6.4
263.20132	2.5
273.18619	2.7
273.22107	2.4
275.19983	8.1
289.25171	4.6
301.25211	2.5
324.19144	2.2
363.30402	2.7
381.31473	12.9
399.32654	40.0
417.33707	26.4
435.34579	3.7
453.24753	3.3
453.33853	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	453.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05513	25.9
56.96557	8.6
57.07074	14.8
65.03915	3.9
67.05499	33.9
68.83498	2.8
69.03416	2.8
69.07067	40.0
69.90215	10.9
71.04984	9.6
71.08611	8.5
79.05508	17.1
80.70769	2.6
81.06592	4.2
81.07056	63.6
83.04961	5.0
83.08620	20.7
85.06479	3.4
89.06004	3.6
91.05485	25.7
92.37041	2.6
93.07042	46.7
95.04969	6.0
95.08609	100.0
97.06542	6.0
97.10168	10.8
100.11255	5.5
105.07027	45.2
107.04977	3.7
107.08597	52.3
109.06520	5.0
109.10157	51.2
111.08068	6.3
111.11691	2.4
113.09650	5.2
117.07014	10.2
119.08577	52.1
121.06529	3.8
121.10149	37.6
123.08035	5.7
123.11713	36.8
125.09618	7.8
125.13207	2.9
129.07042	3.5
129.09093	3.0
131.08582	24.0
133.10123	33.1
135.08040	7.0
135.11664	20.7
137.09604	5.4
137.13252	5.4
139.11203	3.9
141.06963	2.9
142.07791	3.6
143.08560	12.8
145.10110	33.4
147.11688	28.2
149.09544	4.4
149.13292	20.6
151.03912	5.0
151.11206	7.3
155.08549	6.1
156.09299	6.0
157.10138	16.5
159.11687	29.5
161.09616	3.7
161.13266	22.6
163.11147	8.3
163.14830	11.6
165.12753	3.4
167.08513	3.5
169.10130	7.7
171.11688	16.2
173.09627	3.5
173.13255	26.7
175.11320	2.7
175.14796	19.7
177.12798	3.0
182.10797	2.5
183.11693	7.1
185.13251	11.2
187.11253	3.8
187.14841	25.1
189.12775	4.9
189.16367	18.6
195.11700	3.8
197.13312	9.1
199.14813	8.1
201.12819	3.5
201.16415	5.8
203.14345	6.6
203.17969	5.8
205.15923	11.0
205.19492	6.1
207.13829	2.9
209.13196	6.2
209.16464	5.5
211.14775	4.7
213.16342	5.6
215.14281	9.0
215.17973	3.0
217.15950	12.3
217.19466	7.8
219.11797	3.0
223.14789	4.9
225.12537	3.0
225.16391	4.5
225.20790	2.8
227.18016	4.1
229.16029	3.5
229.19519	6.9
231.17422	5.5
231.20988	6.5
233.15356	9.5
235.16920	14.5
237.14549	3.4
237.16631	3.4
239.17912	4.3
247.20473	4.5
253.19698	2.8
265.19458	3.6
269.19049	3.6
282.69751	3.4
283.20584	3.6
285.22171	3.9
293.22635	6.1
295.24149	3.7
304.77451	2.9
309.22153	4.7
311.23685	9.3
313.25226	6.3
319.19415	27.2
329.24692	2.7
337.20523	30.4
351.26459	3.5
360.21930	6.2
363.26721	3.1
381.27719	6.5
435.31580	5.0
435.36118	19.6
453.33185	29.5
453.37616	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	453.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07383	6.0
53.50422	5.1
54.06308	6.9
55.05503	51.2
57.07074	21.2
67.05498	39.8
69.07076	58.2
70.93459	5.8
71.08626	6.2
71.48900	10.1
79.05516	28.9
81.07059	80.7
83.05018	7.5
83.08623	37.7
89.06056	13.8
89.13909	5.8
91.05501	21.0
93.07061	68.5
95.08612	100.0
97.10194	19.0
100.11269	54.9
105.07034	51.6
107.08595	86.2
109.10159	72.2
111.04446	7.8
111.11771	7.7
117.07024	7.2
119.08575	50.2
121.06487	9.1
121.10160	53.8
123.11709	67.5
131.08603	26.7
133.08572	9.8
133.10121	46.7
135.08131	8.7
135.11682	38.2
137.13237	14.6
143.08591	9.6
145.10150	29.5
147.11693	32.6
149.13293	31.8
153.09085	8.3
157.10130	19.8
159.08073	12.2
159.11713	39.2
161.09622	12.3
161.13284	23.8
163.14836	18.8
171.11740	20.1
173.13268	30.7
175.11229	9.1
175.14864	23.6
177.16444	10.5
179.10632	6.3
179.14279	7.2
181.12187	6.9
182.15402	19.1
185.09532	8.5
185.13235	10.9
187.14897	16.0
189.16451	6.9
195.13884	7.8
197.13136	6.9
199.14935	8.2
201.12833	7.5
201.14590	6.4
202.13043	5.7
203.14438	7.8
203.18074	11.7
205.12309	6.2
205.15904	6.4
209.16649	17.1
210.14920	17.7
215.17984	6.6
217.19508	13.1
226.19218	9.0
229.19553	7.1
233.15331	8.4
235.16881	12.3
245.22955	6.6
247.16811	8.2
283.24216	7.0
326.27762	7.2
329.24850	10.2
383.29510	9.3
435.32639	28.3
453.36847	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
53.13938	3.1
55.05515	23.0
56.31662	3.2
57.07071	15.3
57.07333	3.7
67.05514	36.9
68.24200	4.1
68.24607	3.6
69.03434	12.1
69.07075	44.9
70.71043	3.1
70.97649	6.9
71.08648	5.7
73.46838	3.5
79.05499	19.9
81.07063	64.3
83.08617	28.5
89.06023	7.8
91.05514	11.4
93.07048	31.7
94.74634	3.3
95.08610	87.5
95.09187	6.7
97.10177	11.6
100.11253	16.9
105.07021	24.1
107.08591	60.2
109.10163	98.1
113.09660	11.5
119.08580	25.2
121.10139	53.9
123.11713	34.7
125.09649	4.9
128.31427	3.8
131.08559	5.7
133.08618	6.0
133.10139	21.1
135.11694	40.2
137.13242	15.0
147.11705	25.6
149.13260	26.6
153.12764	30.8
159.11722	10.7
161.13268	12.0
163.14847	17.4
173.13344	4.8
175.14891	8.0
177.16412	9.3
182.15387	6.5
187.14877	6.9
189.16432	19.8
191.17953	100.0
201.16380	12.6
203.17995	12.7
203.37132	3.8
205.19543	6.0
209.16516	5.9
210.14894	10.0
215.18053	6.3
217.19543	11.4
231.21167	8.2
239.14903	6.0
240.15381	4.1
243.21143	5.9
257.22708	4.8
261.22043	4.7
263.23779	4.8
297.25790	5.8
299.27451	5.5
329.55960	3.9
405.86176	3.7
435.33365	6.4
453.34470	22.7
453.40918	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30457	1.3
69.03423	3.7
69.07073	4.8
70.06581	6.6
71.48341	2.1
71.84984	1.6
72.08150	3.5
73.02923	1.9
81.03426	1.7
82.06577	11.9
84.08139	3.6
85.02908	6.0
86.09700	4.3
86.70111	1.3
91.05485	18.2
96.27148	1.5
97.02926	2.7
100.07632	5.0
106.06549	2.7
107.04977	6.7
109.02820	1.7
115.47017	1.4
115.47820	1.5
127.03948	2.2
142.08644	100.0
143.07301	8.7
154.06544	5.2
156.08063	4.6
158.09695	4.2
163.11162	1.8
170.06023	23.1
171.06799	58.5
171.08292	2.9
177.02429	2.0
182.06018	3.5
184.07584	4.2
186.09146	69.9
187.09448	2.3
198.05516	47.5
199.06236	2.2
202.08664	7.8
202.10777	4.8
210.05576	2.8
212.07182	2.3
214.08646	76.1
230.08150	52.0
231.08318	1.3
232.13359	2.2
242.08112	9.1
244.09589	2.0
258.50824	1.5
260.09177	26.5
274.10678	2.8
278.07419	2.7
278.10248	30.5
292.08691	1.5
292.11841	5.4
346.14981	7.5
352.05017	2.6
386.12711	1.7
394.18472	1.9
404.13074	3.3
422.14511	56.3
423.14996	1.7
448.05597	1.8
454.20953	20.4
455.07468	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	454.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01865	1.4
56.96555	1.6
60.04516	3.8
67.05499	3.1
69.03429	4.1
70.06595	4.1
70.28395	2.5
70.28779	1.9
73.02907	1.6
77.03931	1.3
79.05500	1.6
81.03435	1.8
84.04520	1.4
84.08144	1.4
85.02924	6.8
86.09695	1.5
87.04463	1.4
87.05616	2.2
91.05492	1.1
95.04967	2.5
97.02898	3.1
98.97592	3.0
102.05547	3.1
103.05450	1.5
105.03387	3.2
106.06546	3.3
107.04963	13.3
108.08125	79.3
110.07155	1.2
118.67886	1.2
120.08113	34.8
123.04435	100.0
123.06836	3.1
124.07599	12.8
127.03954	2.1
133.06078	4.5
134.06030	8.3
136.06216	9.1
136.07587	13.9
144.30699	1.2
147.04494	1.2
152.07076	60.3
170.08122	10.4
175.07126	1.4
186.11363	1.3
207.11328	1.7
237.02927	1.3
280.12946	5.1
304.13055	2.0
314.12335	28.6
316.28464	1.1
332.13419	96.7
348.06989	2.5
398.38870	1.1
454.16495	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	454.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01872	0.7
55.05511	1.2
56.31289	0.5
57.03432	0.5
67.05487	0.7
69.03424	1.7
70.06582	1.0
71.47796	0.9
71.48197	0.7
79.05496	1.2
81.03413	1.1
81.07036	1.6
85.02913	3.2
85.06575	0.8
86.09698	0.9
91.05488	12.2
93.07039	4.7
94.04198	0.9
95.04965	2.4
95.08623	1.1
97.02903	0.6
100.11257	2.4
103.05466	1.9
105.07006	1.5
107.04962	3.4
108.05721	1.6
109.06481	0.8
118.04175	0.8
119.04964	7.4
119.08579	1.0
121.06539	1.4
122.03654	3.4
123.04355	0.7
123.08077	5.5
127.03923	0.8
131.04919	1.2
132.11099	0.6
133.06514	2.3
136.05211	3.2
137.05984	98.2
138.06320	0.9
139.07558	4.2
145.10063	0.9
151.07552	81.4
152.07872	0.6
161.09593	0.6
210.14911	0.9
211.07513	0.6
243.10208	2.3
256.09756	1.4
258.11365	1.3
259.87271	0.6
260.81778	0.6
275.12790	100.0
276.13150	2.4
299.12607	0.7
327.22281	0.6
341.13797	1.0
454.34604	0.8
455.23007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.1
57.03421	1.7
57.07082	25.4
61.02930	2.2
67.05481	1.2
69.03445	5.5
69.07043	1.2
69.57238	6.1
71.04984	1.0
73.02921	1.5
81.03407	2.9
81.07056	2.8
83.01316	0.9
83.04971	1.2
85.02914	26.0
85.06549	100.0
86.06098	1.0
86.09704	1.3
91.03993	1.1
91.05486	1.5
91.70426	1.0
93.07052	1.4
97.02901	9.1
99.04434	1.8
105.07091	1.1
107.04961	10.0
109.02883	1.8
109.06522	3.5
113.02334	1.2
123.08067	1.0
123.11694	1.6
126.34708	1.0
127.03934	4.9
127.07498	1.3
137.09587	1.6
138.67958	1.1
145.04958	7.7
145.08607	94.0
147.08087	1.2
147.11620	1.1
163.06027	2.3
165.12744	7.9
173.08113	1.3
189.12695	1.3
191.09171	24.0
207.13823	1.0
211.13385	1.2
229.10732	1.3
257.13885	9.7
365.20227	1.0
441.39212	1.0
454.20181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.19540	1.3
57.03440	1.4
57.07076	23.7
59.31758	1.2
61.02919	2.2
63.17140	1.3
69.03435	6.1
69.60264	1.1
69.84048	4.2
69.84463	1.9
70.06598	1.2
73.02934	1.7
81.03421	4.2
81.07071	1.1
85.02911	32.5
85.06549	86.3
93.07050	1.2
97.02889	7.4
98.21436	1.3
99.04474	1.5
108.29198	1.2
109.02880	3.9
109.06544	1.7
119.08596	1.7
121.84969	1.2
123.08067	1.4
127.03895	8.2
127.07542	1.4
135.08061	1.4
145.04965	11.3
145.08607	100.0
147.08086	2.7
151.07571	2.7
163.06059	3.4
173.08038	1.7
189.12822	3.3
190.72607	1.3
191.09148	28.4
191.14214	1.3
207.13959	1.4
210.15002	1.2
214.53143	1.2
220.83795	1.1
229.10739	1.8
393.39517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.5
57.03440	7.9
57.07077	25.5
67.05505	6.0
69.07068	5.0
71.08630	17.4
79.05479	0.9
81.07057	7.6
83.04959	0.5
83.08614	4.6
85.06507	0.4
85.09676	0.6
85.10182	8.7
87.31548	0.3
89.06055	1.8
93.07067	0.6
95.08615	9.6
96.08977	0.4
97.06530	0.5
97.10155	3.1
103.07586	0.9
104.78052	0.4
107.08621	0.8
109.10155	4.6
119.08580	0.6
123.11697	1.5
124.01578	0.4
131.10712	0.4
137.13232	0.9
141.86354	0.4
188.20572	0.4
216.06352	1.2
229.05226	0.4
239.23666	1.0
257.24664	2.2
282.27878	3.5
313.27362	100.0
314.27835	2.0
398.89969	0.6
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
51.71965	1.5
53.99046	1.6
55.05512	1.7
57.03434	3.8
57.06002	1.7
57.07071	18.6
58.45221	1.4
62.05805	1.6
62.06093	25.3
62.30702	1.4
63.05533	1.3
67.05486	4.4
69.07053	3.7
69.70799	5.0
69.71198	2.5
71.08632	13.1
81.07053	3.4
83.08596	4.9
85.10171	8.8
91.26212	1.7
92.78348	1.5
95.08608	9.3
97.10163	3.4
97.71252	1.4
98.98454	4.8
109.10164	5.0
155.01009	5.8
239.23778	1.9
242.64339	1.7
282.28000	9.1
313.27368	100.0
393.24045	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	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.07079	36.9
69.07064	2.4
69.26268	5.3
69.26684	1.6
71.08637	26.3
73.06559	6.5
81.07040	2.2
83.08615	3.6
85.10188	20.8
87.04459	1.5
89.06036	100.0
91.05493	0.9
93.07049	0.9
95.08578	2.6
97.06531	0.8
97.10156	3.9
99.11736	4.5
107.04984	0.9
107.07053	2.8
107.08623	1.3
109.10153	1.0
113.13279	1.7
117.09143	3.3
120.08815	0.9
130.08643	2.3
132.09029	0.8
133.08611	45.7
147.23405	0.9
151.09720	1.3
155.17938	3.4
177.11224	15.9
195.12349	1.9
199.20560	3.4
212.70903	1.0
221.13910	2.5
239.14931	1.7
243.23212	8.4
283.17529	13.6
287.25833	2.3
349.29532	1.2
366.40891	0.9
437.34811	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	455.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19541	0.7
69.77699	4.9
73.19994	0.7
84.96497	0.8
98.21406	1.6
112.89616	13.0
144.54625	1.0
413.87549	1.0
455.11685	100.0
456.12097	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.1
68.66505	1.1
70.06568	1.3
71.33600	2.1
72.82561	1.1
75.48116	1.1
76.53631	1.1
79.64052	1.2
87.89259	1.1
95.95702	1.2
96.65247	1.1
98.97601	4.4
101.00897	2.3
104.10149	1.1
112.89623	22.5
116.98621	1.4
119.01943	2.5
131.01939	1.8
143.00159	1.7
143.01910	6.4
145.03491	1.6
147.04425	1.3
148.59134	1.2
155.01878	6.8
157.03482	2.1
161.02974	4.7
167.01929	2.1
173.02960	7.8
185.02951	9.4
197.02919	2.0
203.04114	5.3
221.05098	3.0
227.03973	1.3
245.05104	12.3
252.91809	1.1
275.02649	1.7
275.06189	1.5
293.03622	3.4
305.07172	1.2
307.08807	2.5
321.10339	3.2
365.09384	2.7
455.11679	100.0
456.11703	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
54.69564	0.6
55.05502	1.6
57.03424	1.2
59.13480	0.6
61.02929	1.4
67.05491	1.1
69.03435	4.8
69.07081	0.9
71.04971	1.1
71.48013	0.6
71.48408	0.6
79.05488	0.9
81.03426	6.5
81.07053	2.5
85.02912	9.2
91.05499	1.7
93.07042	1.6
95.04984	1.4
95.08605	1.8
97.02901	4.4
99.04462	2.2
103.05472	31.8
105.07036	0.9
107.04948	3.8
107.08595	1.0
109.02898	3.5
109.10149	1.6
109.98183	0.7
116.89601	0.8
119.08601	1.0
121.37214	0.7
123.11688	1.1
127.03932	3.9
131.04938	100.0
132.05263	1.3
133.10133	1.1
135.11652	0.8
137.05997	1.1
143.08540	1.1
145.05000	1.7
145.10155	0.8
149.05956	3.0
157.10042	0.7
171.11716	0.8
193.45998	0.6
211.17125	0.7
275.09198	5.9
293.10297	2.6
334.58328	0.7
455.14862	0.8
475.99423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
54.69564	0.6
55.05502	1.6
57.03424	1.2
59.13480	0.6
61.02929	1.4
67.05491	1.1
69.03435	4.8
69.07081	0.9
71.04971	1.1
71.48013	0.6
71.48408	0.6
79.05488	0.9
81.03426	6.5
81.07053	2.5
85.02912	9.2
91.05499	1.7
93.07042	1.6
95.04984	1.4
95.08605	1.8
97.02901	4.4
99.04462	2.2
103.05472	31.8
105.07036	0.9
107.04948	3.8
107.08595	1.0
109.02898	3.5
109.10149	1.6
109.98183	0.7
116.89601	0.8
119.08601	1.0
121.37214	0.7
123.11688	1.1
127.03932	3.9
131.04938	100.0
132.05263	1.3
133.10133	1.1
135.11652	0.8
137.05997	1.1
143.08540	1.1
145.05000	1.7
145.10155	0.8
149.05956	3.0
157.10042	0.7
171.11716	0.8
193.45998	0.6
211.17125	0.7
275.09198	5.9
293.10297	2.6
334.58328	0.7
455.14862	0.8
475.99423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05494	3.3
55.24403	0.8
57.03425	1.7
57.07065	1.0
59.65387	0.9
61.02936	0.9
65.03896	0.7
67.05511	6.3
69.03430	6.6
69.07087	4.5
69.73950	0.8
69.79260	2.3
69.79681	2.5
70.16315	0.8
71.05005	2.1
79.05494	4.3
81.03443	5.3
81.07066	9.5
83.04981	1.3
83.08629	1.6
85.02910	13.0
85.06550	1.6
86.09705	1.3
91.05490	4.0
93.07056	4.8
95.04961	3.8
95.08610	6.4
97.02905	11.9
97.06544	2.3
97.10191	0.9
98.20830	1.0
99.04465	2.2
103.04810	1.6
103.05474	27.9
105.07041	5.2
107.04961	9.1
107.08606	5.6
109.02893	4.4
109.06515	1.6
109.10136	4.4
117.07030	0.9
119.04942	1.1
119.08585	4.2
121.06525	1.6
121.10153	4.7
123.08070	1.2
123.11712	2.6
125.09615	1.4
127.03896	4.7
131.04938	100.0
131.08585	2.0
133.10129	3.4
135.11682	2.4
137.05939	1.3
137.09671	1.5
139.03941	1.2
141.84494	0.8
143.08528	1.4
145.04941	2.8
145.06477	1.2
145.10121	3.3
147.07990	1.1
147.11652	1.3
149.05992	5.6
149.09558	1.4
149.13257	1.8
157.10201	0.9
159.08160	0.9
159.11722	2.8
161.09587	2.1
163.03915	2.1
165.09114	1.6
169.05022	1.1
171.11580	1.0
173.09586	0.9
187.06076	1.0
187.11244	1.4
203.48694	0.7
205.12173	1.1
209.11674	0.9
215.10521	0.9
265.08423	1.1
275.19986	2.4
288.32214	0.8
293.10187	2.3
293.21243	1.3
293.24863	1.0
455.14731	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	455.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42741	0.7
53.03947	2.1
55.01867	1.8
55.05500	0.8
57.03437	1.6
59.58987	0.7
61.02915	1.7
67.05501	1.4
69.03426	8.9
69.07057	1.1
69.58464	0.9
71.48925	1.0
73.02915	1.2
79.05483	1.1
81.03403	5.1
81.07066	1.8
85.02907	14.8
91.05474	1.8
93.07039	1.5
95.04974	1.0
95.08596	1.9
97.02891	12.1
98.16915	0.8
99.04462	1.9
103.05466	26.0
105.06989	1.2
107.04946	4.4
107.08614	1.4
109.02921	4.0
109.10143	1.3
111.04452	0.8
118.09979	0.8
119.08580	0.8
121.10073	0.9
123.11750	1.1
127.03915	4.0
131.04932	100.0
132.05206	1.3
133.10173	1.5
137.09602	0.8
143.08556	0.9
145.04956	2.1
149.05954	3.3
150.67046	0.7
183.07993	0.9
198.06920	1.0
227.21478	0.8
235.07774	0.8
237.09128	1.7
241.08553	1.9
242.09479	0.9
247.07625	0.9
249.09142	2.4
250.09818	1.7
251.11096	0.7
253.08565	1.1
261.09320	1.1
263.10666	2.4
265.08585	1.9
266.09384	1.2
269.08179	0.8
273.09113	1.5
275.09152	3.3
277.08603	1.4
279.10236	2.9
280.10938	1.6
281.11636	4.3
290.09113	1.0
291.10132	1.7
293.10272	5.9
295.13071	1.0
305.11758	3.0
309.11172	5.3
319.09384	1.5
323.12723	2.8
333.11188	6.0
351.12247	19.8
351.16476	1.0
455.14963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	0.7
55.05499	0.8
57.03437	0.9
61.02935	0.7
67.05508	1.3
69.03430	5.4
70.13799	1.2
70.14171	2.2
78.44687	0.6
81.03420	4.4
81.07058	0.9
83.04981	0.6
85.02908	8.0
91.05467	1.0
93.07023	0.7
95.04968	0.8
95.08598	1.0
97.02903	4.2
99.04449	1.4
103.05470	30.7
107.04970	2.1
107.08569	0.9
109.02874	3.3
109.10178	1.3
111.08084	0.7
120.51523	0.5
127.03925	3.3
131.04933	100.0
132.05237	0.9
132.95903	0.7
147.51350	0.5
149.05988	3.3
149.13295	0.7
207.13805	0.8
232.04962	0.6
238.39537	0.6
249.09138	0.6
275.09116	5.2
293.10172	2.0
423.14603	0.9
455.15167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60281	0.7
53.03938	2.3
55.01866	1.1
55.05505	2.9
57.03436	1.4
57.07058	1.3
61.02921	1.3
63.02378	0.8
63.49006	0.7
67.05516	4.0
69.03448	7.1
69.07072	4.5
71.04985	2.1
71.48112	1.8
74.19805	0.9
75.03693	0.7
75.49979	0.8
79.05482	2.5
81.02997	0.9
81.03419	4.9
81.07068	9.3
82.86194	0.8
83.08625	1.6
85.02913	12.3
91.05477	2.9
93.07074	3.9
95.04971	3.3
95.08602	5.3
97.02893	12.1
97.06528	2.2
99.04456	2.7
103.05473	28.8
105.07042	4.7
107.04966	7.9
107.08601	5.3
109.02886	2.1
109.06526	1.4
109.10142	3.3
110.31960	0.8
111.08115	0.9
117.06989	1.5
119.08563	3.1
121.06461	1.3
121.10139	3.1
123.07961	0.9
123.11713	3.1
125.05975	1.2
127.03928	4.9
131.04936	100.0
131.08549	1.9
132.05255	1.7
133.10117	2.5
135.04401	1.0
135.08060	1.0
135.11673	2.1
137.13303	1.0
139.03917	1.3
143.08540	1.6
145.04951	2.4
145.10109	2.4
147.11682	1.7
149.05991	5.6
149.09624	0.9
149.13274	1.0
151.07549	0.9
151.11185	0.9
157.10069	0.8
159.11652	1.2
161.09679	1.8
161.13313	0.9
163.11115	1.2
165.09111	1.9
169.05034	0.9
173.13292	1.1
175.14799	0.8
187.14888	0.9
189.09073	0.8
203.17903	0.8
253.16206	0.8
275.09030	1.0
275.19977	2.2
293.10245	2.2
293.21027	1.2
388.09479	1.1
440.60117	0.8
455.14456	1.6
455.31430	0.9
482.02206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01875	2.4
67.05501	2.6
69.03419	6.4
69.07066	3.8
70.06595	3.5
71.48596	2.3
75.61007	1.5
79.05491	2.9
81.03419	6.4
81.07071	2.5
83.86077	1.5
84.24906	1.8
85.02905	5.5
85.06540	4.6
86.09711	19.4
91.05485	3.2
94.04191	2.7
95.08604	1.7
97.02876	6.3
103.05441	2.7
105.07050	2.8
107.04438	1.4
107.04972	16.8
109.02904	1.6
109.06512	3.3
112.07411	1.5
116.07069	4.0
119.04937	3.0
119.08616	2.4
122.03656	9.7
127.03871	1.6
131.04945	9.3
131.08559	4.0
137.05991	100.0
141.06966	2.9
145.06488	3.6
145.08591	2.7
147.04355	4.1
147.08011	3.3
151.03909	2.8
151.07533	9.7
153.05490	2.4
153.06929	2.4
159.04472	1.8
160.05203	1.6
161.06015	8.2
165.07007	3.9
169.06432	4.1
171.11642	1.8
173.06033	3.9
175.07603	2.0
177.05600	1.7
177.10240	5.7
185.05994	2.0
187.07533	1.8
189.10802	1.4
189.12743	5.4
195.08034	1.7
197.05997	2.7
198.06818	2.3
199.07602	3.1
199.18069	2.1
205.06581	2.7
207.13815	4.5
209.05948	1.9
210.06671	2.0
211.07497	4.8
213.92764	1.8
215.06744	2.1
215.08582	2.0
218.07310	2.2
219.08047	2.9
222.06734	1.9
225.09102	1.9
227.17560	6.1
229.15431	4.9
231.07968	2.2
233.05898	1.8
234.06805	3.7
235.07599	4.2
237.09164	2.4
238.06235	2.7
239.06880	2.9
241.08601	4.8
243.07942	3.2
244.08815	2.2
245.05782	1.7
246.06790	4.4
247.07510	2.1
248.08197	2.4
249.09135	3.1
249.15921	4.8
251.06888	1.7
253.08598	5.6
255.10272	2.3
257.08099	6.0
259.07376	2.4
261.09158	4.9
263.07028	3.7
265.08618	4.2
267.10175	2.3
269.07794	2.3
269.09955	2.2
271.07156	2.6
271.09674	12.9
272.10806	2.0
273.09012	1.6
275.09293	2.5
275.20010	3.0
276.07843	1.8
277.08585	10.1
278.09384	3.3
281.09323	1.8
283.09750	4.1
285.09030	3.6
289.08383	16.0
289.11349	3.0
290.09253	3.0
291.06647	3.4
291.10022	3.0
293.08023	1.9
293.18561	3.8
294.08963	2.3
297.09003	3.9
300.07733	1.8
301.08237	2.2
303.10159	3.5
305.08170	3.0
306.08838	3.4
309.11429	10.5
314.09436	2.6
315.10019	3.2
316.10983	3.1
317.08087	2.1
317.11682	2.2
321.11264	23.8
326.09351	1.6
327.10214	2.5
329.11557	2.5
334.29541	1.9
341.11777	3.7
343.09723	2.6
345.11081	1.9
347.12854	4.1
349.14185	2.7
357.11185	7.0
359.13022	2.6
361.14343	3.2
369.11115	1.6
375.12134	2.9
377.13992	3.2
387.12341	4.9
388.13153	4.4
389.13791	10.2
401.13681	4.4
407.15085	10.0
419.14828	15.5
425.15469	2.8
437.15967	12.4
455.16690	4.3
455.22281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05506	2.1
57.03440	2.9
67.05501	2.6
69.03422	7.1
69.07062	3.7
70.06587	3.2
71.48552	3.3
79.05486	4.2
81.03431	5.0
81.07059	2.8
85.02906	7.3
85.06546	5.5
86.09705	17.7
91.05489	3.8
94.04189	4.7
95.04986	2.0
97.02875	5.6
103.05434	3.5
105.07065	2.7
107.04970	15.1
109.02866	1.9
109.06520	3.8
116.07087	2.3
117.06996	2.6
119.08578	4.4
122.03637	8.0
129.37213	1.8
131.04926	8.5
131.08542	3.3
133.06509	3.0
133.10129	4.0
137.05986	100.0
145.06525	4.4
145.08681	3.4
147.04422	4.2
151.03935	3.5
151.07523	7.7
151.16872	2.1
153.05338	2.6
159.04411	2.9
159.07941	1.8
161.06006	8.6
164.61961	1.8
165.07014	4.3
169.06508	2.3
173.05952	2.4
175.07616	3.2
177.10226	5.3
181.06511	2.5
183.08090	2.4
185.05907	3.0
187.07524	3.6
189.12781	3.1
195.08141	2.4
197.06020	5.2
199.07559	3.2
199.18057	4.1
203.06892	2.6
203.08562	2.6
205.06557	2.1
207.13792	4.3
209.05888	2.4
210.06804	2.6
211.07587	5.1
213.05475	2.1
213.63503	2.0
217.06570	2.8
218.07281	3.8
219.08218	2.9
221.05978	3.5
222.06705	2.5
227.17586	7.1
229.15552	3.8
231.08080	3.2
233.05914	2.3
234.06807	3.2
235.07582	4.6
237.09161	3.4
241.08463	4.2
243.08073	5.1
246.06700	4.9
249.08951	3.9
249.16003	4.5
251.07048	2.9
253.08603	5.8
257.07965	9.8
261.09116	4.4
262.06335	2.7
263.06934	2.2
265.08673	4.5
269.09637	4.2
271.09900	11.6
274.09723	2.8
275.09320	2.7
277.08536	6.6
281.09668	2.0
283.09760	2.6
285.09006	4.4
286.09824	2.3
289.08356	18.6
289.11380	2.3
290.09421	4.1
291.06680	2.8
291.09991	3.1
293.18478	3.7
297.09042	3.4
298.09851	2.2
301.08334	3.6
303.10028	3.5
305.08224	3.2
306.08893	4.9
308.10593	2.4
309.11172	8.8
315.10181	3.6
321.11230	24.1
326.09290	2.9
327.10400	2.2
329.11737	4.1
341.11615	4.1
343.09598	2.0
347.12790	3.4
357.11093	6.9
361.14511	2.5
369.11090	4.4
375.12213	4.7
377.13864	3.5
387.11951	3.4
388.13107	4.2
389.14041	11.0
401.13989	3.7
407.15182	11.0
419.14841	14.9
425.15762	4.5
437.15900	10.8
455.17044	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	455.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03943	2.2
54.38857	0.5
64.77961	0.5
67.23133	0.5
69.03435	0.9
77.03899	0.8
78.21243	0.5
79.05496	2.6
84.83349	0.5
85.02904	0.8
91.05465	3.3
95.04978	1.3
100.11263	0.7
103.05468	0.6
105.04559	0.8
105.07030	1.3
107.04963	100.0
107.08641	1.1
108.05299	1.6
119.04966	2.8
119.08623	0.6
127.03898	0.7
133.06512	6.6
133.10222	0.7
137.05934	1.4
152.78302	0.6
165.07051	0.7
165.09084	0.8
189.12801	1.7
191.14392	2.6
195.08218	0.9
207.13919	1.7
211.07448	1.1
211.15349	0.6
212.08301	0.8
213.09093	6.1
237.09181	0.7
239.10680	0.7
242.09380	0.7
243.10191	5.8
254.09407	0.7
255.10213	5.8
259.07690	0.5
267.10117	1.1
349.14386	10.9
361.14209	4.0
455.18777	2.6
455.32980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1853
Annotation	2,7-Dihydroxy-1,3-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03938	1.8
55.16668	0.6
61.62333	0.7
67.79453	0.5
69.03413	1.0
69.07067	0.8
71.48682	1.1
79.05489	2.6
81.03442	0.8
81.95844	0.6
83.08585	0.6
85.02901	0.8
91.05470	3.2
93.07032	0.7
94.35966	0.7
95.04961	2.1
95.08602	0.6
103.05481	0.6
105.04526	1.2
107.04961	100.0
107.08569	1.2
108.05268	1.1
119.04969	3.3
119.08546	0.8
121.06493	1.8
133.06497	7.1
133.10155	0.7
137.05997	1.5
143.38416	0.6
145.10152	0.6
155.45436	0.7
165.09122	0.7
176.86230	0.7
182.66687	0.7
183.08087	0.7
186.05151	0.7
189.12819	1.8
191.14301	3.1
205.06560	0.6
207.13846	1.6
208.23746	0.7
213.09137	6.3
224.08540	0.6
225.09158	1.0
227.10521	0.6
242.09521	0.6
243.10173	5.2
248.99390	0.7
255.10205	7.0
267.10132	1.7
341.71014	0.7
349.14343	10.2
350.14682	0.9
361.14362	5.5
432.89981	0.7
455.18201	2.8
455.32983	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	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01873	6.7
55.05512	8.3
57.03431	8.0
61.02938	5.0
63.51606	3.6
67.05501	8.5
68.99780	5.8
69.03436	30.4
69.07071	15.8
71.05008	6.0
71.48267	4.5
77.11665	2.7
79.04742	2.9
79.05495	12.4
81.03416	23.2
81.07049	10.0
83.04987	6.1
85.02910	37.8
87.00867	14.9
91.05466	14.8
93.07059	9.9
95.04973	14.2
95.08595	11.6
97.02908	12.6
97.06517	13.8
99.04440	8.6
100.11228	3.2
101.33459	2.6
105.01859	12.5
105.07032	16.7
107.04958	48.6
107.08595	18.2
109.02885	22.1
109.06536	15.2
109.10137	9.3
111.08079	7.0
117.01814	3.8
117.07004	7.1
119.04943	3.6
119.08589	21.1
121.06510	10.3
121.10145	9.8
123.08069	100.0
123.11698	3.4
125.09643	8.9
127.03931	30.6
129.01836	3.3
129.07010	4.9
131.04987	4.6
131.08559	8.1
133.06506	36.5
133.10138	8.0
135.08037	9.5
137.05986	17.1
137.09605	5.6
141.06908	2.9
142.07736	4.2
143.08513	3.9
145.04973	7.2
145.10162	8.8
147.08083	6.1
147.11702	18.7
149.09645	13.8
151.07530	19.4
151.11203	5.3
159.08110	6.1
161.09610	6.8
161.13235	5.9
163.11174	11.8
165.09140	9.6
165.12785	11.5
169.10175	3.1
171.11729	6.6
173.09619	3.8
175.07547	3.6
187.11102	3.0
189.12743	44.1
191.14328	29.2
205.12254	8.1
207.13818	64.2
213.09184	4.1
223.13344	3.5
231.05083	3.8
231.13870	6.0
249.14922	4.6
255.10320	4.1
273.14655	4.0
276.13281	5.3
315.15894	4.4
349.13934	5.0
352.25659	2.8
437.18167	9.2
455.18979	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	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
55.01870	4.6
57.03424	3.9
57.07061	2.9
59.05018	1.1
61.02918	3.1
65.03918	1.1
65.82148	0.9
67.05476	1.9
68.99784	2.3
69.03436	32.7
69.07066	2.9
69.64654	5.3
70.06588	3.0
71.04994	3.6
73.01028	0.9
73.02920	4.6
79.05518	2.2
81.03419	25.2
81.07066	2.0
83.01328	0.9
84.08154	0.9
85.02913	30.9
85.06547	5.9
86.06853	2.1
86.09697	7.0
87.00841	14.4
87.04429	1.1
91.03960	1.2
91.05492	15.6
93.07027	3.8
95.04983	4.9
95.08613	3.8
97.02897	13.1
99.04460	7.8
105.01866	8.9
105.07024	7.4
107.04931	2.4
107.08582	4.0
109.02882	19.7
109.06527	17.4
109.10125	1.0
115.03931	1.3
115.05481	1.3
116.06269	1.5
117.01871	3.2
117.07015	3.7
119.08584	20.6
121.10120	2.0
123.04448	1.1
123.08066	6.0
127.03928	27.2
129.01770	1.3
129.07025	6.4
131.04909	1.0
131.08575	37.7
133.06494	4.1
133.10129	2.3
135.08066	27.1
135.08859	0.6
135.11769	1.0
137.05981	2.6
137.74344	0.8
143.08549	3.2
145.04977	8.6
145.08669	5.1
145.10123	4.4
146.08952	2.9
147.02917	1.4
147.08057	39.4
147.11700	3.9
148.08635	1.0
149.09625	3.6
150.10374	1.5
151.07558	98.5
152.07851	1.1
156.09351	7.2
159.02893	11.5
159.11694	1.7
161.09627	3.4
161.13243	2.2
163.11211	6.5
165.12822	1.7
171.11702	18.7
173.13307	1.4
174.10376	1.4
189.12759	100.0
190.13121	2.4
191.09209	2.0
191.14325	33.2
192.09511	1.7
199.18004	1.1
207.13823	21.7
219.20010	1.0
227.17538	3.2
231.04971	3.9
258.13809	1.0
275.20029	1.1
455.07596	1.1
455.22668	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01897	1.0
55.05508	2.6
64.26812	0.9
67.05508	1.4
69.03433	9.1
69.07056	1.7
69.40242	4.4
69.40676	3.1
70.44896	0.8
79.05498	9.4
81.03424	4.3
81.07056	2.2
83.04994	6.8
85.02896	4.2
86.09692	2.2
87.00837	2.2
91.05449	3.8
93.07031	2.1
95.04949	2.4
95.08609	1.7
97.02898	1.7
99.04427	1.0
103.05494	4.9
105.01854	1.1
105.07036	6.6
107.04947	3.1
107.08611	6.5
109.02882	2.4
109.06495	1.4
116.07075	0.9
117.07019	1.6
119.08599	5.8
121.06509	4.9
121.10138	4.3
121.36041	0.9
123.08054	1.6
127.03915	3.5
131.08597	4.3
133.06497	100.0
133.10094	4.4
134.06802	1.3
135.08064	6.4
135.11707	1.2
143.08540	1.8
145.04950	1.0
145.10075	1.4
147.08055	2.2
147.11693	2.7
149.09619	1.0
149.13278	1.6
151.07512	1.1
158.10892	3.3
159.03001	1.4
159.88408	1.0
161.09627	2.2
161.13268	1.6
163.11220	6.1
173.13210	4.7
174.10439	1.1
176.11876	1.3
189.12740	21.0
191.14311	49.9
207.13809	15.7
208.03870	1.0
296.53699	1.0
310.87656	0.9
426.84598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39463	0.9
53.03951	2.1
54.14267	0.9
55.01866	3.0
55.05504	2.2
67.05496	1.6
69.03409	3.0
69.07064	1.7
70.06273	0.7
70.06606	6.4
71.43910	1.4
72.08152	1.6
79.05473	1.9
81.03413	1.7
81.07065	7.1
83.08604	4.5
84.04496	1.1
84.08125	2.1
85.02905	5.1
85.06528	1.2
86.09701	5.3
86.62573	0.8
91.05509	4.2
93.07043	1.4
95.04943	2.5
95.08601	2.3
97.02878	1.7
98.09677	5.4
103.05502	1.0
104.99316	0.9
105.04415	0.9
105.07010	1.0
106.45117	0.9
107.04964	79.2
108.05264	2.5
108.08100	1.0
109.06522	2.0
110.06064	1.2
110.07162	1.2
119.04937	3.7
119.08583	1.8
120.08112	1.7
123.08021	1.4
126.09164	16.7
127.03925	1.0
128.07076	1.1
129.10239	1.3
131.04927	3.6
131.08569	0.9
135.11699	1.1
136.07553	1.2
137.02386	1.2
137.05951	3.0
137.09402	0.9
138.09102	1.3
147.04416	1.5
147.11682	2.2
151.08649	3.6
167.08615	1.1
169.09737	72.6
173.13225	0.9
182.64677	0.9
187.10797	100.0
188.11143	1.6
189.12692	2.0
195.07988	1.2
207.13744	2.9
213.09053	4.6
215.07011	1.2
223.07587	1.3
255.10184	2.5
293.14789	2.8
391.22067	1.1
423.07251	5.8
455.22641	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
55.01847	2.7
55.05513	15.9
57.07066	8.2
67.05502	16.4
69.03417	2.3
69.07070	43.9
71.08616	5.2
71.49125	2.4
77.89834	1.5
79.05493	15.4
81.07055	31.0
83.04971	2.9
83.08622	11.1
85.10181	2.0
91.05484	8.5
93.06557	2.4
93.07046	23.1
95.08605	44.5
96.08855	1.9
97.06512	3.0
97.10159	6.2
103.05465	3.6
105.07032	15.8
107.04961	3.2
107.08577	20.9
109.10164	26.3
111.08050	2.1
111.11703	3.3
117.07008	5.6
117.07800	1.7
119.08590	14.7
120.08845	1.8
121.06505	8.5
121.10155	17.5
123.08086	2.2
123.11690	10.0
125.06129	1.8
129.07030	2.7
131.08556	6.0
133.10120	10.4
133.12772	1.7
135.08026	2.8
135.11699	7.7
137.09550	2.1
137.13182	3.4
143.08585	2.9
144.09384	2.2
145.10106	7.6
145.44038	1.7
147.08058	3.0
147.11674	9.3
149.05972	12.3
149.09598	2.1
149.13287	12.8
157.10095	6.7
159.11681	12.2
161.05981	1.8
161.09628	2.4
161.13257	6.5
163.07545	5.5
163.11171	3.2
163.14810	6.3
171.11713	3.3
173.09544	2.6
173.13257	5.5
175.11147	5.0
175.14827	4.0
177.12733	2.1
185.13176	2.4
187.11180	5.7
187.14799	5.5
189.09097	2.0
189.12718	3.9
189.16409	2.2
191.14323	11.5
191.17984	2.1
197.13348	2.3
199.14844	3.2
203.10695	3.0
203.17839	2.2
205.12221	3.2
215.10617	2.2
217.12228	19.8
217.19427	3.0
219.13867	2.2
221.11446	1.8
229.19487	3.1
243.13846	3.1
274.19208	1.9
328.53992	1.9
369.27859	94.4
370.28137	2.9
409.35165	2.4
410.30557	3.3
419.32993	3.4
437.33887	18.4
438.34552	2.5
455.29312	10.3
455.35056	100.0
456.34811	3.4
456.44025	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	455.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.4
57.07079	52.2
67.05514	35.3
69.07072	76.5
71.08632	20.3
71.49140	9.5
79.05502	17.1
80.88760	5.2
81.07065	76.2
83.04992	5.3
83.08622	34.4
85.10175	38.6
88.07628	6.2
91.05486	19.4
93.07064	43.5
95.08608	95.5
97.10191	14.7
101.45785	7.0
105.07037	34.7
107.08611	62.6
109.10165	78.4
111.07998	9.0
111.11732	24.5
119.08592	52.7
121.10144	61.4
123.11720	37.2
131.08612	15.3
133.10130	27.1
135.11720	39.0
137.13235	12.6
145.10143	22.3
147.11713	31.5
149.13257	34.1
150.34158	6.4
151.14854	7.6
159.11734	18.9
161.13260	29.9
163.14839	22.6
173.13284	18.7
175.14842	22.2
176.81752	5.5
177.16446	17.1
187.14876	20.4
189.16414	28.1
191.17953	26.6
196.72125	5.6
199.14783	7.1
200.20135	19.0
201.16466	21.9
203.17955	8.6
207.17403	11.6
215.18008	13.2
219.21097	8.3
229.19502	15.4
241.19519	7.8
247.20569	8.2
247.24315	15.7
261.25897	6.8
275.27219	9.3
283.26535	13.9
297.25629	8.2
315.26749	10.3
437.41415	55.6
455.36642	6.8
455.42563	100.0
456.44202	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01853	2.5
55.05515	1.6
57.03423	3.2
57.07076	12.3
59.05003	100.0
61.02904	1.9
61.74695	0.9
67.05484	1.3
67.72174	0.9
69.03091	1.3
69.03432	15.4
69.07057	2.4
69.42736	2.6
69.43142	4.3
70.06596	2.1
70.10326	0.9
71.04986	1.8
73.02911	1.8
79.05470	2.8
81.03430	7.5
81.07052	1.1
82.34733	0.8
83.14164	0.9
85.02909	24.4
86.09712	1.1
87.00822	8.6
91.05479	4.1
93.07057	1.4
95.04917	1.1
95.08595	2.0
97.02898	9.5
97.06535	13.3
97.10150	1.4
99.00819	1.3
99.04437	3.5
105.01862	6.0
105.07037	1.5
107.04956	8.8
109.02867	7.6
115.11206	30.5
117.09179	1.4
119.04990	4.5
119.08543	1.9
123.11668	1.9
127.03929	13.0
129.01854	1.4
129.06955	1.0
131.04932	2.2
131.08595	1.0
133.10133	2.1
135.08032	1.2
135.11674	1.7
145.04987	4.6
159.02853	2.6
159.04291	0.9
159.58299	0.9
161.02368	2.8
163.03917	6.5
165.09167	2.5
173.02383	4.7
173.13200	1.6
173.15399	6.2
173.24715	0.9
182.15408	1.0
191.03371	2.4
191.14392	4.1
191.16420	46.9
192.16739	1.0
197.09702	4.8
209.15425	3.0
215.07025	8.5
221.09633	1.2
233.08105	1.5
259.09702	26.5
277.10687	2.7
352.12357	1.4
405.78079	1.0
460.10449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
53.89422	0.7
55.01880	1.2
55.05494	1.0
55.21250	0.8
57.03435	0.8
65.03948	1.7
67.01871	1.1
67.05499	2.2
69.03431	11.1
69.07065	1.7
69.35579	6.7
70.06587	1.1
71.04972	1.7
71.08068	0.7
73.94245	0.7
79.05493	3.2
81.03416	13.6
81.07046	3.5
83.04963	1.4
84.08116	0.8
85.02902	9.7
86.09694	1.1
87.00818	2.6
91.04985	0.8
91.05461	4.4
93.07030	1.7
95.04952	2.8
95.08583	3.9
97.02893	7.3
97.06532	1.7
98.08095	0.7
99.04452	3.0
103.03970	1.0
103.05462	7.7
105.01872	1.1
105.07018	3.1
107.04955	100.0
107.08594	4.0
108.05321	0.8
109.02882	10.3
109.06526	2.3
109.10133	2.5
111.04439	1.7
119.04955	4.8
119.08556	2.3
120.91228	0.8
121.02864	52.4
121.03880	1.7
121.06445	1.1
121.10162	6.1
123.08072	1.3
123.11729	1.9
127.03915	11.5
131.04932	39.0
131.08542	1.4
133.06473	2.0
133.10117	6.7
135.08022	1.9
135.11610	0.8
137.05991	1.1
137.09587	6.6
137.13237	0.8
145.04930	2.3
145.06563	0.9
145.10123	1.0
147.04405	14.4
147.11728	1.3
149.05956	1.4
149.09641	2.4
149.13246	2.8
151.11179	11.2
159.03067	1.8
159.04416	23.5
163.11174	1.0
163.14787	1.0
165.05367	0.8
165.09108	8.6
165.12761	8.1
173.05954	0.8
173.13275	2.3
177.05508	6.5
177.06816	1.2
178.07843	1.3
179.08540	2.5
182.07278	2.0
183.07869	0.9
187.05956	1.7
191.14285	7.9
193.15910	1.5
197.09647	4.8
206.07721	0.8
207.07980	1.4
208.97748	1.0
209.13248	1.1
209.15356	29.1
210.06769	2.6
225.09097	36.3
226.09407	0.9
243.39343	0.8
253.08606	47.7
260.10007	1.6
284.10162	0.8
288.16980	0.9
355.82477	0.9
395.16568	1.2
397.12848	2.4
402.28748	0.8
457.15073	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	457.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03951	3.9
55.01871	1.9
57.03431	0.8
61.86118	0.7
64.03852	0.7
65.03933	2.5
67.01862	1.5
67.05508	1.7
69.03430	13.7
69.07074	1.6
69.37536	1.7
69.37939	5.9
71.04987	1.5
73.02927	1.1
75.40627	0.9
79.05496	2.0
79.11933	0.7
81.02988	1.2
81.03422	12.3
81.07045	1.9
85.02898	8.5
85.06577	0.9
86.09702	2.3
89.35979	0.8
91.05486	10.6
92.72540	0.8
93.07040	1.5
95.04994	2.2
95.08610	1.6
97.02890	9.3
97.06534	1.3
99.00808	2.1
99.04479	3.7
103.05466	6.0
104.90754	0.8
105.07026	3.0
107.04957	46.9
107.08568	1.0
109.02889	8.4
109.10144	1.1
111.04440	3.4
119.04957	10.4
119.08629	1.2
120.65258	0.9
121.02870	100.0
121.10165	1.1
127.03918	10.7
129.07033	1.1
131.04930	57.9
131.08582	1.0
132.05617	1.1
133.06474	2.0
143.08524	1.0
145.10075	1.0
147.04404	12.5
147.11641	0.8
149.06012	1.5
154.07784	1.2
155.08455	1.0
159.04425	22.0
165.09108	2.6
167.08533	1.3
169.10075	1.2
177.05429	2.5
178.07713	2.0
179.08556	4.5
182.07237	3.9
187.06041	1.6
194.07112	0.9
197.09653	14.1
207.08086	2.8
210.06772	4.9
221.09576	1.7
225.09102	59.7
226.09425	1.0
231.08112	1.7
243.04935	1.7
249.09236	1.4
253.08615	17.9
260.09991	1.5
261.06000	1.3
277.08713	1.0
295.09583	2.2
297.07214	0.9
397.12894	1.6
457.15881	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01855	2.4
55.05501	0.7
57.03426	1.6
60.74452	0.5
61.02913	1.2
67.05492	2.3
69.03094	0.7
69.03436	10.2
69.07053	1.8
71.04981	1.6
73.02904	1.6
79.05484	1.4
81.03004	0.6
81.03428	9.1
81.07074	3.3
83.04965	2.4
85.02904	12.1
85.58309	0.5
87.00839	5.4
91.05484	1.4
93.07043	1.7
95.04964	2.0
95.08606	3.7
97.02890	3.6
99.04454	3.0
100.96712	0.5
105.01854	2.8
105.07034	3.2
107.04943	1.0
107.08604	6.4
108.89462	0.5
109.02897	6.3
109.06548	3.8
109.10150	2.5
117.01860	0.5
119.08570	2.6
121.06493	0.9
121.10151	11.1
122.07291	1.7
123.08080	3.1
123.11714	1.5
127.03926	9.3
129.01859	0.7
131.08603	0.6
133.10126	5.4
135.08043	1.9
135.11742	0.8
137.09613	15.2
137.13255	0.6
137.59358	0.5
139.08804	0.5
145.04999	2.8
145.10133	1.1
146.81413	0.5
147.02821	0.7
147.11658	1.2
149.09607	5.1
149.13252	7.3
151.11189	21.5
159.02876	3.7
163.14761	0.8
165.12756	33.8
166.13023	0.8
173.13287	1.8
191.14325	8.2
193.15910	2.0
209.15372	100.0
210.15707	1.8
221.75813	0.6
231.04958	1.3
309.23605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52563	4.3
55.05517	5.1
67.05509	7.0
69.03426	14.3
69.07063	9.9
78.80994	3.2
79.05501	10.2
81.03391	6.5
81.07068	11.5
83.04987	9.9
83.08629	4.0
85.02898	13.3
86.09722	7.6
87.00847	4.8
91.05474	6.6
93.07055	10.7
95.08615	25.1
97.02895	6.8
97.06513	5.1
98.21536	8.7
99.04508	3.8
99.08081	7.1
105.07063	8.5
107.04943	19.1
107.08595	34.9
109.02870	4.7
109.06532	10.0
109.10191	18.4
119.08571	7.4
121.06499	6.6
121.10164	33.3
123.08096	3.9
125.09628	11.5
127.03931	6.9
131.08565	5.3
133.10133	36.6
135.08012	17.2
135.11707	5.4
137.09610	24.2
139.11150	7.0
147.11687	10.8
149.09613	15.9
149.13274	19.6
151.11188	67.9
163.14815	14.5
165.12749	7.6
173.13229	17.0
191.14302	100.0
209.15366	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.3
67.05487	4.4
69.03423	8.8
69.07056	7.6
69.93801	15.2
71.04982	7.3
81.03391	3.9
81.07036	10.3
83.04959	11.6
83.08644	3.2
85.02898	9.1
86.69444	2.9
91.05446	6.4
92.76752	3.1
93.07052	6.1
95.08614	26.5
97.06538	3.3
99.08105	8.3
105.01852	3.6
105.07001	8.9
107.08607	31.5
109.06518	7.4
109.10134	14.9
111.08024	3.6
121.06565	4.1
121.10151	34.5
122.10472	3.9
123.08035	5.7
123.11682	4.3
125.09637	13.4
127.03915	5.3
131.08521	3.8
133.10104	13.9
135.08038	11.8
135.11661	5.0
137.09608	11.5
139.11183	5.9
147.11646	8.2
149.09612	8.0
149.13246	21.7
151.11188	77.7
163.14847	19.2
165.12730	8.8
173.13239	22.5
191.14310	100.0
209.15364	86.3
210.15785	4.6
430.07153	3.5
461.07706	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
60.08099	2.5
61.02891	2.9
67.05505	2.8
69.03098	4.3
69.03436	55.3
69.07046	2.9
73.02921	3.1
79.05470	3.1
79.72353	2.5
81.03394	5.5
81.07037	6.8
83.04996	5.2
83.05831	2.5
85.02897	19.4
85.06518	2.7
87.00819	7.4
91.05478	3.4
93.07040	5.3
95.08595	7.3
96.59918	2.6
97.02895	6.7
97.06519	3.7
98.20663	5.9
99.04476	3.8
105.01851	7.5
105.07014	5.2
107.04942	5.2
107.08593	11.8
109.02879	5.6
109.06489	7.3
109.10136	4.0
111.08052	4.1
121.06561	3.0
121.10137	9.1
123.08034	5.0
123.11706	5.4
125.09637	18.2
127.03915	8.7
131.08546	5.9
133.10132	5.6
135.08041	18.0
135.11703	5.4
137.09659	3.4
145.04933	4.9
145.10106	3.3
147.11571	3.3
149.09584	7.8
149.13295	3.9
153.09100	8.2
158.10913	3.6
163.11154	3.3
163.14833	6.2
165.12807	6.4
168.08577	2.9
173.13255	21.3
191.14316	99.0
194.91917	2.8
209.15381	100.0
231.04921	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39876	2.2
53.03931	2.0
55.05504	3.6
57.03432	2.9
58.81061	2.3
61.64963	2.2
64.82414	2.0
67.05504	6.4
69.03435	16.8
69.07088	10.4
69.49165	4.9
69.49560	10.3
71.04998	3.9
79.05486	5.9
79.15718	2.3
81.03423	10.8
81.07056	10.1
83.04976	9.6
83.08615	2.7
85.02913	13.1
87.00804	2.7
91.05481	8.2
93.07050	6.7
95.08615	20.5
97.02899	5.0
97.06564	4.0
98.21491	4.9
99.04451	3.4
99.08117	4.1
103.91651	2.3
105.07045	12.5
107.04946	7.1
107.08594	34.8
109.02883	7.1
109.06537	6.7
109.10172	16.8
111.08063	3.2
119.04997	2.6
119.08584	5.9
121.06565	3.8
121.10152	33.9
123.08058	6.0
123.11679	2.6
125.09629	9.6
127.03912	10.1
131.08577	6.4
133.10135	44.3
133.11099	2.5
135.08083	12.7
135.11694	3.9
137.09628	28.8
139.11244	4.2
145.04948	2.5
145.10094	2.8
147.11678	8.0
149.09636	10.1
149.13271	17.2
151.11191	73.0
153.09099	3.2
158.10918	6.1
163.14777	13.7
165.09116	3.5
165.12811	5.5
173.13280	15.0
188.27007	2.1
191.14319	100.0
192.14735	2.8
197.09602	3.8
209.15381	58.1
210.15657	3.0
222.66264	2.3
406.61569	2.3
457.20813	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91552	1.3
53.03937	5.7
55.01867	4.5
55.05503	3.8
57.03416	2.8
57.07088	2.1
61.02931	1.7
66.93212	1.2
67.05482	4.9
67.79210	1.5
68.99777	1.8
69.03436	10.9
69.07073	6.4
70.06598	13.1
70.76640	2.8
70.77026	2.5
71.04985	3.6
72.08146	3.0
73.02924	2.2
79.05499	26.2
81.03425	9.7
81.07059	58.9
83.04956	3.7
83.08602	5.6
84.08130	4.0
85.02911	17.0
86.09707	7.7
87.00813	4.4
87.04454	1.6
91.05485	7.5
93.07040	10.6
95.04960	7.4
95.08614	8.5
97.02914	8.6
97.06521	5.2
99.04437	4.3
105.01859	4.0
105.07072	8.0
107.04985	7.9
107.08591	10.3
109.02897	9.8
109.06526	100.0
109.10153	8.4
111.08084	3.7
113.09627	1.5
117.07001	2.2
119.04924	2.1
119.08566	5.0
120.08092	4.4
121.06477	3.8
121.10154	7.1
123.08063	4.4
123.11698	5.3
125.05971	1.4
125.09624	3.1
127.03934	15.3
129.10239	1.9
131.04869	2.8
131.08578	6.0
133.10143	18.5
134.10544	1.3
135.08023	7.7
135.11679	1.9
136.07603	5.4
137.05989	2.7
137.09644	2.3
139.07570	1.5
139.11192	1.8
145.04935	4.4
145.10121	4.1
147.04436	6.8
147.08037	1.8
147.11739	3.5
149.09619	2.7
149.13287	6.9
151.07545	2.3
151.11185	2.0
153.09154	6.4
158.10922	2.0
159.02829	2.7
163.11165	1.5
163.14841	2.0
165.09200	1.7
167.14323	3.7
173.13297	12.1
177.05565	1.8
178.08592	4.6
191.14319	29.7
209.15407	16.9
213.10695	1.5
231.04929	2.2
294.24631	1.4
323.09164	1.4
337.17416	1.6
457.15823	2.7
457.23834	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	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.37041	0.4
55.01862	0.5
55.05499	1.3
57.07078	2.0
63.28616	0.4
67.05500	1.6
67.76089	0.4
69.07062	2.5
70.06601	0.6
71.08625	1.0
79.05494	2.9
81.07045	3.2
83.08620	1.5
88.07629	1.0
90.18359	0.3
91.05462	0.7
93.07034	1.9
95.04987	1.2
95.08618	4.2
97.10192	0.6
102.09200	0.6
105.04517	1.1
105.07029	1.7
107.04956	100.0
107.08595	2.4
108.05268	1.0
109.06529	0.6
109.10159	1.9
111.08059	0.5
119.08580	1.7
121.10141	2.0
123.08068	0.8
123.11689	1.0
131.08611	0.5
133.10135	1.7
135.08086	0.6
135.11717	1.2
137.13260	0.6
145.10129	0.8
147.11681	1.1
149.13297	0.8
159.11713	0.7
161.13240	0.8
163.14790	0.6
167.14267	0.7
171.11697	0.5
177.12785	0.7
179.14287	1.0
189.16339	0.5
200.20100	1.7
201.20425	1.2
230.52716	0.4
283.26239	0.8
284.26660	1.7
329.84851	0.4
333.27896	1.8
349.27362	1.6
351.28943	30.6
352.29160	0.8
421.34909	0.5
432.52481	0.4
439.35687	1.1
457.34766	8.2
457.44147	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	457.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05517	17.5
57.07071	6.2
67.05509	33.7
69.07072	23.8
70.06596	2.7
71.08629	3.4
71.49078	3.5
71.49446	2.4
76.24203	2.9
79.05500	20.8
81.06588	4.7
81.07059	66.1
83.08606	11.9
83.66843	2.4
88.07624	3.5
90.62843	2.2
91.05473	15.9
93.06497	3.3
93.07050	50.2
95.04948	2.7
95.08612	100.0
97.10143	5.7
104.44985	2.6
105.07038	31.9
107.04977	4.3
107.08594	54.5
109.10159	58.7
111.08086	4.3
111.11690	3.5
115.67419	2.5
118.14590	2.6
119.08603	29.6
121.10152	55.6
123.11703	37.1
131.08583	6.1
133.10165	18.2
133.31610	2.7
135.11697	26.6
137.13248	6.6
143.08588	3.2
145.10121	10.0
147.11734	15.9
149.13274	16.4
159.11687	5.9
161.13260	13.1
163.14854	13.0
164.99158	2.5
165.12746	3.2
173.13266	8.3
175.14818	10.6
177.08987	2.4
177.16374	8.4
185.13248	2.5
187.14822	5.1
189.16336	11.2
191.17955	41.2
200.20137	8.1
201.20445	4.8
203.17960	10.3
205.19627	5.5
207.17538	3.4
215.17972	3.8
217.19568	7.4
235.20535	2.4
247.20641	4.3
284.26556	5.7
439.39273	7.1
457.34702	7.2
457.40469	5.2
457.45230	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.1
54.23672	7.3
55.01873	14.6
55.05503	12.4
57.03429	12.7
61.02932	22.7
65.03951	9.9
67.05502	71.4
69.03420	33.6
69.07066	10.8
70.20734	33.8
71.04990	11.0
73.02900	9.8
79.05487	58.3
81.03407	31.5
81.07066	71.8
83.08598	12.9
85.02908	100.0
90.52875	7.7
91.03953	8.9
91.05473	27.0
93.07048	52.5
95.08591	57.5
97.02897	98.7
99.04440	28.3
101.57322	8.3
103.05470	14.4
105.07022	22.5
107.04961	21.9
107.08591	28.7
109.02897	21.7
109.10143	35.7
113.09566	7.5
119.08601	25.3
121.10136	41.3
123.11713	10.7
127.03924	40.5
131.04906	25.5
131.08551	19.2
133.10124	18.8
135.11700	18.7
135.37987	6.7
137.06003	18.8
145.04953	55.3
145.10118	13.4
147.11684	18.1
149.13297	9.5
161.13269	10.0
173.13251	12.9
177.26836	7.4
180.08682	19.6
187.14819	8.3
190.25294	9.2
214.94380	9.5
243.21045	12.8
261.22119	26.4
279.23117	16.1
423.27374	19.0
440.28436	10.5
447.75909	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01867	14.6
55.05507	16.7
57.07077	10.3
67.05507	68.0
69.03435	23.9
69.07078	21.0
69.79254	4.3
71.04993	14.3
72.08150	11.1
73.02911	8.2
79.05495	50.4
81.03416	26.7
81.07053	64.1
83.04984	8.3
83.08608	8.6
85.02896	12.5
88.57761	4.2
91.05485	26.4
93.07053	55.8
95.08613	61.5
97.02297	7.6
97.02892	100.0
97.06513	6.8
98.21640	9.1
99.04454	62.9
105.07016	14.5
106.07397	4.2
107.04962	29.6
107.08589	34.4
109.02880	20.7
109.10171	33.5
111.04499	5.3
117.06986	7.4
119.08586	15.6
120.69104	4.2
120.96657	9.8
121.10160	35.2
123.11741	17.9
123.16665	4.3
127.03933	81.2
131.08542	15.1
133.10147	12.4
135.11681	18.8
137.13246	8.6
145.04971	21.6
145.10136	15.7
147.11670	9.6
149.13252	10.2
159.11650	6.1
161.13350	6.7
163.14854	7.5
173.13176	6.4
175.14827	5.4
187.14790	5.0
187.94409	4.5
226.61012	4.7
235.16414	4.7
261.22180	35.5
338.27786	13.4
352.32144	18.5
423.27475	13.6
429.02081	4.2
458.23102	6.6
458.32510	8.9
459.24899	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	459.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71365	1.2
57.03439	1.2
63.23799	1.0
64.96351	1.1
67.05501	1.2
69.03426	5.5
70.06588	2.5
71.21622	2.3
72.08147	5.6
81.03418	2.5
83.85522	1.1
85.02909	6.4
85.10709	1.1
86.09705	7.1
89.30003	1.1
91.05478	1.6
97.02900	2.8
104.41567	1.5
105.07033	2.4
107.04978	5.7
107.08546	1.4
119.08577	1.9
127.03976	2.2
133.10165	1.4
137.05914	1.5
145.49739	1.2
149.09573	1.8
159.04579	1.3
167.06821	1.9
175.14859	1.9
182.39853	1.5
186.56969	1.2
195.06244	2.2
201.12476	1.2
205.08830	1.2
205.52794	1.4
211.16995	1.4
213.07358	2.8
215.10236	1.4
222.93228	1.2
227.21411	1.3
245.18600	1.9
269.09967	10.8
287.11063	5.4
297.13220	1.9
310.26126	1.2
358.47305	1.2
375.68588	1.3
397.18323	21.9
413.17813	31.0
441.17358	22.6
459.18414	100.0
460.19345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01844	2.1
55.05511	8.1
57.03427	2.8
57.07077	2.0
64.32707	1.8
67.05508	17.7
69.03425	12.0
69.07070	11.2
70.59753	3.8
70.60123	4.2
71.04996	3.7
79.05492	4.1
80.65549	1.6
81.03423	5.6
81.07055	19.4
83.04980	8.5
83.08617	5.4
85.02898	14.6
85.06547	4.4
86.09682	2.6
87.00830	5.8
91.05473	2.9
93.07040	9.8
95.08615	34.5
97.02896	4.1
97.06497	2.3
97.10178	3.4
99.04466	2.8
99.08093	6.1
103.34419	1.8
105.01864	4.7
105.07047	5.6
107.08600	23.0
109.02875	7.0
109.06532	9.0
109.10157	96.0
110.65520	1.6
111.08040	3.4
113.09666	2.4
119.08586	37.6
121.10166	14.3
123.08042	10.7
123.11692	8.6
123.83267	1.7
127.03912	9.2
133.10143	21.1
135.11694	100.0
136.12115	2.5
137.09625	14.8
139.14397	2.5
139.23477	1.6
145.05002	2.7
149.13264	8.0
151.11176	9.0
151.14853	10.3
153.12778	2.0
159.02913	2.2
165.16379	3.3
175.14821	40.8
193.15897	75.0
193.17706	3.6
203.17165	1.9
206.48418	1.7
211.16936	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	459.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04599	1.0
52.85069	0.9
53.03958	1.2
55.05515	3.5
56.40521	1.2
57.03428	2.6
60.40435	1.1
67.05504	5.5
69.03439	7.1
69.07073	2.9
70.06594	23.0
70.58759	0.9
71.04977	1.6
71.15113	1.8
71.15447	1.4
72.08157	1.5
79.05484	3.1
81.03414	2.9
81.07071	6.8
83.04990	3.0
83.08623	2.3
84.04509	3.6
85.02906	14.0
86.09714	2.9
87.00834	4.3
87.54407	1.1
91.05495	2.1
93.07034	5.2
95.04977	1.2
95.08609	15.4
97.02889	2.9
97.06519	2.7
99.04478	1.6
102.05574	1.5
105.01866	2.8
105.07027	3.7
107.04972	2.3
107.08595	6.4
109.02867	3.2
109.06510	2.3
109.10159	24.1
111.08101	9.0
118.06873	9.4
119.08569	14.0
121.10154	7.7
123.08070	10.8
123.11720	5.4
125.09637	2.5
125.40530	1.0
127.03933	6.4
127.11236	1.4
130.06519	2.5
133.10126	12.1
134.84195	1.0
135.08118	1.1
135.11708	13.3
137.09610	23.9
137.10608	1.6
137.13286	1.6
138.10370	3.5
139.11209	1.9
146.30060	1.3
147.11720	2.8
148.06039	2.6
149.13269	4.4
151.11188	2.0
151.14832	1.8
159.09212	2.6
165.12776	3.8
165.16438	1.3
175.14818	23.4
191.14368	2.1
192.14635	2.2
193.15897	19.3
209.15338	2.1
210.15602	1.1
211.16945	100.0
212.17336	1.9
246.12744	1.4
253.43369	1.2
271.53409	1.1
274.12201	2.3
314.66739	1.8
315.89435	1.2
320.84641	1.0
361.99551	1.2
373.19064	1.8
410.90414	1.2
428.06299	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05521	10.3
57.03423	2.4
57.07056	2.4
59.04992	2.7
67.05506	18.1
69.03435	10.8
69.07077	12.0
70.06583	6.3
71.04990	4.3
76.20811	1.8
79.05495	5.1
81.03409	5.6
81.07057	22.2
83.04965	5.3
83.08603	4.9
84.08118	2.0
85.02899	13.6
85.06524	4.3
86.09676	3.0
87.00809	4.9
91.05477	7.5
93.07035	12.1
95.04942	3.8
95.08068	2.8
95.08613	33.5
97.02885	4.9
97.06513	2.9
97.10168	2.5
98.21534	7.2
99.08104	4.2
99.66582	1.6
105.01862	4.2
105.07018	10.9
107.04955	14.4
107.08595	20.5
109.02856	4.5
109.06503	7.5
109.10158	84.8
111.04404	2.2
111.08084	2.5
119.08588	38.8
121.10134	12.6
123.08081	10.0
123.11703	11.5
125.09621	2.3
127.03897	6.4
131.08578	2.1
133.10132	21.5
135.11693	100.0
136.12039	2.1
137.05984	2.8
137.09631	17.7
139.11136	2.5
147.11720	2.8
149.13243	7.1
151.07570	2.0
151.11246	9.0
151.14824	10.0
153.12711	2.5
165.09152	4.3
165.16406	2.0
167.07043	1.7
175.14832	40.9
183.20084	1.8
193.15881	58.2
211.16940	60.4
229.90991	2.2
229.93253	2.4
280.05341	1.8
394.13303	2.0
459.15851	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05521	10.3
57.03423	2.4
57.07056	2.4
59.04992	2.7
67.05506	18.1
69.03435	10.8
69.07077	12.0
70.06583	6.3
71.04990	4.3
76.20811	1.8
79.05495	5.1
81.03409	5.6
81.07057	22.2
83.04965	5.3
83.08603	4.9
84.08118	2.0
85.02899	13.6
85.06524	4.3
86.09676	3.0
87.00809	4.9
91.05477	7.5
93.07035	12.1
95.04942	3.8
95.08068	2.8
95.08613	33.5
97.02885	4.9
97.06513	2.9
97.10168	2.5
98.21534	7.2
99.08104	4.2
99.66582	1.6
105.01862	4.2
105.07018	10.9
107.04955	14.4
107.08595	20.5
109.02856	4.5
109.06503	7.5
109.10158	84.8
111.04404	2.2
111.08084	2.5
119.08588	38.8
121.10134	12.6
123.08081	10.0
123.11703	11.5
125.09621	2.3
127.03897	6.4
131.08578	2.1
133.10132	21.5
135.11693	100.0
136.12039	2.1
137.05984	2.8
137.09631	17.7
139.11136	2.5
147.11720	2.8
149.13243	7.1
151.07570	2.0
151.11246	9.0
151.14824	10.0
153.12711	2.5
165.09152	4.3
165.16406	2.0
167.07043	1.7
175.14832	40.9
183.20084	1.8
193.15881	58.2
211.16940	60.4
229.90991	2.2
229.93253	2.4
280.05341	1.8
394.13303	2.0
459.15851	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
55.01870	13.6
55.05513	73.0
57.03443	8.0
57.07063	1.4
59.04994	2.2
63.14511	1.3
65.03947	4.0
67.05505	56.6
69.03439	9.0
69.07071	21.1
69.66122	9.7
71.05005	3.9
79.05494	56.6
79.05833	1.0
81.03411	6.0
81.07056	52.1
83.04977	5.9
83.08624	27.3
85.02876	1.9
85.06543	3.4
91.05484	49.8
93.03408	2.2
93.07045	34.3
95.04972	7.9
95.08615	19.0
97.06523	2.6
97.09555	3.7
97.10170	55.5
99.08066	2.4
101.09705	1.4
103.05475	28.8
103.55365	1.8
105.03362	3.8
105.07030	33.8
107.04968	12.7
107.08601	30.9
107.09312	2.3
109.06510	4.8
109.10171	14.0
111.08101	3.4
115.05454	14.0
115.73413	1.6
116.06217	3.1
117.07024	67.2
117.07870	3.5
119.04969	1.8
119.08570	20.1
121.06498	5.2
121.10149	6.7
123.08067	5.0
123.11733	2.0
125.09637	52.7
125.10580	2.7
128.06221	8.6
129.07005	31.4
130.07852	2.1
131.04941	9.5
131.08574	44.3
133.06502	11.2
133.10124	10.1
135.08064	11.8
135.11690	2.8
136.86353	1.7
137.09671	3.4
141.06982	18.8
142.07759	5.1
143.04935	2.1
143.08569	19.8
143.10628	2.2
145.06474	16.5
145.10127	15.0
147.08087	3.6
147.11694	4.4
149.09650	5.6
149.13255	1.6
153.06987	5.8
153.09033	7.8
154.07816	4.5
155.08562	24.8
156.09384	2.7
157.06473	6.7
157.10097	10.2
159.08063	8.6
159.11679	8.1
161.09592	2.7
165.07042	4.9
165.09105	5.2
166.07822	2.5
167.07346	1.8
167.08514	10.5
168.09253	2.1
169.10127	18.1
171.08054	5.5
171.10239	5.0
171.11717	10.0
173.09595	3.6
173.13223	3.9
175.11139	3.4
179.08583	4.3
180.09291	1.8
181.06523	3.4
181.10052	7.9
183.08070	3.4
183.11696	6.7
183.25992	1.4
185.09622	4.2
185.13319	4.8
187.11249	3.3
187.14799	19.6
189.11220	31.9
189.30576	1.6
195.08099	2.5
195.11703	7.5
197.09631	4.9
197.13257	22.8
199.11232	2.6
201.12674	2.0
207.11589	2.2
209.09608	3.1
209.13339	5.7
211.11263	3.0
211.14819	3.4
213.12804	8.1
215.14325	100.0
216.14671	1.9
221.13306	3.3
223.11250	4.5
223.14859	3.2
225.12813	2.9
227.12735	26.9
227.14587	2.5
231.13826	4.1
233.15425	4.4
237.12740	4.7
239.14420	3.1
241.12268	6.8
245.13918	2.7
251.14507	2.1
255.13670	1.8
259.13293	2.7
269.15414	4.1
271.16895	8.0
287.16635	2.1
321.22156	3.1
325.21875	1.7
331.20523	3.5
339.23224	5.3
342.52820	1.8
349.21649	20.5
357.00360	1.5
357.24545	2.8
367.22672	49.2
385.23761	26.8
403.24765	6.9
413.27069	1.7
423.25018	3.6
441.20078	3.4
441.26382	72.9
442.26599	1.8
459.27426	92.6
460.28091	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03941	3.6
54.37600	1.1
55.01858	3.9
55.05273	1.4
55.05514	16.9
57.03445	8.2
65.03939	2.7
67.05510	17.5
69.03425	4.9
69.07069	9.4
69.34715	10.9
71.04997	1.4
78.89833	1.1
79.05496	13.1
81.03420	17.0
81.07057	16.4
81.48773	1.3
83.04967	7.7
83.08618	4.6
85.02889	1.6
85.60941	1.2
91.05485	18.9
93.07056	12.5
95.04974	13.8
95.08607	12.9
97.02882	3.2
97.06475	1.4
97.10175	2.0
98.20726	1.5
103.03999	1.1
103.05412	2.5
105.07043	16.9
107.04978	6.4
107.08594	5.4
109.02887	1.6
109.06484	2.7
109.10146	4.3
111.04442	4.3
115.05460	4.1
117.07014	13.4
119.07832	1.4
119.08582	9.1
121.06497	2.8
121.10124	3.9
123.04469	3.2
123.08060	2.1
123.11726	1.3
125.09651	2.8
127.03915	1.3
128.06178	7.3
129.07008	17.5
130.07755	2.7
131.04919	3.2
131.08568	16.8
133.06473	3.6
133.10136	5.6
135.08012	3.2
141.06996	14.3
142.07767	5.7
143.08578	18.9
145.06522	6.7
145.10097	9.5
147.08028	3.4
147.11699	2.5
149.09613	1.9
153.07030	7.2
154.07750	7.1
155.08562	24.8
156.09312	3.4
157.06519	6.1
157.10136	14.0
159.08075	5.0
159.11736	6.3
161.05994	2.0
161.09650	2.3
161.13342	1.4
165.06976	6.2
165.09071	2.6
166.07813	3.7
167.08557	14.7
168.09354	5.3
169.06416	3.3
169.10114	19.7
170.07245	1.6
171.08037	7.3
171.11679	8.8
173.09621	2.8
173.13274	2.5
175.07585	1.6
178.07755	4.0
179.08578	7.9
180.09344	3.1
181.06465	4.4
181.10130	12.3
182.07301	2.7
182.10939	2.5
183.08061	9.4
183.11691	13.7
185.09598	7.1
185.13280	5.7
187.07558	2.2
187.11203	3.4
187.14795	1.7
191.08620	1.7
192.09331	2.0
193.10118	5.8
195.08060	10.4
195.10017	2.1
195.11667	11.4
196.08839	5.4
197.09648	10.6
197.13254	7.8
199.11194	5.6
199.14888	1.9
201.12796	2.3
205.10191	3.5
207.11655	5.2
209.09619	10.0
209.13295	7.3
210.10390	3.4
211.11220	11.1
211.14815	4.2
213.09152	2.7
213.12773	4.1
213.16298	1.8
215.14444	2.1
219.11717	2.3
221.09760	1.6
221.13269	3.2
223.11197	6.8
223.14835	3.1
224.11887	2.2
225.12711	7.4
227.10703	2.1
231.13948	1.6
233.13181	1.7
235.14812	1.9
237.12750	5.7
238.13504	1.5
239.14391	4.0
241.12183	2.2
243.13849	2.9
249.12833	1.6
251.14326	2.9
253.15935	1.6
255.13954	1.9
265.15955	3.1
271.20804	1.6
289.19440	1.5
293.19092	1.6
295.20303	1.6
297.22198	1.6
303.21170	1.4
307.20578	3.8
309.22150	2.0
321.22144	5.6
325.21649	2.9
331.20502	2.8
337.21643	4.2
339.23349	6.9
349.21585	20.6
357.24173	2.9
367.22696	33.5
375.25473	1.5
385.23669	8.6
402.28006	1.4
413.26913	2.3
423.25436	5.7
429.26431	8.1
441.26413	100.0
442.26703	3.4
459.27448	57.2
460.28030	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14324	2.5
53.03934	3.8
55.01861	10.3
55.05515	67.7
55.80164	2.1
57.03423	6.0
58.29836	2.1
64.37035	2.1
67.05184	3.5
67.05508	50.9
69.03413	4.5
69.07071	18.0
71.05006	4.8
71.47980	4.4
75.19840	2.1
77.22964	2.4
77.48283	2.4
79.05495	58.3
81.03415	3.8
81.06593	3.1
81.07056	39.1
83.04971	5.1
83.08616	31.0
85.05706	2.3
85.06543	4.0
91.05486	53.1
93.07044	29.1
95.04957	7.4
95.08623	19.8
97.06509	3.4
97.10177	54.6
99.08111	2.8
103.05473	28.8
103.69675	2.5
105.03407	4.1
105.04566	2.2
105.07027	40.0
107.04945	10.5
107.08589	30.2
109.06519	3.4
109.10161	16.2
111.08083	5.0
115.05443	14.3
117.07024	67.0
119.04931	3.0
119.08590	21.3
121.06512	5.2
121.10191	6.3
123.08031	4.1
123.11768	3.1
125.09638	48.5
128.06229	8.8
129.07013	32.3
131.04921	6.5
131.08568	44.0
133.06480	9.0
133.10118	11.9
135.08040	8.5
137.06020	3.4
141.07027	15.4
143.08578	19.3
145.06509	13.5
145.10130	19.7
147.08006	4.2
147.11729	3.9
149.09618	7.1
153.07011	3.2
153.09117	3.8
154.07739	5.5
155.08589	19.7
155.30267	2.5
156.09402	2.7
157.06462	8.2
157.10123	7.7
159.08047	9.8
159.11714	3.7
163.11188	3.9
165.06921	2.7
165.09129	5.4
167.08563	6.9
168.09444	2.5
169.10130	11.2
171.08006	4.5
171.10284	4.9
171.11723	9.1
173.13213	4.4
178.19685	2.3
181.10139	6.8
183.11708	6.7
185.09689	4.5
185.13222	6.4
187.14857	18.8
189.11230	29.1
193.10143	3.2
195.11746	5.8
197.13231	18.4
199.11191	7.3
207.11929	2.4
211.14874	4.3
213.12743	4.8
215.14320	100.0
223.11227	3.4
225.12912	3.0
227.12723	31.1
227.14589	3.0
233.15425	6.5
235.14905	2.9
241.12157	4.8
245.13873	3.4
255.13753	3.2
259.13174	3.7
269.15610	2.6
271.16965	7.2
273.14893	3.3
287.16342	3.1
321.22134	3.7
339.23239	7.1
349.21677	16.8
367.18234	4.7
367.22604	38.7
367.26666	5.4
385.23776	26.0
403.24631	10.4
423.24976	3.1
441.26346	64.4
459.27393	94.6
459.33920	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	459.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81204	0.8
56.05026	1.6
56.20377	0.7
58.66031	0.8
69.03430	1.0
69.07060	5.7
69.63824	2.4
69.64237	1.5
70.06593	1.1
71.49103	0.9
74.06077	5.4
81.03410	1.2
81.95984	0.7
85.02901	1.3
86.09709	100.0
91.05457	0.8
99.05618	0.7
107.04959	4.2
107.08557	1.1
109.10140	1.0
116.07066	1.0
121.10121	0.9
126.05510	6.1
127.03983	1.2
132.10220	6.2
133.10147	1.0
135.11674	1.3
137.09622	0.9
146.32005	0.9
151.11188	1.0
157.13348	3.3
175.14801	0.7
185.12848	4.1
193.15874	1.2
195.11385	1.5
203.13945	6.8
211.14529	1.1
239.13911	22.5
250.44170	0.9
257.14960	15.4
258.14981	0.9
295.89142	0.8
308.85550	0.8
316.22208	1.3
328.18814	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	459.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03949	1.6
53.25451	0.3
55.05507	1.0
62.53514	0.3
66.62274	0.3
67.05498	1.4
69.07068	1.2
71.49306	0.6
77.03940	0.5
79.05504	2.3
80.95563	0.3
81.03381	0.3
81.07059	1.8
89.06099	0.4
90.37050	0.3
91.05471	0.8
93.07043	1.6
95.04967	1.6
95.08606	1.7
105.07052	0.8
107.04962	100.0
107.08598	1.0
108.05317	0.5
109.06512	0.8
109.10159	1.0
119.08583	0.8
121.10143	0.8
126.48480	0.4
135.11739	0.5
147.11739	0.6
149.13313	0.5
151.07565	1.7
157.10085	0.4
165.12788	1.2
173.13214	0.4
191.10635	0.4
219.38847	0.4
291.23193	3.4
309.22400	0.6
319.76907	0.4
351.25443	1.1
353.26874	11.2
459.33249	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	459.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01868	2.3
55.05518	12.5
57.03437	2.4
57.07082	5.8
59.04994	0.8
62.97029	0.9
65.03939	1.0
65.11266	1.0
67.05511	15.4
69.03426	0.9
69.07077	19.5
70.54771	1.1
70.55103	2.4
71.04974	1.6
71.08628	3.6
79.05496	6.3
81.07064	19.8
83.04975	1.7
83.08628	6.9
85.06535	1.9
85.10162	1.2
89.06042	1.9
91.05492	5.1
93.07050	13.0
95.04967	1.9
95.08611	28.6
97.06512	1.5
97.10169	4.6
99.04467	2.3
99.08058	1.6
105.07011	5.7
107.04953	2.6
107.08578	10.7
109.06538	2.2
109.10158	11.8
111.08052	2.0
111.11717	2.5
111.84692	0.8
117.07027	1.7
119.08583	7.6
119.77715	0.8
120.96651	10.6
121.10126	10.6
122.07336	1.4
123.08071	1.8
123.11721	6.7
125.06018	1.8
127.03915	2.0
131.08565	3.0
133.10110	4.3
135.08092	3.3
135.11690	9.2
137.05977	5.2
137.09615	9.2
137.13274	1.3
139.11229	1.4
143.08553	1.3
145.10146	3.0
147.11710	3.6
149.09630	8.7
149.13274	4.1
151.07552	3.0
157.10138	2.5
159.11688	3.1
161.09613	1.2
161.13287	1.7
163.07527	1.2
163.11212	3.3
163.14832	2.6
165.09117	100.0
167.07016	0.9
171.08087	1.2
173.09634	1.9
173.13213	1.5
175.11200	3.8
175.14868	1.7
177.09135	3.4
177.12724	2.0
177.16422	1.1
179.10701	1.0
181.12276	3.2
183.06618	1.4
183.11641	1.1
185.13283	0.9
187.11220	1.9
187.14891	1.5
189.09131	3.1
189.12766	1.6
190.09856	1.1
191.10707	3.1
199.11215	2.5
201.12756	1.1
203.10675	22.2
203.14342	1.0
205.12257	18.5
213.12794	2.1
216.11577	0.9
217.12279	3.5
219.13716	1.4
227.14182	1.0
231.13760	1.0
250.39194	0.9
265.25354	1.3
269.19070	0.9
273.25925	1.2
289.25479	1.0
301.18173	0.9
311.20099	2.0
329.21219	4.8
339.28915	14.9
340.29224	1.3
361.27075	2.2
399.32492	6.8
413.30374	1.0
423.32513	2.4
441.33530	7.8
459.24545	7.0
459.34674	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	460.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01862	0.2
55.05508	0.3
56.05013	0.2
57.75321	0.2
60.04519	0.2
61.02925	0.3
65.03943	0.6
69.03421	0.9
69.85406	0.5
69.85807	0.4
70.06594	0.7
72.08163	2.2
72.23669	0.2
79.99197	0.2
81.03413	0.3
84.04493	0.4
84.08160	1.0
85.02915	2.3
86.09698	2.5
91.03986	0.2
91.05484	6.7
95.21886	0.2
97.02879	0.9
102.05530	0.5
107.04960	4.1
109.02879	0.4
116.62006	0.2
119.04949	18.6
120.05216	0.3
127.03908	0.6
129.10233	1.0
136.06181	0.2
136.07610	0.3
145.04973	0.7
145.06102	0.2
147.04416	100.0
148.04771	1.4
148.61855	0.2
173.09277	0.2
178.03271	0.4
183.11273	0.3
196.04306	0.6
201.12344	0.2
228.13501	0.2
242.11667	0.2
260.15887	0.2
281.05981	0.7
299.06998	0.3
309.09665	0.2
350.02209	0.2
402.54181	0.2
418.37671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25303	1.2
52.46663	1.2
53.03947	10.4
55.01875	11.4
57.03436	6.6
60.04520	2.4
61.02913	6.2
68.99772	4.3
69.03432	33.3
70.06577	1.5
71.04984	5.4
71.48528	2.0
73.02917	6.9
74.81744	1.4
79.05497	2.1
81.03421	34.3
85.02907	85.2
87.00835	34.3
91.03947	3.5
91.05461	1.6
97.02895	29.9
99.04451	19.4
103.05454	8.5
105.01212	2.2
105.01871	30.7
105.07004	3.4
107.04961	19.0
108.04485	11.5
109.02880	35.3
109.10171	1.7
117.01845	4.3
121.70003	1.4
124.82503	1.3
126.05511	4.8
127.03922	59.8
129.01822	5.1
131.04878	2.8
135.08061	7.3
139.03922	2.8
145.04958	25.3
147.02852	1.7
154.06255	32.5
159.02895	19.5
163.07532	31.2
180.07761	2.6
189.04034	1.7
195.10175	100.0
200.12816	3.7
207.10217	1.5
213.03891	3.6
230.06563	1.8
231.05022	11.7
248.07520	6.4
266.08698	2.4
362.18222	2.4
396.69400	1.6
407.24423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.8
51.68490	1.3
53.03942	4.1
55.01854	1.5
55.05513	7.9
57.03440	1.7
57.07061	2.3
66.94431	1.5
67.05497	10.4
69.03434	8.3
69.07077	12.2
69.25319	7.8
69.25742	5.9
71.00768	1.7
71.04979	2.7
79.05496	11.2
81.03424	3.7
81.07063	21.4
83.04965	3.0
83.08617	4.9
85.02895	4.9
85.06558	2.0
87.00821	1.7
88.50177	1.5
91.05496	12.3
93.07051	10.5
95.04969	4.9
95.08604	16.6
97.02859	2.0
97.06548	3.6
97.10152	3.2
99.04482	2.2
101.41510	1.6
102.04736	1.7
103.05495	3.5
105.04528	1.9
105.07048	11.6
107.04961	100.0
107.08589	10.3
109.06525	3.8
109.10147	10.2
117.07047	3.9
119.04949	6.6
119.08603	8.7
121.02850	1.6
121.06542	8.1
121.10169	5.4
123.04464	1.9
123.08051	2.6
123.11707	5.7
125.09656	1.9
127.03922	3.9
128.06236	1.7
129.07031	3.2
129.96109	1.6
131.04947	8.6
131.08575	6.3
133.06480	5.5
133.10141	3.6
135.08018	2.5
135.11671	2.4
137.05995	6.8
137.09683	3.2
141.06958	1.8
143.08588	2.2
145.06503	6.4
145.10089	5.9
147.04433	2.6
147.11723	2.5
149.05984	2.1
149.09682	3.8
149.13257	2.3
151.07521	2.0
153.12762	1.7
155.08472	2.3
157.06459	3.2
157.10164	4.1
159.08087	5.7
159.11694	5.6
161.05942	4.3
161.13278	2.4
165.06943	2.6
165.09148	14.1
165.90073	2.0
167.07074	1.6
169.08632	2.1
169.10051	2.4
171.08054	4.5
171.11642	3.2
173.09648	8.6
177.05405	2.0
179.08545	2.5
183.08080	5.6
185.09637	6.0
187.07668	1.9
187.11263	7.7
189.12741	2.3
191.10713	2.9
193.10243	2.4
197.09634	4.6
199.11197	3.7
201.05339	2.5
205.04982	4.6
205.12204	4.7
209.09593	1.8
211.07594	3.1
211.11227	2.1
213.09126	13.7
213.12793	2.2
215.10672	7.1
225.09125	1.8
227.10730	3.0
233.11742	6.4
239.10674	4.1
275.00308	1.7
293.15268	3.8
299.09070	1.6
303.26950	1.8
311.16681	1.8
321.14856	3.2
355.12936	2.1
357.16510	2.5
369.24197	2.7
425.33957	2.2
429.13397	3.5
461.15942	3.8
461.29163	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	461.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
54.63816	2.8
55.01870	9.2
55.05508	29.2
57.03428	7.8
57.07087	4.0
65.03941	5.4
67.05508	37.2
67.32346	3.0
69.03427	5.0
69.07062	26.2
71.04998	4.7
71.47832	4.1
79.05492	37.9
81.03419	12.2
81.07062	59.1
83.05001	16.4
83.08633	16.8
85.02933	4.7
85.06519	4.9
91.05484	45.9
93.07047	46.2
95.04976	17.1
95.08611	39.7
97.02892	4.7
97.06521	9.0
97.10175	8.7
99.04501	4.3
103.05428	3.7
105.07037	40.4
107.04959	100.0
107.08600	24.4
109.06517	8.7
109.10151	19.6
111.08114	3.7
111.11692	3.1
113.06050	3.3
115.05528	4.6
117.07030	19.1
119.05004	4.4
119.08583	23.6
121.06480	20.0
121.10169	16.2
123.04418	4.4
123.08047	10.8
123.11714	9.7
127.03961	4.1
128.06247	4.4
129.07027	16.1
131.04950	9.9
131.08582	27.0
133.06516	14.3
133.10162	17.2
135.08055	10.8
135.11678	6.1
137.05951	5.2
137.09644	14.3
137.13235	4.9
139.07567	12.3
141.07022	4.2
142.07828	4.5
143.08575	13.2
145.06502	9.1
145.10126	15.7
147.08005	5.8
147.11664	5.1
149.09583	5.6
149.13240	6.9
151.03931	3.2
151.07544	7.3
151.11215	4.2
155.08603	8.3
157.06487	6.5
157.10124	12.9
159.08073	12.5
159.11710	9.1
161.09665	7.2
161.13289	5.3
163.07513	3.4
163.11238	4.6
165.07004	3.7
165.09161	27.5
167.08543	3.7
169.08682	6.2
169.10161	6.7
171.08041	5.6
171.11703	10.2
173.09633	9.1
173.13277	6.7
179.08551	3.9
181.08611	4.2
181.10147	3.9
183.08096	9.2
183.11685	5.5
185.09612	5.4
185.13222	5.8
187.11195	7.7
191.10710	5.3
193.10175	4.6
193.12231	4.7
195.11784	4.4
197.09616	13.6
199.11151	3.8
199.14893	4.1
205.08574	4.9
205.12019	5.3
211.11215	5.6
213.09157	6.3
215.10782	6.5
217.15794	3.6
233.11618	5.7
260.02921	3.0
293.15402	8.5
311.16403	10.1
321.14838	9.4
339.15909	5.3
341.24762	5.7
351.23184	10.1
367.60886	3.5
369.24255	22.0
387.25223	11.8
443.27914	24.3
443.34985	8.8
445.08237	3.1
461.28830	39.9
461.35928	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13428	8.0
55.05502	16.3
57.03430	15.0
58.28084	11.8
67.05486	28.8
69.03422	11.1
69.07056	17.5
69.29880	35.7
69.30301	49.5
73.51804	8.6
79.05490	40.2
81.03397	28.5
81.07046	48.0
83.04998	18.3
86.33550	10.8
88.32029	13.4
91.05474	41.6
93.07034	38.5
95.04984	17.3
95.08607	28.2
98.21543	15.8
105.07025	36.3
107.04978	69.8
107.08580	20.3
109.02864	15.0
109.10188	14.8
119.08585	19.7
121.06531	16.6
127.03934	12.8
129.07007	13.8
133.10135	10.3
135.11740	13.0
145.10138	18.8
147.11688	17.4
161.13181	9.9
165.09077	20.2
171.11673	13.3
207.13797	16.3
211.88197	10.7
281.17517	100.0
407.69861	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63313	1.7
53.03949	17.9
53.42701	1.9
55.01870	15.6
55.05513	22.9
56.77775	1.8
57.03437	13.9
57.07059	7.9
59.04986	4.0
61.02913	7.4
61.99634	1.8
67.05500	11.5
68.99769	6.5
69.03432	66.1
69.07071	45.1
69.22308	18.3
70.06578	2.1
71.04992	11.5
73.02921	12.8
79.05472	5.9
81.03422	65.5
81.07059	32.5
83.04984	14.3
83.08591	6.9
84.08155	2.6
85.02909	100.0
85.06538	17.9
87.00320	2.7
87.00829	43.0
91.03957	3.7
91.05478	4.4
93.07047	14.8
95.08608	36.8
97.02898	35.1
97.06527	7.9
97.10170	13.0
99.04455	22.1
99.08096	29.4
103.05447	4.9
105.01868	25.8
105.07062	3.0
107.04948	3.0
107.08587	25.3
109.02885	64.0
109.10139	14.5
111.11714	12.0
113.09647	11.7
115.03947	3.2
117.01856	8.8
119.08583	3.9
121.10144	28.7
123.11708	11.7
125.09637	11.8
127.03922	99.0
129.00920	1.9
129.01808	9.7
131.04930	9.2
133.10156	2.4
135.11734	17.4
137.13269	13.9
139.11153	9.0
145.04961	27.6
147.02882	6.5
149.13266	4.3
151.14819	7.1
153.12756	18.9
159.02910	30.4
159.11656	2.1
163.07549	2.8
170.42365	1.8
175.14761	3.0
177.16393	73.3
178.16797	2.6
189.03993	2.6
195.17455	73.4
213.03864	3.0
213.18504	49.7
231.05003	20.7
237.18550	2.7
384.01810	2.5
461.24295	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	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.2
55.01872	17.0
55.05267	2.6
55.05513	30.1
57.03450	12.1
57.07071	4.7
59.05003	3.2
61.02920	7.5
67.04605	2.1
67.05507	10.9
68.99770	7.2
69.03431	62.0
69.07070	52.6
69.42519	11.4
70.06575	3.6
71.04987	14.9
73.02911	10.4
74.06113	2.2
79.05479	5.2
81.03422	58.7
81.07058	32.6
83.00239	1.9
83.04982	12.5
83.08620	10.7
84.08124	1.7
85.02909	100.0
85.06536	22.7
86.09708	21.4
87.00829	40.3
87.04497	2.5
87.10033	4.5
91.03931	2.8
91.05492	5.4
93.07064	14.2
95.08609	43.3
97.02898	30.5
97.03502	1.6
97.06525	10.1
97.10170	15.2
99.04457	23.2
99.08095	34.4
103.03946	2.5
105.01875	27.3
105.06995	4.4
106.47156	2.0
107.04938	12.2
107.08604	27.2
107.79920	2.0
109.02889	50.5
109.06500	2.3
109.10156	16.6
111.08066	5.8
111.11707	11.5
113.09656	14.7
115.03989	2.5
115.33463	2.3
117.01846	5.1
117.05470	1.9
119.08592	4.4
121.10155	34.5
123.08121	3.0
123.11707	11.5
125.09630	12.9
127.02976	4.7
127.03922	92.7
127.11167	3.0
129.01839	6.9
131.04903	2.0
133.10144	2.9
135.11711	17.9
137.05988	3.1
137.13252	23.0
139.11270	9.3
145.04961	34.1
147.02879	5.4
147.11693	2.3
149.13306	7.4
151.14868	4.8
153.12762	25.5
159.02919	29.2
161.13268	2.9
177.16393	70.7
189.03902	2.1
195.17453	89.6
213.03952	3.9
213.15143	2.8
213.18512	62.7
227.06631	2.3
231.05014	21.4
309.70798	2.3
461.14990	2.4
461.18164	2.1
461.23856	17.2
461.30640	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.9
54.90814	1.6
55.01863	7.6
55.05512	26.0
57.03442	19.0
57.07062	2.5
64.50270	1.4
65.03955	2.1
67.05505	59.5
69.03447	12.8
69.07076	18.4
69.34793	14.5
71.01369	2.5
71.04998	7.8
73.02901	2.3
74.02264	1.4
79.05495	47.3
81.03420	26.7
81.07059	57.0
83.04968	10.1
83.08632	10.1
85.06539	4.1
85.96039	1.5
91.05485	45.6
93.07047	45.2
95.01325	12.7
95.04977	14.9
95.08620	38.5
97.02901	23.3
97.06542	6.6
97.10177	3.2
98.20825	3.6
99.04448	6.2
103.03938	2.6
103.05465	3.7
105.07036	39.9
107.04948	12.7
107.08588	21.4
109.02866	5.3
109.06553	8.0
109.10155	15.4
111.04443	9.0
111.08068	2.8
112.00371	1.7
115.03962	1.9
115.05463	5.7
117.07023	25.5
119.04870	2.1
119.08588	31.5
121.06519	7.4
121.10143	21.0
123.04402	9.2
123.08081	6.1
123.11700	5.4
125.09649	3.1
127.03923	2.6
128.06259	9.6
129.05527	2.7
129.07008	22.8
130.07780	2.1
131.04962	3.6
131.08580	32.6
133.06509	8.9
133.10150	23.7
135.04402	2.6
135.08072	5.9
135.11678	10.9
137.05984	4.6
137.09627	5.1
139.11191	2.4
141.07019	8.7
142.07771	6.4
143.08580	17.8
145.06509	10.5
145.10118	24.1
147.04420	1.8
147.08026	10.9
147.11688	14.7
149.06003	4.1
149.09628	6.3
149.13274	6.2
153.07034	2.3
154.07748	3.5
155.08560	12.4
156.09384	3.3
157.06520	5.5
157.10127	16.6
159.08067	10.4
159.11703	19.2
161.06001	6.9
161.09660	7.7
161.13225	10.3
163.11256	1.9
165.07014	3.0
165.09111	3.3
167.08554	4.4
168.09381	2.5
169.06435	2.4
169.10136	11.2
171.08066	8.5
171.11714	16.8
173.09628	6.9
173.13242	8.9
175.07573	11.0
175.11261	5.9
175.14816	4.6
177.12717	2.3
179.08624	2.2
181.10172	6.0
183.06551	3.9
183.08090	5.1
183.11685	11.9
184.08841	1.9
184.62035	1.9
185.09645	6.8
185.13303	11.7
187.07533	2.6
187.11162	8.7
187.14839	4.0
189.09088	3.1
189.12817	2.5
193.10179	2.2
195.11739	5.5
197.09631	4.7
197.13313	6.1
199.11182	7.3
199.14845	5.7
201.09151	3.2
201.12779	4.2
204.11629	1.7
209.13280	5.1
211.11194	3.9
211.14862	4.0
213.12863	4.6
213.16411	2.7
215.14410	3.1
217.12334	2.0
223.14835	2.5
225.12779	6.7
225.16455	1.9
227.14401	5.5
229.12230	2.8
231.13846	2.3
239.14404	4.0
243.13901	2.2
243.21184	2.9
255.17790	2.2
257.15704	2.4
259.20636	8.5
271.16998	3.0
271.20502	2.9
273.21957	2.0
283.20615	2.2
285.22055	2.5
297.22226	4.2
299.20380	1.9
299.23654	3.8
301.18161	2.5
309.22183	2.3
315.23383	2.6
323.23672	3.8
325.21613	2.9
327.23215	9.9
333.22232	3.0
335.26013	10.3
341.24826	10.0
345.24286	2.8
351.23038	16.4
359.25919	2.0
369.24313	45.2
370.24664	2.4
387.25299	13.4
401.26547	1.8
415.28589	3.0
425.26859	5.0
443.27957	49.2
461.29010	100.0
462.29355	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	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
54.47812	2.9
55.01867	15.3
55.05513	45.6
57.03428	10.0
65.03942	9.5
67.05508	86.5
69.07076	33.4
70.74225	10.9
71.04978	8.3
77.03936	5.0
79.05494	80.3
79.60052	3.7
80.93577	3.2
81.03402	3.2
81.07056	77.6
83.04975	6.0
83.08614	19.6
85.06547	5.8
85.91974	3.2
91.05486	100.0
93.07045	67.1
93.11885	4.5
95.04980	12.9
95.08610	49.5
97.06509	10.1
97.10153	7.5
99.08134	3.7
103.05411	7.6
105.07031	77.7
107.04940	29.4
107.08595	31.9
109.06517	12.4
109.10162	24.7
111.08076	8.7
115.05465	11.0
117.07024	57.7
119.08598	42.5
121.06541	16.9
121.10141	17.6
123.08070	6.1
125.09672	8.8
128.06221	17.1
129.07008	71.9
131.08571	77.7
133.06517	7.1
133.10158	27.4
135.08061	9.5
135.11719	15.8
137.09645	6.9
141.06978	33.3
142.07790	6.6
143.08557	59.5
145.06526	18.6
145.10146	49.7
147.08081	11.2
147.11678	13.2
149.09608	10.4
149.13229	4.4
153.06969	9.4
154.07813	5.7
155.08556	46.0
157.06496	5.4
157.10130	32.8
159.08075	13.8
159.11702	24.6
161.09676	4.3
161.13237	4.8
161.38319	3.7
163.11142	5.3
165.06984	7.5
167.08606	13.5
168.09351	5.9
169.10104	26.7
169.66631	4.4
171.08038	8.7
171.11705	16.1
173.09592	7.2
173.13239	5.1
175.11200	5.5
177.12807	5.2
179.08566	11.2
181.10077	23.4
183.08128	5.5
183.11705	19.7
185.09703	7.7
185.13269	14.7
187.11185	5.9
187.14815	4.6
193.10136	8.2
195.11668	19.3
197.13251	10.4
199.11026	5.1
199.14847	8.0
201.12769	10.3
203.12735	5.2
205.10275	4.6
205.12135	8.1
207.11752	9.4
209.13243	12.4
211.14836	10.4
213.12807	4.7
213.16444	4.6
215.10828	3.8
215.14357	20.2
219.11746	3.6
221.13263	13.5
223.14864	13.5
225.12738	5.7
225.16365	4.4
229.16096	4.7
231.17438	7.7
233.13329	4.7
235.14839	9.3
239.14198	6.3
243.13792	6.0
245.15384	4.4
253.15854	7.7
257.15332	7.2
259.17145	4.5
271.16992	7.6
285.18576	6.2
315.20883	5.0
323.23663	13.5
333.22220	19.7
341.24689	14.6
351.23230	68.0
369.24277	47.1
387.25449	20.7
415.28354	7.1
425.26917	6.7
433.30066	4.5
443.27899	72.3
444.28381	4.7
461.29010	65.4
462.76651	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01863	4.2
55.05517	22.1
57.03445	11.0
57.07072	4.4
58.79608	1.7
67.05506	48.9
69.03430	12.8
69.07073	19.5
69.54539	5.9
69.54967	5.3
71.01368	2.1
71.04997	5.7
79.05498	41.4
80.14817	1.7
81.03422	29.6
81.07058	49.5
83.04995	9.1
83.08624	9.4
85.06547	2.6
85.78518	1.9
91.05482	41.7
93.07051	38.9
93.81407	1.6
95.01318	11.2
95.04972	14.8
95.08613	35.3
97.02904	16.8
97.06521	5.2
97.10144	4.7
99.04456	4.2
103.03974	3.0
103.05504	2.6
105.07040	36.6
105.07700	3.1
107.04979	9.6
107.08608	23.6
109.02882	4.2
109.06525	5.4
109.10172	15.8
111.04446	5.8
111.08093	2.2
115.05457	5.4
117.07027	22.1
119.04908	2.6
119.08589	24.4
121.06514	7.1
121.10149	17.4
123.04446	5.9
123.08076	2.8
123.11753	3.6
125.09660	3.3
128.06226	5.1
129.06998	18.1
131.04971	2.3
131.08572	30.9
133.06511	8.0
133.10124	17.3
135.04437	3.2
135.08057	3.0
135.11734	9.0
137.06001	5.6
141.07025	6.7
142.07796	4.9
143.08557	19.0
145.06488	10.2
145.10124	21.5
147.04578	1.7
147.08069	6.7
147.11682	12.4
149.06004	3.9
149.09641	4.4
149.13255	4.8
151.07597	1.9
153.06961	2.3
154.07811	3.8
155.08565	11.9
157.06551	3.2
157.10141	14.4
159.08086	8.1
159.11653	16.6
161.06029	3.7
161.09612	5.5
161.13287	8.1
163.11156	2.8
163.14783	2.0
165.09161	2.5
167.08614	5.0
168.09456	2.0
169.06441	2.1
169.10071	9.4
171.08087	7.4
171.11681	11.9
173.09631	3.4
173.13289	7.8
175.07584	6.6
175.11185	5.8
175.14874	4.5
177.09204	2.7
177.12695	2.7
179.08514	2.4
181.10121	6.0
183.08080	3.1
183.11676	9.9
185.09602	9.1
185.13307	8.1
187.07584	2.5
187.11203	6.4
187.14789	4.6
189.09163	4.0
189.12747	3.7
191.10754	2.1
193.10168	2.6
193.12236	3.4
195.11760	5.3
197.09628	2.8
197.13310	7.2
199.11215	4.9
199.14859	4.7
201.09097	2.2
201.12746	3.7
201.16330	2.8
203.10666	3.4
205.12259	2.5
207.11656	2.2
209.13275	4.1
211.11221	3.4
211.14877	5.1
213.12836	6.5
213.16428	3.0
219.13866	2.1
225.12686	3.5
227.14355	3.6
231.14044	1.8
239.14143	2.5
241.15778	2.1
241.19516	3.3
249.14615	1.9
259.20566	5.1
273.22049	2.8
297.22180	2.2
315.23270	2.7
323.23401	2.8
325.21649	2.5
327.23233	9.8
333.22107	2.9
335.25955	12.6
341.24881	11.0
345.24310	2.7
351.23172	13.4
357.24231	1.9
359.25894	2.3
369.24240	40.1
387.25439	10.1
415.28522	2.5
425.26974	5.6
443.27930	40.4
461.29016	100.0
462.29080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.9
53.03935	7.2
55.01866	10.0
55.05275	3.2
55.05514	41.5
56.06999	2.1
57.03432	11.2
57.07061	5.2
65.03927	5.7
67.05506	88.1
67.87784	1.8
69.03424	2.6
69.07067	37.4
70.57452	5.7
71.04987	4.9
71.08617	1.9
72.18091	1.8
73.06574	2.6
79.05495	75.4
81.03410	5.5
81.07059	84.4
83.04986	17.3
83.08623	21.7
85.02887	1.9
85.06527	7.8
91.05482	100.0
93.07046	71.5
95.04963	16.9
95.08611	57.5
97.06513	9.2
97.10167	10.7
98.21378	2.7
99.08090	4.6
103.05453	8.3
105.04494	5.4
105.07037	68.6
107.04961	25.9
107.08591	38.7
107.26299	2.0
109.06524	13.5
109.10163	26.7
111.08068	10.4
111.11678	2.4
115.05445	10.5
116.06277	2.6
117.06241	3.4
117.07024	56.3
119.04939	3.9
119.08580	40.9
121.06510	21.6
121.10150	22.2
123.04372	2.9
123.08053	9.2
123.11691	10.0
125.09619	7.4
128.06218	18.7
129.07011	54.8
131.04919	4.8
131.08571	73.0
133.06493	13.9
133.10123	25.6
135.08078	13.5
135.11705	10.0
137.05991	3.7
137.09604	8.3
137.13271	2.6
139.07549	15.5
141.07007	21.5
142.07758	7.6
143.07507	3.8
143.08571	52.0
144.09343	2.5
145.06493	16.3
145.10136	35.6
147.08000	11.6
147.11696	13.2
149.09642	12.3
149.13228	6.2
151.07570	4.3
151.11166	3.4
153.06937	5.0
154.07736	2.4
155.06026	2.3
155.08539	33.8
156.09418	2.3
157.06548	5.1
157.10124	28.0
159.08078	9.5
159.11697	20.0
161.09605	6.1
161.13275	6.9
163.07538	3.6
163.11148	7.1
165.06979	3.6
165.09071	11.3
166.07794	4.1
167.08582	10.8
168.09323	3.3
169.08604	4.7
169.10121	23.6
171.08022	6.6
171.11717	18.5
173.09628	7.9
173.13249	6.4
175.11153	7.3
175.14828	2.6
177.09122	3.9
177.12709	6.7
178.07706	1.9
179.08525	5.0
180.09259	2.3
181.08633	3.5
181.10062	18.1
182.10770	3.2
183.08084	3.2
183.10214	2.5
183.11714	16.8
185.09627	7.9
185.13235	15.8
187.11172	5.2
187.14755	3.3
189.12724	3.5
191.10675	4.3
193.10150	7.5
193.12076	3.0
195.11754	13.4
197.09612	4.5
197.13231	12.0
199.11205	5.9
199.14774	9.4
201.12762	6.2
203.14310	5.3
205.12184	2.6
207.11668	6.8
207.13660	2.2
209.13231	7.1
211.11182	5.5
211.14719	7.4
213.12842	9.9
213.16393	3.2
215.14374	11.1
217.15990	4.1
219.13753	2.8
221.13376	9.6
223.14795	9.5
225.12674	5.7
225.16370	6.1
227.14386	4.4
229.15970	4.1
231.13797	4.3
231.17415	2.7
233.15416	3.3
235.14780	6.0
237.12617	2.5
239.14342	8.7
241.15938	4.1
243.17480	2.4
245.15390	5.2
249.14534	2.3
251.14244	3.1
253.15898	4.2
257.15335	6.2
257.18985	2.2
259.16931	4.6
267.17340	3.0
271.16919	7.2
273.18600	3.0
285.18451	4.4
305.22476	3.8
323.23563	11.4
333.21964	11.3
341.24817	20.0
351.23215	54.8
359.25696	3.6
369.24274	85.2
370.24445	3.5
379.26810	2.4
387.25250	41.8
415.28308	3.6
425.26767	5.8
443.28018	76.2
443.35034	9.3
444.28381	3.2
461.28842	75.5
461.36078	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	461.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01864	3.2
55.05504	12.3
57.03435	19.3
57.07076	46.7
61.02927	60.6
67.05507	37.4
69.03430	25.3
69.07072	22.0
70.04491	1.6
71.01348	1.6
71.04990	3.1
71.08628	36.1
71.48640	1.9
73.02913	26.2
75.04472	2.6
76.30984	1.6
79.05492	12.7
81.03417	20.4
81.07059	52.3
82.06562	1.9
83.01336	1.9
83.04965	3.1
83.08626	13.1
85.02906	57.0
85.10183	21.0
87.04438	3.1
91.03953	34.1
91.05477	6.2
93.07043	9.7
95.04951	1.7
95.08607	66.7
97.02888	47.0
97.06508	3.0
97.10161	5.4
99.04454	8.2
101.02373	10.7
101.23895	1.4
103.03932	8.4
105.07010	6.2
107.04955	21.1
107.08575	8.3
109.02879	11.1
109.06521	3.0
109.10160	28.5
111.11701	4.4
115.03912	4.6
117.05483	2.0
117.07031	1.9
119.08559	5.1
121.10119	6.6
123.11718	9.2
125.13256	3.6
127.03917	22.6
129.05487	4.0
131.08533	2.3
133.10120	2.4
135.11716	3.9
137.06017	2.5
137.13202	2.6
140.49973	1.9
141.05400	1.9
143.08565	2.7
145.04976	10.1
145.10121	4.4
147.11667	2.6
149.13309	10.3
151.14793	5.2
159.06570	2.9
159.07930	1.9
159.11783	1.9
165.09062	1.9
168.17439	1.8
173.13234	1.5
176.23982	1.6
183.06512	5.2
184.16960	4.5
201.07507	3.4
207.21007	1.9
225.22125	29.1
243.23192	5.6
289.29272	1.7
293.22211	3.0
299.25797	100.0
316.06064	1.7
327.25339	4.8
334.31076	20.4
341.26831	2.7
355.24857	2.9
407.68378	1.7
443.29437	5.4
443.36139	18.9
461.30597	14.0
461.37274	80.8
462.37610	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	461.3626
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03926	6.5
55.05513	39.8
57.07079	39.9
67.05509	33.2
69.07079	56.9
71.08645	37.8
71.48897	8.7
79.05498	22.1
81.07063	99.6
83.01344	19.0
83.08616	42.1
85.10179	16.1
85.98947	7.0
91.05497	14.8
93.07057	35.4
95.08061	9.9
95.08612	100.0
97.10162	33.3
99.04459	10.4
105.07035	25.4
107.08604	26.0
109.06522	15.6
109.10175	54.9
111.11726	13.4
117.07001	9.8
119.08557	19.3
121.06544	9.8
121.10131	26.3
123.08070	23.4
123.11744	34.2
125.13287	7.8
131.08562	17.9
133.10126	13.9
135.08069	11.6
137.06004	27.0
137.13235	23.3
139.07504	15.3
143.08525	8.0
145.10155	22.3
147.08080	6.8
147.11664	6.7
149.05974	26.4
149.09558	9.2
149.13266	8.9
151.07538	56.7
151.14803	9.0
159.08057	8.8
159.11739	18.6
163.07536	10.7
163.11171	10.0
165.09148	23.8
167.17900	6.4
173.09613	11.4
173.13280	9.5
175.07555	10.8
175.11243	7.0
177.09120	33.7
179.10725	11.7
179.18018	7.2
185.13237	11.8
187.11206	13.9
187.14810	10.8
191.10611	31.3
193.08600	13.7
201.16298	7.7
203.10750	6.0
205.12292	7.1
219.13661	8.4
226.04506	7.0
233.15565	7.6
263.27313	22.5
275.20355	8.8
331.22931	6.9
352.40048	6.8
371.29434	9.4
383.32993	9.8
395.27493	6.9
397.34308	12.7
401.34274	40.5
415.35883	17.3
425.34271	21.1
443.35217	82.7
461.36047	31.2
461.41913	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	461.3626
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05513	38.5
55.90805	3.9
57.07076	41.5
67.05513	28.7
69.07069	61.4
71.04780	9.0
71.08636	27.6
79.05498	14.3
81.07056	100.0
81.07532	5.6
83.01335	12.7
83.04982	7.3
83.08620	36.5
85.10177	15.3
91.05481	15.8
93.07045	24.2
95.04992	4.3
95.08606	75.1
97.02965	4.5
97.10176	38.1
105.07053	23.9
107.08604	20.3
109.06523	19.6
109.10156	50.8
111.11744	22.0
119.08605	17.1
121.06525	14.4
121.10120	13.8
123.08096	12.7
123.11710	33.3
125.06014	9.7
125.13258	6.5
127.07578	6.6
131.08568	19.1
133.10138	12.3
135.08078	14.1
135.11726	7.9
137.05989	31.7
137.13274	12.6
139.07565	11.3
145.10117	18.2
147.11708	9.2
149.06021	14.9
149.13268	9.9
151.07562	54.5
151.14813	12.4
157.10097	7.6
159.08144	8.7
159.11710	20.4
161.09615	9.4
161.13284	8.3
163.07503	6.5
163.14807	8.2
165.09093	24.2
171.11722	5.7
173.09662	16.6
173.13255	7.8
175.11313	4.9
175.15016	4.3
177.09134	29.7
179.10728	7.5
187.11154	24.6
189.09111	6.1
191.10722	22.9
193.08615	19.6
193.12233	7.9
203.10660	7.0
205.12193	21.1
207.10168	5.3
219.13792	10.3
229.12206	6.4
233.15305	6.6
247.16983	8.5
261.18729	6.1
263.27347	26.3
275.16806	5.9
289.17957	9.5
303.19745	5.7
311.29568	9.5
331.22672	5.4
383.33020	15.4
397.34683	14.3
401.34064	42.8
415.35910	24.1
425.34097	17.6
443.35165	70.7
461.30084	6.9
461.36057	45.2
461.41867	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	38.2
57.07082	43.0
62.14824	8.9
65.03938	8.5
67.05502	40.0
69.07069	64.6
69.19424	16.8
69.19833	76.3
71.04985	14.5
71.08623	25.2
71.44981	8.4
79.05498	28.7
81.07059	100.0
83.08607	35.1
85.10184	23.1
91.05489	83.3
92.05813	15.9
93.07040	22.5
95.08620	56.7
97.10160	23.4
99.04458	24.5
105.07018	13.0
107.08599	35.1
109.06516	11.5
109.10156	43.2
111.11707	9.0
119.08615	18.6
121.10148	24.3
123.11687	17.4
125.06018	18.4
127.03942	47.5
131.08545	8.9
133.10133	14.1
137.06000	61.3
137.06929	10.4
143.08615	9.0
145.10150	16.5
147.11658	8.8
149.13269	15.8
159.11694	12.3
166.45009	8.2
173.09657	18.3
173.13298	14.9
183.06554	32.4
187.11128	9.8
187.14806	15.1
401.34024	60.3
419.35037	12.0
461.36032	32.7
461.41476	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	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03940	1.2
55.01861	0.7
57.03431	1.2
60.04565	0.4
61.02926	1.0
69.03436	3.3
70.06570	0.9
70.92384	0.7
71.05001	0.5
72.08157	1.1
73.02924	0.8
74.06091	0.5
81.03413	1.8
84.08150	0.5
85.02908	16.4
86.09714	1.4
91.03967	0.6
93.07072	0.4
95.01323	4.0
97.02898	4.8
99.04418	0.7
103.03968	0.5
104.60767	0.4
104.61501	0.4
107.04959	100.0
108.05307	1.0
109.02869	1.6
111.49201	0.4
113.02371	0.8
125.31016	0.5
127.03907	3.1
127.09737	0.4
129.01901	0.4
131.04932	0.6
141.01845	3.3
142.08678	0.4
145.04955	3.7
147.04425	0.7
149.05943	1.1
161.05994	0.5
163.05991	0.5
173.06015	1.0
173.12952	0.5
177.03970	5.1
177.05458	1.1
185.05988	0.8
201.12334	0.7
233.14961	0.5
283.08047	2.7
319.93173	0.5
462.16196	2.2
462.21762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
58.53369	0.2
61.05762	0.2
64.03555	0.2
69.40331	0.5
69.40737	1.0
70.06575	0.5
79.05485	0.3
81.07040	0.3
85.02879	0.3
86.09692	0.6
97.02855	0.2
105.54845	0.2
107.04935	0.5
120.08067	0.3
120.12663	0.2
127.03890	0.2
153.01802	0.4
186.38144	0.2
229.04900	0.3
255.11136	0.3
258.05258	16.7
259.05548	0.5
286.04730	34.6
287.05051	0.9
301.07077	100.0
302.07388	2.9
463.12161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51895	0.9
53.03941	1.1
53.48339	0.9
55.05497	3.0
56.96574	1.4
57.07053	1.5
61.02918	1.1
66.60714	0.9
67.05508	10.2
67.68467	1.0
69.07047	2.6
69.85561	2.3
69.85972	2.8
79.05490	6.6
81.07056	10.4
83.08614	2.3
85.02896	1.9
91.05477	5.0
93.07033	10.7
95.04942	1.8
95.08600	6.9
97.02859	2.1
105.07019	3.4
107.04961	2.0
107.08588	4.1
109.10155	2.3
111.08096	1.3
117.06989	1.7
119.08549	2.8
121.10141	3.4
121.44421	0.9
126.05463	1.1
129.07008	1.3
129.73222	1.0
131.08585	1.6
133.10127	2.1
135.11674	2.1
137.05992	1.3
145.10092	2.1
149.13277	3.1
159.11700	2.4
161.13318	1.0
185.04224	34.6
267.09079	3.5
285.10211	5.0
301.21463	17.3
308.11444	1.0
324.11246	1.3
378.63928	0.9
463.26544	100.0
464.26877	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	463.3036
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
55.05502	5.6
57.03432	1.8
65.03898	1.6
67.05511	17.4
69.07059	6.8
71.05006	1.9
71.48897	1.7
79.05509	12.4
81.07059	23.4
83.04984	4.2
83.08620	5.3
85.06549	2.1
91.05496	7.9
93.07047	16.1
95.04901	2.0
95.08612	8.2
97.06528	2.0
105.07037	4.6
107.04941	2.6
107.08614	9.9
109.10143	4.4
111.08083	2.7
117.07051	4.1
119.08601	3.7
121.06503	3.3
121.10123	5.9
131.08565	4.1
133.10150	3.5
135.11678	4.5
139.07532	2.6
149.09583	2.3
149.13255	8.9
159.11716	4.6
177.12811	2.1
179.78865	1.7
186.58919	1.6
194.32320	1.6
199.14668	2.5
231.30508	1.8
248.57425	2.1
345.53085	1.8
443.77386	1.8
445.29318	100.0
446.29996	2.4
463.25754	38.1
463.30341	99.2
464.26575	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01868	6.0
55.05511	42.8
55.69227	3.4
57.03424	10.5
57.07065	4.0
67.05503	83.8
69.07063	29.1
70.84778	8.4
79.05487	74.6
81.03367	6.4
81.07054	99.4
83.04979	10.7
83.08602	13.1
85.06547	5.6
90.22906	3.9
91.05474	92.4
93.07040	64.5
95.04951	13.1
95.08607	62.8
97.06516	12.7
97.10129	5.3
103.05430	5.5
105.06320	6.8
105.07027	100.0
107.04967	13.2
107.08598	41.6
109.06522	12.7
109.10137	20.9
115.05432	5.3
117.07021	39.1
119.08591	53.1
121.06514	16.2
121.10126	30.6
123.08106	10.1
123.11754	6.9
128.06244	5.4
129.06981	32.0
130.07654	4.7
131.08565	70.9
133.06465	6.2
133.10095	27.4
135.08095	5.5
135.11678	13.5
141.06984	13.0
142.07735	5.8
143.08577	26.0
145.06514	6.6
145.10112	37.8
147.08023	6.2
147.11688	12.6
149.09657	7.3
149.13255	9.6
155.08560	14.5
157.10114	21.6
159.08034	7.9
159.11662	21.4
167.08521	8.1
169.10049	13.8
171.11700	19.1
173.09543	6.7
173.13202	8.6
179.14323	10.0
181.10158	6.8
183.11697	9.6
185.13217	11.6
187.14833	4.5
195.11742	11.4
197.13228	9.1
209.13332	13.1
211.14745	5.5
219.13885	4.2
223.14894	7.9
256.05026	4.2
273.18332	4.9
325.25116	10.7
335.23602	8.2
343.26538	22.8
349.27325	8.2
353.24670	44.6
371.25797	46.8
389.26849	54.0
399.28741	5.2
427.28183	10.2
445.29462	67.8
450.92508	4.8
463.30316	60.9
463.36176	5.2
484.51828	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	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	13.7
55.01864	5.1
55.05510	29.0
57.03425	12.2
65.03924	8.1
67.05505	89.4
69.03404	3.0
69.07078	29.1
70.02238	8.5
71.04983	6.3
79.05492	76.7
81.03407	3.2
81.06595	5.0
81.07060	83.3
83.04973	9.7
83.08617	15.0
85.06535	7.1
91.05483	100.0
93.07047	66.4
95.04955	12.6
95.08607	49.3
97.06513	9.5
97.10169	7.1
103.05466	4.7
105.07029	88.9
107.04945	10.3
107.08609	34.7
109.06501	12.7
109.10165	17.9
111.08099	4.8
115.05449	6.9
115.80226	3.2
117.07021	42.0
119.08574	48.2
119.20636	2.9
121.06471	7.0
121.10152	24.9
123.04388	3.0
123.08022	5.9
123.11650	4.1
128.06270	4.9
129.07011	28.4
130.07800	4.1
131.08572	64.4
133.06487	6.0
133.10130	32.4
135.07965	5.5
135.11658	11.9
137.09604	7.6
141.07021	7.0
142.07816	3.4
143.08582	27.7
145.06458	5.4
145.10138	38.4
147.08000	8.3
147.11649	10.5
149.09561	6.2
149.13243	8.6
154.22411	2.7
155.08574	13.9
156.09355	3.1
157.10071	18.3
159.08119	3.3
159.11690	20.8
161.09599	4.7
161.13261	5.5
167.08627	3.6
169.10149	13.4
171.11722	13.7
173.09610	3.8
173.13240	8.7
174.07031	3.1
175.11118	4.4
175.14810	2.9
179.92400	2.8
181.10164	9.1
183.11684	9.5
185.09624	3.5
185.13295	8.4
187.14890	3.5
195.11685	9.3
197.13190	9.9
199.11142	4.6
199.14816	6.1
201.12740	4.4
207.35089	3.0
209.13295	5.5
211.14891	5.4
213.12808	3.5
223.14859	5.7
225.16411	5.0
233.15335	5.2
235.69545	2.8
237.16402	3.5
243.17319	3.1
245.15308	4.3
247.16924	7.6
261.18500	5.0
273.18564	3.9
287.20108	3.3
325.25177	7.9
335.23563	9.8
343.26379	13.7
353.24722	42.7
371.25815	48.0
389.26822	48.4
445.29602	38.4
463.15802	5.3
463.30637	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
51.66004	1.0
53.03952	7.3
55.01884	4.7
55.05513	33.4
57.03438	10.3
57.07075	2.7
60.00940	0.9
65.03938	8.0
67.05505	88.8
68.05844	1.2
69.03430	2.7
69.07071	33.9
71.04992	7.5
71.47794	1.0
71.67699	0.8
72.69543	0.9
77.03928	2.9
79.05493	72.8
81.03407	3.5
81.07056	93.2
82.07446	1.1
83.04994	7.9
83.08620	17.4
85.02908	2.0
85.06544	5.5
91.05482	100.0
93.07045	81.4
95.04972	11.3
95.08609	49.4
97.06522	11.4
97.10186	5.3
99.04474	1.2
99.08082	2.5
103.05463	4.7
105.04520	3.2
105.07031	87.2
107.04960	13.8
107.08596	37.5
109.06516	6.8
109.10152	15.6
111.08093	6.4
113.06020	1.1
115.05454	5.9
116.06219	1.8
117.07018	42.2
119.04930	2.1
119.08582	52.1
121.06516	9.4
121.10139	24.5
123.08070	5.4
123.11717	4.3
125.09673	1.8
127.97693	0.9
128.06221	5.9
129.07010	24.9
129.07930	1.9
130.07788	3.3
131.04915	2.0
131.08568	63.1
133.06525	5.1
133.10123	30.0
135.08047	7.5
135.11696	11.6
137.06039	1.7
137.09618	4.4
139.11214	1.5
141.07019	9.2
142.07794	4.2
143.08556	24.8
144.09369	2.1
145.06497	4.5
145.10123	34.0
147.08015	7.1
147.11678	8.4
149.09641	5.3
149.13274	11.2
151.11200	2.3
153.09068	1.5
154.07864	1.2
155.08572	12.0
157.10130	16.6
159.08118	2.9
159.11699	16.9
161.09636	4.1
161.13280	4.0
163.11205	2.2
165.09171	1.0
167.08568	4.7
169.10120	11.4
171.08086	2.4
171.11699	12.5
173.09615	2.3
173.13197	8.4
175.11179	3.4
175.14726	1.4
177.12785	3.7
181.10144	5.8
181.12038	1.0
183.11688	9.3
185.09631	2.7
185.13206	8.5
187.11198	3.0
187.14810	6.2
189.12793	2.8
189.16388	1.4
193.10176	1.4
195.11723	6.9
195.13823	5.1
197.13258	7.9
199.11154	2.0
199.14777	6.6
201.12784	1.5
201.16428	3.1
203.14317	1.6
205.12209	1.9
205.15752	1.2
207.11868	1.4
207.13791	2.4
209.13315	6.3
211.14809	6.5
213.12796	2.2
213.16464	1.9
215.14392	2.1
217.15921	1.8
219.13766	2.1
221.15358	1.4
223.14880	4.0
225.16489	3.5
227.14328	2.9
227.17960	1.4
229.15900	2.1
233.15398	5.2
235.16959	2.2
237.16522	2.8
241.15921	2.7
243.17458	1.3
245.15446	2.9
247.16916	8.3
249.18755	1.1
255.17516	3.0
259.17038	3.9
261.18567	5.1
269.19092	1.3
273.18521	3.6
275.19849	1.3
287.20203	2.4
291.19821	1.3
301.18262	1.0
307.24194	1.1
317.22668	1.2
325.21814	1.7
325.25214	7.2
335.23795	9.1
343.26303	14.2
353.24738	34.3
361.27499	1.3
365.26981	1.0
371.25815	40.1
372.26437	2.2
389.26862	50.0
390.27130	2.1
427.28613	3.0
445.29498	19.3
463.30585	56.4
464.30661	1.9
477.81540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02370	1.4
53.03947	4.2
55.01866	3.4
55.05515	17.4
57.03432	6.9
57.07083	3.6
57.13857	0.8
65.03956	4.2
66.80764	1.1
67.05509	76.9
69.03435	1.7
69.07074	23.9
70.56509	0.7
70.72379	0.7
71.01373	0.8
71.04993	5.8
71.48739	1.3
77.01978	0.9
79.05499	46.5
81.03413	3.1
81.07061	100.0
82.07394	0.8
83.04987	8.6
83.08159	1.1
83.08625	14.7
85.06544	5.0
88.09928	0.8
91.04908	1.1
91.05486	26.3
93.07050	71.5
95.04971	7.0
95.08611	24.9
97.06532	13.9
97.10168	2.1
99.08131	4.2
105.04500	2.1
105.07040	11.5
107.04948	2.3
107.08598	35.7
109.06525	2.8
109.10159	3.6
110.48442	0.7
111.08057	7.5
111.11745	1.0
113.05980	1.1
113.09663	0.8
117.07030	8.5
119.06052	1.0
119.08585	2.5
121.06500	2.0
121.10153	23.1
123.11730	2.4
127.07517	1.0
129.06987	1.3
131.08575	11.8
133.10141	9.5
135.08087	2.5
135.11697	10.8
139.07570	1.2
139.11189	3.1
145.10091	1.8
147.11708	3.6
149.13269	49.7
150.13704	0.7
151.11206	0.9
157.10075	1.5
159.11700	18.0
167.14366	1.9
177.12733	10.5
195.13829	16.8
201.72072	0.7
210.27846	0.7
213.14879	2.2
216.95248	0.8
251.16342	0.9
385.98352	0.9
389.97583	0.9
445.29620	1.7
463.30566	57.5
464.30396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01880	8.2
55.05513	37.2
57.03436	11.9
64.80054	3.6
65.03934	9.2
67.05509	99.0
69.07069	33.4
71.05003	6.4
71.49068	5.2
79.05503	71.9
81.03411	7.1
81.07064	88.4
83.04974	8.6
83.08651	17.6
85.06531	6.4
91.05489	94.3
91.42808	3.7
93.07044	87.1
95.04973	9.3
95.08616	58.0
97.06532	12.8
97.10195	7.8
103.05479	6.6
105.06327	4.9
105.07036	89.0
107.04941	14.3
107.08611	34.7
109.06534	11.3
109.10149	16.2
111.08090	6.3
115.05491	4.7
117.07043	34.0
119.08581	46.9
121.06522	11.3
121.10152	27.7
123.04445	3.9
128.06204	6.9
129.07028	26.5
131.08589	67.1
133.06491	7.3
133.10153	30.3
135.08136	6.5
135.11700	14.2
137.06004	5.7
139.11168	3.9
141.06998	8.2
143.08562	30.4
145.06558	6.4
145.10130	32.7
147.08047	4.9
147.11708	12.4
149.09648	9.2
149.13232	6.6
155.08554	15.2
157.10170	21.8
159.08037	8.9
159.11615	18.0
161.09631	5.3
161.13286	7.0
167.07065	4.2
167.08542	4.5
169.10133	13.8
171.11697	7.7
173.13326	10.8
175.11212	5.0
175.14883	4.2
181.10089	9.9
183.11696	7.3
185.09549	4.4
185.13242	5.6
187.14803	6.4
195.11726	3.8
197.13307	8.8
199.14922	7.1
201.16440	4.5
209.13359	5.7
215.14366	5.0
217.15962	4.0
219.06651	7.9
219.13850	4.3
225.16339	4.1
243.17464	4.5
245.15269	5.0
247.16902	7.4
261.18539	4.0
325.25470	11.0
335.23599	11.1
343.26334	19.3
353.24802	46.5
371.25842	61.2
389.26874	54.7
427.28598	10.9
430.30609	4.5
445.29538	100.0
463.30566	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.80892	3.2
53.03932	3.9
55.05279	4.1
55.05515	52.1
57.06802	4.1
57.07079	68.3
67.05516	27.1
68.61396	3.5
69.03402	3.7
69.06696	5.0
69.07069	100.0
70.67654	8.8
70.75199	3.6
71.04980	5.0
71.08633	43.4
79.05495	26.3
79.52872	3.4
81.06673	4.3
81.07063	59.3
83.08622	72.0
84.70900	3.7
85.06546	4.5
85.10174	26.9
91.05492	28.4
93.07039	42.8
95.04970	7.2
95.08617	58.2
97.10174	37.9
99.11680	4.9
105.07034	46.4
107.08604	62.1
109.06519	19.0
109.10165	30.7
111.04438	4.2
111.08078	18.6
111.11742	32.0
117.07034	5.2
119.08591	47.7
121.06479	7.5
121.10152	23.3
123.08065	17.0
123.11694	16.6
125.05993	10.8
125.13256	12.4
127.07548	7.1
131.08546	10.7
133.10124	33.0
135.08057	38.1
135.11708	18.1
137.06065	6.8
137.09630	7.2
137.13228	8.1
139.07545	4.9
139.14806	5.4
143.08542	6.2
145.10115	19.2
147.08038	10.6
147.11690	26.8
149.09589	13.2
149.13275	9.8
151.07516	16.6
151.11160	4.7
157.10126	13.8
159.08138	6.4
159.11688	12.9
161.09619	8.1
161.13268	42.5
163.11133	8.9
163.14827	10.9
167.07047	12.7
171.11678	14.8
173.09618	4.1
173.13260	12.9
174.10391	4.0
175.07579	7.0
175.11134	10.0
175.14848	12.4
177.09108	14.8
177.16429	4.7
179.07036	5.8
179.10599	5.9
181.08592	22.4
185.13225	5.9
187.14835	4.9
189.12724	22.7
189.16341	11.1
191.14226	4.9
193.08568	10.6
199.14767	7.5
203.14296	13.7
203.18057	7.8
205.12129	6.7
211.14905	4.5
213.16373	5.7
215.17857	4.6
217.12250	6.8
217.15923	9.9
219.13759	5.9
231.13763	8.0
231.21169	6.5
235.13324	7.9
237.14825	12.9
245.15268	4.2
249.14804	10.9
263.16425	7.8
273.18439	3.7
273.22220	4.2
273.26053	4.3
277.17865	6.7
287.20203	4.2
291.19659	9.0
301.21545	6.3
305.21103	13.8
307.22440	3.8
307.29877	6.8
317.28317	5.0
319.22720	17.7
333.24210	8.2
347.25650	11.7
357.35193	49.8
361.27225	9.5
367.33920	5.0
375.28845	8.2
375.36154	21.7
385.34595	8.2
389.30585	4.4
399.36261	29.7
403.35587	9.0
417.37277	22.1
427.25949	3.7
427.35678	51.2
432.11380	3.5
445.36731	84.0
463.38501	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05517	13.6
55.83794	1.3
57.07077	29.6
62.62004	1.7
67.05501	9.1
69.06734	2.2
69.07076	28.7
70.66782	4.4
71.08307	1.9
71.08642	25.0
78.47341	1.5
79.05475	6.5
81.07066	18.1
83.08627	14.9
85.10183	14.1
91.05452	3.9
93.07044	7.9
95.08602	16.2
97.06530	3.6
97.10164	9.0
98.77130	1.6
99.04461	3.1
105.07049	8.0
107.08594	7.1
109.06519	13.7
109.10181	7.4
111.08080	2.0
111.11729	5.3
119.08600	5.6
121.06502	2.7
121.10137	4.1
123.08096	9.7
123.11722	3.0
125.06007	14.2
125.09641	2.5
126.06802	1.8
127.06649	2.2
127.07561	37.3
131.08597	2.2
133.10118	2.7
135.08089	2.0
135.11705	1.9
137.05975	7.7
137.09662	2.6
139.01244	1.4
139.07552	100.0
145.10158	2.3
147.11710	1.9
149.05998	3.9
151.07532	8.1
151.11201	1.6
159.11725	2.5
161.13283	2.0
163.07677	1.9
165.09119	3.6
167.07016	5.6
173.13246	1.4
174.30455	1.5
177.09114	10.7
188.60310	1.6
189.12721	1.5
199.14732	1.5
207.13742	2.6
217.99005	1.5
275.03336	1.5
301.28882	4.9
319.29974	9.5
344.19400	1.5
347.33160	12.8
373.31058	4.9
385.34256	2.9
389.37231	1.5
399.36212	3.5
417.37338	15.0
427.35736	4.3
445.36801	49.0
446.37073	2.1
463.31754	2.4
463.37915	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05513	13.2
57.06796	1.7
57.07077	33.1
67.05507	7.2
68.04213	1.2
69.07070	25.2
70.73927	3.4
71.08634	21.7
71.53767	1.3
79.05486	4.8
81.07064	19.8
83.08620	16.0
85.10188	12.3
86.49399	1.2
91.05481	4.4
93.07049	7.6
95.04956	1.8
95.08615	15.8
97.06533	2.0
97.10172	9.0
99.04458	5.0
99.11680	1.4
102.71468	1.2
105.07033	6.1
107.04960	1.5
107.08584	5.8
109.06529	12.8
109.10172	7.9
110.89428	1.2
111.08070	2.9
111.11704	3.9
119.08563	4.3
121.10120	4.9
123.08076	12.4
123.11677	2.5
125.06010	13.9
125.09612	1.8
127.07556	42.8
131.08577	2.3
133.10149	2.4
135.11713	1.8
137.05962	3.2
137.09633	2.5
139.07541	100.0
147.08038	1.4
147.11693	2.3
149.05998	3.9
149.09572	2.5
151.07518	6.2
151.11163	2.0
153.09065	1.7
161.13173	1.5
163.07582	2.4
165.09122	3.3
167.06979	5.8
175.11208	2.2
175.14790	1.7
177.09105	13.2
223.13379	1.9
249.14871	1.7
291.30722	1.4
301.28946	3.3
317.24747	1.2
319.30069	8.5
347.33130	15.7
373.30981	5.2
399.35971	3.6
403.35715	2.1
417.37296	17.8
419.98865	1.4
427.35831	1.7
445.30573	2.5
445.36780	40.8
463.31720	2.3
463.37793	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03932	1.8
55.05511	19.8
55.37904	1.2
57.03428	1.4
57.07078	9.8
67.05509	8.0
68.31043	1.3
69.03406	1.2
69.07072	17.4
71.08630	2.9
78.35535	1.4
78.86569	1.2
79.05478	4.5
81.07059	13.2
83.04494	2.5
83.04983	45.3
83.08619	8.6
85.10162	2.0
90.11694	1.0
91.05477	5.4
93.07050	16.5
95.04955	1.9
95.08619	15.7
97.06533	2.6
97.10174	5.8
98.21529	3.4
99.08079	2.6
103.17081	1.4
103.75610	1.3
105.07032	4.0
107.08639	7.3
109.06530	4.0
109.10178	6.3
111.08096	6.3
111.11716	1.6
117.07035	1.8
119.08578	4.2
121.06506	27.9
121.10147	5.9
123.08075	5.4
123.11713	4.1
125.06026	2.7
127.07567	11.3
131.08568	3.8
133.10133	3.4
135.08049	13.2
135.11699	1.5
137.09615	8.1
139.07544	69.1
145.10136	2.1
147.11754	1.6
149.09636	4.0
151.07574	1.6
153.09082	7.7
157.10147	1.8
159.11687	2.1
161.09660	1.9
163.07576	14.6
163.11200	3.5
165.09142	4.5
167.10695	4.6
169.08682	2.5
169.09943	1.4
171.13831	13.3
175.14789	1.6
177.09135	1.5
177.12708	2.3
181.08574	15.8
181.12253	3.5
187.11118	1.5
187.14894	1.8
189.12718	1.8
195.10202	1.6
203.14540	1.7
205.12242	1.5
209.11792	1.4
215.14519	1.6
223.13330	2.8
231.13921	1.3
237.14786	3.0
251.16380	1.6
265.79343	1.3
279.19791	1.6
293.21213	1.9
301.66940	1.4
303.55414	1.3
307.22714	2.3
331.78934	1.2
333.24316	1.5
357.24118	1.2
363.29022	1.3
381.15988	1.2
427.35605	2.7
445.36780	70.1
446.37289	1.5
463.32162	7.2
463.37851	100.0
464.38199	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	464.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77905	0.8
55.15230	0.8
55.44980	0.8
56.43951	0.8
64.62150	0.9
65.03950	1.0
67.00290	0.8
67.84867	0.8
70.60876	1.9
70.61237	1.9
74.06076	1.1
79.05474	1.1
81.03434	1.2
84.08144	1.1
85.02903	4.0
86.09702	1.6
92.05013	8.7
93.07038	1.9
94.06590	1.0
97.02887	1.7
98.97571	1.8
103.05472	6.4
107.04964	17.6
110.06039	14.2
115.43200	1.0
119.04981	1.5
120.08112	100.0
121.08441	1.8
123.04445	3.2
125.56066	0.9
127.03886	0.9
131.04930	1.8
137.06012	1.1
147.04407	4.3
149.05943	2.2
166.08652	47.1
239.09166	2.0
272.11301	1.4
297.83594	0.9
303.04932	2.2
314.12387	1.5
315.07306	1.7
323.13202	0.9
358.11343	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	464.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36489	1.2
50.81043	1.5
53.03947	3.9
55.01871	3.9
57.03427	2.3
58.50697	1.2
61.02909	2.4
64.01965	1.3
65.22338	1.1
68.99808	2.0
69.03437	10.1
70.06596	3.1
71.48622	2.4
71.98055	1.3
73.02930	1.8
77.99425	1.2
79.05487	2.7
81.03424	14.8
85.02913	24.4
86.09706	3.3
87.00835	10.9
92.05007	3.9
93.07075	1.5
95.04991	1.8
97.02909	8.5
99.04468	4.6
103.03983	1.3
105.01862	6.5
105.07021	3.2
106.06583	6.1
107.04962	56.6
108.04444	1.4
109.02881	12.3
109.05259	2.3
110.06050	100.0
119.04987	1.2
120.69481	1.1
121.10150	12.9
122.06042	3.9
127.03939	18.4
129.01845	3.3
134.06029	13.3
145.04945	6.5
146.06027	2.7
147.02867	1.9
152.07063	11.6
159.02873	7.3
164.07118	1.8
172.07571	3.9
176.07074	5.4
178.08742	2.7
200.07127	7.2
203.05443	1.5
213.04004	1.2
218.08136	4.4
231.04976	3.8
244.09503	2.7
287.05167	2.2
297.96173	1.4
301.07037	1.8
302.07315	5.1
303.05069	6.2
322.09229	3.6
340.10263	11.8
358.11328	52.8
397.88089	1.4
446.52838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60545	0.5
55.01858	1.1
55.05517	0.7
56.96547	2.0
57.03425	2.5
59.04976	1.3
61.02911	2.1
62.71437	0.4
65.03928	0.6
69.03436	6.7
69.14763	3.4
69.15165	1.2
70.06596	0.6
71.04979	1.0
73.02909	2.2
81.03397	2.1
83.12746	0.4
83.13946	0.5
84.08151	0.9
84.96013	0.7
85.02909	26.8
85.93455	0.5
86.03271	0.5
87.04463	1.2
91.03918	0.7
91.05483	10.2
92.04982	0.7
95.04961	0.7
97.02901	6.9
98.21519	1.2
98.97589	8.8
99.04410	1.0
101.00813	0.6
101.76253	0.5
107.04958	30.9
108.05314	0.5
109.02872	1.8
110.06038	1.5
110.07166	11.8
110.97565	1.9
115.03941	0.6
116.98637	2.8
119.01868	0.5
119.04949	20.8
121.02890	2.3
121.06460	2.4
122.05972	0.6
127.03944	4.0
128.98608	2.1
133.06479	1.2
135.04530	0.5
137.05968	2.2
138.05502	0.5
143.00177	0.7
143.01857	1.0
145.04953	2.8
146.31279	0.4
147.04414	100.0
147.08086	1.7
148.04755	0.9
149.05994	2.1
152.07053	0.7
155.01947	0.5
156.07690	13.1
157.06488	0.9
158.99663	2.8
161.03014	0.8
161.06006	2.5
166.55492	0.7
168.70451	0.5
170.99658	0.9
175.07579	1.4
177.00778	1.7
185.06111	0.9
189.00748	0.9
191.07079	0.6
201.00800	1.0
203.07103	3.2
213.00813	0.5
215.07520	0.5
219.01752	4.2
221.04955	0.6
221.08115	10.1
221.10185	0.8
237.02834	3.7
239.09157	37.9
240.09224	0.5
241.06535	3.1
242.07475	0.7
245.05133	0.6
279.03806	0.9
285.09634	3.0
287.05646	3.4
291.08041	0.7
294.11090	0.5
302.05453	1.7
302.11334	5.6
303.07672	0.7
309.08618	2.7
321.04935	0.5
321.09006	0.5
335.06595	0.9
337.08243	0.6
361.02420	0.5
418.16400	0.6
446.15909	0.7
464.16837	17.1
464.23355	1.1
465.14621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.40224	0.4
56.29387	0.5
57.03433	1.1
61.02920	1.2
64.50760	0.5
69.03437	2.8
70.07903	2.1
81.03421	1.5
85.02907	9.6
97.02917	2.4
98.21446	0.6
99.04418	0.7
106.70776	0.5
109.02905	1.3
111.00790	0.8
121.02888	0.9
127.03931	1.8
137.02316	3.1
145.04964	1.7
145.06490	0.7
153.01843	3.9
158.54028	0.6
163.03815	0.7
165.01848	2.3
173.45261	0.5
176.81912	0.5
183.02908	1.1
201.05458	1.6
229.04955	4.6
247.06168	0.7
257.04541	2.4
274.04669	0.5
285.03903	1.2
303.04999	100.0
304.05219	1.3
344.57910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01871	0.2
61.01837	0.2
65.03935	0.3
67.05479	0.3
68.99773	0.9
69.03419	0.7
69.07076	0.2
70.06595	1.0
71.48534	0.2
72.08133	0.7
79.05478	0.3
81.03402	0.6
84.04485	0.5
84.08115	0.5
85.02897	1.3
86.09702	0.9
91.05498	0.3
93.03390	0.4
95.04951	0.4
97.02874	0.5
102.05543	0.2
104.05385	0.2
107.04945	0.6
107.38721	0.2
109.02849	0.7
111.00777	1.1
120.08114	1.1
121.02852	1.2
122.06054	0.2
123.04375	0.3
124.33035	0.2
126.85493	0.2
127.03920	0.7
131.04948	0.3
136.07568	0.8
137.02345	3.8
137.03387	0.2
138.09135	0.4
143.45766	0.2
145.04921	0.5
145.06544	0.2
149.02325	0.4
153.01830	4.7
155.04872	0.2
159.04376	0.2
161.06021	0.3
163.03918	0.7
164.07097	0.8
165.01828	2.6
166.02585	0.3
173.05988	0.7
179.03323	0.3
183.02890	0.8
183.04384	0.4
187.03859	0.4
193.12262	0.4
195.02805	0.3
201.05479	2.1
205.04987	0.2
213.05518	0.2
219.02959	0.2
219.06496	0.3
228.04240	0.4
229.04964	5.1
239.03523	0.2
247.06061	0.8
257.04404	3.2
257.12671	0.2
274.04706	1.0
275.05432	0.4
285.03967	1.8
289.73276	0.2
303.04987	100.0
304.05392	1.6
389.71243	0.2
437.19269	0.3
447.17722	0.2
465.10385	1.7
465.19046	0.7
487.42270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.55068	0.1
55.63893	0.2
65.03923	0.2
68.99800	0.9
69.03408	0.3
69.94818	0.6
70.06606	0.2
73.36449	0.1
75.58184	0.2
80.34378	0.2
81.03428	0.2
85.02916	0.2
86.09699	0.3
90.25821	0.1
93.03432	0.2
95.04974	0.4
97.10164	0.1
109.02877	0.4
111.00816	1.2
120.08092	0.2
121.02866	1.2
123.04435	0.3
127.03921	0.2
137.02353	4.0
137.03407	0.3
137.05939	0.1
138.09166	0.4
145.06572	0.2
149.02353	0.7
153.01842	4.7
155.04863	0.3
161.05962	0.2
163.03931	0.8
165.01843	2.8
166.02612	0.3
173.06052	0.6
177.01874	0.2
183.02907	0.9
183.04488	0.4
187.03946	0.6
195.02917	0.3
201.05469	2.3
205.05148	0.2
213.05527	0.2
219.02814	0.2
219.06577	0.3
228.04210	0.4
229.04996	5.7
247.06033	0.8
257.04495	2.8
274.04797	0.9
275.05399	0.2
278.70187	0.2
285.03918	1.6
303.05005	100.0
304.05325	1.8
346.77158	0.2
427.70026	0.2
433.67941	0.2
465.10178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14861	0.8
52.35722	0.6
53.10207	0.7
55.05512	0.9
55.32676	0.7
56.05023	0.9
57.03437	0.6
57.83831	0.6
64.40939	0.7
66.70709	0.7
67.05487	1.4
69.03434	1.2
69.07049	0.9
70.06596	8.2
71.27879	1.1
72.08157	11.1
76.53172	0.7
81.03390	1.1
81.07050	0.7
82.08305	0.6
84.08126	2.6
85.02901	1.6
85.08447	0.6
85.56952	0.6
86.09710	8.5
91.05481	1.7
94.06525	0.7
97.02879	0.9
105.07034	0.8
107.04912	2.1
110.07154	1.5
120.08107	14.4
121.02879	1.1
122.06028	1.3
124.07578	1.0
129.10223	1.9
136.07608	6.6
137.02361	1.4
137.05972	1.3
138.09134	1.5
144.13867	1.4
153.01830	1.0
156.97391	0.8
164.07011	5.4
165.01755	1.0
171.07822	1.4
172.04971	1.5
172.08699	10.0
182.08141	1.4
186.10294	2.2
187.07458	5.7
188.08151	1.1
193.12222	0.8
198.06641	1.7
199.07352	4.1
199.18027	1.2
200.08160	3.4
201.68214	0.7
203.13939	0.9
214.09731	1.2
216.07669	9.7
216.10028	2.6
219.13187	1.4
219.14948	2.3
229.05048	1.3
229.06996	1.1
243.08775	100.0
244.09549	54.7
245.10054	1.8
247.14435	3.0
257.04520	0.8
257.10315	4.7
263.14029	0.8
285.07440	1.2
303.05005	26.4
303.22977	0.7
326.12390	2.0
355.11771	0.8
362.13495	1.6
377.14606	1.0
378.15353	71.5
379.16095	30.5
380.16370	0.9
430.12616	0.8
447.14880	6.0
465.17001	2.7
488.60977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.00301	0.9
53.03931	2.2
55.01873	1.3
55.05505	1.5
57.03444	0.7
57.07087	3.5
63.35511	0.7
66.98631	0.7
67.05501	2.3
67.60108	0.7
69.03446	4.4
69.07064	2.5
71.04987	1.2
71.23516	1.1
71.23869	0.7
71.58694	0.7
77.18016	0.7
79.05470	1.8
81.03416	6.1
81.07059	4.6
82.07340	0.7
83.05009	1.1
83.08637	1.7
85.02911	6.7
85.06548	5.3
91.05481	3.8
93.07045	2.6
95.04976	1.5
95.08617	3.4
97.02889	10.6
97.06536	0.9
97.10160	0.9
99.00800	0.9
99.04450	2.0
103.05470	31.0
103.06157	1.6
105.07033	2.2
107.04945	3.1
107.08587	2.1
109.02867	2.2
109.06515	1.0
109.10140	1.8
119.08578	2.7
121.10148	1.9
123.11716	1.2
125.99980	0.6
127.03922	5.4
127.07565	1.0
129.07016	0.8
129.30954	0.7
131.04933	100.0
132.05258	1.4
133.10117	2.7
135.11710	1.5
137.05989	1.2
137.09595	0.7
139.07555	1.2
141.07031	0.9
143.08549	1.3
145.04964	1.9
145.08583	2.9
147.11697	1.5
149.05969	5.6
153.01834	1.1
159.08209	1.0
159.11699	0.9
166.07762	0.8
171.07941	1.1
171.11734	1.2
181.10118	2.3
187.07608	2.0
205.10080	1.4
215.08549	2.1
229.04909	1.0
233.09592	1.6
261.09033	0.7
275.09177	1.0
293.10217	0.8
303.05005	16.3
392.61154	0.7
447.38483	1.3
465.17618	1.4
465.27798	1.7
465.33588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.1
55.05508	21.9
55.10509	2.3
57.07064	8.9
66.21210	2.1
67.05509	29.6
69.07068	26.0
71.04966	3.0
71.08646	2.7
73.92096	2.2
79.05499	27.5
80.94608	2.1
81.07056	89.6
83.04974	4.8
83.08615	7.2
85.06541	18.8
88.41924	2.4
89.06011	10.5
91.05471	20.8
93.06491	3.9
93.07050	50.2
95.04955	2.5
95.08613	64.0
97.06554	2.8
97.10171	9.9
98.79419	2.1
99.04453	9.1
101.06020	3.5
105.07034	44.1
107.08599	71.3
109.06530	7.1
109.10161	44.6
111.08117	4.2
117.07034	5.8
119.08587	51.5
121.10157	40.7
123.08080	2.4
123.11707	20.4
127.07552	6.1
129.06976	5.0
130.07817	2.4
131.08594	20.8
133.08594	4.0
133.10126	31.1
135.08034	4.1
135.11697	26.9
137.13268	3.2
139.07428	2.3
142.07770	2.7
143.08557	14.1
144.09344	4.0
145.10139	31.5
147.11681	32.1
149.09679	5.4
149.13269	25.4
155.08548	3.3
157.10133	13.0
158.10753	3.0
159.11703	38.6
161.13264	24.4
163.11189	2.8
163.14766	10.8
167.10707	7.7
169.10143	4.8
171.11690	17.2
173.13251	27.3
175.11253	4.0
175.14809	14.6
177.12714	3.6
177.16431	3.7
183.11746	5.5
185.13242	11.9
187.14801	18.7
189.12863	3.3
189.16360	12.8
191.17949	3.9
195.13753	2.2
197.13304	3.6
199.14824	10.9
201.16414	12.4
203.17914	5.6
207.13875	3.7
211.14836	3.8
213.16412	15.3
215.17964	15.0
217.19566	6.1
225.16402	5.0
227.17928	8.3
229.19580	9.9
231.21124	7.0
235.16965	3.6
239.17896	3.1
241.19594	3.6
243.21017	6.6
249.18404	2.7
255.21159	6.6
257.22571	11.2
259.24200	3.2
267.21118	3.2
269.22574	5.2
271.24237	7.7
273.18536	3.2
281.22580	3.4
283.24167	6.1
295.24045	3.3
297.25647	4.2
303.04990	8.1
315.23340	3.5
325.28851	2.9
351.30469	2.9
355.26291	4.5
465.37308	100.0
466.37686	3.1
485.82434	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	465.3942
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
51.15966	1.7
53.18328	2.4
55.05272	2.2
55.05515	23.2
57.07088	13.5
60.99169	2.1
67.05516	14.5
69.07079	33.8
71.08622	9.4
79.05481	7.5
80.20337	2.1
81.07074	25.4
83.04963	4.2
83.08620	24.2
84.84029	2.2
85.06562	2.5
85.10189	5.5
89.06036	28.3
91.05484	6.8
93.07040	12.3
95.04976	5.1
95.08621	26.2
97.06530	2.9
97.10183	19.9
98.21527	5.0
105.07035	13.3
107.08580	9.3
109.06465	4.8
109.10162	18.8
111.08089	10.4
111.11696	3.6
117.06969	3.3
119.08621	14.6
121.06541	5.6
121.10151	7.3
123.04391	11.4
123.08039	5.1
123.11694	9.5
131.08611	5.1
133.08595	10.9
133.10133	8.3
135.11697	10.5
137.09613	16.0
137.13240	4.0
139.07533	32.3
139.11183	2.7
143.08606	2.5
145.10077	3.5
147.08026	2.7
147.11705	5.1
147.52885	2.1
149.09569	4.0
149.13226	6.3
151.07570	5.7
151.11229	7.7
157.10150	2.9
159.11626	3.6
161.13249	3.6
163.11200	2.4
163.14781	2.4
165.09125	23.0
165.12778	6.8
170.11783	2.4
171.11742	2.3
173.13339	3.0
175.11316	2.6
175.14752	2.8
177.11267	5.7
179.14316	2.5
183.11635	4.0
189.16333	3.4
193.15919	4.8
204.11394	2.3
205.15916	2.4
233.15411	2.8
303.05026	20.3
401.37930	7.8
426.93240	2.3
429.37292	51.8
447.38385	100.0
448.38315	5.4
465.39526	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69538	1.5
55.01871	4.6
55.08247	1.6
57.07087	3.1
59.04984	2.0
67.05502	4.6
69.03419	5.7
69.07072	3.6
69.42416	12.7
70.02946	2.5
70.06602	15.7
72.04514	7.9
72.08153	8.8
73.02911	3.2
81.03432	2.5
82.16139	1.6
84.04491	2.9
84.08138	6.4
85.02910	13.5
85.06540	5.8
86.09704	10.3
90.05566	64.8
95.04989	3.7
97.02896	2.4
98.02433	8.1
103.07590	4.2
104.95085	1.5
107.04956	8.3
113.05939	1.8
116.03456	10.3
116.07154	1.8
120.08086	5.7
124.07616	10.6
127.03902	2.2
129.10255	4.3
137.05928	2.8
139.07545	4.6
142.08662	7.4
145.05013	4.7
156.10194	6.7
160.99828	2.1
162.05479	2.2
163.05867	2.8
166.08620	2.7
176.06862	1.6
184.09735	13.9
185.16460	2.9
202.10783	26.1
213.15942	4.9
220.11821	100.0
286.16443	15.0
303.04956	2.3
304.05316	7.4
304.13995	2.1
304.17590	4.3
307.31216	1.6
358.40189	1.7
466.20959	6.5
467.20764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17546	1.7
51.68651	2.1
53.03943	2.4
53.39270	1.8
55.05511	7.3
57.03430	4.7
61.02924	2.1
65.03951	2.3
67.05509	37.7
69.03431	4.6
69.07073	12.4
69.88866	10.0
70.06573	4.4
71.04987	2.1
79.05495	16.9
81.03423	7.6
81.07063	47.8
83.04991	7.3
83.08623	9.0
85.02911	6.3
85.06545	4.6
91.05485	12.2
93.07055	34.0
95.04972	3.7
95.08609	14.1
97.02920	2.8
97.06526	8.7
100.11196	2.4
105.07031	5.5
107.04957	13.0
107.08586	19.0
108.05334	2.6
109.02901	5.3
109.10172	4.7
111.08079	4.3
113.06010	2.1
115.05446	2.6
117.07014	5.4
119.08588	2.7
121.10169	14.3
123.08102	2.3
123.11707	2.1
127.03925	8.8
131.04953	2.9
131.08560	3.8
133.10114	5.2
133.37981	2.2
135.11702	9.5
137.06039	2.2
147.11835	2.7
149.13239	30.1
159.11705	9.5
166.08583	1.8
175.67688	2.0
177.12787	6.6
195.13838	20.3
198.11259	2.1
213.14742	4.7
231.34962	2.0
269.17496	100.0
270.17917	2.5
295.10422	2.2
304.05469	6.7
339.18045	12.6
372.02753	2.7
438.27072	2.1
448.14514	3.4
477.27795	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	467.2644
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
53.03939	4.8
55.01866	4.5
55.05500	8.1
57.03431	4.0
61.02912	6.7
65.03928	2.8
67.05504	22.2
69.03435	18.6
69.07067	19.2
70.06580	4.3
70.39751	7.3
71.04983	7.7
73.02919	3.5
78.43712	2.0
79.05490	11.1
81.03398	6.7
81.07056	32.1
82.07395	2.9
83.04967	3.2
83.08618	4.9
85.02908	33.3
85.06534	4.7
86.09700	3.7
91.05484	10.0
93.07033	18.4
95.04959	14.7
95.08610	20.4
97.02878	9.4
97.06517	5.3
99.04402	2.0
103.05466	3.2
105.07041	15.8
107.04952	25.2
107.08599	12.1
109.02869	5.9
109.06520	19.4
109.10156	38.9
119.04904	2.6
119.08574	11.7
121.06499	4.6
121.10161	11.8
123.08066	21.2
123.11665	6.5
125.06016	2.4
127.03901	5.4
127.11129	3.4
128.06212	3.2
129.06979	2.4
131.04897	5.8
131.08542	7.4
133.06503	3.5
133.10101	9.0
135.08086	11.4
135.11708	5.0
137.05951	7.3
137.13219	2.3
141.06989	2.5
143.08531	5.3
145.04962	3.6
145.06490	3.0
145.10135	11.3
147.08022	5.8
147.11679	7.4
149.09625	4.3
149.13255	4.8
151.07541	3.8
156.09268	2.9
157.06528	2.2
157.10114	6.8
159.11652	6.3
161.09586	5.9
161.13295	3.2
163.11180	7.2
165.09131	2.7
165.12743	23.9
171.11716	6.9
173.05937	3.8
173.13194	3.5
175.11224	4.2
176.11992	4.9
177.05463	3.4
177.12755	5.0
179.14359	6.8
185.13156	3.4
189.12639	2.3
191.14297	59.2
201.16446	3.4
207.13794	18.2
211.14923	3.6
219.13762	13.6
227.18005	3.2
229.15778	2.7
233.32420	1.9
236.10840	3.2
237.09047	4.8
241.19188	2.2
243.17270	2.2
244.18044	3.0
245.12749	4.5
245.19002	8.7
247.07455	2.3
252.82596	1.9
257.18909	2.0
259.20691	2.8
265.08444	3.9
269.17529	8.1
270.17783	25.4
287.20053	100.0
287.22986	3.6
288.01459	2.2
305.21161	16.3
407.16013	3.8
435.15366	3.1
445.92215	2.1
467.19482	3.5
467.25995	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	467.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05503	7.4
57.03440	7.7
61.02926	4.7
61.52126	2.9
64.54194	3.4
66.04572	2.9
67.05511	36.2
68.05835	5.1
69.03441	18.5
69.07066	20.0
70.06593	5.1
70.61845	8.6
71.04994	7.1
75.05836	2.6
79.05489	19.3
81.03425	9.2
81.07053	43.0
82.07352	4.6
83.04984	5.1
83.08624	6.7
84.08149	4.4
85.02919	31.1
85.06550	3.3
86.09692	7.0
91.05486	12.0
92.05843	3.1
93.07043	24.4
94.07368	3.7
95.04929	14.8
95.08620	21.0
97.02899	11.6
97.06545	9.9
98.21567	3.2
99.04467	5.4
103.05460	4.0
105.07034	18.3
107.04936	29.3
107.08603	21.7
108.08944	3.8
109.06517	17.2
109.10161	46.5
117.07037	6.8
119.08567	12.0
121.06489	8.7
121.10172	14.7
123.08073	16.3
123.11698	5.2
127.03947	6.7
127.68619	3.4
129.06961	6.1
131.04916	12.6
131.08554	13.4
133.06494	6.5
133.10133	12.4
135.08073	10.3
135.11720	7.3
137.05977	7.4
143.08560	5.4
145.05002	5.3
145.10123	9.4
147.08037	6.9
147.11696	7.2
149.09630	4.9
149.13263	9.8
150.13571	5.9
157.10162	9.4
159.11688	12.5
161.09604	7.3
161.13235	4.4
163.11244	5.4
165.12749	19.3
171.11694	6.6
173.13226	6.0
175.11101	4.8
176.12096	3.8
177.05478	4.0
177.12923	6.0
178.13148	3.4
179.14372	7.3
187.11198	4.0
191.14331	56.3
197.05984	4.7
203.14331	3.4
207.13757	25.4
211.14885	4.6
219.13847	10.9
227.17984	5.8
236.10777	3.6
237.09142	8.7
245.12904	3.8
245.19035	8.9
257.19116	5.0
259.20566	3.9
265.08667	5.0
269.17319	21.5
270.17810	71.7
287.20068	100.0
287.23218	4.2
301.11771	3.1
305.21127	12.2
407.16107	5.2
435.15598	3.1
451.85016	3.5
467.18875	5.0
467.26517	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	467.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01865	5.1
55.05515	16.6
57.03162	1.5
57.03438	23.8
57.07066	3.7
59.04990	2.6
61.02931	13.5
64.94067	1.2
65.03930	3.7
66.41730	1.6
67.05508	53.2
69.03433	19.6
69.06732	1.5
69.07073	15.7
69.31244	4.2
69.31656	7.0
71.01353	10.6
71.04972	4.4
73.02921	100.0
79.05499	45.6
79.05925	0.8
81.03424	6.6
81.07059	54.8
81.07536	2.8
83.04974	4.8
83.08634	7.9
85.02109	1.5
85.02908	15.5
85.06528	3.4
87.04472	3.4
87.36382	1.6
90.47193	1.7
91.05485	35.4
93.06486	2.7
93.07047	41.2
94.17270	1.3
95.04986	10.4
95.08611	45.9
95.64648	1.3
97.02902	11.2
97.06521	6.4
97.10182	3.7
99.04468	4.3
99.08105	1.7
103.03941	5.0
105.07031	30.8
107.04953	4.5
107.08601	26.6
109.06510	4.7
109.10166	26.2
111.08087	3.6
114.18905	1.3
115.03942	14.7
115.05363	1.5
117.07027	12.9
119.08581	21.7
121.06522	3.6
121.10141	22.4
123.08085	3.5
123.11710	6.1
125.06031	1.7
125.09632	2.9
128.06209	2.2
129.05472	2.2
129.06981	5.5
130.20209	1.4
131.08562	18.2
133.04945	3.0
133.06519	1.7
133.10135	17.9
135.08057	2.9
135.11682	15.5
137.09642	3.8
137.13297	2.1
139.07558	1.4
139.11134	2.0
141.06989	2.3
141.08994	1.8
143.08601	5.0
145.10114	17.3
147.08038	2.4
147.11685	14.2
149.09608	3.1
149.13266	8.1
155.08566	3.2
157.10126	5.0
159.08089	2.1
159.11734	13.6
161.13240	7.8
163.14822	4.2
168.19461	1.4
169.10161	4.4
171.06581	2.7
171.11690	5.6
173.09648	2.3
173.13300	9.2
175.11108	2.1
175.14854	2.6
177.12737	1.7
179.60318	1.4
182.10980	1.3
183.11700	3.1
185.13309	4.2
187.11206	1.7
187.14853	4.1
189.12746	2.1
191.14314	2.0
199.14825	2.6
201.12685	2.7
201.16418	1.6
203.14281	2.3
213.16356	1.5
213.94412	1.5
225.16403	1.8
243.21027	2.2
259.20599	2.4
261.22147	6.2
273.22223	1.5
289.21414	1.9
291.23477	2.0
301.21887	1.9
303.23093	3.7
315.23029	3.0
321.22107	1.8
329.24783	1.7
333.24280	1.9
335.25854	20.1
339.23166	5.3
357.24176	6.3
363.25458	2.5
375.25388	2.6
413.26984	1.7
431.27896	5.8
449.28903	6.1
467.30124	26.8
467.36298	1.8
468.30289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.0
57.03432	2.0
57.07080	33.5
59.04992	3.7
65.03945	2.2
67.05507	100.0
69.07071	10.6
70.93880	2.5
71.05000	2.7
71.08635	20.6
79.05495	3.4
81.07056	31.9
83.08626	14.7
85.06533	3.2
85.10187	12.9
89.06019	1.6
91.05484	6.9
93.07046	6.7
95.04942	1.0
95.08612	29.0
97.06503	1.2
97.10176	4.9
99.08126	1.1
100.47915	0.9
105.07055	3.0
107.08597	5.4
109.10159	75.0
110.10526	1.0
111.08099	3.6
111.11705	1.6
117.07013	1.6
119.08588	7.8
121.10140	2.7
123.11679	5.8
133.06448	1.0
133.10133	2.1
135.11717	1.5
137.09607	3.6
137.13268	4.0
145.10223	1.9
147.11720	2.0
151.14821	1.1
155.10732	3.3
159.11703	2.3
161.13284	1.0
173.11766	24.7
173.13191	1.0
177.91910	1.0
183.11859	1.0
189.16460	1.3
196.80220	1.0
203.96904	1.0
239.23656	6.7
467.37439	74.4
468.37549	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	467.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43774	3.9
53.03946	5.0
55.05507	30.0
57.07081	29.5
59.05015	3.8
67.05508	83.4
69.03435	5.3
69.07073	38.0
70.01379	3.7
71.08627	11.6
71.48859	6.4
79.05494	29.0
81.07061	98.5
83.08624	18.7
85.06563	21.5
85.10179	9.2
89.06049	8.2
91.05491	24.3
93.07050	51.2
95.04956	4.1
95.08616	100.0
97.06540	8.8
97.10164	10.5
99.08103	6.0
100.87234	4.0
105.07036	42.9
107.08595	62.7
109.10162	83.1
111.08074	8.8
111.11713	7.1
112.99643	3.4
117.07020	7.1
119.08590	45.2
121.10152	44.0
123.08029	5.2
123.11707	24.4
125.09640	6.7
131.08557	23.4
133.08607	5.4
133.10117	33.8
135.11664	20.8
137.13231	13.5
143.08578	13.3
145.10138	27.0
147.11708	22.0
149.13280	19.8
150.45895	3.9
151.11160	5.3
157.10156	15.3
159.11707	28.6
161.13292	25.9
163.14845	17.3
171.11708	12.7
173.11829	7.5
173.13324	11.9
175.14806	9.2
177.16380	7.0
183.11702	8.0
185.13275	14.4
187.14818	15.4
189.16415	10.3
191.17995	4.8
197.13319	5.0
198.85480	3.7
199.14771	6.7
201.16451	8.4
203.14400	4.0
203.17989	8.1
211.14885	5.5
213.16362	7.2
215.14339	4.6
215.18028	8.3
217.15974	7.0
227.17851	6.1
229.19568	4.6
233.15369	12.5
235.17039	5.4
313.51913	3.7
431.36703	8.5
449.37897	28.2
467.38757	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	468.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01874	1.5
62.06099	1.3
67.05501	1.7
69.03437	2.6
69.07073	1.3
70.04358	1.1
70.06591	10.1
71.48450	1.4
72.08160	3.6
74.06072	1.7
79.05502	1.9
84.08134	3.2
85.02906	3.7
86.09720	6.1
93.07076	1.6
95.05028	1.8
96.08144	2.8
102.05540	1.4
107.04960	100.0
108.05277	1.6
110.06045	2.8
110.07185	2.0
116.07088	1.3
119.04929	3.4
120.08099	2.9
122.06042	3.5
123.04427	6.8
124.07567	5.7
129.10240	2.5
136.07584	8.2
140.07097	2.5
147.04430	4.0
154.08636	12.4
164.07076	6.0
165.05513	4.5
182.08136	80.1
200.09196	34.3
239.07228	1.4
241.08617	4.2
243.10178	2.2
261.10220	2.1
288.12286	23.5
288.15274	1.5
305.14877	1.7
306.13080	1.8
307.10889	2.0
313.36600	1.2
433.04376	1.1
468.23135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3086
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05503	0.9
56.05036	1.1
57.03433	0.8
57.07078	3.5
58.06601	1.4
60.08163	17.2
60.92258	0.4
64.64482	0.4
67.05501	1.2
69.07047	1.2
69.31176	2.4
69.31593	1.5
70.06597	0.5
71.07374	6.3
71.08614	2.2
75.93431	0.5
77.46619	0.5
79.05489	0.6
81.03376	0.6
81.07030	1.3
82.95967	0.4
83.08624	0.5
85.10183	1.5
86.09707	48.6
93.07057	0.5
95.08603	1.7
98.98477	3.7
100.71946	0.4
104.10744	100.0
105.07037	0.6
105.11067	0.6
107.04948	1.8
109.10154	1.1
109.86758	0.5
111.11810	0.5
119.08551	0.6
121.10196	0.6
125.00004	26.9
133.10106	0.5
135.81371	0.4
163.01593	1.0
184.07343	95.0
185.07761	0.5
198.06575	0.5
200.08380	0.5
229.08563	1.5
257.08066	3.6
258.08798	1.0
258.11227	0.9
285.24182	2.6
385.47144	0.5
450.29861	7.3
468.21661	2.9
468.30875	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	469.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
56.05030	7.1
57.84659	3.7
63.68052	3.2
69.03417	6.4
69.07066	4.7
70.06592	25.9
71.48476	5.3
72.08148	9.7
74.06051	4.8
79.05516	4.7
81.03422	3.7
81.07016	3.8
82.06539	4.1
83.06102	11.0
84.04510	4.4
84.08134	8.9
85.02898	10.9
86.09692	10.2
94.06545	3.4
96.08109	5.3
97.02860	5.0
106.31255	3.2
107.04941	36.5
108.05344	4.3
108.08112	10.3
110.07121	7.6
110.09642	5.2
120.08112	31.2
122.06016	5.3
124.07576	11.1
127.03956	5.9
129.10219	4.2
136.07584	46.7
138.09135	25.3
142.08649	6.1
148.07556	13.4
162.09117	4.3
164.07057	24.9
166.08604	14.8
178.08644	25.6
187.14314	5.5
200.09219	8.2
202.08780	4.9
205.09613	6.4
215.11842	5.4
216.11388	45.1
219.11313	4.5
229.09811	5.0
243.14957	48.4
246.07872	3.7
247.10851	10.4
265.11887	10.2
271.14429	56.2
276.62054	4.0
289.11887	10.7
289.15457	100.0
307.12848	36.0
307.16492	25.9
363.16553	19.4
369.61057	4.9
409.16000	7.3
451.17084	38.3
469.22205	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.5
53.46496	4.3
54.16112	4.4
55.01878	10.0
55.05510	8.7
57.03426	11.6
61.02921	13.1
67.05508	17.9
69.03437	58.6
69.07061	12.7
69.07717	5.0
69.54605	10.9
69.55010	22.5
70.06595	22.9
71.04996	7.4
72.08138	10.3
73.02922	5.7
79.05503	26.4
81.03418	16.6
81.07073	36.8
83.04993	11.8
84.08148	9.8
85.02908	100.0
86.09721	11.7
87.04487	8.6
91.05490	24.1
91.17504	4.2
93.07052	37.7
95.04976	12.6
95.08611	47.4
97.02888	29.1
98.20870	10.3
99.04470	10.0
103.05473	8.3
103.12307	4.8
105.07026	40.3
107.04956	21.4
107.08624	26.3
109.02883	8.5
109.06519	28.0
109.10156	20.2
111.04453	11.6
115.03951	5.7
116.98322	5.2
119.08593	29.3
120.08138	8.7
121.06496	19.0
121.10139	67.4
123.04462	5.5
123.08058	22.6
123.11675	5.6
127.03918	20.7
128.88107	4.9
129.05478	17.2
129.06996	12.1
130.07802	5.0
131.08574	16.1
133.06511	11.8
133.10135	28.6
135.08046	14.8
135.11655	28.8
136.07571	6.0
137.06017	7.4
137.09663	6.9
139.11212	8.2
141.07014	7.1
143.08580	15.1
145.04942	10.7
145.06459	9.0
145.10083	29.6
147.08055	13.0
147.11710	17.6
149.05997	5.4
149.09575	11.4
151.07552	26.0
155.07141	6.8
155.08522	14.9
156.09373	4.7
157.10130	20.1
158.10951	5.1
159.08069	20.4
159.11697	26.3
160.08820	6.9
161.09625	16.5
167.07048	14.4
169.08701	6.9
169.10135	18.2
171.08105	11.5
171.11665	15.8
172.08783	8.2
173.09616	22.9
173.13268	14.7
175.07364	5.4
175.11252	6.5
175.14769	7.1
177.09146	12.5
177.16473	6.6
180.09317	4.9
181.10193	10.5
183.11711	15.3
185.09717	13.0
185.13242	8.2
187.11217	25.8
187.14864	9.7
189.09122	6.0
191.10617	9.0
195.10147	8.8
195.11731	6.9
197.09605	22.4
197.13283	7.8
199.11221	13.0
199.14874	9.1
201.09091	6.1
201.12741	9.9
203.14377	8.0
205.12303	4.6
209.11678	10.1
211.11272	9.0
211.14836	7.6
213.12721	11.4
215.10663	58.9
215.14282	9.4
224.62097	4.8
225.16476	10.9
227.14334	18.7
229.15950	10.9
233.11760	12.6
235.14775	5.9
241.15746	11.9
243.17438	11.3
245.15364	5.1
253.15918	51.9
256.10764	5.2
271.16888	75.9
289.17987	81.5
307.19168	33.5
331.54874	4.8
367.07217	5.8
469.23438	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38414	4.1
53.03939	13.1
55.01866	10.7
55.05506	12.8
57.03440	13.4
61.02929	16.3
67.05499	20.9
69.03438	58.6
69.07070	12.1
69.49538	7.1
69.49944	20.3
70.06596	13.4
71.04981	4.7
71.48680	3.8
72.08150	5.3
73.02925	8.9
75.51107	3.4
79.05504	22.7
81.03421	18.3
81.07055	29.4
83.04969	11.0
85.02906	100.0
85.03388	7.7
85.06562	7.5
86.09714	5.3
87.04465	11.4
91.03947	4.6
91.05492	27.1
93.07049	43.1
95.04971	16.2
95.08616	58.8
97.02897	37.6
97.06545	6.6
98.20840	4.9
99.04453	11.1
104.02282	3.6
105.07040	42.4
107.04969	25.0
107.08592	48.6
109.02875	13.6
109.06503	24.1
109.10163	23.9
111.04426	7.3
117.07037	9.3
119.08570	36.2
120.08098	5.2
121.06516	14.7
121.10148	84.0
123.04490	4.0
123.08076	31.7
123.11722	10.0
125.05976	5.4
127.03873	20.2
128.06236	9.1
129.05489	4.7
129.07013	8.5
131.08528	25.5
133.06499	10.4
133.10127	31.8
135.08066	17.2
135.11697	41.7
136.07518	8.3
137.06004	9.4
137.09625	6.1
143.08600	13.2
145.04941	11.3
145.10147	30.4
146.07126	4.2
147.06947	3.7
147.08063	15.6
147.11708	6.3
149.05981	14.0
149.09613	13.0
151.07550	21.0
153.06818	4.1
153.09077	6.3
155.07047	14.0
156.09416	9.8
157.10162	16.9
159.08052	22.1
159.11708	19.8
160.08781	5.7
161.09621	17.0
163.07582	5.5
163.11200	4.4
167.07112	24.7
169.08617	9.8
169.10146	19.4
170.10886	6.9
171.08055	16.9
171.11673	10.9
172.08907	4.6
173.09695	25.2
173.13300	18.4
175.11206	8.9
175.14879	6.3
177.09103	10.1
179.08571	5.7
183.11746	13.1
185.09633	11.2
185.13295	7.8
186.10457	4.5
187.07573	4.1
187.11235	26.9
187.14783	9.1
189.09169	7.0
191.10713	9.1
195.10065	5.0
195.11728	7.8
197.09637	23.8
197.13235	9.2
199.11223	15.0
199.14824	7.9
201.09087	5.7
201.12871	5.9
201.16277	5.2
203.10583	6.0
203.14420	10.9
205.16051	5.2
209.11778	11.7
211.11224	8.5
211.14786	4.1
213.12721	6.9
215.10681	59.8
223.11203	4.3
225.16370	12.7
227.14302	17.2
229.12283	7.3
229.15869	13.5
231.13727	5.8
233.11761	18.1
235.14894	9.3
241.15889	8.7
243.17502	6.4
245.15408	6.8
247.17125	6.6
253.15875	50.9
271.16925	80.2
271.22702	5.5
289.17990	79.0
307.19055	29.6
451.22971	9.9
451.32666	6.4
469.17325	4.9
469.24283	25.2
469.34158	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11002	5.9
50.42682	5.5
53.03946	17.2
55.01862	16.8
55.05508	32.9
57.03421	16.3
61.02930	14.7
67.05505	38.2
68.27769	6.4
68.99796	8.4
69.03429	52.2
69.07061	42.3
71.04995	31.0
73.02893	12.8
79.05503	36.2
81.03414	55.0
81.07058	100.0
83.04976	16.1
83.08585	13.9
85.02908	56.6
85.24326	5.6
86.09715	8.9
87.00824	21.9
91.05485	43.8
93.07039	58.9
95.04972	25.2
95.08607	82.7
97.02879	36.1
97.06528	15.3
97.10198	10.2
99.04442	10.2
99.08089	8.9
103.03944	10.4
105.01855	15.3
105.07042	79.6
107.04961	49.9
107.08607	53.2
109.02876	25.2
109.06532	13.8
109.10155	59.5
109.33395	5.2
111.04446	22.3
111.08045	11.4
111.11740	7.6
115.03963	18.1
117.07020	16.5
119.04947	12.6
119.08590	71.5
121.06527	27.2
121.10145	58.8
123.04431	23.9
123.08095	13.4
123.11688	32.9
125.05962	8.2
125.09631	11.7
127.03887	31.0
127.11195	33.3
128.06213	14.4
129.01834	17.5
129.07021	12.9
131.04950	16.8
131.08575	41.8
133.06487	12.5
133.10129	51.9
135.08015	14.3
135.11674	38.7
137.05969	23.4
137.09654	16.0
137.13210	6.6
139.11194	6.1
141.06989	9.3
142.07806	9.2
143.08577	22.5
145.10130	46.0
147.02954	10.2
147.04395	8.3
147.08063	15.1
147.11687	37.2
149.09624	9.2
149.13246	23.6
153.12755	8.8
155.08553	12.2
156.09317	10.1
157.10150	29.6
159.08122	10.0
159.11688	47.6
161.05910	7.0
161.09633	14.3
161.13242	22.5
163.11143	7.5
167.08655	7.5
169.10103	9.4
171.11688	18.3
173.05956	7.3
173.09731	10.6
173.13307	14.4
175.11127	12.9
175.14824	15.0
177.12791	6.0
179.07030	15.7
183.11650	10.2
185.13223	11.0
187.11253	8.7
187.14868	14.6
189.03894	7.0
189.09155	7.1
189.12715	9.7
189.16400	24.4
191.08707	10.7
195.11658	9.8
197.13356	8.9
201.12753	6.6
201.16383	24.6
203.17989	20.0
207.11696	7.6
209.09720	6.5
215.14433	7.1
215.17982	15.9
219.08165	8.5
219.13782	6.9
219.17462	7.3
221.18962	13.6
225.12698	13.6
227.06851	6.6
227.17897	13.3
231.17424	6.5
233.18973	9.0
237.09169	11.9
241.08464	7.0
243.13760	14.1
243.17444	11.4
245.18904	13.2
261.09262	8.0
263.20190	6.7
265.08606	25.9
285.11200	7.2
287.70416	5.7
289.25101	7.8
307.09671	7.5
311.20001	30.3
329.21106	17.1
415.21216	8.5
433.22620	7.0
451.23343	27.7
453.53635	6.8
469.15656	11.0
469.24673	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	469.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01872	3.0
55.05506	6.0
60.23137	2.4
67.05508	18.2
69.03450	4.2
69.07066	7.4
69.24847	5.3
69.25264	19.7
79.05505	22.5
81.07059	100.0
83.05014	2.8
83.08613	3.3
85.06503	4.4
91.05505	15.7
93.07037	20.1
95.08614	19.9
97.06521	6.2
99.08100	4.9
105.07031	21.3
107.08611	24.6
109.06528	41.8
109.10167	10.2
111.08125	3.3
111.58313	2.6
117.07021	3.6
119.08565	22.1
121.06451	2.9
121.10098	13.2
123.08051	9.3
123.11716	6.5
125.09627	3.6
129.07043	4.1
131.08568	12.6
133.10121	16.7
135.08092	12.0
135.11719	9.2
143.08554	8.1
145.10144	15.1
147.11673	12.6
149.09612	8.3
149.13280	3.4
151.11256	3.4
155.08545	3.6
157.10187	12.8
159.11703	18.4
161.09610	4.0
161.13268	7.3
163.11137	7.5
169.10127	7.3
171.11726	6.3
173.13309	11.1
175.11290	3.7
175.14793	3.7
177.12729	4.7
179.10637	4.0
181.10139	2.8
183.11729	7.1
184.79582	2.5
185.13301	7.6
187.14798	7.2
189.12747	5.7
197.13306	6.2
199.14807	5.1
201.12770	6.8
203.14372	7.6
203.17879	2.8
205.15848	3.3
213.16391	6.6
215.14189	3.1
217.15837	3.9
221.13441	3.8
223.14676	3.5
227.14369	3.9
227.17857	3.5
229.15791	2.7
243.17476	3.8
245.18907	6.0
251.17873	3.0
259.20694	3.7
271.20639	4.6
287.20123	3.2
289.21609	17.2
351.26724	3.9
353.24661	2.8
361.25198	2.9
367.26468	3.4
379.26215	23.7
391.74124	2.6
397.27380	97.2
398.27628	5.5
451.32022	8.7
469.32907	12.1
476.35291	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	469.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	44.3
57.07077	77.3
59.09092	4.0
66.35535	4.8
67.05508	48.9
68.05840	5.0
69.07070	100.0
71.08639	37.6
71.49156	9.4
74.54568	4.4
79.05505	14.0
81.07062	68.3
83.08614	61.1
84.08905	4.6
85.10168	21.8
89.06045	10.4
90.06343	4.6
91.05478	13.2
91.61514	3.6
92.69467	4.4
93.07056	18.2
94.05023	4.3
95.08607	86.1
96.02850	5.2
96.08955	4.8
97.10160	40.4
103.05492	8.1
105.03415	8.7
105.07027	15.8
107.08576	23.3
109.10159	52.0
111.08095	5.1
111.11697	27.3
115.05473	15.0
117.07020	34.9
119.08594	12.2
119.44849	4.2
121.10127	20.2
123.11722	19.7
125.13253	10.6
128.06233	12.3
129.07013	21.6
131.04927	13.1
131.08572	22.9
133.02829	4.8
133.08652	7.0
133.10138	8.9
135.04451	4.3
135.11696	9.4
137.13245	10.4
138.24007	4.0
141.07022	12.9
143.04916	7.5
143.08571	15.5
143.22794	4.1
145.06479	67.3
145.10167	8.9
146.11282	4.6
147.04393	28.2
147.11685	5.7
149.02304	4.8
149.06004	6.8
149.13260	7.7
153.06966	5.1
155.08554	20.3
157.06506	50.0
157.10136	9.1
159.04443	12.0
159.08009	8.8
159.11668	7.4
161.05945	41.2
161.13274	5.8
165.06993	10.0
166.07764	13.4
167.08623	14.8
169.06509	7.8
169.10155	10.8
171.08046	31.5
173.05980	69.9
173.13257	5.6
179.08553	7.6
180.09308	5.9
181.10123	17.0
183.08046	14.9
185.06012	11.4
185.09706	7.6
187.07550	73.2
191.14340	14.1
193.10065	12.5
194.07373	4.9
195.08122	14.9
195.11710	12.4
197.09625	26.6
197.13242	5.2
199.07556	22.6
199.11220	6.9
201.09091	9.9
203.07082	9.1
208.08836	4.7
209.09616	15.5
209.13329	6.1
211.11203	16.4
213.09131	8.0
213.12802	7.9
215.10715	5.8
219.11784	7.6
223.11229	11.6
225.12804	13.5
227.10710	7.9
229.12193	7.1
235.16989	10.9
237.12785	12.9
239.14418	6.3
241.12299	4.7
243.13654	5.6
251.14317	14.7
255.13805	9.7
269.15311	5.3
283.17477	6.7
348.80746	4.8
363.60809	4.7
409.34610	17.8
433.34662	19.5
451.35596	50.5
469.36484	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
57.03430	0.2
61.02928	0.5
62.36166	0.1
65.03937	0.5
65.34994	0.1
67.05509	0.2
69.03430	3.3
70.06595	1.2
71.09054	0.3
72.08138	0.3
77.82919	0.1
81.03413	0.4
83.94411	0.1
84.04494	0.2
84.08150	0.7
85.02906	1.6
86.09707	0.6
89.05415	0.2
91.05483	5.1
97.02892	0.8
99.04429	0.2
107.04961	0.9
109.02849	0.3
110.06059	0.2
110.07159	0.2
114.59026	0.2
119.04947	15.2
120.05245	0.2
124.07670	0.2
127.03041	0.3
127.03905	1.6
129.10217	0.5
133.06494	0.2
136.07539	0.2
141.07083	0.1
144.91023	0.2
147.04411	100.0
148.04741	0.9
165.05496	1.3
180.06537	0.2
213.54176	0.1
272.45209	0.2
291.08646	1.5
291.13300	0.2
309.09680	18.6
310.49216	0.2
344.44971	0.2
345.04651	0.3
404.33179	0.2
439.86832	0.2
471.15112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
56.05024	1.2
57.92664	0.3
58.06615	1.6
64.48355	0.4
67.05502	0.5
69.03428	1.0
69.07075	0.4
69.17445	1.3
69.17866	2.1
70.06599	5.3
72.08165	0.8
73.15132	0.3
74.06084	4.9
79.05500	1.2
81.03417	0.5
84.04527	1.1
84.08149	1.9
85.02903	0.9
85.06564	0.4
86.06077	0.4
86.09705	4.0
91.05482	1.7
93.07059	0.4
95.04961	1.3
100.11263	0.5
103.05468	1.2
105.04520	0.8
107.04963	100.0
108.05301	1.2
109.06525	0.7
113.07146	0.8
119.04961	1.3
120.08118	17.4
129.10249	0.7
131.08179	0.4
136.07597	1.5
140.07066	0.3
147.04436	4.2
159.07739	1.2
163.11201	0.5
166.08690	2.1
167.07056	0.5
168.06577	0.6
177.10229	1.1
186.07631	0.6
192.10214	0.4
199.10840	0.4
205.09789	1.9
205.12236	0.6
223.13348	0.5
235.35123	0.4
242.15189	0.3
249.12329	3.4
260.13831	0.6
267.13538	2.1
278.15326	0.5
291.08331	0.4
291.19507	0.5
306.14545	3.5
415.80212	0.4
453.21381	1.3
471.15948	0.4
471.35797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01852	3.0
55.05508	5.2
57.07061	1.9
65.03930	1.5
67.05508	12.6
69.03428	2.8
69.07070	9.1
71.01371	1.3
71.05002	2.0
79.05493	30.2
81.03401	1.6
81.07058	100.0
83.04996	1.2
83.08602	3.5
85.06524	3.9
85.26936	0.8
91.05482	19.3
93.07041	15.6
95.04970	3.5
95.08611	11.4
97.06559	2.4
97.10208	1.1
98.20720	1.6
103.05478	2.8
105.04474	1.2
105.07033	23.6
107.04951	2.0
107.07880	1.5
107.08593	23.0
109.06521	45.3
109.10174	6.3
111.08088	3.3
115.05443	1.9
117.07007	9.3
119.04873	1.1
119.08583	21.8
121.06509	4.1
121.10159	9.9
123.08073	4.0
123.11691	3.1
128.06209	3.2
128.08267	0.9
129.06993	5.2
130.07762	2.0
131.08575	22.4
133.06451	1.6
133.10138	18.9
135.08057	18.3
135.11653	5.7
137.09602	2.6
140.73602	1.1
141.06963	2.0
142.07796	5.4
143.08559	15.9
144.09305	2.2
145.10126	30.1
147.08060	3.9
147.11703	11.8
149.09624	16.8
151.07597	1.3
151.11179	2.2
153.06955	1.2
153.09116	1.6
155.08557	5.0
156.09323	4.1
157.08815	1.4
157.10126	26.8
158.10921	3.2
159.08098	2.9
159.11700	28.4
161.09619	15.8
161.13237	6.2
163.11165	2.8
165.06952	2.1
165.09088	1.3
167.07083	1.2
167.08563	2.0
167.10721	1.0
168.09361	3.9
169.10123	8.3
170.10884	2.7
171.11693	14.3
172.12448	1.5
173.09627	5.6
173.13263	12.7
175.11189	8.0
175.14839	3.1
177.09116	3.1
177.12717	2.3
179.08536	2.3
179.10704	3.4
180.09314	1.5
181.10135	5.3
182.10909	1.7
183.11705	14.0
185.09590	2.7
185.13252	14.4
187.11275	6.3
187.14787	8.5
189.08989	1.2
189.12712	5.9
191.10608	2.1
192.09334	1.1
193.10112	2.4
193.12270	3.0
194.10947	2.0
195.11658	5.9
196.12477	1.5
197.13231	5.7
199.11165	5.1
199.14857	8.6
201.12762	11.9
201.16412	14.5
203.10626	2.4
203.14352	3.7
205.12299	1.3
207.11688	3.2
208.12503	1.4
209.13347	4.7
211.11166	1.6
211.14821	2.8
213.12785	2.3
213.16371	1.6
215.14317	5.5
215.17920	6.4
217.12206	2.4
217.15863	4.8
219.11728	1.3
219.13802	2.8
219.17427	1.5
220.12355	1.1
221.13284	3.7
223.14807	6.2
225.12712	2.8
225.16399	7.0
227.14333	4.0
229.05305	1.5
229.12251	2.2
229.16011	1.9
231.13901	1.7
233.15387	4.1
233.18944	1.7
235.14792	2.8
237.16362	1.7
239.14294	1.1
239.17934	2.0
241.15863	2.9
243.13823	3.9
243.17459	17.1
245.15349	8.1
247.14920	1.8
249.16330	3.1
251.14366	1.7
251.17955	1.7
253.15817	3.1
255.17467	2.0
257.15369	1.3
257.19003	2.7
259.17020	2.2
261.18512	4.3
263.18045	2.2
265.16028	2.1
265.19177	1.8
267.17334	4.9
269.15363	1.1
279.21024	1.9
281.19067	2.3
283.16846	1.4
285.18481	9.6
289.19507	1.7
291.17422	1.1
293.19025	2.5
301.18018	1.1
302.18900	1.2
303.19473	8.3
307.20572	4.7
308.21085	1.7
309.18506	4.4
309.22128	16.9
311.20059	1.8
313.18198	1.0
323.20169	1.9
323.23700	6.6
325.21503	3.5
327.23318	1.5
333.22195	3.6
341.24890	1.1
349.21524	1.7
351.19373	1.7
351.23239	16.9
352.23389	1.6
353.21280	1.8
365.24741	1.5
367.22723	4.0
369.24255	13.8
375.23135	1.2
393.24286	7.2
411.25287	15.1
429.26523	2.1
453.33395	1.1
471.27386	45.6
472.27521	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72115	2.2
54.52541	1.9
55.01856	2.2
55.05500	10.0
57.03422	3.7
57.07069	4.5
57.29204	2.0
57.31622	2.3
57.35545	2.1
67.05511	15.7
69.03472	3.1
69.07066	15.0
71.04973	3.0
79.05494	20.9
81.03418	2.3
81.06596	4.4
81.07059	70.6
83.04978	3.1
83.08609	7.1
85.06495	3.9
85.34418	2.0
87.04455	2.4
91.05487	20.3
93.07043	29.7
95.08613	37.6
96.08893	2.2
97.06522	4.6
97.10146	3.9
105.07044	24.1
107.08609	31.6
109.06519	28.5
109.10176	22.9
111.08020	2.0
117.07007	8.7
119.08601	34.1
121.06438	2.1
121.10144	26.8
123.08060	6.2
123.11693	9.1
126.17844	2.2
129.06967	5.7
131.08560	17.1
133.10132	26.2
135.08032	9.0
135.11732	15.0
137.09590	4.5
137.13254	4.0
142.07790	3.3
143.08554	10.0
145.10132	21.6
147.11679	14.3
149.09659	11.4
149.13269	8.0
151.11186	4.6
155.08531	4.8
157.10118	18.9
159.11679	22.5
161.09579	4.0
161.13260	12.0
163.11169	4.2
169.10121	6.7
171.11661	15.5
173.09677	4.7
173.13280	17.7
175.11147	4.3
175.14827	9.8
177.12819	3.0
177.16475	3.2
181.10172	3.9
183.11641	10.7
185.13306	13.9
187.14835	13.2
189.16418	13.3
193.12248	5.4
195.11745	5.4
197.13263	6.2
199.14815	8.5
201.12717	6.8
201.16396	9.5
203.14333	4.3
209.13373	3.8
211.14740	4.7
213.16377	4.9
215.17993	10.7
223.14795	3.7
225.16402	4.0
227.14252	7.1
227.17877	4.5
228.97810	2.7
229.15886	3.4
229.19542	11.8
251.18054	3.0
255.20956	4.5
273.22192	4.3
295.24289	3.0
311.23566	3.1
335.27289	4.2
337.24969	2.4
353.28619	2.8
363.26868	15.4
381.27933	51.2
382.28030	3.1
399.28979	100.0
400.29349	3.6
417.31790	2.9
435.32565	9.1
453.33701	14.2
471.34598	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	471.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.0
57.07075	6.2
67.05512	26.0
69.07074	24.8
69.15096	19.4
71.08655	2.3
79.05506	17.8
79.86255	1.6
81.07062	52.3
83.08628	13.7
91.05493	13.4
93.07055	37.1
95.04995	2.3
95.08615	100.0
96.08939	2.3
97.06512	1.9
97.10162	6.9
97.31684	1.7
99.08070	2.3
105.07041	18.1
107.07882	3.2
107.08605	57.4
109.06558	1.6
109.10168	66.0
111.08050	2.6
111.11731	3.8
113.09635	2.9
119.08593	20.1
121.10149	49.8
123.11710	28.5
125.09647	3.5
127.11182	2.3
131.08554	3.0
133.10143	16.2
135.11702	36.0
137.13303	14.1
139.11156	2.6
145.10130	5.5
147.11690	15.5
149.13260	21.2
153.12772	14.9
159.11702	4.8
161.13289	14.6
161.82219	1.8
163.14844	19.2
173.13271	5.8
175.14842	8.5
176.54068	1.9
177.16423	7.1
179.14290	2.6
187.14833	3.1
189.16376	9.9
191.17979	51.5
196.91270	1.6
201.16484	3.3
203.18013	9.8
203.19540	1.8
205.19565	8.5
207.17484	2.6
217.19551	8.5
219.21046	2.1
231.21115	3.7
243.20993	4.1
261.22083	2.4
263.23840	1.9
299.27371	4.0
331.29971	4.9
345.31308	2.6
381.81680	1.8
427.59195	1.9
453.40854	6.0
471.41876	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45420	4.2
55.05511	29.8
57.07066	15.8
67.05508	38.2
69.07063	30.7
71.01759	3.3
71.08620	3.7
71.48747	4.5
71.49233	6.2
79.05504	19.5
81.07056	57.5
83.08634	21.3
91.05479	18.1
93.07047	38.6
95.04982	4.5
95.08616	93.5
97.10165	19.7
105.07029	29.6
107.04979	4.3
107.08584	57.2
109.10160	88.1
111.11720	4.4
111.24195	4.4
113.09634	8.7
119.08576	29.6
121.10157	48.1
123.11707	32.1
131.08501	7.3
133.10159	30.1
135.11687	39.1
137.13269	23.1
145.10143	12.8
147.11722	20.8
149.13258	25.0
153.12738	19.0
157.10095	5.6
159.11758	21.8
161.13251	9.0
163.11264	5.0
163.14819	14.6
169.10132	4.8
173.13232	7.6
175.14859	13.7
177.16396	9.8
187.14742	7.8
189.16411	18.2
191.17964	100.0
203.17931	13.7
205.19511	4.7
217.19516	14.2
247.37932	4.6
261.22055	5.8
299.27487	5.4
321.76428	4.0
333.05939	4.0
453.40976	13.1
471.36115	9.1
471.42413	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	473.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94112	0.4
53.03935	1.6
55.01883	0.7
57.03424	0.4
67.50526	0.5
69.03422	1.8
69.07063	0.6
70.06600	3.8
71.47937	0.5
71.48372	0.6
72.08147	1.3
77.03944	0.5
79.05485	1.0
81.03418	1.1
84.04522	0.8
84.08132	1.5
85.02911	2.9
86.09706	4.9
91.05483	0.5
95.04980	1.7
97.02880	1.1
103.05474	1.0
105.04544	0.5
107.04958	100.0
108.05283	1.0
109.02856	0.7
111.69102	0.4
116.07063	0.6
118.06557	1.0
118.28548	0.4
120.08147	0.6
124.07594	1.4
127.03925	0.9
130.06532	27.1
132.08092	0.5
136.07588	0.5
136.87688	0.4
137.05997	0.7
138.09102	0.6
144.08083	2.5
145.04964	0.9
146.05995	5.0
154.06549	0.7
159.09142	0.5
170.06015	0.7
170.08176	0.9
188.07079	8.6
200.07126	1.8
202.60158	0.5
205.09770	7.3
206.09738	1.7
210.91583	0.5
222.09196	1.6
231.05649	0.4
233.08467	0.4
234.09131	5.6
236.10616	0.5
247.10910	0.5
248.10735	2.5
276.10281	0.7
294.11221	10.2
311.13858	7.4
427.18985	0.6
455.33331	0.4
456.16544	8.7
473.19348	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	473.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.55294	0.3
61.02922	0.3
69.03422	0.8
69.12685	1.5
69.13113	1.6
70.06600	2.1
71.05047	0.3
72.08138	0.8
74.40591	0.3
74.41100	0.3
77.03922	0.3
79.05495	0.9
81.03407	0.9
84.04504	0.5
84.08137	0.8
85.02901	2.9
86.09714	1.6
91.05471	0.4
95.04969	1.0
96.08113	0.4
97.02907	0.8
105.04561	0.7
107.04958	100.0
108.05272	0.6
109.02888	0.6
118.06563	0.9
120.08115	0.5
124.07642	0.4
127.03922	0.4
129.10255	0.5
130.06529	27.6
131.04921	0.3
131.06877	0.6
132.08128	0.4
136.07600	0.6
144.08105	2.8
146.06010	4.8
147.04460	0.4
154.06541	0.9
156.08069	0.6
158.06075	0.9
159.09213	0.7
170.06026	0.9
182.06044	0.5
188.07065	9.4
191.07285	0.4
200.07109	1.7
205.09738	6.9
206.09645	1.7
212.20847	0.3
222.09174	1.6
234.09140	5.5
235.09830	0.3
236.10738	0.4
246.09114	0.3
248.10789	2.3
294.11237	10.0
310.83072	0.3
311.13873	6.5
315.87268	0.4
367.14835	0.3
376.62851	0.3
410.16333	0.4
427.18622	0.6
456.16550	8.0
457.17026	0.4
473.19162	4.6
474.19504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01873	6.0
55.05512	28.6
57.03439	23.7
57.07082	10.0
61.02608	3.5
61.02929	67.8
65.03914	2.0
67.05505	38.9
69.03432	35.0
69.07072	42.1
71.01356	2.5
71.04988	6.7
71.08633	5.6
71.49302	2.7
73.02917	29.7
75.04472	3.1
79.05492	22.9
81.03419	21.9
81.06589	3.7
81.07054	46.7
83.04972	5.0
83.08167	2.0
83.08620	28.1
83.85677	1.8
85.02906	66.6
85.10157	3.4
87.04469	3.7
91.03956	36.0
91.05476	9.0
93.07053	23.3
95.04996	3.9
95.08611	40.8
97.02896	47.5
97.03524	2.4
97.06525	5.1
97.10180	21.4
99.04468	10.7
99.08081	3.2
101.02351	8.7
103.03956	8.8
105.07037	6.7
107.04963	3.7
107.08603	14.6
109.02879	13.8
109.06511	2.5
109.10156	17.6
111.04457	2.1
111.08106	2.9
111.11720	7.8
115.03928	4.7
117.05489	2.9
117.07036	2.4
119.08599	5.9
121.06486	1.9
121.10143	32.1
123.11745	10.3
125.09638	4.2
125.13300	2.4
127.03929	22.7
129.05501	4.7
133.06456	2.3
133.10110	2.2
135.11702	21.9
137.13232	9.0
139.11249	2.4
143.08595	2.7
145.04955	10.4
145.10127	2.6
147.11694	1.8
149.13231	9.8
151.14847	2.4
157.10088	2.0
159.06584	2.8
161.13356	2.1
163.14848	5.3
165.05617	2.6
171.11774	2.2
177.16353	2.0
183.06500	5.9
187.14792	2.0
199.07367	2.0
201.07567	5.6
207.13794	2.5
219.21065	14.2
237.22125	29.8
277.21454	2.7
311.25812	100.0
339.25381	3.3
345.24329	3.1
346.16519	5.3
419.27798	3.3
445.27191	2.4
455.30188	5.7
473.31714	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	473.3993
Annotation	20beta,28-Epoxytaraxaster-21-en-3beta-ol
Peak:m/z	Relative Intensity
55.05512	15.5
56.04971	3.2
57.07080	30.1
65.96860	2.6
67.05515	17.2
69.07074	33.7
79.05499	17.0
81.07063	54.9
83.08619	20.9
91.05462	17.3
93.07056	38.7
95.04967	6.8
95.08614	51.7
97.06533	9.0
97.10181	4.2
98.12143	2.9
105.07029	24.7
107.08601	46.4
109.06527	5.1
109.10155	36.9
111.08081	6.3
111.11689	5.9
117.07030	8.9
119.08578	42.1
121.10151	37.1
123.08072	4.9
123.11710	14.5
131.08568	13.4
131.71280	3.0
133.10135	38.7
135.08081	4.9
135.11697	19.1
137.09624	14.4
137.13237	19.6
139.11150	3.7
143.08569	7.8
145.10121	16.4
147.11673	23.2
149.13277	15.3
151.11203	26.5
157.10135	9.4
159.11710	21.5
161.13278	16.6
163.11230	4.4
163.14847	13.5
169.12294	6.4
171.11641	7.4
173.13318	16.6
174.03218	3.9
175.14842	13.5
179.14355	8.7
183.11646	4.1
185.13269	6.6
187.14877	9.6
189.16411	5.2
197.13124	3.6
199.14842	8.4
201.16386	6.8
211.14816	4.2
217.15866	4.0
229.00163	3.5
229.19518	3.9
239.18083	4.1
250.06252	34.7
275.19958	3.2
281.22604	8.4
284.97513	3.2
297.25671	3.6
306.12613	13.8
353.28690	3.7
362.18805	31.4
418.25003	17.0
437.37775	7.0
455.38876	77.6
456.38931	3.9
473.34091	8.2
473.40015	100.0
474.31299	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	474.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	2.0
60.04524	1.5
69.03464	2.3
70.06593	9.7
71.48572	1.6
72.04510	2.3
72.08144	9.2
74.06089	3.1
79.05572	1.8
84.04510	5.7
84.08152	8.2
85.02889	3.1
85.06512	2.1
86.09708	25.9
90.05556	6.3
95.04986	1.7
101.07141	2.3
107.04959	100.0
110.07113	1.8
120.08121	4.8
126.35332	1.6
128.07092	2.7
129.10245	5.2
136.07584	7.0
137.07959	2.2
143.11824	1.9
146.06049	2.0
187.14510	2.7
188.09203	6.8
201.36366	1.8
206.10251	21.2
215.13916	2.2
228.10213	2.3
242.14975	3.4
312.18164	2.7
474.18167	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	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	19.9
55.05513	12.2
62.94743	12.9
69.03440	88.2
69.07056	13.6
70.06599	33.9
70.33659	25.3
70.34050	15.6
70.93130	10.7
72.02593	9.5
78.98454	10.1
79.05482	10.7
81.03422	36.1
81.07071	29.5
85.02908	74.6
86.09720	16.8
87.00812	25.0
88.33662	9.8
91.05483	33.9
91.40324	9.6
93.07053	14.5
95.04992	21.6
95.08596	21.1
97.02908	35.0
99.04491	17.4
99.51839	10.2
105.01924	11.5
105.07033	44.4
107.04960	59.6
107.08626	71.5
109.02866	36.9
109.06536	14.6
109.10146	11.0
114.85893	12.1
119.08584	48.4
120.08133	14.1
120.08923	20.7
121.06509	15.9
121.10145	31.4
122.06065	10.8
123.08022	10.6
125.09657	12.2
127.03906	59.1
131.08586	47.6
133.10146	13.6
135.07990	13.4
137.09703	14.0
145.05019	26.7
145.10095	20.7
147.11653	44.3
148.12015	19.2
149.09636	19.0
149.13235	13.8
151.07567	17.4
152.07922	13.1
158.10912	21.8
159.02940	18.0
159.11636	12.0
162.13576	25.6
163.14885	14.2
171.11797	13.0
173.13260	79.4
189.12822	22.5
190.13156	15.1
191.14314	100.0
207.13831	60.2
208.14227	63.3
209.15387	90.7
226.15024	11.4
285.25024	12.1
474.18237	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	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05519	3.7
55.30247	1.9
57.03446	2.8
60.20896	1.9
60.52513	1.7
67.05510	2.1
68.12660	1.8
69.03424	8.3
69.07069	4.4
70.06599	3.7
70.08488	1.7
71.04996	2.0
71.21886	3.6
79.05489	3.8
81.03414	5.9
81.07040	3.2
85.02911	10.9
86.09714	15.4
87.00820	5.7
87.10018	4.2
91.05485	5.6
93.07051	6.2
95.08623	2.2
97.02899	5.9
97.06545	4.4
99.04443	2.9
105.01875	5.3
105.07024	18.9
107.04952	9.4
107.08593	8.1
109.02878	3.0
109.10172	2.5
113.85425	1.6
117.07051	2.7
119.08589	28.5
121.10141	6.9
127.03939	8.3
131.08571	5.5
132.09320	3.0
133.10138	65.4
137.09589	2.3
145.04967	4.0
145.10112	8.2
146.11769	2.7
147.11693	100.0
149.02390	2.4
149.09657	3.8
149.13268	2.1
157.10204	2.3
165.09242	3.3
171.11751	1.9
173.09659	2.1
173.13281	10.3
191.14310	59.9
198.11284	9.5
226.17929	2.5
231.05099	1.9
255.37422	2.2
324.71750	1.7
360.16495	3.1
440.23141	2.0
449.08847	1.9
472.33148	2.0
474.23077	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	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.1
57.07076	2.3
58.64384	1.9
63.24244	2.1
65.10157	2.5
66.34747	2.4
67.05507	5.1
69.03432	34.6
69.07047	6.7
70.06583	3.6
70.21555	2.0
79.05482	7.5
81.03419	5.8
81.07053	6.2
83.04968	8.3
85.02895	8.8
85.06535	2.5
86.09693	3.3
87.00829	2.3
91.05464	7.4
93.07036	6.1
95.08611	9.0
97.02898	5.8
97.06522	4.5
98.43903	2.0
98.97600	3.5
105.07019	7.9
107.04951	9.2
107.08593	81.9
108.88303	1.9
109.02850	3.4
109.06517	5.6
109.10107	2.8
111.08080	3.7
119.08556	6.2
121.10152	15.9
123.11714	8.3
125.09661	14.2
127.03921	6.5
129.10222	2.7
131.08525	7.6
133.10118	7.6
135.08034	11.6
135.11685	4.1
140.07060	2.3
145.04985	3.0
145.10133	6.1
147.04440	3.1
147.11714	4.6
148.11984	3.0
149.09566	4.5
149.13251	9.1
153.09099	7.5
158.10954	4.3
158.99646	2.6
165.09059	4.1
165.12802	4.1
168.06490	2.8
173.13257	22.5
191.14317	100.0
207.13809	2.7
208.14063	4.7
209.15373	79.4
231.05019	2.5
363.21768	2.4
457.13934	3.7
473.82111	11.7
474.31369	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	475.1579
Annotation	Peperomin F
Peak:m/z	Relative Intensity
52.84526	1.5
53.03942	4.2
55.01859	3.2
55.05495	2.4
57.03426	3.8
67.05478	3.1
69.03432	13.4
69.07079	4.2
69.63435	11.3
69.64056	2.7
70.06595	17.3
71.04984	22.6
72.08150	6.6
74.06072	5.9
76.36404	2.1
79.05493	2.6
80.26060	2.0
81.03414	11.6
81.07037	5.2
83.08603	2.4
85.02916	22.2
85.06534	9.1
86.09702	23.8
87.00821	8.5
91.05476	3.2
93.07028	3.8
94.59329	2.0
95.08607	4.2
97.02875	9.3
97.06553	3.1
98.97586	5.9
99.04455	93.3
105.01852	3.5
105.07037	4.8
105.48443	2.0
107.04949	16.0
107.08579	10.4
109.02880	10.1
109.06562	3.4
109.10149	7.5
113.09643	2.8
116.07084	5.9
120.08092	16.5
121.10117	6.1
123.08086	11.9
123.11711	8.3
125.09621	3.7
127.03953	14.5
131.05023	3.2
133.10117	14.3
139.11211	3.1
145.04938	4.2
146.48090	2.0
147.11736	2.2
149.09534	4.0
149.13287	6.4
151.11182	3.7
155.08160	2.4
158.99687	2.7
159.02904	4.2
166.08644	2.7
167.10738	3.1
169.12248	18.6
173.13226	4.5
183.13792	22.8
191.14322	8.2
209.15353	15.1
215.13885	4.2
227.16412	70.7
229.15463	4.5
233.16527	5.7
261.15891	14.1
265.08490	2.4
267.13452	2.9
337.09924	2.4
359.12924	2.8
391.12497	2.1
413.15750	4.4
429.15250	12.7
457.14459	8.7
475.15732	100.0
475.32410	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	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01876	3.0
55.05507	1.5
57.03442	3.7
61.02919	2.8
64.20708	1.1
67.05504	4.9
69.03435	15.6
69.07072	3.5
70.06599	10.0
70.20121	4.4
71.04993	29.7
72.08150	2.1
73.02929	1.8
74.06097	2.6
79.05495	2.4
81.03422	13.4
81.07044	3.7
83.04971	1.7
83.08630	3.8
85.02910	27.0
85.06543	9.2
86.09711	13.8
87.00833	10.5
91.05484	3.6
93.07057	4.6
95.04974	2.3
95.08601	4.5
97.02891	8.4
99.04459	100.0
105.01872	5.2
105.07024	5.3
107.04944	7.2
107.08598	16.6
109.02893	11.8
109.06534	4.5
109.10159	9.2
113.09663	2.2
116.07079	2.1
117.01884	2.0
119.08572	1.9
120.08104	9.7
121.10167	8.4
123.08074	13.1
123.11695	8.2
125.09654	5.1
127.03919	15.1
129.01801	1.6
131.08557	1.3
133.10141	12.1
137.05998	1.4
139.11200	2.5
141.09135	1.3
143.17033	1.1
145.04958	4.0
147.11661	2.5
147.15364	1.2
149.09625	33.0
149.10771	2.0
149.13268	5.7
151.11197	5.0
159.02917	5.3
165.12733	1.6
166.08699	1.9
167.10719	3.8
169.12267	18.9
173.13286	5.7
183.13808	27.3
187.16942	1.5
191.14337	9.2
199.57881	1.2
209.15390	21.9
211.17014	1.5
215.14063	1.4
227.16429	84.1
229.15474	3.2
231.05080	2.9
233.16570	3.1
261.16040	8.0
267.13257	1.6
337.06512	1.3
475.15640	6.8
475.32803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01871	4.4
55.05492	6.9
56.03397	2.8
64.34660	3.0
64.84416	3.1
67.05506	8.8
69.03410	12.7
69.07066	15.0
70.06590	13.7
71.04999	4.0
71.47987	4.0
72.08150	6.2
78.46870	2.5
79.05486	8.5
81.03400	6.3
81.07044	10.8
83.04979	3.4
84.04499	3.8
84.08156	5.2
85.02892	17.7
85.11877	2.6
86.09708	83.1
87.00825	6.4
88.03971	4.4
91.05466	8.3
93.07040	13.6
95.08607	17.5
97.02881	5.4
97.06530	7.0
99.04475	3.8
105.01861	4.6
105.07001	4.6
107.04965	100.0
107.08610	16.2
109.02899	4.5
109.06475	3.4
109.10164	13.1
119.08580	6.6
120.08134	6.9
121.10151	30.5
123.08049	5.1
123.11733	4.0
127.03889	13.0
127.11203	18.8
131.08565	6.1
133.10158	23.5
135.08098	7.0
135.11690	4.3
137.05983	4.6
137.09619	8.3
137.13281	6.7
145.10172	5.5
147.11690	4.2
149.09647	48.5
149.13251	13.4
151.11163	6.5
153.09137	6.3
163.14865	15.6
165.12744	5.3
173.13295	22.4
185.05573	8.5
191.14337	29.2
199.03679	4.0
202.81670	3.6
203.06723	4.2
209.15393	38.0
227.16423	83.5
245.18799	3.8
265.08603	3.6
313.11746	11.4
328.86356	3.4
359.12628	4.3
457.15955	4.5
475.11261	4.6
475.17789	6.5
482.55396	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48702	1.0
51.92678	1.4
52.12489	1.2
52.42768	1.2
53.03942	3.7
55.01868	5.0
55.05512	2.7
57.03431	3.7
61.02924	2.8
67.05507	4.1
69.03435	13.9
69.07082	3.1
70.06596	2.2
71.04999	25.0
71.21600	2.8
72.08157	2.2
72.48188	1.1
73.02931	2.5
79.05510	1.8
80.78001	1.3
81.03422	13.6
81.07058	5.5
83.05001	1.5
83.08629	4.1
84.08150	1.3
85.02911	24.3
85.06554	8.4
86.09708	10.8
87.00831	10.8
91.05484	3.7
93.07053	3.7
95.04993	2.9
95.08609	5.5
97.02910	7.5
99.04461	100.0
105.01887	4.7
105.07064	6.5
107.04960	23.0
107.08610	12.1
108.05301	8.9
109.02896	9.6
109.06535	4.3
109.10185	6.5
113.09657	4.6
119.08613	2.4
120.08138	1.4
121.10136	7.7
123.08076	15.4
123.11707	11.4
125.09606	6.9
127.03926	14.5
129.01866	1.9
131.08528	1.8
133.10130	13.6
137.05986	2.7
137.09683	1.6
139.11179	3.6
145.04955	5.3
146.11787	1.2
147.11685	3.4
147.24492	1.2
147.37981	1.3
149.09671	2.5
149.13293	7.2
151.07590	2.2
151.11189	6.1
153.09070	3.0
159.02927	6.5
165.12816	2.5
167.10670	4.5
169.12239	10.8
173.13234	6.6
183.12187	2.1
183.13818	34.5
183.15376	2.5
185.16585	1.7
191.14276	7.3
209.15388	26.1
213.16190	1.7
227.16437	89.3
228.16833	1.8
231.05112	1.5
263.14212	3.1
337.86191	1.5
382.92307	1.3
423.95197	1.4
475.16803	2.2
475.32404	9.7
493.81372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01859	2.8
57.03441	2.7
57.07082	1.4
60.86275	1.3
61.02921	1.3
67.05503	4.5
69.03438	16.1
69.07077	3.3
70.06577	1.4
71.04993	30.9
71.08691	2.4
71.09034	1.8
71.49159	1.4
73.02938	1.7
77.84697	1.3
79.05505	1.7
81.03419	13.4
81.07076	4.2
83.04980	1.4
83.08632	2.9
83.23695	1.3
85.02906	27.4
85.06554	10.6
86.09678	1.3
87.00845	13.7
91.05487	4.8
93.07047	3.7
95.04991	2.6
95.08598	6.1
97.02898	9.9
97.06550	2.5
99.04458	100.0
105.01893	6.0
105.07036	6.1
107.04967	5.4
107.08615	16.4
109.02882	10.1
109.06539	5.3
109.10161	9.2
111.11660	1.4
113.09662	5.8
119.08601	3.6
121.10143	9.1
123.08075	17.9
123.11715	10.9
125.09670	7.2
127.03918	17.9
129.01888	2.3
131.08562	2.1
133.10129	16.8
135.11737	1.8
139.11142	2.8
141.09152	1.4
145.05002	5.3
145.10130	2.6
147.11688	4.6
149.13286	5.8
151.11197	5.7
159.02948	5.6
165.12747	3.0
167.10696	3.5
169.12256	21.7
173.13272	8.9
183.13831	27.7
191.14305	8.0
192.14644	2.3
209.15382	18.5
211.16920	2.1
227.16425	91.2
231.05115	2.0
261.15866	1.6
364.41022	1.3
429.32730	1.6
432.25085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01872	5.1
55.05509	7.6
57.03437	4.4
67.05518	15.1
68.89766	1.8
68.99812	1.9
69.03424	11.4
69.07060	10.1
70.06576	3.4
70.34204	6.9
71.04996	18.7
73.02905	2.7
79.05485	6.2
81.03412	9.1
81.07056	22.9
83.04987	5.1
83.08624	4.1
85.02912	18.9
85.06509	3.6
86.09730	2.1
87.00825	7.6
91.05488	10.8
93.07050	22.2
95.04969	8.2
95.08620	28.1
95.86753	2.1
97.02901	8.8
97.06535	7.0
99.04462	100.0
99.08127	4.9
101.06023	2.3
105.01838	2.3
105.07038	20.5
107.04971	38.3
107.08598	31.9
109.02882	5.8
109.06532	5.1
109.10170	28.2
110.23226	2.0
111.08078	3.2
119.04921	3.3
119.08579	17.2
121.10165	31.3
123.11720	24.7
124.12045	2.2
127.03895	10.4
131.04933	2.5
131.08543	3.7
133.06511	2.2
133.10150	36.0
134.10556	2.0
134.53856	2.3
135.08046	9.4
135.11691	18.7
137.05981	2.6
137.09641	6.2
137.13280	3.5
139.11186	3.0
145.04965	3.6
145.10100	4.4
147.08076	2.1
147.11694	7.8
149.09604	2.9
149.13242	15.5
151.03931	2.3
151.07660	2.1
151.11176	6.4
159.02884	2.4
163.11183	3.5
163.14830	20.8
165.09148	5.6
165.12721	3.0
165.16383	9.3
165.17630	2.1
167.07143	2.3
173.13232	14.4
175.14827	22.8
187.07422	2.2
191.10677	3.2
191.14307	28.5
193.15862	17.5
207.06555	8.2
209.15381	72.4
211.16881	2.4
214.93745	1.8
227.16432	64.5
247.04550	2.6
279.08725	2.8
313.10739	4.9
333.13623	2.4
475.15289	4.2
475.32639	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.9
51.83538	1.9
53.03949	10.2
55.01863	4.6
55.05512	25.6
57.03425	6.4
57.07056	2.5
62.28188	1.5
65.03923	5.9
67.05506	89.6
69.03422	2.1
69.07066	24.9
71.04984	3.4
71.09469	2.5
76.14290	1.5
77.03923	2.9
79.05495	96.3
81.03403	8.5
81.07057	100.0
83.04986	16.6
83.08621	13.2
85.06541	7.1
91.05483	71.3
91.05926	1.1
93.07047	96.6
95.04974	24.8
95.08608	44.2
97.06553	12.9
97.10160	5.2
99.08088	2.7
101.05970	1.8
105.04528	4.6
105.07034	43.9
107.04948	7.8
107.08602	40.6
109.06512	6.2
109.10147	4.7
111.08075	6.3
115.05436	2.4
117.07032	15.2
119.08576	21.7
121.06528	2.4
121.10149	15.7
123.08067	6.4
123.11704	2.4
129.07031	13.6
131.08569	9.4
133.10150	15.2
135.11693	10.6
137.09587	2.1
143.08560	7.8
145.10126	6.7
146.64371	1.5
147.08051	2.8
147.11691	35.1
149.13274	23.6
159.11697	10.8
161.09656	4.4
161.13261	14.0
171.11682	29.5
177.12724	6.6
179.14301	2.0
182.66188	1.8
188.04967	1.6
189.12764	12.9
195.13826	7.3
207.13815	34.3
218.02995	1.6
218.31410	1.7
225.14937	4.3
229.22545	1.7
281.17328	1.8
304.26379	2.3
343.83383	1.8
475.30603	75.2
476.31256	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	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01863	3.1
55.05503	14.4
56.81839	2.4
56.96134	2.3
57.03446	23.5
57.06797	3.1
57.07074	52.5
61.02928	56.6
67.05501	30.7
69.03431	26.9
69.07074	16.4
71.04993	4.9
71.08630	36.2
73.02911	25.4
79.05486	12.0
81.03416	22.3
81.07054	35.8
83.04967	4.8
83.08633	24.6
85.02901	53.3
85.10185	23.2
87.04462	5.9
88.55975	2.8
90.41868	2.4
91.03952	37.6
91.05477	9.0
93.07040	13.3
95.08606	37.8
97.02894	48.5
97.10164	9.8
99.04445	11.2
101.02368	11.0
103.03915	9.5
105.07018	10.1
107.04945	5.6
107.08617	6.4
109.02883	13.5
109.10161	21.2
111.11722	2.6
113.09662	3.0
115.03934	7.0
119.08578	6.5
121.06488	12.7
121.10133	7.2
123.11712	10.6
125.82169	3.0
127.03911	22.2
129.05492	5.1
133.10123	4.5
135.11682	4.5
137.13214	4.8
145.04982	7.5
145.10190	3.0
147.04410	2.6
147.11714	4.1
159.11720	5.2
183.06554	5.5
197.05896	4.6
201.07567	4.2
207.10269	3.1
239.23676	29.2
257.24738	6.1
288.74390	2.5
313.27347	100.0
336.51953	3.0
341.26743	3.5
356.12967	2.6
385.29553	2.8
475.33334	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29008	1.0
51.52153	1.1
53.03947	3.7
53.56141	1.0
55.01878	3.2
55.05504	7.5
57.03445	18.2
57.06795	1.7
57.07079	45.4
61.02928	57.8
64.86505	1.2
67.05507	16.9
69.03436	25.7
69.07071	11.7
71.01361	4.3
71.05003	3.7
71.08635	30.6
73.02922	22.8
75.04486	2.5
79.05511	1.7
81.03420	14.5
81.07059	20.6
83.04975	1.7
83.08624	14.8
85.02910	51.5
85.10185	17.6
85.44753	1.1
87.04476	2.9
91.03960	34.7
93.07047	2.3
93.68432	1.0
94.45083	1.2
95.08614	29.1
97.02896	47.3
97.10187	8.4
99.04449	9.3
99.11752	1.4
101.02374	10.8
101.46728	1.2
103.03947	5.7
109.02870	10.8
109.10159	12.2
111.04482	1.4
111.11743	2.5
115.03918	5.9
117.05515	3.1
123.04381	1.6
123.11714	7.5
125.13290	2.0
127.03925	19.0
129.05496	4.2
131.04927	1.7
137.13290	4.4
145.04985	7.2
159.06569	3.5
172.80502	1.3
183.06516	5.3
201.07640	3.6
211.66139	1.4
221.22679	1.9
221.29178	1.1
239.23705	27.8
255.67024	1.2
257.24762	5.7
313.27383	100.0
314.27637	2.3
341.26746	4.1
355.28357	2.4
457.31631	4.1
475.32819	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	475.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01852	4.2
55.05514	17.3
57.07063	14.1
67.05503	33.7
69.07076	19.2
69.24663	31.1
71.04993	16.9
79.05495	22.5
81.06605	4.9
81.07056	74.3
83.08611	9.8
85.06510	3.6
86.94069	2.8
91.05011	3.8
91.05490	29.5
93.07042	69.9
95.08613	68.8
97.10141	4.5
103.88497	3.2
105.07031	55.0
107.04955	5.1
107.08588	48.5
109.06487	10.0
109.10159	45.0
111.08051	11.9
113.09632	6.1
117.06989	7.3
119.08586	59.8
121.10139	43.6
123.11678	15.2
131.08569	31.2
133.10120	36.0
135.11671	23.1
137.09657	5.0
137.13216	5.6
143.08572	17.4
144.09274	4.3
145.10130	39.5
147.11659	32.6
149.13260	20.1
151.07559	7.7
155.08519	4.3
156.09361	5.3
157.10110	19.3
159.11705	44.7
161.13258	23.5
163.14828	9.4
169.10165	9.5
171.11652	17.6
173.13237	39.1
175.14781	13.8
177.16368	5.1
181.10181	4.8
183.11690	11.5
185.13260	15.9
187.14841	25.6
189.16310	11.5
197.13232	13.7
199.14781	15.3
201.16466	19.2
203.17871	7.5
211.14836	13.2
213.16422	21.4
215.17934	19.5
217.19534	8.6
223.14635	4.1
225.16336	6.7
227.17905	11.4
229.19516	6.4
239.17923	5.4
241.19525	8.0
243.21091	4.1
251.04680	23.1
253.19470	4.8
255.21039	8.2
257.22653	12.6
265.19437	3.6
269.22491	7.6
281.22333	4.0
283.24280	4.9
297.25638	3.5
307.10779	10.3
309.22195	3.8
323.27167	6.1
325.28870	9.6
337.29025	4.0
363.17270	21.5
475.21799	16.8
475.32507	67.1
475.39273	100.0
476.39395	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
69.24003	1.2
69.24431	1.4
75.56545	0.3
77.03913	0.3
79.05486	1.0
89.00809	0.3
95.04951	0.5
105.04512	0.4
107.04958	100.0
108.05296	0.7
125.52532	0.3
130.22046	0.2
133.07936	0.3
205.42729	0.2
266.91495	0.3
400.37372	0.3
438.43442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
58.19069	0.3
69.24290	0.5
69.24690	2.4
73.45062	0.3
77.03941	0.5
79.05480	1.6
95.04970	1.0
105.04530	0.6
107.04959	100.0
108.05310	0.7
202.66959	0.4
416.17126	0.4
481.41315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
51.22349	0.2
53.03944	0.8
53.80755	0.2
59.73442	0.2
71.44236	0.2
77.03935	0.4
79.05486	0.7
85.06538	0.4
95.04984	0.6
105.04516	0.4
107.04957	100.0
108.05302	0.6
119.86486	0.2
137.91817	0.2
145.08604	0.5
297.80109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03948	0.9
55.01861	0.2
69.50085	0.2
69.93410	0.8
77.03925	0.2
79.05511	1.1
80.96692	0.1
81.03384	0.2
83.88704	0.2
85.02895	0.3
85.06549	0.5
86.89867	0.2
93.07037	0.2
95.04967	0.7
98.20807	0.2
105.04526	0.4
107.04959	100.0
108.05289	0.9
128.42877	0.2
130.23311	0.2
145.08641	0.4
193.15947	0.2
211.16986	0.6
307.77188	0.1
311.86307	0.2
470.42618	0.2
497.55066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
57.97745	0.2
70.61685	0.6
73.11539	0.3
74.73605	0.3
77.03928	0.4
79.05476	0.9
81.03432	0.3
85.06544	0.4
88.07925	0.3
95.04936	0.8
105.04503	0.4
105.61562	0.2
107.04956	100.0
108.05296	0.9
145.08652	0.3
174.39883	0.3
249.98392	0.2
255.28087	0.3
282.68152	0.3
315.13086	0.3
384.89536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03938	0.9
59.02713	0.2
64.09707	0.2
69.86103	0.4
69.86517	0.8
73.48515	0.2
77.03925	0.5
79.05492	1.0
85.06515	0.2
88.04591	0.2
95.04980	0.6
95.55522	0.2
105.04516	0.4
107.04959	100.0
108.05280	0.5
137.02827	0.2
145.08571	0.4
183.49014	0.2
189.72141	0.2
310.60120	0.2
500.03421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84732	1.7
53.03933	2.9
55.05503	4.9
57.07097	2.4
67.05493	6.1
69.03415	5.3
69.07072	7.9
70.01844	2.8
70.02241	5.2
71.04993	5.8
74.86802	1.5
79.05499	11.1
81.03400	4.0
81.07053	13.9
83.08613	2.3
84.78616	1.5
85.02909	6.6
87.00825	3.9
91.05498	11.8
93.07050	19.0
95.04948	1.9
95.08608	27.3
97.02891	5.0
97.06519	2.1
99.04464	12.5
99.08066	6.5
100.04807	1.7
105.01878	5.9
105.07042	61.9
107.04961	71.3
107.08602	30.6
109.02866	1.9
109.06562	1.6
109.10145	4.7
113.09648	4.5
117.07013	2.8
119.08587	62.5
121.10123	7.0
123.08078	2.1
123.11687	5.3
127.03911	6.7
131.08556	2.6
133.10143	78.3
135.11699	42.6
137.09613	6.3
145.04970	4.5
147.11647	5.3
149.13257	3.6
173.13193	2.3
175.14836	100.0
176.15201	1.7
176.59171	1.8
190.18399	1.8
192.14578	3.1
193.12155	2.6
193.15852	12.1
209.15314	2.4
210.15697	3.5
227.16455	3.1
228.16774	3.4
231.05011	4.1
238.63858	1.5
249.06073	2.3
364.05164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05510	7.5
57.03440	7.0
57.07056	0.6
65.03931	0.9
67.05505	31.1
69.03404	0.4
69.07068	7.0
69.78012	2.1
71.04977	0.8
79.05493	15.2
81.07054	26.2
82.07376	0.6
83.04972	0.6
83.08620	2.7
85.06544	0.6
91.05478	7.6
93.07043	16.0
94.07312	0.5
95.04960	1.2
95.08604	17.6
97.06535	0.8
97.10165	0.9
98.21428	0.6
98.98449	0.5
103.84223	0.4
105.04470	0.4
105.07021	4.0
107.04971	0.6
107.08594	6.2
109.06528	0.6
109.10155	6.0
111.08057	0.7
117.07001	1.6
119.08594	3.2
121.10144	5.8
123.08047	0.7
123.11698	2.1
131.08583	2.4
133.10143	2.0
135.11674	2.6
137.13226	0.4
145.10133	1.4
147.11685	1.4
149.13249	1.4
159.11713	0.7
161.13231	1.0
163.14859	0.5
168.38246	0.4
173.13269	0.8
187.14749	0.4
198.05276	0.6
208.56731	0.4
216.06384	0.5
257.98099	0.4
261.22171	1.0
304.26328	3.5
335.25787	100.0
336.26181	2.2
389.59793	0.4
476.30911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05507	7.6
57.03440	3.7
57.07073	1.9
62.05800	2.3
62.06096	31.4
67.05515	27.0
69.07064	8.5
69.99909	9.0
71.11860	1.9
79.05501	17.7
81.07058	25.4
83.08620	3.3
84.56423	2.3
91.05492	9.8
93.07049	19.6
95.08607	21.6
97.06541	1.9
98.98473	7.8
105.07037	4.0
107.04980	3.5
107.08588	11.4
109.10181	7.5
119.08574	5.4
121.10144	8.2
131.08588	3.3
133.10130	4.2
135.11702	2.9
145.10110	3.9
148.28952	1.9
155.01048	2.4
161.13258	2.2
198.05264	2.4
216.06374	5.2
243.21127	3.0
261.22171	7.2
304.26389	9.4
335.25824	100.0
458.26862	4.6
476.27740	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90996	0.6
53.03937	1.9
55.05524	3.6
58.44161	0.6
59.04998	1.0
62.59356	0.6
65.03922	0.7
67.05504	2.8
69.03427	3.3
69.07066	2.7
70.06596	2.6
70.12986	1.6
71.04997	5.9
72.05319	0.8
74.84554	0.6
79.05497	2.9
81.03407	2.3
81.07070	3.6
83.04992	3.9
83.08633	2.4
85.02901	3.6
85.06543	2.7
87.00819	0.9
91.05498	1.8
93.07049	2.6
95.04992	2.7
95.08599	2.7
97.02927	1.4
97.10147	0.9
99.08108	1.1
105.04571	0.9
105.07043	2.3
107.04967	100.0
107.08588	3.4
108.05299	42.6
109.02885	1.8
109.06561	0.9
109.10168	7.8
116.89009	0.7
119.08591	1.5
121.06514	1.3
121.10154	8.7
122.07320	0.6
122.10484	3.9
123.08072	0.9
123.11737	3.9
125.09635	1.8
127.03972	1.4
127.11212	2.2
131.04919	0.9
133.10132	1.2
135.11732	2.7
137.06038	1.3
137.09634	13.1
138.09972	8.7
145.10210	0.7
149.13266	1.3
151.11221	1.0
153.12769	1.2
159.24535	0.7
159.87590	0.6
165.09175	0.6
167.14357	2.2
169.12234	4.5
175.14986	0.7
185.15417	1.8
193.15910	6.8
194.16251	5.0
209.15454	1.2
211.16956	12.8
211.18829	1.1
229.18005	15.9
248.16481	0.9
279.13718	0.8
297.57733	0.6
315.12430	1.0
328.19431	0.9
354.20746	2.4
361.08524	1.0
371.23462	1.2
385.23749	1.1
449.10831	0.8
459.34140	0.8
477.09561	2.0
477.27728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
54.11756	1.5
55.01868	3.0
55.05511	19.5
57.03423	3.2
57.07072	3.4
58.04872	1.3
59.04985	3.0
67.05506	10.7
69.03426	17.3
69.07074	8.8
71.04984	6.2
71.18887	2.9
79.05499	3.4
80.62390	1.4
81.03429	8.4
81.07071	11.5
83.04507	1.6
83.04986	24.7
83.08626	18.2
84.26663	1.6
85.02904	16.1
85.06557	10.6
87.00816	6.3
87.04465	2.8
91.05469	3.4
93.07044	8.3
95.04968	3.6
95.08616	10.1
97.02885	6.3
97.06509	3.2
97.10176	3.3
99.04453	2.9
99.08092	6.7
101.06031	2.0
105.01846	1.8
105.07010	4.4
107.04965	21.1
107.08587	12.7
108.05283	6.9
109.02862	5.9
109.06491	2.1
109.10161	41.3
111.08092	4.0
111.11733	1.7
113.06024	1.6
119.08562	5.2
121.10120	4.8
123.11707	19.7
125.09655	9.9
127.03909	10.7
127.11196	15.5
133.10112	4.5
135.11667	10.8
137.09572	2.7
145.10188	1.5
147.11676	2.5
149.13205	6.1
151.11194	5.4
153.12732	3.6
159.02867	4.7
159.11555	1.5
167.14316	16.5
169.10843	2.6
169.12239	37.6
175.14818	4.8
185.15387	13.7
193.15857	12.7
198.11310	2.2
199.11650	2.0
209.15372	2.6
211.16933	82.6
212.17218	2.0
217.12627	1.6
229.18011	100.0
230.18361	2.7
247.36980	1.6
253.17856	2.0
427.92068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01860	5.4
55.05513	19.0
57.03433	3.5
58.62717	1.3
59.04983	3.0
61.02909	1.8
67.05511	14.6
68.99770	1.5
69.03432	12.2
69.07061	9.7
69.08765	1.6
70.06563	2.1
71.04989	3.5
71.48573	1.8
77.49899	1.3
79.05492	10.2
81.03418	10.5
81.07063	17.9
82.92442	1.3
83.04983	14.5
83.08623	12.1
85.02905	12.0
85.06551	7.7
87.00834	3.5
91.05470	8.8
93.07040	11.8
95.05009	8.3
95.08624	10.4
97.02892	4.5
97.06512	3.0
97.10171	7.1
99.04433	2.4
99.08113	3.1
101.06042	1.8
103.05462	1.9
105.01874	1.6
105.07027	6.9
107.04961	100.0
107.08594	13.1
108.05294	39.7
109.02861	4.6
109.06512	4.8
109.10160	24.0
111.08085	1.9
117.07000	2.7
119.08589	9.5
121.02965	1.3
121.06499	5.1
121.10181	7.3
123.08051	1.7
123.11732	12.5
125.09624	9.5
127.03912	5.3
127.11215	7.1
129.07002	2.2
131.04884	2.6
131.08542	3.2
133.06494	2.8
133.10095	7.2
135.08003	2.6
135.11702	6.8
137.06030	1.7
137.09563	4.8
145.04971	2.8
145.06476	3.1
145.10091	3.7
147.04428	1.6
147.07933	1.7
147.11655	3.1
149.09619	1.9
149.13254	5.1
151.11166	3.1
151.14818	2.3
153.12822	1.7
157.10162	2.6
159.02808	2.1
159.08011	1.6
159.11607	1.6
165.09122	21.1
167.14365	7.7
169.10149	1.5
169.12260	20.5
171.11630	2.4
175.11052	1.3
175.14818	3.1
185.15338	9.5
189.11208	3.4
189.12743	1.8
193.12184	2.3
193.15877	3.9
209.15257	1.7
211.16930	45.0
227.12689	2.6
229.17995	59.8
233.15459	2.8
251.08318	1.9
267.15915	1.9
273.14960	1.7
339.23013	1.4
349.21536	2.1
367.22614	6.3
385.23776	9.7
393.11383	1.6
403.24640	3.2
459.27618	7.5
460.14505	2.7
477.15979	4.2
477.28186	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	477.2844
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03184	6.3
53.03947	10.6
53.62157	2.6
55.01878	17.8
55.05516	75.8
57.03442	15.0
57.07070	4.9
61.09162	2.6
65.03924	6.6
67.05510	95.4
69.03438	14.3
69.07075	42.9
69.81798	7.4
69.82194	5.8
71.01362	2.5
71.04986	10.5
79.05498	93.3
81.03428	22.4
81.06592	5.6
81.07059	92.3
82.07399	2.9
83.04998	20.0
83.08621	46.4
84.54107	2.7
85.02909	7.0
85.06557	4.9
90.06904	2.5
91.05483	78.1
93.07051	69.6
95.04970	17.4
95.08611	38.9
97.02912	5.9
97.06542	8.9
97.10180	48.8
99.71290	2.9
103.05473	13.1
105.07033	57.1
107.04955	52.6
107.08590	44.9
108.05284	9.3
109.06536	12.6
109.10141	23.4
111.04424	4.5
111.08091	10.4
115.05479	9.1
117.07025	56.4
119.04977	5.0
119.08575	43.4
121.06490	16.9
121.10179	21.8
123.04443	4.2
123.08086	5.7
123.11681	7.1
125.09640	46.6
127.03886	4.5
128.06264	11.2
129.05521	4.7
129.07018	42.1
130.07803	3.5
131.04965	8.7
131.08585	43.8
133.06488	15.4
133.10100	18.7
135.08080	18.2
135.11700	8.0
137.05981	5.0
137.09644	4.7
141.07021	14.3
142.07779	8.0
143.08574	31.1
145.06491	20.4
145.10124	33.1
147.08067	15.5
147.11729	14.4
149.09650	8.4
149.13268	13.5
151.07663	4.3
153.06985	6.7
153.09163	5.0
155.08588	23.6
157.06525	7.8
157.10155	22.6
159.08107	18.0
159.11720	24.3
161.06111	3.3
161.09628	7.1
161.13235	6.2
163.11156	14.8
165.07004	4.3
165.09203	8.2
167.08597	14.6
168.09377	5.1
169.10152	23.3
171.08061	12.3
171.10237	4.9
171.11659	22.8
173.09641	11.5
173.11884	4.4
173.13292	9.2
175.11156	7.1
177.12724	5.5
179.08598	4.9
181.10130	10.4
181.12363	4.9
183.11755	13.0
185.09689	7.4
185.13248	10.1
187.11237	6.0
187.14842	9.3
189.11249	29.0
189.12755	6.4
193.10252	4.9
193.12250	4.2
195.08076	6.2
195.11725	11.0
195.13626	3.6
197.09669	8.2
197.13292	20.8
199.11200	11.1
199.14824	3.8
201.12727	4.1
201.83481	2.9
203.14412	3.5
207.11723	4.0
209.09808	4.3
209.11664	7.8
209.13312	10.1
211.11224	5.2
211.14743	6.6
213.12796	10.7
215.14311	41.8
216.14661	3.2
217.12350	3.4
223.11331	6.6
225.12749	8.6
227.12743	10.7
231.13895	9.2
233.13353	4.5
233.15358	15.3
237.12880	6.7
239.14394	3.6
243.13914	4.5
245.13863	3.5
251.14349	3.8
257.15326	6.3
269.15579	4.7
285.22412	3.6
289.18088	4.1
297.22168	4.8
311.23727	3.4
313.21887	4.0
325.21515	8.1
331.20493	6.1
337.21768	4.6
339.23257	12.9
349.21594	27.7
357.24261	7.4
359.22028	3.7
367.22720	55.0
385.23755	50.0
387.25302	5.3
399.25562	4.3
403.24780	22.0
417.26404	7.7
423.25064	6.8
429.26556	7.3
441.26404	36.9
459.27444	83.7
459.33850	3.9
460.27960	4.7
477.18280	4.0
477.28506	100.0
478.29022	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	477.2849
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.77995	2.9
55.01860	10.6
55.05516	28.4
57.03440	18.6
57.07078	3.7
62.91705	2.4
67.05507	36.5
68.26746	2.9
69.03426	12.7
69.07073	25.6
70.21185	10.3
71.01355	3.4
71.04981	6.9
71.08630	3.3
73.02912	6.2
75.04488	2.6
75.47153	2.6
79.05493	37.2
80.01389	2.2
81.03413	24.3
81.06604	3.0
81.07058	42.4
83.04977	12.7
83.08636	11.6
85.02922	5.3
85.06553	3.2
91.05482	45.5
93.07049	37.3
95.04985	12.2
95.08606	25.8
96.11773	2.4
97.02888	5.3
97.06535	5.2
97.10183	6.0
98.97590	3.1
99.04435	7.7
103.03928	3.6
103.05461	4.4
105.07033	43.1
107.04955	11.6
107.08576	23.2
109.06522	6.7
109.10162	8.9
115.05465	9.2
117.07005	41.4
119.08594	32.7
121.06503	8.7
121.10171	16.5
123.04456	3.0
123.08091	5.5
123.11686	3.2
125.09550	2.4
128.06223	15.0
129.05508	3.2
129.07005	41.6
130.07841	6.3
131.04935	6.5
131.08571	49.3
133.06500	6.5
133.10150	19.2
133.61203	2.5
135.08023	4.9
135.11693	8.1
137.06033	2.8
141.06985	25.4
142.07753	11.3
143.08553	43.2
144.09290	3.4
145.06509	13.2
145.10121	35.3
147.08073	8.8
147.11671	13.2
149.09628	3.8
149.13242	3.0
153.06973	5.4
154.07759	7.3
155.08560	30.9
157.06546	12.3
157.10133	34.7
158.45377	2.8
159.08043	17.6
159.11687	23.3
161.05981	4.3
161.09653	4.5
161.13284	6.0
165.07039	6.3
166.07768	5.1
167.08569	20.1
168.09311	7.1
169.06461	3.8
169.10127	30.8
170.10872	3.8
171.08028	16.1
171.11674	29.4
173.09651	9.8
173.13246	13.5
175.11205	3.8
178.12259	2.8
179.08592	7.3
180.09334	4.2
181.06522	5.0
181.10057	16.6
182.07265	3.8
183.08057	12.2
183.11703	28.3
184.08804	2.6
185.09633	11.6
185.13258	14.8
187.07541	3.3
187.11217	7.6
187.14879	5.2
189.12755	3.0
191.08623	3.8
192.09312	3.3
192.20427	3.1
193.10161	7.8
195.08072	6.7
195.11655	16.3
197.09663	9.5
197.13220	15.3
199.11221	12.2
199.14833	5.0
201.12820	6.1
207.11794	4.3
209.09625	6.7
209.13318	9.1
211.11220	11.0
211.14816	6.5
213.12784	9.7
213.16360	2.6
215.10707	5.3
215.14122	2.8
219.11769	6.2
221.13243	5.3
223.11171	7.2
223.14810	5.8
225.12778	6.8
225.16446	3.6
227.14441	3.4
229.12396	3.4
235.11324	3.9
235.15022	2.8
237.16461	3.6
239.14346	4.3
241.12135	6.5
251.14333	6.8
271.20578	4.6
283.20667	3.2
285.22119	3.6
295.20688	5.7
297.22180	6.0
299.20303	3.3
301.21835	4.7
307.20670	6.4
309.22055	2.3
311.20227	3.7
313.21741	9.6
321.22189	9.5
325.21472	15.2
329.20947	3.1
331.20279	3.6
337.21741	7.9
339.23120	15.7
343.22839	5.6
349.21487	26.1
355.22549	4.9
357.24182	6.0
363.25345	3.8
367.22675	44.3
373.23856	10.0
375.25565	4.0
385.23697	30.3
387.25323	8.0
395.18204	3.1
399.25284	9.6
403.24734	5.7
413.26935	6.0
417.26184	15.7
423.25293	11.4
429.26379	16.1
431.27478	3.7
441.26367	79.5
442.27045	3.7
459.27350	71.6
477.28479	100.0
478.28775	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
50.60364	2.2
53.02967	2.9
53.03189	3.8
53.03944	7.5
55.01865	8.7
55.05513	28.0
57.03439	13.2
57.07079	4.1
59.04987	3.0
61.02931	2.1
62.62590	1.8
65.03928	4.3
67.05508	44.5
69.03443	13.9
69.07072	22.9
69.68914	4.1
69.69329	7.5
70.06571	2.3
71.01363	2.2
71.04984	8.7
75.42046	2.0
79.05495	43.0
81.03413	25.9
81.06590	4.0
81.07056	62.4
83.04984	9.4
83.08624	14.7
85.02895	8.4
85.06541	3.4
91.05485	46.7
93.07044	41.7
94.81831	2.0
95.04955	12.1
95.08611	37.6
97.02893	7.5
97.06532	8.8
97.10148	9.9
99.04426	3.8
99.08108	3.8
103.03941	2.8
103.05469	5.9
105.07035	46.0
107.04959	100.0
107.08593	30.2
108.05293	20.5
109.02895	4.8
109.06527	9.4
109.10143	19.7
111.04460	5.1
111.08095	6.0
115.05449	6.4
117.07014	27.5
119.08595	28.7
121.06503	18.1
121.10128	14.4
123.04443	5.5
123.08061	7.0
123.11694	11.3
125.05953	5.1
125.09644	7.7
127.03908	2.5
127.07569	7.0
128.06218	10.6
129.05508	3.4
129.07016	30.3
130.07782	3.1
131.04945	7.7
131.08571	37.2
133.06514	9.1
133.10161	16.8
135.08089	7.6
135.11702	9.0
137.05986	12.5
137.09624	6.4
139.07559	12.6
141.06998	16.7
142.07796	8.2
143.08562	25.1
144.09239	2.7
145.06488	15.4
145.10127	28.4
147.08072	7.3
147.11685	11.7
149.06015	3.4
149.09625	4.9
149.13316	3.6
151.07564	4.9
151.11115	2.4
153.05411	2.3
153.06976	6.7
153.09132	3.0
154.07744	4.4
155.08549	21.6
156.09361	3.3
157.06496	8.2
157.10120	26.8
159.08095	11.3
159.11703	16.5
161.09676	7.1
161.13278	4.4
163.07578	3.2
163.11192	7.1
165.07002	4.2
165.09161	6.4
165.12816	2.6
166.07758	3.1
167.07295	2.9
167.08572	12.9
169.06451	4.6
169.10155	20.3
171.08041	11.3
171.11668	17.5
173.09657	11.0
173.13290	9.6
175.07574	4.6
175.11212	7.6
177.09154	2.2
177.12723	3.0
179.08568	4.7
179.10716	2.4
180.09340	3.4
181.06544	2.4
181.10164	9.9
183.08081	6.5
183.11662	13.3
185.09689	9.7
185.13220	12.3
187.07594	2.7
187.11195	7.4
187.14835	4.0
189.11226	4.1
189.12753	3.7
191.10666	5.1
192.09492	2.3
193.10226	4.2
193.12242	5.9
195.08089	4.0
195.11673	13.3
197.09674	5.9
197.13292	9.0
199.07585	2.2
199.11253	5.0
199.14862	4.4
201.09087	3.6
201.12770	3.3
207.11720	5.7
207.13808	2.6
209.09619	3.2
209.13336	6.1
211.11240	6.9
211.14844	6.6
213.09161	2.9
213.12743	7.0
215.10750	3.5
215.14377	5.6
223.14964	3.9
225.12820	6.6
227.10594	3.0
227.12604	3.3
229.12460	2.4
231.13844	3.5
233.11562	3.2
233.15352	3.2
237.12772	4.7
239.14330	4.9
241.19667	2.9
257.15863	2.2
257.19131	3.8
265.09738	3.4
267.66266	2.6
269.18997	3.7
271.20789	2.5
283.20590	2.6
295.20490	4.5
299.20078	2.8
301.21829	2.3
303.23196	2.5
307.20645	3.1
311.20184	3.7
313.21802	6.8
321.08798	2.6
321.22247	2.1
325.21674	8.4
331.20499	3.6
337.21899	3.1
339.23102	9.8
343.22687	4.6
349.21539	20.2
355.22940	3.9
357.24313	3.9
367.22699	30.5
373.23706	5.8
385.23648	28.9
387.25360	6.3
399.25122	4.3
403.24756	8.4
413.27179	2.7
417.13510	6.5
417.26382	9.2
423.25256	5.1
429.26456	8.6
431.27954	3.0
441.26450	36.3
441.33588	6.5
459.27444	47.1
459.34021	4.8
460.28116	3.4
477.16522	8.6
477.28555	73.2
477.35321	3.7
478.28665	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61213	1.7
53.03950	5.7
53.71477	1.8
55.01878	8.2
55.05510	37.5
55.05762	3.6
57.03440	7.4
58.05292	1.6
65.03931	3.4
67.00854	1.6
67.05509	35.9
69.03428	9.5
69.07062	15.5
70.06593	2.4
70.76365	3.1
70.76704	3.8
71.05008	5.4
71.08657	2.2
76.32191	1.8
76.46141	1.6
76.82080	1.6
79.05495	40.3
81.03423	31.4
81.03868	2.8
81.07057	43.3
82.65005	1.5
83.05010	8.5
83.08631	17.1
85.02917	11.5
85.06572	4.9
85.29164	1.6
90.14867	1.6
91.05479	27.7
93.07052	29.7
95.04975	18.5
95.08615	24.9
97.02890	4.3
97.06552	8.0
97.10171	22.5
99.08109	2.7
103.05469	2.4
105.04546	2.4
105.07037	21.3
107.04963	100.0
107.08606	21.5
108.05293	26.3
109.02895	5.5
109.06539	7.7
109.10159	14.6
110.44195	1.9
111.04456	4.3
111.08098	7.6
113.06002	2.3
115.05489	1.9
117.07039	10.4
119.05007	2.3
119.08577	16.4
121.06514	21.0
121.10156	10.8
123.04439	2.9
123.08092	8.2
123.11722	4.9
125.06054	3.4
125.09632	19.3
127.03922	5.1
128.06247	3.9
128.83112	1.9
129.06996	10.1
131.04947	4.3
131.08571	13.3
133.06538	7.2
133.10136	10.6
135.08093	8.5
135.11705	6.2
137.05992	4.6
137.09637	2.6
141.07022	3.1
143.08604	7.1
145.04927	2.7
145.06512	10.6
145.10136	12.2
147.04454	3.0
147.08119	5.4
147.11705	8.7
149.06018	2.3
149.09650	5.7
149.13324	5.3
151.07538	2.5
153.09142	4.6
153.12769	2.3
155.08578	2.3
157.06534	1.9
157.10164	6.9
159.08078	4.0
159.11714	3.6
161.06055	2.4
161.09636	4.3
163.11232	6.7
165.09134	7.7
169.10150	4.0
171.08104	3.8
171.10298	2.4
171.11740	5.0
173.09642	4.1
173.13237	3.2
175.11221	4.7
175.14819	2.3
177.12759	1.8
185.09587	3.0
185.13364	3.3
187.11203	2.9
189.11256	12.7
189.12767	3.5
191.14377	2.2
193.12256	12.0
195.11908	2.3
195.13908	1.9
197.13264	2.4
198.11052	2.1
199.11336	2.2
203.10715	3.1
205.12291	2.0
209.11624	2.4
209.13487	2.1
211.13225	2.4
213.12814	3.5
215.14401	4.2
217.12424	3.9
227.12796	7.6
233.15303	8.3
237.12782	2.2
241.14331	1.9
255.13805	3.5
267.15961	6.5
273.14972	8.3
339.23221	3.2
349.21829	8.1
357.24234	5.8
367.22699	19.7
385.23743	34.7
386.23914	2.4
394.51160	2.0
403.24619	14.2
433.25714	3.4
441.26456	2.7
459.27438	42.8
459.33823	3.5
477.13925	3.4
477.28409	38.9
477.34695	3.7
478.28656	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	477.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
57.07071	2.3
63.74197	1.4
66.33093	1.4
66.91871	1.5
67.05486	6.2
67.55071	1.3
69.07067	3.9
69.23251	3.0
69.23662	9.9
73.85052	1.6
79.05509	2.9
81.07047	6.8
83.08619	2.4
91.05461	2.7
93.07035	2.2
95.08584	5.4
97.10178	1.7
105.07035	3.2
107.04951	2.7
107.08556	3.3
109.10157	4.6
117.06969	1.7
119.08583	4.1
120.34871	1.4
121.10117	1.9
128.06210	1.3
131.08563	1.4
133.10088	2.9
145.97704	1.6
149.13173	1.8
157.10170	1.7
159.11690	1.9
167.08626	1.8
195.08069	2.6
197.06039	4.1
223.07588	3.0
445.29306	30.2
459.28497	1.7
459.34558	2.1
477.31866	100.0
478.32755	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	477.3189
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
55.05507	1.9
59.59385	0.7
67.05503	4.9
69.07063	1.9
71.08617	1.0
71.48819	1.4
76.75812	1.0
79.05477	2.3
81.03411	1.3
81.07069	4.3
83.08627	1.4
85.06586	0.7
87.24570	0.9
91.05459	1.4
91.40388	0.8
93.07010	1.8
95.08608	4.8
105.07072	1.6
107.08575	1.5
109.10140	2.3
119.08538	1.3
121.10126	1.3
127.88477	0.7
131.08563	1.2
132.19734	0.8
133.10101	1.7
143.08640	0.8
149.13313	1.2
201.09062	2.4
203.87846	0.9
213.71310	0.8
250.09311	0.8
255.93819	0.8
314.72397	0.8
374.99802	1.0
445.29288	19.1
447.30768	1.1
459.28580	1.1
459.34610	1.3
477.31848	100.0
478.32013	4.5
490.49976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
55.05511	10.7
57.07080	28.5
67.05509	9.7
69.03416	1.3
69.07071	19.9
69.51916	1.6
69.52325	5.7
71.04996	1.5
71.08634	24.0
79.05495	4.7
81.07060	19.2
83.08619	12.8
85.02902	1.2
85.10191	11.3
91.05463	2.8
93.07040	8.1
95.04962	2.5
95.08610	21.8
97.02875	1.1
97.06529	4.1
97.10177	9.3
98.20794	1.8
99.04433	3.3
99.08117	1.8
100.45072	0.9
105.07033	8.4
107.08591	9.4
109.06516	11.6
109.10159	9.4
111.08092	2.0
111.11726	5.3
117.06990	1.2
119.08595	6.2
121.06490	2.5
121.10169	5.0
123.08078	10.0
123.11710	4.5
125.05994	13.6
125.09557	1.5
125.13248	2.4
127.07558	34.4
131.08566	2.9
133.10126	4.8
135.08035	2.6
135.11684	3.9
137.05949	3.8
137.09624	2.5
137.13249	0.9
139.07545	100.0
140.07829	1.0
143.08516	1.1
145.10104	2.9
147.08049	1.1
147.11673	3.7
149.05992	4.5
149.09610	2.9
149.13257	2.3
151.07547	6.5
151.11148	1.5
151.14856	1.1
153.09084	2.1
159.11723	2.6
161.09608	1.3
161.13257	2.8
163.07544	3.0
163.11176	1.2
163.14771	1.2
165.09103	3.2
167.07028	5.7
171.11659	2.5
173.13280	2.5
175.14847	2.4
177.09140	13.7
177.16463	1.0
187.14751	1.5
189.12755	1.1
189.16353	1.3
191.14417	0.9
191.18079	1.2
193.12125	1.0
208.25653	0.9
213.16301	1.2
233.15327	1.6
275.86475	1.0
301.28918	4.1
319.29962	11.0
327.30258	0.9
347.33063	12.7
373.30856	5.0
389.37512	1.0
399.36517	1.7
403.35754	2.4
412.65204	0.9
417.37411	12.5
426.71515	0.9
427.35565	2.5
445.36823	25.8
459.38950	1.4
477.33652	1.9
477.39453	49.3
478.39670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22281	2.4
54.42213	2.0
55.05514	17.9
57.07076	6.1
65.03922	2.2
67.05506	34.2
69.07075	23.8
69.10852	1.7
69.58817	7.8
69.59228	3.4
71.04999	20.1
71.08640	2.5
78.18854	2.0
79.05482	22.7
81.07059	88.9
83.04970	2.0
83.08633	14.0
85.06546	4.7
91.05487	22.7
93.07050	74.7
95.04966	8.1
95.08612	100.0
96.08901	1.7
97.06529	2.2
97.10184	11.9
105.04512	2.2
105.07034	49.0
105.27146	2.1
107.08599	69.3
109.06527	6.3
109.10159	59.5
111.08092	12.8
111.11743	3.9
113.09662	5.3
117.06994	5.8
119.08588	53.4
121.10153	52.8
123.11713	31.7
128.06268	2.3
129.07014	3.5
131.08548	22.7
133.10135	38.7
135.11697	34.8
137.09656	5.7
137.13258	8.7
143.08571	5.9
144.09294	2.9
145.10136	28.5
147.11702	35.0
149.13264	37.1
151.11182	2.2
151.14693	1.9
157.10149	13.1
158.10855	2.4
159.11703	37.8
161.13254	30.8
163.14853	22.4
169.10193	7.3
171.11644	13.8
173.13272	30.2
175.14845	20.8
177.12767	3.0
177.16374	14.3
183.11713	5.2
185.13203	9.1
187.14835	21.0
189.16353	18.8
191.17950	5.7
197.13354	5.1
199.14877	7.0
201.16393	14.4
203.17966	18.1
211.14847	3.7
213.16403	9.7
215.17935	10.4
217.19514	21.3
225.16359	4.9
227.18059	10.5
229.19511	11.7
231.21129	7.3
241.19559	6.1
243.21199	5.9
255.21107	6.4
257.22754	7.3
259.24216	10.5
267.21082	3.3
269.22565	3.7
271.20709	2.0
271.24283	2.8
283.24173	4.7
285.25821	7.0
295.24283	4.3
297.25568	4.9
299.23584	2.4
299.27405	2.6
309.25812	3.4
323.27515	3.1
325.28830	3.5
327.30548	3.7
335.27472	2.6
353.28384	2.8
367.29919	4.3
381.31393	4.8
383.84384	2.6
393.35306	3.4
395.33063	2.2
419.37003	4.8
459.40094	11.3
477.34296	5.0
477.41000	97.9
478.41388	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	477.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06818	3.5
55.05511	26.5
67.05506	37.0
69.07060	20.6
71.05000	19.6
71.08620	3.7
71.09697	8.2
79.05505	26.6
81.07062	100.0
83.08630	14.0
91.05499	27.6
93.07047	79.2
95.08612	94.7
97.10160	12.6
104.07809	3.6
105.07038	62.2
107.08593	69.1
109.06521	9.2
109.10151	56.6
111.08076	12.9
113.09655	6.0
117.07030	5.1
119.08590	59.1
121.10135	61.6
123.11703	26.9
129.47235	4.0
131.08583	17.5
133.10132	40.4
135.11717	43.9
137.09642	4.6
137.13268	11.5
142.98927	4.1
143.08568	11.5
145.10146	36.4
147.11719	38.0
149.13274	40.3
157.10153	9.9
159.11687	34.8
161.13272	35.8
163.14813	24.4
171.11699	13.0
173.13297	29.6
175.14821	14.7
177.16411	10.6
185.13310	10.7
187.14848	21.1
189.16426	17.7
199.14824	10.9
201.16402	15.4
203.17938	17.3
211.14888	6.2
213.16415	8.8
215.17917	14.2
217.19542	19.5
225.16365	3.8
227.17955	5.1
229.19649	9.1
231.21089	7.8
241.19431	6.5
243.21048	8.0
253.19345	5.0
254.35344	4.2
255.21149	5.5
257.22601	11.0
259.24243	8.0
327.30341	5.1
337.28726	5.2
358.22998	4.8
393.35223	4.8
407.33536	5.3
419.36801	5.9
459.40005	9.7
477.40909	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
53.03944	0.6
56.05939	0.1
69.49525	0.4
69.49947	0.5
77.03933	0.3
79.05499	1.6
79.78008	0.1
81.03416	0.3
85.02893	0.3
87.00821	0.2
91.05487	0.5
95.04987	0.4
97.02887	0.2
99.04468	0.2
100.29105	0.1
105.04514	0.3
106.06559	100.0
107.04960	10.7
107.05713	0.2
107.06892	1.0
108.08081	0.1
118.06540	1.9
120.41000	0.1
122.08324	0.1
124.07566	0.4
148.07597	0.2
209.68289	0.2
212.10707	2.1
212.12556	0.2
235.13286	0.2
294.18002	0.1
354.11978	0.3
372.12891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01855	0.3
56.05031	0.3
69.03418	0.7
70.06601	4.5
71.48445	0.5
72.08138	0.9
79.05487	1.1
81.03434	0.4
84.04504	0.7
84.08136	1.1
85.02888	0.6
86.09719	1.5
91.05479	0.6
95.04964	1.1
97.02950	0.3
98.06973	0.3
103.05481	0.3
105.04536	0.7
107.04959	100.0
108.05296	1.4
109.02869	0.3
110.07143	0.4
116.07085	0.9
117.03300	0.3
118.06593	0.4
118.48643	0.3
120.08103	1.2
127.08726	0.4
129.10216	0.5
130.06566	0.4
131.34203	0.3
136.07556	0.4
137.06088	0.4
139.72200	0.3
143.83910	0.3
146.06013	4.9
153.01837	1.2
164.07066	9.3
171.07864	0.3
192.06619	1.9
201.05333	0.3
210.05620	0.5
210.07619	10.7
226.08784	0.5
228.04112	0.4
229.04947	0.7
244.09731	1.3
263.14011	0.9
266.08957	0.3
274.04660	0.4
285.03989	0.8
302.04230	2.1
316.11774	2.3
317.06580	14.5
478.17511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43493	0.5
53.03953	3.0
55.01854	0.9
55.05503	2.4
63.66941	0.5
67.05502	3.7
69.03423	0.9
69.07064	1.8
70.06577	1.1
71.18179	1.4
79.05487	4.6
80.05770	0.6
81.03427	1.4
81.07066	3.2
83.04979	1.0
83.08615	1.5
84.08150	0.7
85.06532	1.0
91.05482	2.2
93.07056	3.3
94.07364	0.8
95.04971	2.6
95.08601	1.9
97.06522	1.1
97.10146	0.9
99.04436	1.3
105.04504	0.8
105.07025	6.5
107.04957	100.0
107.08590	3.0
108.05309	2.2
109.06531	1.0
109.10145	0.9
117.07015	1.6
119.08610	1.3
119.78106	0.6
121.06481	3.8
125.05993	1.3
125.09638	1.1
129.07028	1.4
131.04932	1.0
131.08553	1.6
133.06508	2.6
133.10121	1.1
135.08044	0.9
135.11632	0.9
136.95866	0.6
137.06007	1.1
137.09607	0.6
139.07553	1.0
143.08574	1.3
145.06500	1.8
145.10135	5.5
147.08080	1.0
147.11639	0.9
155.08565	0.8
157.06482	0.8
158.07272	1.2
159.08073	2.5
159.11656	3.1
161.09625	0.6
165.09024	1.3
166.09447	1.5
169.10091	0.9
171.08054	1.1
172.08881	0.7
173.09622	9.9
178.26337	0.6
185.09576	1.1
187.11143	4.2
191.10699	1.1
197.09579	2.0
205.08575	0.8
205.12241	4.9
209.59499	0.6
211.07593	0.6
211.11273	0.6
215.10667	9.1
233.11722	9.6
239.10678	0.8
251.12837	1.7
293.15225	0.8
311.16309	0.9
312.43237	0.6
317.06577	1.0
321.14932	1.2
337.12842	3.3
339.15909	1.2
355.13947	0.8
368.23105	0.7
386.23868	0.9
404.24750	0.9
442.34515	0.7
460.28012	0.8
460.34952	0.7
464.63226	0.6
478.28452	1.9
479.14987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01873	1.4
55.05508	2.5
67.05503	3.5
69.07066	1.7
69.80441	3.5
71.04984	1.6
79.05506	5.0
81.03413	1.9
81.07046	3.7
82.07401	0.8
83.04979	8.1
83.08620	0.9
87.36665	0.6
91.05476	3.4
93.03380	0.7
93.07023	4.1
95.04972	3.6
95.08606	2.3
96.08960	0.8
97.06538	1.4
98.21426	0.9
99.04449	2.8
105.04510	0.9
105.07034	6.8
107.04961	100.0
107.08604	3.8
108.05284	2.9
109.06518	11.5
109.10167	1.2
111.04433	1.8
115.05438	1.0
117.07000	4.0
119.08581	2.3
121.06511	2.5
122.03673	0.8
123.08086	1.1
125.05994	1.4
130.07750	1.0
131.04968	0.8
131.08554	3.1
133.10202	0.9
135.08055	6.4
135.11761	0.9
137.05981	6.1
139.07605	0.8
143.08539	2.1
145.06458	1.4
145.10139	16.2
147.07994	0.9
151.07576	1.5
153.05521	1.1
155.08644	1.7
159.08090	1.3
159.11728	2.7
161.09660	2.1
163.11217	1.8
169.10106	1.4
173.09618	10.2
177.09113	0.7
187.11174	7.0
191.10655	10.6
205.12288	5.3
215.10629	5.4
233.11728	23.9
236.37143	0.7
239.07108	1.7
251.12793	33.8
302.36029	0.9
317.06720	1.6
337.12952	0.8
355.13998	3.9
373.66498	0.8
418.13821	1.7
442.26791	1.1
451.15472	1.2
460.27847	1.0
478.28748	1.9
479.14789	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	478.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56496	1.4
53.03947	3.1
55.01857	1.6
55.05518	7.4
56.05853	1.9
57.07059	1.6
58.40100	1.2
67.05508	6.9
68.05809	2.1
69.03429	2.8
69.07091	2.8
70.08457	6.2
71.04999	2.3
77.03946	1.5
79.05501	9.4
81.03418	4.7
81.07061	10.9
82.07398	1.4
83.04964	2.3
83.08618	4.0
86.09685	2.1
91.05485	9.1
93.07051	6.6
95.04973	3.9
95.08606	4.9
97.06520	3.2
97.10172	3.4
99.04444	2.0
103.05474	1.9
105.04533	2.4
105.07024	11.6
107.04963	100.0
107.08593	5.4
108.05293	2.7
109.06519	1.8
109.10152	2.1
111.08064	1.6
114.00089	1.2
115.05460	1.6
117.07032	5.7
119.04922	1.7
119.08574	4.0
120.08127	2.6
121.06499	5.6
121.10146	2.8
123.08087	1.8
123.11698	1.9
124.09355	1.3
125.05996	2.4
125.09689	1.6
127.07575	1.3
129.06987	3.1
131.04900	2.1
131.08565	4.6
133.06528	3.1
133.10127	3.3
139.07542	3.4
139.13235	1.2
143.07069	2.1
143.08440	1.6
145.06508	4.0
145.10133	9.8
146.06834	1.3
147.04369	3.7
147.11679	1.9
147.69899	1.5
149.13438	1.5
152.11375	1.4
159.08018	2.2
159.11703	4.6
161.05948	1.4
161.13284	1.4
165.07031	2.0
165.09094	1.7
169.10074	2.6
173.09657	10.9
179.08444	1.6
185.09622	3.6
187.11221	5.4
196.05209	9.4
197.09558	3.8
205.12299	7.5
211.07603	9.3
213.09067	1.5
215.10707	12.8
223.03920	2.9
225.05421	2.7
233.11757	9.2
239.07059	9.4
240.07782	5.6
293.15280	2.0
311.16556	3.7
321.14703	3.0
337.12845	2.3
339.15903	2.3
368.23254	2.1
386.24078	3.9
403.09354	3.7
404.10052	1.5
407.12289	2.4
418.11823	2.0
435.12091	1.7
442.26965	1.8
442.33746	1.8
450.14212	3.4
460.27744	3.9
460.34674	2.0
478.13950	38.2
478.28461	7.5
479.14713	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	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05518	10.0
57.03448	5.9
57.07074	1.3
67.05511	24.1
69.06730	1.6
69.07072	15.6
69.46996	6.3
79.05496	7.1
81.07060	21.4
82.92298	0.8
83.04958	2.0
83.08607	7.3
91.05476	4.8
93.07050	5.8
95.08610	18.3
97.06541	1.5
97.10146	4.1
105.07038	2.2
107.08596	3.6
109.10163	6.5
111.08060	1.3
119.08586	2.8
121.10136	2.0
123.11699	3.1
133.10132	2.3
137.13234	0.8
147.11699	1.6
161.13261	1.3
203.23123	0.8
263.23770	1.5
306.27957	3.2
337.27390	100.0
338.27652	3.2
360.22983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.7
57.03426	4.4
57.07080	2.6
62.06093	29.2
67.05509	31.2
69.07072	14.4
69.46461	5.5
69.46879	9.3
79.05508	3.6
81.07070	33.9
83.08623	6.3
91.05473	5.1
93.07031	8.4
95.08621	20.0
97.10115	3.1
98.06057	3.7
98.98446	8.4
105.07022	6.7
107.08607	4.8
109.10153	6.5
121.10136	5.6
123.11697	3.3
155.01041	5.0
160.59766	2.1
173.02104	3.7
189.88229	2.0
245.22519	2.6
248.20918	2.3
263.23752	6.8
296.52795	2.5
306.27917	36.2
336.50946	2.3
337.27365	100.0
397.15799	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03432	0.8
61.02924	1.3
67.25574	0.6
69.03420	2.8
69.59885	3.8
69.60300	1.1
78.04137	0.6
81.03409	1.8
85.02914	9.4
87.38885	0.6
92.02620	1.0
93.03409	0.7
97.02898	3.7
98.21534	0.8
121.02859	1.1
127.03940	1.3
139.03902	1.0
142.97984	0.7
145.04959	2.3
153.01842	7.7
201.05428	1.0
228.04150	1.2
229.04922	3.5
245.04518	0.9
246.05214	1.8
257.04483	1.8
273.03989	1.7
274.04712	2.3
285.03949	4.6
302.04211	10.8
317.06577	100.0
318.07001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
65.03951	0.2
68.99787	0.2
69.03409	0.2
69.72750	0.7
69.89606	0.1
70.06595	0.2
76.72916	0.1
81.03392	0.1
85.02901	0.2
86.09689	0.1
92.02634	1.0
93.03397	1.0
107.04964	0.5
109.02868	0.2
111.00809	0.3
120.08102	0.2
121.02868	1.2
126.03135	0.6
137.02382	0.2
138.09116	0.4
139.03896	0.9
147.76196	0.1
151.03902	0.8
152.01044	0.2
153.01830	8.1
163.03978	0.2
165.01857	0.8
166.02577	0.2
166.73705	0.1
177.05505	0.3
183.02873	0.2
183.04398	0.2
190.02652	0.1
200.04701	0.4
201.05495	0.9
203.03455	0.6
217.04942	1.1
218.05789	0.5
219.02928	0.2
228.04169	1.6
229.04962	3.5
231.02911	0.4
241.51294	0.1
243.06686	0.2
245.04401	1.5
246.05261	1.9
256.03616	0.2
257.04456	2.8
258.05472	0.2
260.03137	0.4
261.07571	0.3
271.06055	0.3
273.03918	1.6
274.04733	4.6
284.03079	0.7
285.03943	5.1
287.01907	0.2
288.06250	0.2
289.15396	0.2
301.03665	0.2
302.04227	12.8
317.06564	100.0
318.06940	1.7
386.55215	0.1
452.19183	0.2
479.11710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.63264	0.3
52.09361	0.3
55.25336	0.3
57.03438	0.3
68.99760	0.3
69.03416	1.0
69.80589	1.4
70.06581	1.2
72.08147	1.3
81.03404	0.5
84.04475	0.5
84.08162	0.4
85.02904	3.3
86.09711	2.1
92.02618	1.0
93.03409	1.0
97.02874	0.8
97.06461	0.3
98.21473	0.3
99.04477	0.6
106.96809	0.3
107.04938	0.8
109.02864	0.4
120.08112	1.1
121.02855	1.3
126.03173	0.4
127.03928	0.9
129.10190	0.3
137.02304	0.4
137.06001	0.4
139.03897	1.2
145.04976	0.6
151.03906	1.0
153.01828	8.4
165.01868	0.7
165.07071	0.4
171.07864	0.3
172.05107	0.7
172.08676	0.8
185.12860	0.4
187.07426	2.2
188.08208	0.4
196.05196	1.1
199.07391	1.9
200.12900	0.4
201.05499	0.9
203.03438	0.5
205.05112	0.3
211.07550	1.1
216.07893	0.6
216.10086	1.1
217.04967	1.1
218.05727	0.9
228.04172	2.2
229.04994	4.0
231.02921	0.4
239.07068	1.7
243.06348	0.5
243.08771	6.2
244.09566	23.0
245.04523	1.4
245.10352	0.6
246.05240	2.4
257.04462	2.3
257.10190	0.4
258.05127	0.3
260.03198	0.4
273.03931	2.1
274.04749	4.4
277.11765	0.4
284.03189	0.7
285.03937	5.4
287.01794	0.4
288.06189	0.5
301.03482	0.4
302.04221	14.4
317.06564	100.0
318.06754	1.4
321.64413	0.3
362.13516	0.8
378.15405	2.4
379.16113	9.4
461.16113	0.4
479.17667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1496
Annotation	(-)-Blestriarene C
Peak:m/z	Relative Intensity
55.01856	1.0
55.05510	2.2
57.03434	0.8
67.05499	3.1
69.03416	0.9
69.07066	3.3
71.47967	0.9
78.96156	0.8
79.05484	3.0
81.03419	2.0
81.07063	5.0
83.04984	1.8
83.08627	1.5
84.08163	1.0
85.02907	2.0
91.05499	3.7
92.67668	0.8
93.07036	4.1
95.04975	2.1
95.08607	3.0
97.10187	1.0
105.07037	3.0
107.04971	3.4
107.08602	3.2
109.10165	1.8
111.08070	1.0
117.07013	1.0
119.08575	1.2
121.06452	1.2
121.10132	1.5
123.11722	1.2
131.04933	1.8
131.08530	1.1
133.10170	1.6
135.11684	1.0
137.05954	1.3
139.07526	1.4
143.08557	1.2
147.11705	0.9
149.09671	1.0
149.13321	1.4
149.59943	0.8
151.07664	0.7
153.07033	0.9
159.08015	1.2
159.11736	1.2
160.74582	0.7
165.09134	0.9
165.12703	1.1
171.04399	1.0
187.07529	0.9
193.12265	1.8
196.05222	1.4
198.06772	0.8
199.07565	1.0
211.07578	1.7
211.13246	1.4
224.04697	1.0
239.07100	2.3
241.08675	1.0
246.04955	0.8
291.19604	1.1
302.04138	1.6
303.11472	0.9
317.06564	7.2
319.10999	1.1
320.12140	0.9
331.11215	1.6
341.86996	0.8
343.39975	0.9
347.10779	2.3
348.11713	1.4
349.12289	2.3
359.10812	1.7
360.11411	1.3
363.09973	1.0
364.10965	1.0
365.11777	3.5
375.10257	4.2
376.10840	5.8
377.11978	5.0
378.12384	0.8
387.10229	3.4
388.10800	2.2
389.11703	2.4
390.08475	0.9
391.13565	1.4
392.14313	5.0
393.11325	3.7
403.09424	4.8
404.10437	7.8
405.11261	8.3
407.12787	1.4
408.13669	4.5
415.09839	1.9
416.10437	1.6
418.12018	1.0
419.12961	12.2
420.08841	1.0
420.13657	3.3
421.10645	4.8
431.09406	1.1
432.09924	2.8
433.10522	6.2
435.11963	6.1
436.13132	16.4
443.35098	0.9
447.12518	10.1
448.13150	15.0
451.15503	20.6
461.13757	0.9
461.36203	2.0
464.12521	5.5
479.14951	100.0
479.29776	2.7
480.15259	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	479.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34606	0.8
53.03940	2.6
67.05502	1.1
69.03416	1.3
70.06582	0.9
71.48368	1.4
77.03907	0.7
77.80705	0.8
79.05492	3.6
81.07036	1.1
85.02907	1.6
86.09720	1.7
90.83729	0.9
91.05465	2.8
93.07107	1.0
95.04976	3.4
97.02908	1.5
103.05477	24.3
105.04509	1.4
105.07061	1.2
106.06557	3.7
107.04961	94.8
107.06900	2.6
109.02853	1.0
109.06470	1.3
115.05484	1.2
117.07034	0.9
120.08128	1.1
121.06511	2.1
122.03650	1.9
123.04402	1.9
131.04938	29.2
133.06467	2.5
135.08099	1.6
137.05983	27.9
144.05687	1.0
149.05988	3.6
153.01883	1.8
161.05904	2.0
163.07556	45.1
164.08350	9.6
173.05975	1.4
177.05516	3.6
193.05026	2.2
201.05490	5.9
207.06465	5.7
219.06508	1.1
231.13454	4.8
233.08131	3.4
244.64009	0.9
253.08813	1.1
289.05261	1.2
292.07538	1.0
302.04309	1.9
317.06598	20.8
318.06985	1.2
325.10791	1.4
339.12262	1.0
355.11984	1.1
393.18829	11.7
435.19934	35.6
479.18921	100.0
480.19025	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95674	0.7
53.03946	1.2
55.01860	2.5
55.05498	2.8
65.03931	2.4
69.03427	1.3
69.07088	0.9
69.31174	1.9
69.31583	4.5
70.06583	1.6
70.70422	0.7
79.05480	2.3
81.03403	1.3
81.07066	0.8
82.06576	0.9
83.04990	1.0
83.06114	0.7
84.04496	1.7
85.02905	1.7
86.09682	0.8
91.05484	2.2
92.05003	4.6
93.07034	5.1
94.06560	3.1
95.04971	2.6
95.07345	2.7
95.08609	1.6
96.08131	9.2
97.02882	0.8
97.06506	0.9
100.07594	0.7
100.11252	3.7
103.05472	0.9
105.07033	1.5
106.06570	1.3
107.04960	31.8
108.04457	1.2
108.05300	0.7
108.08126	10.5
108.90151	0.7
109.08865	0.9
109.10147	1.0
110.09685	18.8
119.08554	0.8
120.04473	12.2
120.08106	12.4
121.02866	8.1
121.06434	1.0
126.09137	0.9
127.03963	1.0
136.06662	1.1
136.07590	12.7
137.05981	4.9
138.05522	5.3
138.09138	21.5
147.04446	1.1
148.03873	0.8
148.07579	7.4
153.01857	1.4
154.08640	17.7
154.12227	2.2
156.96373	0.7
160.03899	0.7
163.07463	0.7
166.08650	46.1
177.05490	1.0
178.05037	1.7
182.15407	2.4
188.03433	69.1
200.03386	3.1
205.04921	1.8
206.04485	17.4
208.05917	0.8
210.09100	0.9
210.14906	0.9
212.09296	0.8
218.04434	2.1
220.06039	1.0
226.08672	0.8
227.11720	3.3
228.15985	0.8
239.06868	0.8
245.08658	0.7
245.12984	1.0
255.11371	5.7
257.04517	0.7
260.12836	2.1
266.08179	2.6
273.12271	5.0
281.18576	1.7
285.04019	1.2
294.07660	5.9
295.10754	2.1
302.04120	1.5
309.21713	1.0
317.06586	15.7
317.10757	1.2
318.06714	1.2
323.10208	5.4
326.10303	5.0
341.11334	100.0
342.11661	2.3
385.13983	0.9
401.14749	1.0
429.14389	1.3
479.19022	1.3
479.36020	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.1
53.29997	2.8
55.01876	18.2
55.05511	41.6
55.10074	2.3
55.28468	2.6
57.03440	44.1
57.07076	5.0
61.02930	5.8
65.03935	8.6
67.05508	97.9
68.99790	3.6
69.03430	72.3
69.07066	28.3
69.25464	25.7
71.01345	7.6
71.05000	14.7
73.02905	8.7
79.05497	72.4
81.03419	46.4
81.06602	6.0
81.07060	100.0
83.04980	18.4
83.08606	10.5
85.02901	40.5
85.06517	5.6
87.04447	10.2
91.05486	79.5
93.07047	88.4
93.07643	4.7
93.34920	3.0
95.04960	22.3
95.08609	69.5
97.02901	27.0
97.06505	5.9
97.10159	5.8
99.04472	19.6
101.02425	4.5
101.06029	3.7
103.03931	8.8
103.05450	5.4
105.07034	68.2
107.04936	11.9
107.08603	48.8
109.02879	27.6
109.06511	12.8
109.10157	27.3
111.04426	11.2
111.08100	4.6
115.03938	3.4
115.05456	5.3
117.07023	40.1
119.04939	3.9
119.08586	54.1
121.06525	13.9
121.10158	34.4
123.04424	5.6
123.08074	8.9
123.11704	8.2
125.09643	4.0
127.03925	35.0
128.06227	7.8
129.05470	10.5
129.06992	29.8
131.04869	3.4
131.08571	47.2
133.06490	9.9
133.10136	31.8
135.08057	9.6
135.11687	22.4
135.51294	2.6
141.06982	9.9
142.07788	3.8
143.08575	19.7
145.04947	11.7
145.06473	5.5
145.10115	41.5
147.08069	11.7
147.11707	20.2
148.05197	2.5
149.05934	2.8
149.09575	5.5
149.13274	14.5
153.06932	4.0
155.08557	17.1
157.06549	5.6
157.10089	15.8
159.08055	8.3
159.11693	28.6
161.05972	6.3
161.09595	6.7
161.13304	12.5
163.11259	3.7
169.10114	14.6
171.08043	6.2
171.11667	11.4
173.09564	6.2
173.13254	18.1
175.07567	3.9
175.11201	7.3
175.14786	8.2
181.10106	6.7
183.06509	15.0
183.08003	4.7
183.11682	8.4
185.09680	3.0
185.13239	10.2
187.11163	6.5
187.14798	9.6
189.12814	3.2
195.11752	5.0
197.13298	7.9
199.11172	5.2
199.14771	7.1
201.07513	5.5
201.12717	6.9
201.16403	4.3
209.13258	5.2
211.11295	3.7
211.14868	4.3
213.12779	4.1
213.16275	5.9
215.14297	4.9
225.12614	3.3
233.15527	4.4
241.19383	2.9
259.20346	6.9
261.22205	8.2
271.16840	2.9
273.22171	4.8
285.22073	6.0
289.21658	3.9
299.23563	3.6
301.21512	3.5
303.23206	6.0
315.23337	6.7
317.06589	7.0
317.24707	3.0
327.23199	8.8
335.25598	4.0
339.22916	3.1
341.24704	7.9
345.24133	6.6
351.23151	7.9
359.25650	3.9
363.25491	4.6
369.24313	26.0
387.25314	19.7
389.26767	4.4
401.27042	3.7
405.03833	3.0
405.26163	7.0
412.33337	3.0
419.27402	3.4
431.28180	3.4
443.27917	25.4
461.28973	55.4
479.15103	6.4
479.29953	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.9
55.01872	17.3
55.05515	38.0
57.03439	37.9
65.03943	8.4
67.05506	100.0
68.96778	4.0
69.03429	72.7
69.07064	26.4
71.01357	8.0
71.04975	13.2
71.48686	6.0
73.02927	12.1
79.05080	5.5
79.05499	76.2
81.03420	59.7
81.07058	93.9
82.07381	4.3
83.04990	14.4
83.08615	17.8
85.02893	32.1
87.04440	5.6
91.05492	58.9
93.07047	79.8
95.04979	17.5
95.08614	71.6
95.09199	7.5
97.02892	24.9
97.06547	10.5
97.10185	7.0
99.04463	16.9
99.08107	5.0
103.03959	9.6
105.07036	64.9
107.04972	6.6
107.08601	49.5
109.02888	34.5
109.06526	11.3
109.10146	25.3
110.61982	3.7
111.04436	7.1
115.03957	9.4
117.07015	32.7
119.08587	47.0
121.06503	9.0
121.10153	35.5
123.04436	5.0
123.08066	8.0
123.11718	10.2
127.03901	39.9
128.06216	7.7
129.05486	9.6
129.07025	28.4
131.08566	42.3
133.06519	12.1
133.10158	33.1
135.08063	8.5
135.11719	20.8
137.09602	7.1
141.06981	4.9
142.07790	5.8
143.08551	25.2
145.04945	17.3
145.06511	8.6
145.10118	34.4
147.08052	9.3
147.11707	27.3
149.05916	4.5
149.09636	8.1
149.13254	12.6
155.08543	8.9
157.10135	15.6
159.08086	7.1
159.11696	22.9
161.09596	7.8
161.13277	17.8
163.11205	8.9
163.14830	5.4
167.08548	5.3
169.10162	8.8
171.04353	4.1
171.08058	5.8
171.11710	13.8
171.39185	4.4
173.09636	9.5
173.13309	19.7
175.07506	5.0
175.11230	6.8
175.14844	7.4
177.12733	5.5
183.06567	9.0
183.11696	8.3
185.09676	4.4
185.13277	10.5
187.11166	6.1
187.14828	10.3
189.12807	4.5
195.11719	4.9
199.11185	5.1
199.14789	6.6
201.07585	4.7
201.16458	4.1
209.13329	6.7
213.12454	4.9
213.16484	7.5
224.08359	6.6
225.16040	4.4
255.06609	13.6
261.22110	13.5
273.22250	6.9
285.22134	6.1
289.21606	6.5
301.21503	5.4
303.22980	6.2
306.27960	8.5
307.28238	48.2
313.21255	4.6
315.23242	10.3
317.06555	8.9
327.23264	6.0
335.25537	4.3
338.27679	27.7
341.24673	11.8
345.24310	10.7
351.23193	15.0
359.25763	7.0
369.24179	25.4
369.74423	4.3
387.25171	22.5
443.27817	21.2
449.28973	9.1
461.28995	50.2
479.14594	6.4
479.30051	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72601	0.7
53.03932	1.7
55.01851	3.0
55.05517	10.1
57.03424	2.3
57.07045	0.8
65.03938	1.4
67.05184	1.1
67.05508	14.2
69.03425	1.4
69.07069	7.1
71.04988	1.8
71.48438	1.4
74.16002	0.7
79.05086	0.8
79.05499	11.3
81.03401	2.2
81.07063	16.6
83.04972	6.2
83.08623	5.3
85.02883	1.9
85.06542	2.0
91.05482	16.8
93.07051	11.4
95.04950	2.8
95.08063	1.0
95.08613	12.1
97.06503	2.6
97.10153	2.3
103.05449	1.5
105.04513	0.9
105.07032	13.4
107.04966	7.5
107.08604	8.1
108.05291	1.0
109.06551	4.1
109.10153	4.9
110.72633	0.8
111.08073	2.3
115.05427	1.8
117.07027	10.0
119.08585	7.2
121.02855	0.8
121.06520	4.5
121.10159	4.3
123.08031	1.7
123.11694	1.7
125.06003	1.7
125.09621	1.7
127.07549	1.0
128.06166	2.1
129.07011	10.0
131.04944	2.1
131.08568	12.4
133.06511	1.7
133.10144	5.1
135.08052	1.6
135.11696	2.1
137.05978	1.6
137.09607	1.5
139.07538	3.5
139.11139	1.4
141.06981	7.0
142.07753	1.4
143.08572	7.4
145.06458	2.2
145.10138	5.8
146.10507	1.5
147.08044	2.6
147.11670	2.7
149.09599	2.0
149.13263	1.0
151.11160	0.8
153.05644	1.2
153.06969	5.6
153.09088	1.2
155.08545	8.1
157.06491	1.5
157.10173	4.5
159.08051	2.0
159.11763	4.1
161.09615	1.7
161.13255	1.3
163.07500	1.0
163.11197	1.2
165.07016	9.4
165.09117	1.4
167.08524	3.0
168.05714	2.7
169.06488	3.1
169.08731	0.8
169.10124	2.9
171.04424	1.6
171.11710	3.1
173.09671	1.6
173.13168	1.0
175.11130	1.4
177.12750	1.3
179.08551	1.6
180.09244	0.7
181.06448	2.5
181.08687	1.4
181.10092	3.4
183.08017	4.5
183.11656	2.4
185.13254	2.7
187.07474	0.9
187.11125	1.5
189.12846	1.1
191.14442	0.9
193.06502	2.5
193.10194	0.9
193.26175	0.7
195.11714	2.7
196.05205	67.9
197.05882	7.3
197.13277	1.2
199.14920	1.0
203.14389	0.9
205.12308	1.4
207.11731	1.2
209.13229	1.7
210.06711	1.6
211.07549	74.2
212.07898	2.5
213.12698	1.0
215.10620	0.9
216.11081	0.9
219.13786	1.0
221.13246	2.6
221.15193	0.8
223.03835	0.9
223.14873	2.3
224.04514	1.3
225.05458	14.5
225.16467	1.0
227.07124	1.0
233.15373	1.0
235.14751	1.5
239.07039	100.0
240.07808	26.6
241.08392	3.2
241.15984	0.9
247.17113	0.8
253.15909	1.4
254.13893	0.7
257.15265	1.0
271.16919	1.7
287.99619	0.7
291.66000	0.8
317.06485	6.2
323.23682	2.4
333.22354	3.6
341.24765	1.5
347.10681	1.8
348.11331	1.4
351.23160	8.3
359.10626	1.2
360.11221	0.9
365.11353	1.4
369.24371	7.2
375.10040	1.9
376.10910	2.7
377.11530	1.8
387.10062	2.8
387.25244	6.4
388.11008	1.8
391.13715	1.5
392.14111	1.7
393.11209	2.5
403.09427	2.4
404.10150	2.9
405.11209	1.7
407.12744	0.8
408.13541	1.7
415.09775	2.0
416.10672	1.0
418.12097	2.0
419.12900	6.8
420.13412	1.8
421.10873	1.3
430.12146	0.9
431.09198	0.9
432.09760	1.3
433.10757	2.3
435.12280	2.3
435.34271	1.1
436.13089	6.8
443.27975	2.8
443.35104	3.3
446.11304	1.2
447.12271	5.4
448.13110	8.4
451.15451	7.4
461.13626	1.8
461.28986	6.1
461.36246	8.4
464.12595	2.0
479.14825	65.0
480.15707	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72601	0.7
53.03932	1.7
55.01851	3.0
55.05517	10.1
57.03424	2.3
57.07045	0.8
65.03938	1.4
67.05184	1.1
67.05508	14.2
69.03425	1.4
69.07069	7.1
71.04988	1.8
71.48438	1.4
74.16002	0.7
79.05086	0.8
79.05499	11.3
81.03401	2.2
81.07063	16.6
83.04972	6.2
83.08623	5.3
85.02883	1.9
85.06542	2.0
91.05482	16.8
93.07051	11.4
95.04950	2.8
95.08063	1.0
95.08613	12.1
97.06503	2.6
97.10153	2.3
103.05449	1.5
105.04513	0.9
105.07032	13.4
107.04966	7.5
107.08604	8.1
108.05291	1.0
109.06551	4.1
109.10153	4.9
110.72633	0.8
111.08073	2.3
115.05427	1.8
117.07027	10.0
119.08585	7.2
121.02855	0.8
121.06520	4.5
121.10159	4.3
123.08031	1.7
123.11694	1.7
125.06003	1.7
125.09621	1.7
127.07549	1.0
128.06166	2.1
129.07011	10.0
131.04944	2.1
131.08568	12.4
133.06511	1.7
133.10144	5.1
135.08052	1.6
135.11696	2.1
137.05978	1.6
137.09607	1.5
139.07538	3.5
139.11139	1.4
141.06981	7.0
142.07753	1.4
143.08572	7.4
145.06458	2.2
145.10138	5.8
146.10507	1.5
147.08044	2.6
147.11670	2.7
149.09599	2.0
149.13263	1.0
151.11160	0.8
153.05644	1.2
153.06969	5.6
153.09088	1.2
155.08545	8.1
157.06491	1.5
157.10173	4.5
159.08051	2.0
159.11763	4.1
161.09615	1.7
161.13255	1.3
163.07500	1.0
163.11197	1.2
165.07016	9.4
165.09117	1.4
167.08524	3.0
168.05714	2.7
169.06488	3.1
169.08731	0.8
169.10124	2.9
171.04424	1.6
171.11710	3.1
173.09671	1.6
173.13168	1.0
175.11130	1.4
177.12750	1.3
179.08551	1.6
180.09244	0.7
181.06448	2.5
181.08687	1.4
181.10092	3.4
183.08017	4.5
183.11656	2.4
185.13254	2.7
187.07474	0.9
187.11125	1.5
189.12846	1.1
191.14442	0.9
193.06502	2.5
193.10194	0.9
193.26175	0.7
195.11714	2.7
196.05205	67.9
197.05882	7.3
197.13277	1.2
199.14920	1.0
203.14389	0.9
205.12308	1.4
207.11731	1.2
209.13229	1.7
210.06711	1.6
211.07549	74.2
212.07898	2.5
213.12698	1.0
215.10620	0.9
216.11081	0.9
219.13786	1.0
221.13246	2.6
221.15193	0.8
223.03835	0.9
223.14873	2.3
224.04514	1.3
225.05458	14.5
225.16467	1.0
227.07124	1.0
233.15373	1.0
235.14751	1.5
239.07039	100.0
240.07808	26.6
241.08392	3.2
241.15984	0.9
247.17113	0.8
253.15909	1.4
254.13893	0.7
257.15265	1.0
271.16919	1.7
287.99619	0.7
291.66000	0.8
317.06485	6.2
323.23682	2.4
333.22354	3.6
341.24765	1.5
347.10681	1.8
348.11331	1.4
351.23160	8.3
359.10626	1.2
360.11221	0.9
365.11353	1.4
369.24371	7.2
375.10040	1.9
376.10910	2.7
377.11530	1.8
387.10062	2.8
387.25244	6.4
388.11008	1.8
391.13715	1.5
392.14111	1.7
393.11209	2.5
403.09427	2.4
404.10150	2.9
405.11209	1.7
407.12744	0.8
408.13541	1.7
415.09775	2.0
416.10672	1.0
418.12097	2.0
419.12900	6.8
420.13412	1.8
421.10873	1.3
430.12146	0.9
431.09198	0.9
432.09760	1.3
433.10757	2.3
435.12280	2.3
435.34271	1.1
436.13089	6.8
443.27975	2.8
443.35104	3.3
446.11304	1.2
447.12271	5.4
448.13110	8.4
451.15451	7.4
461.13626	1.8
461.28986	6.1
461.36246	8.4
464.12595	2.0
479.14825	65.0
480.15707	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14677	1.0
52.09920	0.9
53.03938	1.4
55.01855	3.0
55.05515	11.6
57.07080	5.4
65.03931	2.2
67.05508	12.9
68.99792	1.5
69.06728	1.5
69.07067	19.2
70.12943	4.2
71.08614	3.5
79.05494	7.4
79.79298	0.9
81.07056	24.9
83.08621	10.3
85.06528	1.5
91.05482	7.9
93.07042	11.7
95.04959	3.0
95.08602	22.0
97.02857	2.2
97.06512	3.5
97.10165	6.9
98.20766	1.3
99.04465	2.4
99.08083	1.3
105.07034	5.2
107.04967	11.1
107.08597	8.0
109.02885	1.0
109.06528	8.4
109.10160	7.1
111.08104	1.6
111.11718	2.2
117.07024	1.7
119.08599	5.0
121.06509	62.9
121.10110	4.9
123.08060	5.9
123.11684	4.4
125.06013	9.3
127.07555	39.7
129.07004	1.6
131.08553	2.3
133.10135	3.1
135.08043	3.6
135.11652	2.3
137.05937	2.7
137.09613	3.1
137.13206	1.1
139.07541	46.7
141.06931	1.8
143.08562	1.7
145.10104	1.9
147.04370	1.5
147.11630	2.7
149.05980	1.9
149.09639	2.5
149.13263	2.5
151.07553	7.5
153.06969	3.6
155.08571	2.1
157.05257	1.3
157.06374	5.0
157.10117	1.7
159.11699	3.0
161.05937	1.1
161.09627	1.4
161.13258	1.7
163.07512	1.9
165.06979	3.7
165.09132	2.9
168.05734	3.3
169.06442	4.1
171.04396	25.9
171.05714	2.6
173.13318	1.1
175.11113	1.0
175.14786	2.1
177.09117	7.7
181.06464	10.3
184.05096	1.1
189.12727	1.2
189.79791	1.0
191.10617	1.4
191.14345	1.7
193.12257	1.4
195.04457	2.0
197.05931	5.6
197.09567	1.3
199.07535	3.5
203.14432	1.1
209.05933	2.8
209.73285	1.1
210.06752	1.5
212.04733	5.8
213.09131	1.8
221.15298	1.3
223.13220	1.5
225.09103	4.5
227.07040	64.1
228.07280	2.5
239.07002	1.7
249.14885	1.4
255.06534	100.0
256.06842	2.9
299.27353	4.7
317.06500	8.2
317.28375	4.4
345.31476	2.8
359.10614	1.1
371.29440	2.2
405.30307	1.4
410.90732	1.1
415.35617	6.8
419.13010	1.6
425.33923	1.3
433.36371	1.2
443.35217	22.7
447.12067	2.6
448.13043	2.0
451.15268	1.8
461.13736	1.6
461.30316	1.3
461.36261	31.4
462.36856	1.7
479.14624	8.5
479.25531	1.7
479.37195	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	479.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.6
57.07077	82.7
67.05486	12.7
69.07070	23.2
69.90571	13.8
69.90974	10.6
70.54656	4.6
71.04982	16.0
71.08625	88.0
77.37685	4.6
77.88461	4.7
79.05476	8.8
79.68839	4.2
80.49922	4.5
81.07045	22.8
83.08611	13.0
85.10183	50.2
87.53129	5.3
89.06036	50.8
93.07043	14.2
95.08604	17.0
95.23967	4.9
97.10139	6.5
98.20806	5.4
105.07030	8.0
107.08592	15.0
109.10150	12.8
111.11731	5.3
119.08566	8.2
121.10127	9.6
123.11691	7.8
125.05967	61.1
131.08594	8.8
133.10138	8.4
135.08081	6.8
135.11720	7.0
137.05911	5.9
139.07556	8.7
141.05420	7.2
145.10091	6.5
147.11699	5.9
149.09601	6.8
149.13216	4.5
151.07513	33.9
153.05458	100.0
153.09196	4.7
159.11638	5.1
161.13365	7.2
163.07538	14.2
165.09073	27.8
175.14911	5.9
177.09128	20.5
177.16310	4.5
179.06656	5.1
179.10686	13.5
183.06548	21.5
191.10614	14.6
219.13922	7.0
233.15405	5.4
251.16360	6.4
265.17926	12.8
267.84143	5.9
279.19604	9.4
293.21252	7.1
302.04367	6.0
347.29440	6.4
369.88641	5.4
380.29468	5.4
401.34042	5.2
419.35278	48.0
420.34686	6.8
465.38541	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
55.05510	29.7
57.07078	82.5
67.05505	23.4
68.68993	2.6
69.07068	44.6
69.43990	5.9
69.44398	15.6
71.04985	3.2
71.08631	74.1
71.61884	2.8
73.46000	2.5
79.05499	19.7
81.07054	59.5
83.04980	9.5
83.08614	41.7
85.06543	3.5
85.10180	49.5
89.06004	4.8
91.05476	8.6
93.07036	40.8
95.08605	42.0
97.06533	9.4
97.10168	20.7
99.08064	10.8
99.11739	7.8
101.06011	33.0
105.07032	9.3
107.08591	34.6
109.06521	18.3
109.10160	22.5
110.95615	2.7
111.04399	3.9
111.08083	7.6
111.11709	10.6
113.09644	2.7
113.13291	3.6
115.07600	4.4
119.08578	3.9
121.06528	3.5
121.10174	22.3
123.11694	10.9
125.05986	7.7
125.09572	4.1
125.13245	4.8
127.07558	100.0
129.05484	91.3
131.08517	3.5
133.08534	3.6
133.10196	3.7
135.11696	20.6
137.06001	3.4
137.13193	3.5
139.07561	9.5
141.16342	3.1
143.07024	10.5
149.09669	4.5
149.13240	24.0
150.06570	2.9
151.07536	3.0
153.12680	3.5
155.18011	2.9
157.08638	5.6
159.11684	4.7
161.76212	2.8
163.14832	19.6
164.68199	2.6
165.16464	2.9
167.14301	4.4
171.10184	3.4
173.13275	2.7
177.16379	8.8
181.15903	8.0
183.06517	4.2
185.11850	3.1
191.17966	7.1
195.13734	3.1
195.17482	7.9
201.16318	3.5
205.19502	3.2
209.15517	3.8
213.14818	4.2
219.21011	5.4
223.20547	5.6
227.16429	3.3
233.22638	4.7
237.22238	3.2
289.28824	11.2
307.29929	15.6
317.28461	3.1
327.08264	2.7
417.37146	4.4
431.48416	3.0
433.37027	3.8
479.36414	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
55.05510	29.6
57.07077	100.0
57.67522	2.4
67.05499	16.0
69.03426	3.8
69.07072	50.1
69.24369	7.5
69.24786	16.0
71.05003	4.1
71.08631	84.6
79.05488	20.7
81.07061	51.6
83.04999	17.3
83.08618	29.2
85.06499	4.3
85.10184	49.7
87.04458	4.0
91.05485	5.5
93.07035	38.0
95.08605	42.7
97.06525	9.6
97.07186	2.4
97.10178	20.5
99.04436	3.1
99.08091	7.3
99.11735	8.3
101.06017	44.1
105.07034	4.9
107.08598	39.7
109.06513	13.2
109.10162	22.7
111.04408	2.7
111.08082	15.5
111.11728	14.8
113.09634	2.9
113.13291	3.9
115.07554	7.3
115.10075	2.3
119.08562	3.1
121.06515	2.4
121.10141	26.4
123.11687	11.9
125.05984	7.9
125.09634	5.6
125.13254	8.1
127.07554	87.1
129.04509	5.4
129.05478	96.8
131.08554	3.1
133.10069	2.6
134.91037	2.3
135.07996	4.8
135.11662	22.3
136.07571	4.8
137.13261	7.2
139.07542	10.7
139.11166	3.9
141.16306	2.4
143.07036	10.1
145.10014	2.5
149.13274	20.5
151.14790	4.0
153.09050	4.7
153.12746	4.9
155.07047	7.2
157.08578	6.2
163.11237	2.5
163.14816	16.3
165.16388	3.3
167.14325	6.9
177.16405	7.8
181.15904	5.6
191.14186	3.1
191.17947	7.0
195.13840	3.3
195.17421	5.4
199.13310	3.8
205.19566	5.6
209.15367	3.8
209.19061	5.3
213.14839	5.4
219.21104	4.9
222.14949	5.1
223.15154	6.9
223.20436	4.1
227.16362	3.1
233.22696	5.1
237.22148	4.4
251.23741	5.2
255.19629	3.1
289.28766	12.7
306.43100	2.9
307.29935	14.5
419.35083	2.9
433.36667	3.0
461.38263	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	480.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68886	0.3
53.03936	1.2
55.01861	0.3
57.53016	0.2
67.05497	0.3
69.03423	0.6
70.10783	0.5
79.05513	1.3
81.03413	0.7
81.07037	0.4
85.02892	1.0
86.09715	0.4
91.05479	0.6
93.07058	0.4
93.61068	0.3
95.04955	0.9
95.08662	0.6
97.02880	0.5
98.21525	0.3
100.07626	0.3
101.08003	0.3
105.04518	0.5
105.07042	0.8
105.41748	0.3
107.04957	100.0
108.05265	0.7
109.02867	0.3
109.10108	0.2
120.08085	0.4
121.06493	0.3
127.03931	0.3
128.01663	0.3
131.04926	0.5
137.05997	0.5
145.10146	1.0
159.09122	0.2
159.11646	0.4
177.05515	0.9
197.15331	0.3
207.06474	0.3
215.10834	0.4
216.12360	0.4
254.24721	0.3
256.10956	0.4
277.39279	0.3
300.16364	0.2
317.06396	0.5
318.07108	0.8
318.26407	1.2
319.10031	0.5
480.17432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
56.05028	0.5
57.05810	1.0
57.77803	0.3
60.04528	4.1
69.07065	0.6
70.06595	1.5
70.20469	0.7
70.20851	0.8
72.08158	100.0
73.08493	0.6
83.06107	2.5
84.04527	0.4
84.08162	0.8
86.06061	0.6
86.09704	4.1
86.10104	0.3
87.05608	0.8
91.05486	0.5
98.02390	0.8
98.21471	0.4
103.05502	0.6
107.04989	1.2
113.07156	1.6
113.10782	0.4
114.09183	1.3
118.22985	0.3
120.08113	19.4
124.07655	0.7
129.10260	1.3
131.08171	4.5
133.06117	0.6
136.07594	0.8
141.06607	3.9
141.10283	0.4
143.08163	0.4
149.06044	0.5
153.10318	0.5
157.09731	4.0
157.10805	0.4
159.07674	5.5
159.11304	6.5
166.08649	13.6
177.10213	3.2
187.10739	2.3
195.11349	0.8
198.08841	0.5
205.09741	0.7
207.11374	1.2
209.09169	0.3
212.14009	1.4
212.29976	0.4
213.12379	0.4
216.09909	0.6
217.46529	0.4
223.10776	9.8
223.12912	0.6
227.17709	0.4
228.13419	0.4
230.15068	0.4
235.10930	1.0
240.13429	17.3
242.11484	0.7
244.12955	1.0
246.14622	0.9
252.13687	0.6
258.14572	2.1
259.15067	0.4
269.16040	0.4
270.14685	0.8
272.12582	1.1
277.15491	0.7
287.17163	1.2
297.15643	1.9
308.92258	0.4
315.16632	4.5
318.07126	0.7
321.80212	0.3
322.17624	7.8
332.16025	0.5
409.21011	0.8
433.28238	0.4
462.23434	0.5
480.24634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03941	0.6
55.05514	13.2
57.03440	8.5
57.06833	0.6
57.07081	6.7
59.31792	0.5
61.77367	0.4
62.06083	0.7
67.05506	11.1
69.07072	18.9
69.25687	2.2
69.26113	2.2
71.04984	0.8
71.08637	3.4
74.45992	0.5
75.79507	0.5
79.05504	4.6
79.28558	0.5
81.07058	12.1
83.04989	0.7
83.08163	0.9
83.08624	13.6
85.06491	0.5
85.10185	1.4
91.05500	1.0
92.81838	0.4
93.07051	6.2
95.08612	10.9
97.06539	2.7
97.10170	8.0
107.08607	4.2
109.10144	5.0
111.08085	1.3
111.11726	1.9
121.10148	6.7
123.11708	1.3
125.09624	0.6
125.38633	0.5
135.11700	3.8
139.11185	0.7
149.13266	2.0
153.12836	0.6
163.14803	0.6
216.06302	0.7
216.88535	0.5
220.87949	0.7
247.24303	0.7
265.25317	1.6
301.62347	0.4
308.29391	3.6
339.28943	100.0
340.29236	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	481.1648
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
51.99875	0.3
55.01848	0.7
59.38546	0.3
67.05471	0.5
69.55400	2.2
72.58540	0.3
79.05460	0.5
81.07021	0.8
85.02869	0.8
91.05479	0.5
95.08559	0.7
103.82361	0.4
105.07018	0.3
107.04926	0.4
109.10137	0.5
111.00793	0.3
114.21697	0.3
118.00471	0.3
119.08540	0.5
121.11598	0.3
129.06960	0.4
133.10098	0.3
141.07018	0.5
142.07741	0.4
147.64821	0.4
152.06198	1.6
153.06976	4.7
154.07750	0.4
155.08546	1.4
157.06465	0.6
159.11725	0.4
165.07030	2.6
167.08583	0.7
168.05679	1.0
169.06464	1.2
170.07230	1.6
171.04297	0.4
171.08008	0.9
179.04948	0.5
180.05670	1.2
181.06480	5.7
182.07265	3.4
183.08127	1.6
185.05963	1.0
185.09557	1.6
187.07489	0.6
193.06473	1.4
195.08032	1.1
196.05206	6.7
197.05972	2.3
198.06755	5.4
199.07558	1.8
207.04410	2.5
209.06105	0.5
210.06718	0.7
211.07553	5.7
213.09105	10.6
221.05894	1.6
224.04695	0.5
224.08472	0.5
225.05417	1.6
225.09047	0.7
226.06253	1.0
227.06996	5.6
237.09007	0.4
239.07040	8.8
240.07855	2.8
241.08591	100.0
242.09349	15.9
242.11871	0.7
253.08623	0.4
269.08212	1.0
332.11783	0.4
343.11115	0.7
346.10413	0.3
359.10611	0.5
360.11539	0.9
361.12164	0.5
363.10135	0.6
371.10721	1.1
377.11725	0.5
378.12582	0.7
387.09952	0.8
388.10934	1.1
389.11743	1.1
391.09348	0.5
393.15106	0.8
395.12802	1.1
399.10062	0.4
400.10907	0.7
403.13428	2.9
404.13919	1.0
405.11133	0.6
406.12012	1.0
413.11816	0.5
417.11221	1.0
418.11966	0.4
419.12915	0.7
420.13455	1.5
421.14355	3.0
423.12186	0.5
431.12814	3.6
432.13602	0.7
433.10785	0.8
434.11691	0.5
435.16220	0.5
448.13196	3.7
449.13800	5.1
450.14731	0.8
453.17099	0.5
463.15463	2.4
466.14182	3.5
481.16495	42.9
482.16891	1.8
506.12109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.68266	0.8
58.73055	0.8
62.42140	0.7
67.05495	0.8
69.72747	2.3
69.73180	2.8
85.02903	1.8
91.05453	0.8
95.08557	1.0
98.21455	1.3
107.04967	0.9
115.05446	1.2
141.06999	9.6
145.06502	2.6
152.06230	1.1
153.06999	3.6
155.08577	3.4
157.06534	1.3
165.07025	11.7
168.05704	2.6
169.06505	18.3
171.04381	2.3
171.07970	0.9
171.11969	0.8
173.05972	1.5
181.06569	2.5
182.07288	1.1
183.08063	12.9
185.09528	1.0
187.07535	0.9
193.06401	1.0
195.07986	1.2
196.05251	2.3
197.05986	27.2
197.07736	1.7
197.09546	1.2
198.06737	1.9
201.09146	4.3
211.05533	1.7
211.07553	20.3
213.09128	2.4
214.06252	2.1
215.06967	1.4
225.05522	14.1
225.09026	5.0
227.07092	1.8
229.08604	20.3
239.07062	2.9
241.08525	1.7
255.06541	1.0
257.08102	100.0
258.08517	1.6
385.99112	0.8
481.16281	1.2
496.97046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24759	0.4
55.01848	0.6
55.05487	0.7
67.05473	1.1
69.03419	0.8
69.07032	0.6
69.97240	1.0
69.97651	1.7
79.05476	1.4
81.03384	0.5
81.07026	1.5
85.02892	0.7
91.05460	1.5
95.08599	0.6
105.07065	2.5
107.04926	1.6
109.10113	0.7
119.04916	0.9
121.06457	0.5
128.06287	0.6
129.06961	0.6
133.06496	0.7
137.05974	0.6
141.06973	0.8
143.08539	0.7
145.06465	0.7
145.10104	1.0
147.04489	0.5
152.06154	0.8
153.06987	4.6
155.08525	1.1
157.06491	1.1
157.10136	0.7
159.11661	0.6
163.11276	0.5
165.06992	1.8
167.06879	0.5
167.08521	0.5
168.05757	0.8
169.06482	1.7
170.07249	3.0
171.04298	0.6
171.08009	0.9
171.84293	0.5
173.09647	0.8
180.05745	0.5
181.06476	12.1
181.29704	0.5
182.07266	4.6
183.08009	2.0
184.05186	0.6
185.05856	0.6
185.09630	1.6
187.11259	0.7
195.08054	1.7
196.05208	10.8
197.05931	4.3
198.06763	14.7
199.07596	4.5
209.05952	1.0
210.06519	0.9
211.07541	12.7
213.09137	5.3
215.10660	0.8
218.05638	0.5
223.03912	0.6
224.04631	0.6
225.05473	3.3
226.05922	1.9
227.07045	2.9
239.07039	8.8
240.07822	3.8
241.08600	100.0
242.09329	11.2
256.41800	0.5
389.11765	0.9
405.11279	0.6
406.11801	0.8
406.37646	0.5
417.11008	0.9
421.14084	1.4
432.13708	0.6
449.13904	1.5
450.14453	0.9
463.15701	0.8
481.16116	20.7
482.16873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1644
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
55.01844	0.5
67.05485	0.3
69.03410	0.5
69.76665	1.3
79.05467	0.7
81.07041	0.7
83.04963	0.4
85.02898	0.6
91.05469	0.8
93.07005	0.7
95.04953	0.3
95.08577	0.7
103.05424	0.7
105.07027	1.5
107.04941	0.8
107.08569	0.7
109.10182	0.3
109.58724	0.3
117.07000	0.3
119.04918	0.6
119.08535	0.3
121.06469	0.4
121.10114	0.4
121.72244	0.3
127.03949	0.5
129.06990	0.5
131.04903	1.0
131.08615	0.4
133.06453	0.4
133.10106	0.4
141.06964	0.4
143.08501	0.6
145.06491	0.4
145.10126	1.4
147.04462	1.5
147.30153	0.3
152.06190	0.9
153.06999	3.4
155.08519	1.0
157.06473	1.2
157.10199	0.4
159.11676	0.8
165.07042	1.5
167.08574	0.7
168.05724	0.7
169.06528	1.4
170.07140	1.3
171.08032	0.9
173.09540	0.5
181.06485	10.3
182.07253	4.2
183.08080	2.0
185.05931	0.6
185.09586	0.8
187.07515	0.3
187.11255	0.6
193.06537	0.4
195.08012	1.3
196.05199	8.6
197.05980	4.0
198.06761	11.8
199.07559	3.2
205.12187	0.5
209.06007	0.7
210.06497	1.5
211.07529	10.3
212.08014	0.8
213.09108	4.6
215.10585	0.6
221.05923	0.5
223.03868	0.4
224.04315	0.4
225.05518	3.1
226.05988	3.0
227.06938	2.6
239.07039	8.7
240.07794	5.6
241.08591	100.0
242.09293	12.0
243.09808	0.5
253.08813	0.3
257.08029	0.4
257.61624	0.3
299.63202	0.3
357.03101	0.3
361.12054	0.4
363.10217	0.4
377.11331	0.7
378.12329	0.8
385.12106	0.3
388.10614	0.5
389.11609	1.1
394.11102	0.4
394.42740	0.4
396.13034	0.3
405.10812	0.5
406.11597	1.0
417.11047	0.8
420.13138	0.5
421.14069	1.2
432.13416	0.7
434.11435	0.5
438.14053	0.5
448.12820	1.0
449.13898	1.8
450.14426	0.6
453.10077	0.4
453.16324	0.7
463.15417	0.7
463.36591	0.4
466.13803	0.6
481.16156	27.2
482.16864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
57.26247	0.2
66.60844	0.2
67.08931	0.3
69.03442	0.5
71.48649	0.3
77.03920	0.5
79.05502	1.5
80.40610	0.2
81.03427	0.6
84.08194	0.3
85.02912	0.8
86.09676	0.3
89.24471	0.2
91.05466	0.4
95.04960	1.2
97.02881	0.4
105.04523	0.6
105.07047	0.4
107.04962	100.0
108.05301	0.9
117.07018	0.3
123.04430	0.7
129.03117	1.2
129.38045	0.3
137.06006	1.0
145.10143	0.4
159.11800	0.4
185.04205	3.8
187.11263	0.4
195.06279	0.6
213.07353	44.1
214.07729	0.4
233.72134	0.3
255.31976	0.3
293.73056	0.3
309.09509	0.8
317.06683	0.6
319.07141	0.3
343.08121	0.3
345.06427	0.5
375.12653	6.1
419.17096	0.6
463.15799	0.5
481.16830	27.7
482.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3157
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
53.03944	13.1
55.01869	11.3
55.05514	39.8
57.03203	3.4
57.03442	43.3
57.07064	13.6
57.26391	3.3
58.07421	3.0
59.04995	3.1
63.05017	2.9
65.03934	4.9
67.05506	89.1
69.03091	4.9
69.03432	59.5
69.07071	40.6
71.01330	4.6
71.04989	7.6
71.08638	5.4
71.49298	4.8
73.02927	16.6
75.04478	7.5
75.25422	2.6
78.04660	2.6
79.05493	46.7
79.85912	3.2
81.03425	59.0
81.06599	6.2
81.07062	100.0
83.04974	19.5
83.08620	26.2
85.02918	29.9
85.06523	5.7
85.39233	3.1
86.23188	2.9
87.04460	5.5
91.04988	3.4
91.05494	37.5
93.07047	58.1
95.04958	9.6
95.08614	73.7
97.02905	22.2
97.06509	9.3
97.10175	13.5
99.04482	14.4
99.08088	6.1
101.02364	6.2
103.03965	7.6
105.07041	37.5
107.04926	9.5
107.08597	32.0
109.02877	27.8
109.06512	7.6
109.10162	30.7
111.04408	8.7
111.08086	5.3
111.11738	3.3
113.09592	4.2
115.03950	4.4
117.07043	15.5
119.08600	27.9
121.06497	10.8
121.10162	21.2
123.04414	9.0
123.08070	5.8
123.11700	11.1
127.03914	31.6
128.06186	3.5
129.05487	9.3
129.07010	8.1
131.08575	24.5
133.06494	7.4
133.10159	21.2
135.08060	6.3
135.11702	18.4
137.05930	3.5
137.13258	5.2
139.11183	3.9
143.08606	7.5
143.61200	3.0
145.04936	7.6
145.06476	6.7
145.10135	18.0
147.08022	10.8
147.11705	15.2
149.05986	4.2
149.09628	5.0
149.13254	11.1
151.11185	4.9
151.14754	3.5
155.08565	5.5
157.06567	3.9
157.10179	7.9
159.08063	4.6
159.11697	10.2
161.13263	8.2
163.11139	3.8
163.14796	9.1
171.11650	4.4
173.09631	3.4
173.13229	6.3
175.14760	8.2
177.12723	4.6
183.06543	7.7
183.11710	3.5
185.09624	3.3
185.13199	6.7
187.14821	7.0
189.12756	4.1
189.16362	4.7
199.14847	6.2
201.07515	6.8
201.16295	3.9
203.17899	3.1
205.15926	3.5
207.13708	4.6
217.15971	3.8
231.13777	3.7
245.22636	4.3
261.22137	6.0
263.23743	10.3
301.21631	3.3
303.23123	6.6
305.24615	4.8
309.29922	5.5
329.24844	4.3
337.27328	4.5
339.29041	4.8
340.29297	34.0
343.26181	9.7
347.25644	7.7
353.24619	6.9
371.25885	23.3
389.26788	18.6
427.28168	4.4
439.20880	3.8
445.29416	15.8
451.30698	18.3
463.30450	52.3
481.16522	8.7
481.31509	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01867	4.7
55.05506	6.2
56.96565	23.9
57.03422	8.6
60.04529	2.2
61.02919	7.5
63.94775	2.0
69.03095	2.5
69.03437	33.7
70.03769	2.9
70.06584	8.7
71.04984	3.4
73.02913	7.4
73.06551	3.1
76.90850	2.1
81.03429	13.8
83.01318	1.8
84.04507	4.9
84.08138	8.8
84.96038	4.2
85.02907	71.4
86.03226	1.9
86.09692	2.5
86.39283	2.0
87.04460	6.5
91.03962	3.3
91.05495	2.4
97.02890	27.7
98.97585	100.0
99.04478	4.0
101.00864	2.6
103.05471	2.4
107.04956	69.4
108.05285	5.2
109.02892	9.1
110.07140	4.9
110.97569	17.7
112.07585	3.8
112.99170	4.5
116.98622	28.2
119.01855	6.9
119.04897	3.1
120.08128	4.3
123.04420	6.8
124.99155	3.2
127.03247	1.9
127.03944	19.7
128.98651	12.0
129.02283	3.3
129.10210	4.8
131.00175	3.6
133.06061	1.9
134.99666	5.3
136.06136	4.2
136.07593	9.9
137.05974	7.0
140.98627	2.2
143.00179	5.3
143.01855	3.0
144.02055	2.1
144.98132	3.1
145.01794	4.2
145.04979	12.9
146.04146	4.1
146.99658	4.3
147.03310	4.7
147.04427	6.6
149.01112	3.0
153.35773	2.1
155.04652	28.9
156.03421	2.0
158.06679	8.6
158.99663	41.3
161.01216	4.4
161.02934	4.0
163.02718	3.2
164.05186	4.4
165.04214	2.1
170.99626	8.5
171.03279	4.0
173.01230	2.2
173.02811	3.7
176.07658	3.3
177.00716	23.6
177.04163	3.0
178.04956	3.3
182.03465	2.8
182.99664	3.2
185.03015	2.5
186.04338	2.8
188.05276	2.8
188.07756	3.9
189.00693	6.3
189.04341	7.3
191.03864	4.8
194.03413	2.9
201.00673	10.6
202.08739	2.1
207.05344	2.0
212.07693	3.4
213.00772	2.0
214.95313	4.9
219.01793	31.9
220.02362	2.1
221.05151	3.6
222.05003	1.9
223.04591	3.1
224.07738	5.5
227.06749	28.8
227.56917	4.0
231.05389	5.5
232.96452	4.0
235.04698	2.3
236.07310	43.7
236.57402	4.3
237.02820	28.6
261.02872	8.2
266.05380	3.5
267.02002	2.3
273.08282	3.1
275.06073	4.9
279.03983	4.4
287.05536	13.8
291.07471	13.0
293.05133	3.7
294.10995	3.7
302.08685	4.1
308.09708	4.0
309.08588	44.1
314.10904	4.6
317.09891	6.8
320.06335	4.7
320.09793	6.0
321.05026	2.6
321.08609	2.2
324.67899	2.2
345.04611	3.5
351.09616	7.7
353.07242	3.5
354.07062	7.1
361.02084	2.9
366.05646	5.6
377.00671	3.7
379.09128	3.8
387.05917	3.0
391.03156	3.9
401.08640	2.8
447.07965	2.7
465.08719	5.7
482.14371	10.5
482.24765	5.1
483.09439	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	482.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.01880	0.4
67.05503	0.3
67.50124	0.2
69.03433	0.5
69.07037	0.3
70.06590	0.6
70.99561	0.5
77.03954	0.4
79.05499	1.1
81.03423	0.7
81.07059	0.5
85.02896	0.5
86.06071	76.5
87.06367	0.3
91.05489	0.5
92.93545	0.2
93.07028	0.5
95.04967	0.9
95.08584	0.5
97.02864	0.4
99.04474	0.3
103.05495	0.2
105.04542	0.6
105.07018	1.1
106.07372	0.5
107.04960	100.0
108.05269	1.0
109.02888	0.5
115.05367	0.2
117.07014	0.3
121.06516	0.3
127.03893	0.4
129.05489	0.3
131.08565	0.3
133.06570	0.2
133.10127	0.4
137.05991	1.0
138.06371	0.3
145.10165	0.8
146.10535	0.5
157.06503	0.2
159.07936	0.2
159.11687	0.4
160.11967	0.2
173.09659	0.3
174.09972	0.4
179.52028	0.2
181.06371	0.3
187.11209	0.4
188.11525	0.4
206.12625	0.4
213.09113	0.6
215.10634	0.4
216.11000	0.5
220.56999	0.2
233.11676	0.3
234.12172	0.5
241.08488	1.4
242.09248	0.3
354.15323	0.5
482.16995	2.3
483.17865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05023	1.3
57.03425	0.6
57.06844	0.3
57.07083	3.4
58.06602	1.5
60.08166	16.1
66.53057	0.3
67.05497	0.7
67.65832	0.3
69.07065	0.6
71.04359	0.9
71.07380	7.1
71.08631	1.6
81.07050	0.9
83.08650	0.4
85.10167	0.8
86.09711	45.7
91.05458	0.3
93.07025	0.4
95.08602	1.3
98.98466	4.0
104.10747	100.0
105.11082	0.4
109.10162	0.7
125.00008	25.9
140.16743	0.4
163.01575	0.5
184.07347	93.2
185.07764	0.5
209.32693	0.3
236.16878	0.3
247.22104	0.4
257.08087	0.8
258.08411	1.1
258.11090	1.1
285.99298	0.4
299.25760	2.0
330.23541	0.3
342.92276	0.3
451.14856	0.5
454.16931	0.4
464.31378	9.4
465.32205	0.5
482.17825	0.7
482.32452	25.4
483.32901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.6
53.03942	5.2
55.01868	2.7
55.05504	2.9
55.93536	2.1
67.05499	9.3
69.03430	19.7
69.07066	6.8
71.49178	3.4
79.05477	6.3
81.03059	2.1
81.03425	21.8
81.07049	8.7
83.08630	4.0
85.02902	12.0
91.05483	32.6
93.07035	8.6
95.04967	4.5
95.08620	7.5
97.02895	6.3
97.06564	2.5
97.25340	1.8
99.00819	14.3
99.04466	6.4
103.03954	3.4
103.05476	22.3
105.07022	6.5
107.04970	12.1
107.08581	3.8
109.02871	21.2
109.06511	2.3
109.10143	5.7
113.05994	4.3
117.07015	3.1
119.08582	6.2
121.06495	6.7
121.10165	3.4
123.11730	2.3
127.03922	30.6
129.06985	4.4
131.04938	17.5
131.08504	2.8
133.10120	3.1
135.11661	2.6
141.06987	3.7
145.04869	2.8
145.10085	4.5
147.11684	3.1
153.06967	11.0
155.08569	3.5
157.06477	4.2
157.10060	2.7
159.08096	2.6
165.07010	12.1
166.07791	16.5
167.08553	2.9
168.05688	2.6
169.06606	2.2
170.07231	6.3
171.08012	3.3
179.08530	4.5
181.06506	20.1
181.10123	45.6
182.07249	5.9
183.08073	8.0
185.09709	2.1
187.05995	10.8
189.12766	2.1
195.08018	5.2
196.05209	12.1
197.05960	6.2
198.06705	9.7
199.07610	3.5
203.08591	4.1
205.10141	12.1
209.05977	9.3
211.07527	19.3
212.08176	2.5
213.09109	47.0
215.08557	19.4
225.03812	2.3
226.06204	3.3
227.07053	10.3
233.09622	20.6
239.07053	21.2
240.07687	6.8
241.08606	100.0
242.09361	36.7
243.07915	4.3
255.10167	4.0
257.08041	2.3
261.09134	9.9
275.20093	3.7
285.06195	5.1
345.11401	4.0
363.13919	2.3
373.12042	2.6
375.12360	3.1
401.11697	3.6
420.13458	4.2
434.15247	2.6
436.12939	4.5
451.15305	19.3
454.31516	2.3
465.16913	4.8
468.15344	3.6
483.18152	64.0
484.17477	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	483.1798
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
69.72608	2.7
74.80490	0.4
81.27661	0.4
107.04987	0.6
107.86359	0.4
127.15314	0.5
131.04861	0.8
141.06979	1.1
147.04459	0.5
149.59926	0.5
149.85167	0.4
152.06210	0.7
153.07013	3.6
155.08556	1.2
157.06483	2.0
165.06984	1.9
167.08507	0.5
169.06436	1.7
170.07199	2.8
171.08002	0.8
180.05580	0.8
181.06477	10.7
182.07266	4.7
183.08076	2.8
184.05118	0.5
185.05952	0.7
185.09641	0.8
195.08051	2.7
197.05991	3.6
198.06734	11.5
199.07509	4.7
209.05998	1.4
210.06732	1.3
211.07561	2.9
212.08125	0.9
213.09111	9.4
225.05571	1.4
226.06052	1.8
227.07018	3.5
228.07468	1.1
239.07027	0.6
240.07654	0.8
241.08594	100.0
242.09329	16.2
243.09782	2.0
257.08093	1.0
373.12146	1.1
376.10190	0.5
377.11206	0.5
379.13217	0.8
390.12259	1.1
391.12982	1.2
392.14029	0.8
417.11127	0.7
418.11844	1.0
419.12714	1.7
420.13501	1.7
423.15674	1.3
433.14490	1.0
434.15167	1.5
436.13113	0.9
437.13193	0.7
450.14203	1.3
451.15085	3.3
452.15839	2.1
465.17099	1.7
468.15942	1.3
483.17746	39.2
484.17889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00590	0.5
54.27148	0.5
62.74683	0.4
67.05496	0.5
69.98906	2.4
72.52173	0.5
75.30198	0.5
81.07048	0.6
83.63200	0.5
85.02892	1.0
91.05483	0.9
93.07030	0.9
95.08614	0.7
98.20878	0.9
104.61208	0.5
107.04941	0.7
107.08565	0.7
109.02822	0.6
122.27207	0.6
127.03879	0.8
131.04913	0.8
141.06966	1.3
142.07689	0.6
145.06448	0.7
152.06177	1.5
153.07016	4.4
155.08609	0.9
157.06444	1.4
165.06937	3.3
166.07722	0.6
169.06520	2.5
170.07280	2.2
171.04370	1.2
171.08032	1.0
180.05614	1.3
181.06488	9.8
182.07265	3.7
183.08043	3.4
185.09656	2.2
187.07564	1.0
194.77232	0.6
195.08031	2.6
196.05161	0.8
197.05954	2.1
198.06764	7.6
199.07518	2.4
208.05243	0.6
209.06058	3.0
210.06790	1.0
211.07582	2.6
212.08240	1.1
213.09116	19.9
214.09613	0.6
225.05482	1.0
225.09129	1.4
226.06255	2.3
227.07088	5.4
229.08722	0.9
239.07007	1.3
240.07730	1.0
241.08611	100.0
242.09348	18.1
243.10065	1.2
248.84261	0.7
253.08569	1.3
257.08069	3.0
261.09012	0.6
274.45728	0.7
345.12881	0.8
349.54218	0.6
363.13885	0.7
371.10754	0.7
372.11444	1.0
373.12314	1.8
389.11609	1.2
390.12509	1.3
391.13266	0.5
401.11713	1.0
402.12622	1.0
405.15015	1.0
407.12680	0.6
408.13562	0.7
409.14566	0.7
417.11530	0.6
418.12204	1.0
419.12738	2.3
420.13519	1.0
423.15933	1.2
433.14301	2.8
434.15170	2.2
435.12277	1.1
436.13129	1.3
450.14438	2.0
451.15475	6.8
452.16058	1.2
465.17004	4.7
468.15829	2.4
483.17984	32.7
484.18753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1803
Annotation	Blestrin B
Peak:m/z	Relative Intensity
51.92099	0.4
64.80789	0.4
69.43582	0.5
70.57469	0.4
70.99458	0.9
70.99783	0.5
82.42601	0.5
86.45277	0.4
87.27038	0.4
92.93055	0.4
115.05385	0.5
120.34246	0.4
141.06969	1.3
144.05685	0.5
145.06477	0.5
152.06206	1.7
153.06970	4.0
154.07718	0.4
155.08549	1.2
157.06493	1.9
165.07005	2.9
167.08571	0.5
169.06482	1.9
170.07315	3.3
171.04362	0.6
171.08044	1.0
180.05711	1.0
181.06500	10.6
182.07275	4.9
183.08058	3.8
185.06000	0.6
185.09538	2.0
187.07535	1.0
195.08099	3.1
197.05981	2.9
198.06729	8.6
199.07565	2.0
209.05869	0.7
210.06784	0.8
211.07497	3.3
212.08179	1.1
213.09116	26.6
214.06245	0.9
214.09554	0.6
223.07483	0.5
224.08192	0.7
225.05565	0.6
225.09009	1.2
226.06285	1.3
226.09827	0.7
227.06984	3.6
229.08583	1.3
239.06914	1.0
241.08598	100.0
242.09343	15.7
243.09991	1.5
253.08571	2.0
254.09143	0.5
257.08096	8.2
279.10257	0.7
315.10532	0.5
318.10693	0.4
345.93451	0.5
361.12299	0.6
362.13147	0.5
363.13565	0.6
373.12320	1.2
379.12799	0.5
389.11703	0.7
390.12341	0.9
391.13232	1.1
401.11871	0.9
402.12689	1.1
405.14832	1.6
407.12564	1.1
408.13483	0.7
417.10666	0.5
418.11877	1.0
419.12747	2.4
420.13504	1.6
421.14297	0.7
422.14606	0.7
423.15842	2.2
433.14261	2.3
434.15085	3.3
435.12207	1.3
436.12912	1.1
450.14478	1.8
451.15430	7.6
452.16199	1.2
455.18021	0.6
465.17062	5.5
468.15799	2.2
483.17963	33.6
484.18829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1804
Annotation	4,4'-Dimethoxy-2,7,7'-trihydroxy-9,9',10,10'-tetrahydro-[1,2'-biphenanthrene]
Peak:m/z	Relative Intensity
51.71994	0.7
55.01855	1.4
68.99772	2.2
70.10350	2.3
85.02890	3.0
95.08643	0.6
100.67047	0.7
107.04926	0.9
115.05439	1.6
117.06969	0.7
129.06961	0.9
138.32962	0.7
141.06992	14.5
144.05717	0.9
145.06522	3.8
152.06165	0.9
153.07008	6.1
155.08565	4.8
157.06490	1.9
159.07997	1.4
161.09624	0.9
165.07010	13.6
167.08536	1.3
168.05707	2.8
169.06497	25.3
171.04413	2.4
173.05956	2.0
173.09705	0.7
181.06516	3.7
182.07227	1.2
183.04488	0.7
183.08061	15.9
186.06728	0.9
187.07475	1.0
193.06404	1.3
195.08043	1.5
196.05208	2.3
197.05988	40.3
198.06744	3.8
199.07407	2.0
201.09085	5.7
211.07559	23.7
212.08189	2.2
213.05511	0.9
213.09087	2.5
214.06255	3.1
215.07024	1.5
225.05481	15.8
225.09010	1.3
226.06027	1.6
226.09877	2.4
227.07201	3.3
227.10672	9.8
228.07744	0.8
229.08609	28.8
239.07088	2.4
240.07074	0.7
241.04877	0.9
241.08600	8.4
242.05701	1.1
242.09390	3.1
243.06429	0.8
257.08102	100.0
258.08438	1.4
296.94553	0.6
455.17859	0.6
483.17896	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1804
Annotation	4,4'-Dimethoxy-2,7,7'-trihydroxy-9,9',10,10'-tetrahydro-[1,2'-biphenanthrene]
Peak:m/z	Relative Intensity
67.05472	0.8
69.98575	1.9
74.38401	0.3
79.05456	0.6
81.07037	0.7
85.02899	0.6
91.05439	0.6
91.28825	0.5
93.07024	0.9
98.21497	0.8
100.63972	0.4
105.07018	0.6
114.35867	0.4
119.08562	0.7
121.10161	0.5
133.10123	0.5
142.07733	0.5
143.87524	0.4
152.06198	1.5
153.07005	5.1
154.07730	0.6
155.04791	0.4
155.08533	1.3
157.10159	0.6
159.08119	0.5
165.06982	1.6
169.06540	1.0
170.07260	1.7
176.24380	0.5
180.05719	1.2
181.06473	7.0
182.07318	3.0
183.07986	1.6
185.09610	1.8
187.07512	0.6
195.08034	2.0
197.05890	0.7
198.06758	6.4
199.07523	2.7
207.08105	0.7
209.05925	1.0
210.06660	0.5
211.07468	0.7
212.08527	0.6
213.09103	16.0
214.09544	1.0
224.08337	0.7
226.06256	0.5
227.07083	1.1
239.07001	0.4
240.07799	0.7
241.08601	100.0
242.09262	7.6
257.07990	1.0
308.16031	0.5
322.09625	0.5
326.23865	0.4
361.12155	0.5
373.12189	0.5
385.28033	0.4
389.11398	0.5
390.12308	0.7
401.11630	0.9
405.14853	1.4
417.11514	0.5
418.12219	0.5
423.16113	0.6
433.14355	1.3
434.15005	1.0
435.11972	0.6
436.12830	0.5
450.14502	1.3
451.15396	3.5
465.17148	2.0
468.15729	0.5
483.18018	15.7
484.18240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1804
Annotation	4,4'-Dimethoxy-2,7,7'-trihydroxy-9,9',10,10'-tetrahydro-[1,2'-biphenanthrene]
Peak:m/z	Relative Intensity
51.95054	0.5
55.01847	1.1
66.22599	0.5
67.05461	1.0
68.99754	1.6
69.07047	0.5
69.92827	2.1
82.98169	0.4
85.02875	1.0
91.05441	1.3
93.07030	0.6
95.08604	0.7
98.98463	0.6
103.84509	0.4
113.02345	0.7
115.05412	1.3
121.10159	0.6
128.06245	0.6
128.93324	0.5
129.06970	1.7
131.08492	0.5
141.06984	7.1
145.06444	1.2
145.10109	0.6
152.06198	2.6
153.06990	6.5
154.07784	0.6
155.01015	0.6
155.04930	6.8
155.06084	1.0
155.08563	2.7
157.06491	0.8
165.07007	8.2
166.07608	0.6
166.43790	0.5
167.08528	0.6
168.05759	3.0
169.06505	14.4
169.30222	0.4
170.07246	2.2
171.04332	2.3
171.07988	0.9
179.04834	3.2
180.05637	1.6
181.06448	6.5
182.07298	3.0
183.04523	3.0
183.08043	12.0
185.06017	0.5
185.09608	2.1
186.06709	1.5
187.07520	0.8
193.06502	1.4
195.08026	2.3
196.05191	2.8
197.05983	27.1
198.06741	6.1
199.07562	2.4
200.07950	0.6
201.09082	1.3
207.04425	21.2
208.04750	0.8
209.06012	2.6
210.06610	0.7
211.05527	1.0
211.07547	16.7
212.08189	1.2
213.05698	0.7
213.09100	12.8
214.06233	0.8
214.09422	1.4
224.08527	0.5
225.05467	30.0
226.06055	2.4
226.09810	1.8
227.07132	2.3
227.10602	5.9
228.07407	0.8
229.08603	11.5
230.08910	0.6
239.07024	7.3
241.08601	57.7
242.09303	5.9
243.09723	0.8
257.08093	100.0
258.08459	2.4
347.52942	0.7
433.14746	0.6
451.15494	0.9
464.18787	0.5
465.16959	2.0
468.15289	1.8
483.17883	31.8
484.18146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
67.05499	3.5
69.03430	1.8
69.07066	4.1
70.03513	5.0
70.03838	0.9
70.06603	2.5
71.04980	1.4
79.05489	3.0
81.07072	3.0
84.08141	1.3
85.02891	1.8
86.09705	3.6
91.05493	1.3
93.07056	2.4
95.04959	1.9
95.08607	4.4
95.49485	1.0
98.20837	1.5
99.05594	2.4
105.07036	1.9
107.04961	70.2
107.08557	1.2
109.10169	4.3
111.05594	0.9
119.08556	1.8
120.08109	4.8
127.03867	1.4
131.08644	1.2
133.10178	1.5
136.11217	3.5
137.06044	1.2
137.09650	2.4
143.08440	0.9
154.12277	3.6
171.11688	1.3
179.11818	17.5
183.86336	1.1
190.88651	1.0
197.12865	87.0
199.14819	1.1
213.08936	1.0
215.13922	100.0
217.15898	1.6
222.23228	0.9
223.11081	1.0
330.29874	1.0
483.18079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80356	1.1
55.05499	2.6
57.07080	23.8
67.05518	2.7
69.00523	1.0
69.07059	3.1
71.08247	1.3
71.08638	25.7
71.49339	1.7
73.06560	4.2
81.07038	2.7
83.08624	4.6
85.10186	24.5
87.04475	2.8
89.06038	100.0
91.05459	1.5
91.07557	1.4
93.07073	1.5
95.08609	2.8
97.10165	2.0
99.11750	3.0
105.07034	1.1
107.08624	1.5
108.29476	1.2
117.06910	1.1
117.09164	6.0
130.08658	2.6
133.08614	50.1
133.10095	2.0
141.16391	6.4
144.68959	1.2
177.11206	17.2
179.05573	1.3
185.19043	4.3
195.64851	1.2
200.20200	1.0
221.13892	3.1
228.23296	1.2
229.21599	10.0
239.14964	2.7
265.16562	1.2
270.11707	1.3
273.24268	5.1
283.17416	2.5
283.26239	1.4
327.20148	9.4
379.31216	1.1
422.20340	3.0
440.21405	1.4
466.23285	2.7
467.35922	12.4
484.36096	2.0
484.47137	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	485.1058
Annotation	Rostratin C
Peak:m/z	Relative Intensity
50.97757	0.6
69.85112	3.8
78.59464	0.6
88.39108	0.7
96.65758	0.8
117.59626	0.7
144.13918	0.7
151.58878	0.7
210.85475	0.7
217.61818	0.6
246.89478	0.8
485.10580	100.0
486.10886	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	485.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15779	0.9
51.91899	1.1
56.96564	7.1
62.32102	1.1
69.03423	2.4
71.32166	1.6
84.96027	6.6
85.02895	4.3
86.09663	1.5
93.44313	1.0
97.02899	1.8
97.96807	1.8
98.97588	18.9
107.04954	5.0
110.07130	1.4
110.97588	7.0
112.99216	1.4
116.98626	4.2
123.05558	1.5
124.99023	1.3
128.31816	1.1
128.98615	3.4
131.00174	1.3
140.98640	2.2
143.00198	3.4
158.99664	4.8
161.01292	1.3
161.02910	1.1
170.99644	1.3
177.00783	1.5
193.01747	4.0
201.00743	4.3
205.01680	1.7
207.03317	1.3
211.02792	1.8
215.27567	1.2
219.01788	13.4
221.05064	1.3
222.87688	1.3
223.02782	7.0
233.01018	1.6
234.31093	1.1
237.02890	9.1
241.03761	2.0
251.02295	5.2
260.02145	1.6
261.02881	2.4
265.03799	1.3
269.03271	6.1
287.04660	2.0
309.08582	1.3
325.05804	1.4
367.06952	2.8
381.04996	1.2
395.06494	41.3
485.10538	100.0
486.10715	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	485.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95584	1.2
57.27117	1.0
61.23807	1.0
70.17043	4.3
98.97597	2.7
112.41405	1.1
112.89645	1.1
161.02928	1.3
175.49771	1.1
185.02985	2.1
203.03990	1.8
237.02957	1.5
245.05183	5.2
291.69745	1.1
351.11435	2.5
365.09268	2.8
437.60806	1.3
471.70618	1.6
485.12708	100.0
486.13345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97403	0.8
53.03958	1.8
55.01868	1.1
55.05506	1.3
57.03434	7.0
58.99586	2.1
61.02926	0.6
65.03943	1.1
67.05493	2.8
69.03429	2.1
69.07066	1.6
69.23835	0.7
70.06557	0.9
71.05000	1.2
71.22176	0.6
71.48515	1.2
74.00672	1.2
76.02225	0.8
77.03919	0.7
79.05488	4.2
81.03429	1.5
81.07056	4.9
84.08100	0.8
85.02914	4.8
85.06541	1.0
86.00653	0.9
86.99026	0.8
88.02208	8.3
91.05485	2.7
93.07062	4.3
95.04964	5.3
95.08617	3.1
97.02886	1.6
97.06534	1.8
98.00659	1.8
99.04430	0.8
103.05470	1.4
105.04524	1.0
105.07043	3.8
107.04961	100.0
107.08575	2.3
108.04436	0.6
108.05259	1.1
109.02892	1.3
109.06510	1.3
109.10158	2.9
112.02192	2.6
112.07634	1.0
114.03757	39.9
116.01677	10.3
117.07020	1.1
119.04942	0.9
119.08589	2.2
121.02879	1.6
121.06497	0.8
121.10123	3.4
123.11749	1.9
126.03748	3.4
126.04592	0.7
127.02142	5.6
127.03943	1.9
130.05037	1.3
131.04929	2.6
131.08585	1.6
133.10124	1.4
135.11708	0.9
137.06015	1.5
137.13155	0.7
139.11261	0.8
143.08562	0.8
144.01132	4.1
144.04778	1.9
145.06444	1.7
145.10110	1.5
146.06017	1.3
147.04393	0.7
147.11650	1.2
148.07565	3.0
149.09566	0.8
150.01772	0.8
151.07539	0.9
152.05302	2.4
154.06853	1.2
157.06537	0.8
160.07616	4.8
162.02203	7.4
163.11194	1.4
169.04370	1.1
170.06358	44.1
171.05901	2.2
173.13182	0.8
177.03514	2.4
177.05345	0.9
178.03273	1.7
178.04919	0.9
179.04875	1.1
186.09128	0.8
198.05881	2.5
199.07399	0.9
201.09116	8.0
201.16185	0.7
202.05322	0.8
204.04814	5.3
209.09479	0.9
213.09065	0.8
215.04930	4.1
217.06398	2.1
217.10982	1.0
219.17299	0.9
224.05597	0.7
227.08495	8.3
233.06329	3.3
237.09114	2.6
253.27591	0.7
255.07950	8.0
258.09555	1.5
265.08755	1.0
273.09048	91.3
274.09384	1.3
276.10605	2.4
281.92062	0.7
305.24881	0.8
307.07526	1.6
323.25464	0.8
361.12079	4.2
379.13242	59.6
380.13403	2.1
447.46994	0.7
485.17209	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	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.03429	6.6
57.07074	24.5
67.05491	8.2
69.07050	4.3
69.14403	29.3
71.08635	13.4
76.86570	3.1
81.07042	6.7
83.08623	4.6
85.10174	8.1
95.08585	9.1
98.98450	8.9
109.10104	3.3
111.23019	2.5
155.01080	5.2
158.71303	2.8
197.44066	2.7
211.71271	2.9
239.58253	3.0
258.17749	2.9
285.01312	3.3
296.60083	2.8
313.27377	100.0
339.28873	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	485.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	4.8
55.05507	15.4
55.85425	4.0
57.07050	4.7
59.05008	3.5
61.41804	3.3
67.05504	32.7
69.03428	19.1
69.07069	34.8
69.31590	30.9
71.04987	13.9
76.52473	3.5
79.05487	26.8
81.03407	7.9
81.07054	100.0
83.04965	3.7
83.08612	7.5
85.02899	35.6
85.06547	8.1
91.05480	15.9
92.54353	3.5
93.07050	54.7
95.04976	9.0
95.08607	66.5
97.02884	10.6
97.06532	17.3
97.10186	6.0
98.20715	6.6
99.08088	6.6
105.07037	31.2
107.04961	17.2
107.08590	60.5
109.02901	6.6
109.06504	8.6
109.10168	46.8
111.08083	26.8
111.11753	8.1
119.08601	29.3
121.06547	5.2
121.10138	39.6
123.08112	5.3
123.11723	31.8
125.09621	14.8
127.03949	5.9
127.75682	4.1
131.08537	7.8
133.10124	26.2
135.08078	4.6
135.11682	33.0
137.09625	13.0
137.13274	6.7
139.11176	12.1
145.10138	22.6
147.11725	19.9
149.09637	4.3
149.13281	24.1
151.11180	32.6
153.12718	18.3
157.10127	7.4
159.11700	16.8
160.73827	3.5
161.13268	15.6
163.11180	5.7
163.14793	7.2
165.12810	8.3
169.12259	9.8
171.11655	5.1
173.13268	9.9
175.14877	9.1
187.14798	5.1
189.16321	10.5
201.16415	9.2
203.17961	9.9
204.09343	4.2
213.16431	5.2
215.17964	7.5
219.17496	7.7
233.19048	6.1
269.22650	8.2
279.10040	9.9
287.23718	12.1
293.11716	5.4
305.24716	15.5
321.11240	16.1
323.25732	7.0
345.11316	10.0
357.20105	3.6
485.17630	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	485.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01858	3.9
55.05516	26.6
57.03436	29.0
57.07070	8.9
61.02932	81.5
67.05510	85.9
69.03432	34.3
69.07069	30.3
71.01340	4.2
71.04978	10.0
71.48589	5.1
73.02931	32.3
76.96557	2.3
79.05497	26.7
81.03423	22.9
81.06592	5.0
81.07059	75.8
82.88348	2.3
83.04979	7.3
83.08627	18.6
85.02908	69.9
85.06537	3.1
86.36915	2.4
91.03958	44.7
91.05495	20.4
93.07058	30.5
94.93934	2.4
95.04933	3.5
95.08614	62.6
97.02899	57.9
97.06512	6.2
97.10160	10.0
99.04459	10.0
101.02375	11.7
103.03938	9.0
105.07031	16.9
107.04964	93.4
107.08567	17.4
109.02849	8.2
109.10160	31.5
111.08047	3.4
113.09653	3.5
115.03907	5.0
119.08588	13.3
119.10244	2.3
121.10133	16.2
123.11736	13.8
127.03932	22.8
129.05458	5.5
131.08580	5.8
133.10152	13.4
135.11707	17.0
137.13245	6.0
143.08543	3.4
145.04941	9.8
145.10138	4.4
147.11676	11.9
149.13242	10.3
159.06470	3.3
161.13278	7.6
163.14957	2.6
170.51472	2.8
173.13272	3.7
175.14861	3.4
183.06487	4.6
189.16379	3.0
201.07610	4.4
231.21045	10.0
249.22183	23.2
273.18372	4.2
289.21344	3.4
323.22021	5.8
323.25821	100.0
351.24930	3.0
357.24393	4.2
379.22681	6.2
423.21729	2.5
438.26422	3.0
467.30310	5.4
469.47714	2.5
485.31110	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	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05524	14.6
57.07057	4.8
65.03928	3.5
65.90820	2.6
67.05499	18.2
69.07043	13.8
69.95609	3.1
70.09329	10.9
71.04990	4.3
73.14235	2.8
79.05489	34.2
81.06602	5.4
81.07059	91.6
83.04963	6.6
83.08634	6.7
85.06541	3.1
91.05485	28.9
93.07039	31.7
95.04958	5.5
95.08607	24.3
97.06509	5.4
97.10145	4.0
99.04443	8.2
105.07021	34.6
107.04941	5.4
107.08597	40.2
109.06516	38.1
109.10145	11.2
111.08118	3.6
115.05424	4.7
117.07009	10.2
119.08581	44.2
121.06506	3.6
121.10155	18.0
123.08051	7.8
123.11686	10.5
129.07011	6.7
130.07881	3.5
131.08578	21.7
133.10161	35.0
135.08051	20.9
135.11664	12.1
137.09641	7.3
142.07782	5.7
143.08607	17.9
145.10138	26.5
147.08076	6.0
147.11696	19.8
149.09615	23.0
149.13287	3.5
151.11174	4.6
152.06053	2.7
153.06984	3.4
155.08543	11.2
157.10106	23.2
158.10686	3.7
159.08072	4.3
159.11739	19.5
161.09612	24.3
161.13245	10.4
163.11137	8.1
165.12740	3.3
167.08559	3.8
167.64967	3.1
168.09381	3.1
169.10156	8.6
171.11671	17.7
173.09619	8.0
173.13219	12.1
175.11186	11.1
177.09056	5.4
177.12752	4.2
179.10634	4.7
180.16798	2.9
181.10051	4.9
183.11678	12.4
185.13237	15.1
187.14801	8.9
189.12646	7.1
189.16309	3.2
191.10736	4.6
191.14200	3.7
193.10129	5.7
193.12215	12.3
195.11678	7.1
197.13211	7.0
199.11256	6.5
199.14877	5.1
201.12689	6.4
201.16273	4.2
203.14297	7.1
205.12219	5.6
207.11732	6.8
207.13712	5.6
209.13387	6.2
211.07619	3.3
211.14847	7.4
214.09488	3.6
215.14333	9.4
217.12314	7.1
217.15938	2.9
219.13739	5.8
221.13306	4.9
221.15472	3.1
223.14688	4.0
225.12766	3.7
227.14340	2.9
227.18001	4.3
229.15910	5.0
231.09238	3.0
231.13780	3.2
233.15413	7.3
235.14861	4.2
241.08595	9.2
241.16064	2.9
243.09755	2.9
243.13689	3.3
243.17433	3.3
245.15437	9.5
245.19041	7.4
247.14679	4.0
247.16974	7.8
251.17824	3.5
258.08411	3.7
261.18454	3.7
267.17285	4.2
268.55963	3.2
277.18396	3.3
283.16830	5.0
287.20016	8.4
293.18939	4.3
298.30951	3.4
305.21036	3.9
311.20013	4.1
311.23538	3.1
325.21780	7.4
327.23163	4.5
335.19995	4.3
335.23621	8.9
353.21017	8.1
353.24902	4.0
359.23215	3.4
367.26160	5.7
377.24823	5.8
395.25879	37.3
413.26868	100.0
449.30563	6.3
467.31451	12.2
485.18317	4.1
485.32553	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	486.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34180	1.9
55.05503	7.3
57.07079	19.9
57.93086	2.1
60.57521	2.1
67.05495	3.5
69.07063	8.9
71.08644	13.0
71.49032	1.9
71.78469	1.7
81.07052	8.8
83.08613	6.1
85.10174	7.0
87.04478	14.7
91.05466	2.6
93.07055	2.4
95.08601	6.9
97.10207	3.1
105.07030	2.4
107.08571	6.2
109.10152	7.4
111.11730	2.3
119.08574	4.4
121.06499	4.1
121.10103	4.0
135.08034	5.6
135.11732	1.8
136.07603	2.6
136.08789	1.9
137.09627	9.3
138.09132	4.2
149.09618	14.9
159.11708	3.0
163.11209	15.9
165.09123	100.0
175.11208	5.2
177.09093	11.0
180.10208	9.2
189.12773	2.5
191.10674	8.2
203.10815	2.2
204.13867	3.0
205.12177	10.2
211.82225	2.1
219.13857	4.4
429.37274	54.4
430.38141	4.8
444.38336	2.7
459.93790	2.4
486.39017	2.7
486.47449	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	487.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64576	0.9
53.03942	1.3
55.01856	0.9
55.74151	0.8
56.96310	1.2
56.96568	16.9
57.03429	1.1
61.02919	2.7
69.03430	7.6
70.06616	3.8
71.04983	1.1
71.48134	1.4
71.95265	2.3
72.08157	1.5
73.02915	1.1
76.38493	0.8
79.05480	1.1
81.03407	3.1
84.08158	2.5
84.96050	5.1
85.02909	14.2
86.03242	0.8
86.09698	1.6
87.04476	1.1
91.05486	1.1
95.04940	1.2
96.36480	0.8
97.02894	7.2
98.97587	100.0
99.04472	1.3
102.96923	1.5
107.04957	49.0
108.05302	6.7
108.08144	1.4
109.02895	2.3
110.97579	14.0
112.99111	2.9
116.98623	32.6
119.01855	1.4
119.04942	1.8
123.04434	0.9
124.99087	3.8
127.03952	4.0
128.98619	11.8
131.00160	2.5
134.99687	6.6
136.06142	1.3
137.05972	2.6
140.98598	1.7
143.00179	8.2
144.98073	0.9
145.01764	1.0
145.04970	2.5
145.07658	1.4
146.99638	3.1
147.04401	3.9
152.98604	1.6
158.01022	0.7
158.99669	17.9
161.01247	5.2
161.02982	1.3
162.99091	1.2
163.03937	1.0
168.05333	0.9
170.99654	8.8
173.01344	1.4
177.00706	12.4
177.04160	1.0
182.99721	2.1
185.01289	3.8
185.02808	0.8
187.02684	0.8
189.00723	5.4
194.99727	1.5
197.03027	1.0
201.00671	9.2
203.02295	2.6
203.04065	1.6
204.99878	1.8
205.01732	26.5
213.00734	0.9
219.01782	29.6
221.05087	2.1
223.02808	31.1
223.05005	1.7
225.00539	1.0
227.49080	0.8
231.01608	1.4
234.98915	1.2
235.02826	1.3
237.02803	27.7
241.03841	2.2
243.01773	4.3
245.05190	1.1
246.04224	1.2
260.04803	0.8
261.02814	12.4
265.03842	14.6
279.03983	6.3
287.05630	2.8
291.00168	0.9
291.03787	1.4
294.21799	0.8
302.05005	0.9
303.07648	1.2
307.04892	5.7
309.08463	1.0
321.04889	3.1
321.08307	1.0
325.00247	1.6
325.05975	13.5
343.01199	4.9
343.07016	4.3
345.04822	1.2
349.06335	0.9
361.02298	23.0
363.06021	4.7
367.07013	2.8
369.10284	1.2
379.03311	3.2
381.07092	2.5
385.08069	2.3
397.07889	1.2
427.09259	1.7
487.05820	3.7
487.11676	84.0
488.12225	1.7
505.06812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	4.0
70.61229	7.7
85.02911	3.1
107.04977	5.3
109.02901	2.8
110.04340	2.6
118.06556	18.8
126.69057	2.4
132.08029	6.9
135.40236	2.7
144.08118	15.5
146.06015	64.5
147.04446	3.4
159.09218	9.4
163.03917	22.1
170.06075	4.7
184.33548	3.2
188.07072	100.0
205.09731	41.6
205.21754	2.9
209.44522	2.8
289.91562	2.7
294.11292	2.7
325.09262	6.1
420.58768	2.6
492.02869	2.6
501.17053	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	487.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
52.15125	1.0
53.03931	1.3
54.02150	0.9
55.01854	0.9
65.03931	1.5
67.05500	2.1
67.26331	1.2
69.03402	1.9
69.25441	0.9
69.25743	9.8
79.05489	3.8
81.03397	1.4
81.07056	3.6
91.05469	7.5
93.07039	1.9
94.04173	7.0
95.04971	1.5
95.08601	2.1
98.21463	2.0
103.05451	5.2
105.07022	7.0
107.04951	7.5
107.08572	2.0
109.06496	3.9
109.10136	2.1
115.05421	2.3
119.04931	9.3
121.06503	1.7
121.10144	1.5
122.03657	11.1
123.11678	2.0
128.06190	2.1
131.04935	8.6
131.08495	1.6
133.06447	4.4
137.05978	100.0
141.06935	1.5
145.52902	1.1
146.03604	2.6
147.04407	16.4
147.11609	1.4
149.05988	1.6
158.72597	1.0
159.08011	1.4
161.05988	31.0
163.14595	1.0
171.08014	1.9
173.06042	1.5
184.05206	3.3
187.07570	2.0
191.08510	3.0
192.09305	1.9
199.07533	17.7
202.07742	9.6
203.08560	13.8
219.08119	6.5
220.08858	3.0
221.09569	3.0
230.07303	1.8
231.08057	18.2
232.08781	5.5
233.09532	1.0
235.11095	1.7
236.81374	1.1
247.07430	2.4
248.08308	9.8
249.08998	1.8
259.07617	12.1
260.08353	7.6
261.04752	1.2
263.10651	7.1
265.08627	1.5
275.07065	2.2
276.07794	7.3
277.08545	3.3
278.48367	1.1
291.10141	48.1
292.10718	5.5
293.08008	1.6
295.09958	1.3
295.13232	2.3
308.10165	2.0
323.12793	18.3
417.70663	1.3
437.72958	1.1
464.91867	1.1
487.17770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	4.2
57.03439	3.3
69.03434	14.3
69.86958	3.2
70.06594	10.2
71.04977	6.4
71.21658	6.1
72.08160	7.4
81.03427	15.5
84.04506	3.3
84.08169	4.4
85.02882	6.2
86.09706	40.5
87.05589	3.2
99.04463	6.2
105.06992	4.9
107.04961	10.4
115.05069	7.3
116.07070	3.4
117.05457	3.7
118.06552	4.7
121.10094	4.7
132.10173	3.8
136.07452	3.0
141.06631	4.0
147.09164	5.6
149.09613	34.6
158.12309	3.0
167.10710	4.9
171.11290	3.3
172.07161	5.4
173.07114	10.0
173.09195	3.2
175.08731	5.6
186.08846	4.2
191.08147	100.0
243.10930	10.0
260.15918	3.1
307.12976	28.4
310.22150	3.5
325.14001	78.4
328.19824	6.1
353.07031	3.2
356.19211	5.5
425.94421	3.3
462.47635	2.8
487.28146	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	487.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01865	4.5
55.05514	30.0
56.30281	2.7
57.03437	23.5
57.07080	12.7
60.50493	2.8
61.02930	61.1
62.91407	2.6
65.59419	2.3
66.20438	2.5
67.05509	38.0
69.03149	2.6
69.03439	30.5
69.07079	45.5
69.83189	16.5
71.01351	5.6
71.04996	5.0
71.08633	6.5
73.02930	25.6
73.44117	2.7
79.05502	19.8
81.03432	17.9
81.07057	48.1
81.94785	2.5
83.04990	6.3
83.08626	31.2
85.02910	68.0
85.06524	3.8
85.10162	2.7
91.03962	39.3
91.05461	4.4
93.07052	24.4
95.04955	2.9
95.08612	42.9
97.02896	56.9
97.06535	7.6
97.10184	22.4
99.04441	9.6
101.02377	11.3
103.03943	7.1
105.07009	5.6
107.08612	18.3
109.02883	8.8
109.10144	17.9
111.08101	3.6
111.11707	8.9
115.03928	6.4
117.05490	2.9
119.08586	5.1
121.10162	22.6
123.11704	10.1
127.03909	19.9
129.05499	5.1
131.08540	2.9
135.11711	22.2
137.13264	3.2
145.04997	10.0
145.10161	4.3
149.13261	14.2
151.14787	4.2
159.06528	3.2
163.14861	4.8
171.11705	3.9
177.16373	4.7
201.07579	6.6
233.22604	15.4
251.23701	31.6
291.22986	3.8
325.27368	100.0
326.27585	3.3
353.26630	5.6
359.25763	3.9
469.31403	5.1
487.27432	3.5
487.32709	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86830	1.2
53.03938	2.0
57.27246	1.2
59.55727	1.1
70.06600	3.3
71.07294	1.6
71.07615	2.0
72.08180	1.9
73.97815	1.2
79.05499	1.9
80.70480	1.2
84.08142	1.5
85.02898	1.4
86.09691	6.9
90.05562	7.8
95.04967	2.3
107.04960	100.0
116.03456	1.5
123.04475	1.2
124.07572	1.4
134.65247	1.3
142.08617	1.9
178.35165	1.3
184.09802	1.9
202.10776	3.3
220.11821	30.3
275.53561	1.4
291.31689	1.5
343.70410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.2
57.05835	0.5
67.93243	0.5
69.07069	7.3
70.06599	4.3
71.48674	0.8
72.08154	3.8
74.02439	1.2
84.04514	6.8
84.08141	5.2
85.02911	1.5
85.06549	0.6
86.09708	100.0
87.05600	3.2
87.10033	1.1
100.68315	0.5
101.07127	0.7
102.05545	6.8
107.04955	3.4
110.07203	0.8
116.03470	0.9
116.53301	0.5
120.08109	0.5
121.10193	0.7
124.07601	0.5
129.06601	1.6
129.10251	4.9
130.05016	1.9
130.08633	0.6
133.06091	16.7
147.05884	0.5
147.07661	2.0
147.09154	0.5
170.11812	2.0
178.05357	0.8
197.12901	2.2
201.12361	1.0
215.13907	14.6
225.12262	0.8
228.13428	0.8
229.11841	4.3
243.13409	28.7
246.14499	22.5
260.16083	1.3
268.56689	0.5
356.21774	3.2
357.17624	0.8
375.18750	1.0
488.28104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.38562	3.2
55.05513	23.0
57.07079	15.9
67.05238	2.8
67.05505	31.7
69.07069	44.5
71.08615	6.3
71.20014	5.4
79.05489	26.7
81.06593	5.2
81.07059	71.0
82.18880	2.9
83.08621	22.9
91.05492	17.0
93.07040	56.3
95.08614	99.7
97.10170	13.5
105.07034	38.9
107.08598	100.0
109.06520	6.0
109.10159	65.3
111.08057	3.8
111.11694	4.2
117.07034	4.2
119.08590	42.2
121.06500	4.7
121.10146	46.7
123.08067	4.1
123.11724	36.4
123.89047	3.2
125.13290	3.4
131.08589	19.2
133.10153	24.3
135.08025	9.5
135.11696	23.8
137.13272	6.7
142.85300	3.2
145.10164	23.9
147.08035	10.2
147.11659	21.9
149.09610	17.6
149.13254	20.4
151.11195	3.9
153.09125	14.2
155.08543	3.3
157.10144	7.7
159.08040	4.3
159.11681	18.5
161.09584	4.2
161.13284	27.8
163.11195	5.0
163.14799	33.4
164.09625	3.0
165.09164	3.0
165.12637	3.8
167.10733	20.9
173.13239	10.2
175.11176	4.2
175.14825	12.1
177.12723	4.2
177.16440	6.7
181.12288	4.5
185.13258	4.9
187.14821	22.6
189.16412	6.6
195.13837	4.7
199.14867	5.0
203.17995	5.4
205.15881	40.0
205.19534	6.5
207.17445	10.3
209.15390	4.4
217.15948	3.4
217.19478	9.1
219.13921	3.7
219.20988	7.4
220.00185	3.4
223.16943	42.0
229.19598	6.5
231.21075	10.2
233.15390	11.1
234.22025	6.6
235.16940	11.0
241.48100	2.9
247.16835	3.9
247.20514	4.4
249.22192	6.0
251.16397	4.5
329.24744	8.4
369.28262	3.8
411.32077	4.1
453.37372	46.3
471.38287	10.9
488.36823	5.5
488.44266	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	489.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.5
69.03423	3.5
70.06585	1.4
70.92838	3.2
70.93189	2.5
72.08146	2.8
74.21587	1.8
81.03436	2.5
81.67512	1.7
84.57710	1.6
85.02898	8.5
86.09697	4.1
91.05486	2.5
93.07059	2.9
95.04983	1.9
97.02903	3.2
101.74007	1.7
107.04962	100.0
111.04438	5.1
118.06517	4.4
119.04951	11.2
121.06528	19.0
122.06062	2.1
130.06531	41.9
132.04454	9.1
132.08170	3.8
134.06004	7.9
136.07587	9.0
144.08070	14.4
145.07649	9.3
146.06003	14.3
148.07578	37.4
154.06575	2.9
157.07632	25.9
158.06026	39.2
159.09190	7.3
160.07582	4.8
169.07578	8.6
171.09195	7.6
172.07593	8.9
174.05513	4.9
175.08701	28.1
180.06528	9.5
181.07625	2.5
183.09177	18.6
184.07610	2.0
185.07141	5.0
186.05544	1.6
187.08714	2.7
188.07095	4.6
192.06523	10.3
196.07596	2.4
199.08667	3.9
199.94009	1.8
200.07109	9.2
203.08151	40.5
204.06618	1.7
207.09138	1.8
209.07111	4.4
210.09113	2.5
217.09746	14.8
221.09204	22.9
225.10283	2.5
227.08199	2.4
231.07759	2.1
238.08612	5.0
245.09264	8.3
263.10330	19.1
277.13440	3.1
280.11969	2.1
289.13318	3.3
292.11841	31.6
301.12122	2.1
309.12460	2.1
310.12808	4.9
321.14444	2.5
322.12936	2.0
347.12256	4.2
348.10718	3.9
365.13455	18.1
383.14505	27.0
443.18347	1.8
445.19611	2.8
471.17499	7.4
489.18683	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	489.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05508	2.5
67.05487	4.7
69.07056	2.4
69.85944	7.6
70.06577	1.5
70.80516	1.3
79.05497	4.5
80.10951	1.5
81.07062	3.7
83.84232	1.8
91.05482	6.9
93.07063	3.5
94.04175	5.3
95.08615	5.4
98.21465	2.0
103.05501	3.1
105.07036	9.9
107.04963	26.5
107.08596	2.3
109.06519	3.0
109.10157	2.2
115.05446	2.2
116.96513	1.5
119.04955	2.8
119.08557	1.7
121.06483	1.8
121.10143	2.7
122.03654	11.9
127.11217	1.5
128.06219	3.6
129.94501	1.6
131.04930	2.1
133.06494	5.4
133.10149	2.2
135.11639	2.1
137.05978	100.0
143.08540	2.4
145.10117	2.2
146.03613	3.0
147.04413	11.6
156.05774	1.8
159.08096	2.3
161.05983	35.5
163.11218	1.5
165.06960	1.7
171.08076	2.5
174.19974	1.4
184.05193	2.8
187.07549	2.0
191.08583	1.7
192.09213	1.5
199.07523	17.6
202.07782	7.9
203.08577	17.1
205.06639	2.2
209.13229	1.5
212.53624	1.9
219.08093	6.9
220.08829	6.4
231.08061	20.6
232.08795	5.4
235.39648	1.5
247.07547	5.9
248.08371	12.6
249.09053	3.3
258.06699	1.7
259.07535	13.4
260.08340	6.1
261.05356	1.4
262.10025	1.6
263.10767	11.0
270.53922	1.4
271.99304	1.5
273.06390	1.6
275.06946	2.4
276.07858	8.2
277.08640	4.8
291.10159	56.8
292.10852	6.2
293.08096	5.3
295.13443	1.5
305.11847	1.8
308.10361	3.9
309.95294	1.6
323.12772	46.1
422.37439	1.6
436.98578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38074	2.3
53.03943	2.9
55.01866	3.4
55.05516	18.8
57.07077	11.4
59.05017	2.1
67.05507	28.5
67.70302	2.0
69.03428	8.6
69.07069	38.4
70.06594	14.1
70.10695	4.2
70.11087	5.5
71.04988	3.8
71.08615	8.1
75.17519	2.3
78.80467	2.1
79.05508	19.5
81.03394	2.4
81.07059	100.0
83.04971	3.8
83.08624	15.8
85.02908	17.8
85.06561	10.6
86.09723	20.8
88.03933	2.1
91.05484	11.2
93.07052	33.1
95.04950	4.8
95.08612	71.6
97.02885	5.6
97.06521	8.8
97.10149	7.1
98.21444	2.4
99.08079	6.9
103.05503	2.4
105.07034	16.4
107.04964	13.6
107.08591	42.0
109.02882	2.5
109.10160	48.7
111.08080	13.2
111.11684	7.3
116.07095	7.2
119.08585	12.6
120.08102	15.1
121.10155	26.7
123.04371	2.1
123.08053	5.9
123.10835	3.1
123.11711	48.2
125.09610	4.4
127.03878	5.0
131.04944	3.9
131.08656	3.0
133.10156	6.2
135.08072	2.5
135.11699	19.6
137.05962	22.4
137.13258	24.2
139.11205	2.8
141.12840	3.0
145.04903	2.9
146.61465	2.5
147.08073	3.7
147.11694	10.5
149.13257	19.2
151.07526	7.0
151.14844	2.7
153.12675	10.6
157.10104	2.3
157.81683	2.1
159.08006	2.7
160.05280	2.1
161.05931	4.8
161.13261	5.5
163.07576	2.4
163.14781	9.0
165.12729	4.6
165.16403	2.2
167.14276	4.4
170.25038	2.1
171.13843	2.1
173.01625	2.1
175.07571	6.0
177.16374	8.3
179.07065	2.6
179.17928	4.3
185.13327	2.9
187.07535	8.1
189.12747	4.0
189.16371	3.8
191.17949	3.5
203.17819	2.7
205.19708	3.0
207.13927	3.1
217.19485	6.3
227.17627	6.5
261.25723	3.8
263.13950	6.1
273.25723	10.7
279.26981	2.3
291.26816	23.9
309.11234	2.2
309.28021	5.4
339.15884	4.5
383.12204	2.7
447.11209	2.7
459.18240	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	3.4
55.05515	19.6
55.59779	1.3
57.03432	5.2
57.07067	3.8
59.05002	1.7
65.03950	2.3
67.05508	53.9
69.07079	15.7
71.04999	3.3
71.08656	1.8
79.05495	32.2
81.07063	42.1
83.04983	2.4
83.08626	7.9
85.06538	3.1
87.04474	2.7
91.05481	28.5
93.07050	31.6
95.04993	2.6
95.08614	32.3
95.09186	3.0
97.06536	3.9
97.10167	5.6
98.20776	5.5
99.08086	2.0
103.05451	1.9
105.07031	31.8
105.07701	2.5
107.08603	21.7
109.10159	28.4
117.07038	10.5
119.08584	36.6
121.10143	17.3
123.08088	2.2
123.11701	2.4
125.09691	1.4
129.07025	6.5
131.08583	23.2
133.10132	19.6
135.11682	10.3
137.09666	2.7
141.07005	3.2
142.07817	2.0
143.08569	9.6
145.10129	22.8
147.11699	16.6
149.09619	1.9
149.13237	4.8
155.08583	3.8
155.10696	1.5
157.10104	8.1
159.11707	14.4
161.13263	9.4
163.11229	1.5
163.14786	2.2
169.10143	5.1
171.11775	7.6
173.11766	6.2
173.13292	9.8
175.14803	3.9
181.10204	2.0
183.11790	4.3
185.13315	5.8
187.14894	6.6
197.13309	6.1
199.14908	6.0
201.16417	2.8
209.13232	1.9
211.14911	2.8
213.16626	2.0
215.17999	1.7
225.16502	2.5
229.20468	1.8
239.18092	1.6
241.19592	2.0
253.19670	3.1
261.22253	4.2
267.21045	1.8
271.20660	2.9
273.22134	1.5
285.22247	3.2
299.23651	2.8
303.23337	1.9
309.22101	1.7
313.25208	1.7
366.77042	1.6
369.31757	1.9
377.26871	2.8
379.30051	12.9
391.28781	2.3
397.31009	23.9
415.32211	6.5
433.33292	2.7
471.34616	16.0
489.35870	100.0
490.35907	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	490.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
58.99596	3.3
60.04514	3.3
68.88322	2.5
69.03430	6.7
69.07071	3.1
69.30086	2.8
70.02960	3.0
70.06599	16.4
70.06909	2.7
71.47832	4.8
72.08156	15.1
74.06067	4.1
83.04980	9.1
84.04503	9.2
84.08143	12.2
85.02888	9.3
86.09705	37.7
88.04005	28.7
91.05475	4.7
92.04992	2.8
93.07042	3.7
105.07032	22.1
107.04969	29.4
107.08598	11.5
110.06017	7.2
111.02691	3.4
117.07022	3.4
119.08588	11.9
120.01123	2.7
120.08139	7.6
121.10169	4.1
125.04198	5.2
126.05480	2.6
127.04017	2.6
129.10246	6.3
131.08415	2.5
133.06465	4.9
133.10139	5.5
136.07594	3.5
137.04224	26.5
139.05760	21.2
144.06541	7.7
144.09300	2.9
145.10068	5.6
147.07919	2.9
147.11687	18.4
159.11653	10.6
161.09366	5.1
161.13268	10.4
163.05858	3.3
167.05275	5.4
171.11386	3.0
177.05481	5.5
179.08913	7.5
181.10475	10.2
187.11148	8.0
189.12778	24.0
191.14340	9.3
193.10406	4.5
207.13878	3.1
210.71194	2.9
212.07358	9.0
221.09944	16.0
222.11255	3.0
223.11496	26.5
226.08939	8.9
252.10619	5.4
272.11298	12.0
274.02106	2.9
293.12073	6.3
307.46906	3.0
310.14728	100.0
490.21118	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	490.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93216	3.1
55.05509	8.4
55.13295	2.9
56.05031	3.3
69.03423	6.7
69.07088	3.3
69.83165	11.0
70.06599	19.5
72.08157	22.0
74.06097	3.3
79.05502	3.9
83.04998	4.9
84.04509	9.2
84.08141	13.4
85.02912	7.3
86.09711	41.0
88.03995	27.9
91.05509	5.6
92.04987	4.4
101.18597	3.5
105.07047	23.6
107.04956	31.1
107.08574	14.6
109.06462	3.9
110.06036	13.8
110.07222	4.5
119.08569	11.5
120.08109	11.1
121.10139	6.6
123.04465	3.2
125.04214	4.3
129.10239	9.6
133.06502	3.4
133.10106	4.3
136.07542	4.6
137.04213	30.1
138.05545	3.2
139.05771	18.6
145.10066	6.2
147.11685	18.4
152.07059	4.3
159.11642	7.3
161.09317	4.9
161.13211	14.7
167.07269	3.9
177.05443	5.9
179.08934	5.9
181.10481	13.6
187.11183	7.9
189.12775	28.7
191.14311	11.7
193.10509	4.5
201.12349	3.2
205.14607	5.1
209.06261	4.0
212.07338	8.6
221.09946	13.1
223.11525	30.7
226.08963	6.9
252.10468	7.4
272.11389	9.5
272.15985	4.3
293.11972	8.7
310.14740	100.0
328.15781	4.3
490.21725	7.0
490.28314	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	490.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.4
57.07068	2.6
58.20184	1.1
58.99594	8.9
68.05043	7.4
69.03424	1.8
69.07071	2.7
69.67506	5.1
69.67922	2.2
70.06593	2.4
70.24651	1.4
72.08148	2.9
73.01145	1.4
76.02264	1.2
81.07101	2.3
83.04990	24.5
84.08136	1.7
85.02878	2.0
86.09708	4.7
86.99054	2.7
88.03985	4.0
89.81810	1.2
91.05464	2.3
93.07063	6.3
95.08632	1.9
97.01112	3.2
100.02203	4.4
103.05476	2.2
105.00108	3.3
105.07042	8.5
107.04952	4.6
107.08605	5.2
109.06520	3.1
110.07148	1.8
119.08593	7.6
120.08112	3.4
121.06584	1.3
121.08902	3.7
121.10186	2.0
122.09672	4.4
123.08070	4.6
124.07585	2.0
124.11233	2.0
126.03731	15.8
132.08171	1.4
132.10226	1.6
133.06514	4.6
133.10138	1.8
135.02663	2.0
137.04213	100.0
139.02151	1.6
139.05736	3.1
145.10152	1.9
146.02750	16.0
147.11678	6.8
148.23160	1.2
150.09171	1.6
159.11438	4.1
161.09642	1.3
161.13275	5.1
163.05786	5.4
163.11246	1.4
165.03748	11.2
165.07338	2.7
165.12762	6.4
167.05267	1.9
170.08105	4.9
170.11009	1.9
172.04283	78.7
174.10435	1.4
179.08905	5.9
187.11070	3.1
189.12788	12.7
191.05260	1.8
193.06827	1.7
193.10541	1.6
206.15430	1.5
209.06287	10.8
211.04262	1.6
221.09990	6.8
223.11519	5.5
226.08926	3.1
228.10522	3.5
254.08424	6.5
264.14319	2.1
293.12076	5.8
310.14755	71.7
321.76849	1.5
328.11459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84386	0.5
53.03936	1.2
55.01867	2.4
55.05500	2.7
57.03427	3.5
59.06902	0.5
59.51365	0.5
60.18761	0.5
61.02916	1.0
65.03906	0.6
67.05503	1.6
68.60314	0.5
68.99782	1.0
69.03437	5.0
69.07060	1.5
69.85316	2.8
71.04979	1.2
73.02916	1.9
75.79931	0.5
79.05498	0.7
81.03427	5.4
81.07053	1.4
83.05027	0.7
85.02903	14.8
87.00826	6.3
93.07051	1.0
95.04968	2.5
95.08597	1.9
97.02892	7.6
97.06517	0.7
97.10157	4.3
99.04456	2.3
105.01876	4.2
105.06997	0.8
105.21094	0.6
107.04964	8.1
107.08617	1.5
107.35578	0.5
107.43796	0.6
109.02862	5.9
109.06503	1.6
109.10168	1.6
115.04025	0.7
117.01841	1.1
123.08070	100.0
124.08435	1.1
125.09610	4.3
127.03925	9.1
129.01826	0.8
135.08102	1.0
143.08595	0.6
145.04985	4.1
147.08051	1.0
147.11690	1.3
149.09610	2.1
151.07542	5.8
151.11205	2.3
159.02864	3.1
161.09706	0.8
161.13303	0.7
163.11290	0.7
165.12769	2.9
179.14154	0.6
189.12794	4.6
207.13802	53.0
208.14096	1.7
225.14833	5.3
231.04955	1.8
249.14832	2.3
287.05557	1.4
311.98151	0.6
320.05914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03738	0.1
53.03947	1.0
53.10165	0.1
55.01873	0.2
57.07069	0.2
68.32490	0.1
70.23174	0.4
70.23547	0.2
77.03931	0.3
79.05495	1.4
80.21152	0.1
81.03413	0.3
82.77991	0.1
85.02901	0.3
85.06551	0.4
92.09668	0.1
95.04968	1.0
97.02890	0.1
103.83702	0.1
105.04510	0.5
107.04955	100.0
108.05284	0.7
109.02888	0.2
119.08530	0.1
121.06514	0.4
123.08064	0.8
146.24261	0.1
159.10175	0.2
164.07042	0.2
199.98734	0.1
206.98598	0.1
207.13803	0.5
233.11656	0.1
242.09413	0.3
303.55585	0.1
350.53122	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01870	2.4
57.03431	1.4
61.02927	1.2
67.05506	1.4
67.48919	0.8
69.03434	12.3
69.46799	4.6
70.06600	5.0
71.04982	1.5
73.02905	1.9
79.05497	1.6
81.03418	9.0
81.07069	2.2
84.08125	1.4
85.02917	14.1
86.09698	3.3
87.00842	7.3
91.05479	11.8
91.06008	1.0
93.07033	1.3
95.04982	2.1
95.08607	4.1
97.02915	5.0
98.21598	1.0
99.04457	3.4
103.05547	1.0
105.01883	4.2
105.07030	10.7
107.04935	5.2
107.08599	2.1
107.29558	0.9
109.02871	7.5
109.06534	8.9
115.05434	1.0
116.06252	1.2
117.01905	1.9
117.07016	1.7
119.04959	3.0
119.08599	15.6
120.08058	1.3
123.08060	2.8
127.03932	11.7
129.01880	1.4
129.07014	3.8
131.04871	0.9
131.08571	30.4
131.09541	1.6
133.06500	2.8
133.10185	1.8
135.08058	16.4
137.05984	1.5
137.09578	1.2
143.08556	3.2
145.04988	3.3
145.10153	3.7
147.08051	32.2
147.11687	3.3
149.09622	4.9
150.10423	1.1
151.07547	49.8
156.09322	6.8
159.02869	4.3
159.08057	1.1
161.09557	1.6
161.13266	2.7
163.11201	2.6
165.12837	1.1
170.43219	0.9
171.11700	16.6
174.46700	0.9
175.07491	1.0
189.12752	100.0
190.13060	2.3
191.14316	24.8
207.13823	15.3
213.03938	1.1
225.14883	1.6
231.05093	1.7
248.08359	1.0
280.10440	0.9
324.13672	0.9
330.11728	0.9
443.12701	1.0
455.19055	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	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
53.88846	1.9
55.01876	4.8
55.05512	11.7
57.03429	3.0
57.07065	1.8
61.02935	2.5
67.05509	26.1
69.03422	6.8
69.07072	13.5
70.92616	3.5
71.04993	2.2
75.30177	2.0
79.05487	23.2
79.99409	1.7
81.03420	5.5
81.06593	4.3
81.07060	56.9
83.04977	3.4
83.08638	9.9
84.83643	1.9
85.02895	12.8
91.05495	19.8
93.07039	15.9
95.04971	11.9
95.08611	16.9
97.02893	6.2
97.06523	8.2
105.07042	23.0
107.04929	10.1
107.08596	9.2
109.06510	20.6
109.10144	9.8
111.08103	3.7
117.07029	7.0
118.81108	1.9
119.08572	20.5
121.06531	2.8
121.10149	8.6
123.08082	6.3
123.11746	3.9
125.09651	2.3
127.03937	3.6
129.06947	2.4
131.08589	9.3
131.94096	2.1
133.06531	2.6
133.10138	15.8
135.08073	4.5
135.11635	3.4
137.09584	3.2
145.04938	3.4
145.10152	10.2
147.07986	2.3
147.11682	17.2
149.09608	8.5
149.13246	4.5
157.10143	4.6
159.11690	7.3
161.09578	3.0
161.13257	3.1
163.11183	5.1
165.12791	6.0
180.08705	3.4
193.12256	4.4
193.56306	2.5
239.17949	2.4
257.16544	1.9
257.18881	10.1
275.20056	100.0
293.21118	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01861	6.0
55.05514	10.1
60.18987	1.7
67.05499	20.0
69.03429	5.1
69.07063	12.0
70.61618	2.9
70.61958	2.0
71.04989	2.5
79.05500	17.7
81.03427	8.4
81.06597	3.4
81.07058	59.8
83.04979	3.2
83.08624	8.1
85.02906	14.0
85.06530	2.5
91.05474	14.7
93.07050	16.1
95.04961	6.9
95.08617	18.2
97.02870	4.8
97.06541	5.6
99.08079	1.9
105.07039	17.6
107.04977	11.5
107.08588	12.3
109.02867	3.7
109.06516	16.7
109.10133	4.7
111.08091	2.9
117.07024	6.3
119.08577	20.1
121.06514	3.0
121.10130	9.8
123.08067	7.1
123.11690	5.5
125.09623	3.1
127.03912	7.0
129.06982	2.4
131.04863	1.8
131.08557	9.5
133.10106	16.2
135.08035	5.3
135.11697	6.5
137.09599	4.4
143.08540	2.9
145.04948	3.8
145.10126	7.5
147.08096	3.6
147.11682	16.8
149.09616	4.9
149.13254	4.0
150.22380	1.7
151.11258	2.7
157.10153	5.6
159.11722	5.9
161.13243	4.6
163.11147	4.9
165.09094	2.2
165.12766	4.5
173.13251	4.0
177.12733	3.7
180.08623	4.5
182.73906	1.6
195.13774	2.1
201.12857	1.7
201.16367	2.4
209.12123	1.8
223.13062	2.0
224.11913	1.6
229.19589	3.2
239.17976	3.8
247.20663	3.8
251.19719	1.8
257.19028	7.2
261.95074	1.9
275.20065	100.0
276.20367	2.2
293.17825	3.5
293.21118	68.4
294.27628	1.8
324.13031	2.5
419.24237	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	491.1185
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03954	2.9
57.03432	0.6
59.62834	0.5
61.02916	0.5
69.03428	8.3
70.79329	1.1
70.79670	0.7
73.02911	1.0
79.90649	0.5
80.78740	0.5
81.03416	12.1
85.02904	5.2
89.08035	0.5
93.63971	0.5
97.02892	4.3
99.04449	1.1
109.02876	8.1
111.00797	0.7
121.02869	3.1
124.29143	0.5
127.03915	5.8
137.02354	0.8
139.73914	0.5
145.04933	1.1
153.01816	3.9
157.53885	0.5
165.01833	1.8
165.12782	1.1
166.13048	1.2
167.21007	0.5
185.05980	0.8
187.06013	5.9
196.18764	0.6
197.05751	0.6
208.69116	0.5
213.05479	1.0
241.05000	1.0
258.05292	1.5
287.05505	100.0
288.05893	1.9
332.42093	0.6
460.23822	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	491.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01862	3.5
55.02092	0.8
57.03436	2.3
58.10643	0.8
61.02924	1.7
64.60411	0.8
68.99774	1.1
69.03437	7.7
70.31717	1.4
71.04990	1.3
73.02907	2.0
79.55196	0.9
81.03417	8.9
81.07055	1.5
85.02382	1.0
85.02908	18.3
87.00832	8.9
93.07071	0.8
97.02885	9.1
99.04434	3.4
105.01850	5.9
107.04961	2.4
109.02887	7.6
117.01855	0.9
127.03918	11.6
129.01785	1.1
131.04958	1.0
133.10089	0.9
137.05962	1.0
141.06979	2.1
145.04948	5.8
153.07027	2.3
153.44022	1.0
155.08551	2.3
159.02928	4.0
165.06990	7.2
167.08580	1.8
178.07849	1.1
179.08479	2.6
182.07217	2.1
183.08060	14.9
196.08894	1.0
197.09631	7.2
207.08069	2.0
210.06769	4.5
211.07550	33.8
212.08350	6.8
215.10596	1.5
215.24899	0.9
223.07504	1.4
224.08388	1.5
225.09128	7.9
226.09874	1.2
228.07788	6.6
235.07590	2.3
236.08339	3.8
237.09218	1.5
239.10696	2.6
241.08589	1.3
241.55528	1.0
242.09331	2.1
243.10175	100.0
244.10565	1.2
247.43495	1.1
249.09126	2.8
252.07886	1.6
255.10196	1.2
263.10699	1.7
266.09293	1.6
267.10175	26.0
277.08838	0.9
279.10168	2.1
281.11694	4.8
285.11237	1.9
287.05246	1.0
290.09500	1.1
291.10159	2.4
305.11606	2.1
309.11218	11.3
318.08914	1.0
323.12579	2.0
333.11200	9.3
351.12305	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	491.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01860	2.7
55.05504	1.7
57.03424	1.9
60.58489	0.9
61.02924	1.4
67.05492	2.3
68.99779	2.0
69.03435	10.8
69.07068	2.1
70.06558	1.7
71.04993	1.3
73.02890	1.5
79.05476	3.0
81.03418	8.7
81.07048	4.9
83.04951	1.2
83.08620	1.5
84.08117	1.2
85.02905	23.4
87.00818	9.3
91.05481	3.4
93.07024	2.6
95.04964	1.7
95.08600	2.9
97.02886	8.3
97.06541	2.0
98.21629	1.9
99.04444	4.0
105.01857	5.7
105.07021	2.6
105.95409	1.1
107.04970	9.1
107.08595	3.6
109.02888	8.1
109.10149	2.0
117.07016	1.3
119.04910	1.4
119.08575	2.0
121.10118	3.1
123.08048	1.2
126.51786	1.0
127.03918	13.4
129.01869	2.1
131.04913	3.8
133.06479	1.0
133.10106	2.7
137.05957	2.6
141.07007	2.1
145.03873	1.3
145.04947	4.5
145.10152	1.6
147.02792	1.2
149.09622	1.0
153.06978	2.1
155.08524	4.2
159.02904	6.0
159.11612	1.2
165.07025	6.3
167.07045	1.0
167.08539	2.1
179.08530	2.6
181.06496	1.8
182.07277	3.2
183.08061	15.4
191.08662	1.2
193.12079	1.4
195.07974	1.9
197.05966	1.2
197.09622	7.6
199.07516	1.3
207.08090	2.0
210.06725	4.1
211.07542	36.3
212.08328	6.0
213.03865	1.4
215.07010	1.5
215.10777	1.4
221.09706	1.2
225.09111	8.5
226.09802	1.7
228.07771	6.4
231.04892	1.4
235.07477	2.6
236.08319	1.5
239.10657	2.7
241.08417	1.1
243.10173	100.0
249.08919	2.3
253.08551	1.9
255.10100	1.9
263.10767	2.2
267.10168	28.9
270.36343	1.2
279.10202	1.9
281.11755	4.3
285.11108	2.0
287.05453	4.2
291.10059	1.7
305.11630	1.9
309.11234	12.5
323.12769	1.4
333.11304	8.1
351.12366	10.5
398.41470	1.2
491.17532	3.1
491.26291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01881	2.4
57.03428	1.6
61.02914	1.4
67.05526	1.5
68.99784	1.6
69.03439	8.0
69.84824	3.4
71.05003	1.2
73.02910	2.1
79.80582	0.8
81.03426	7.8
81.07053	1.6
85.02914	18.9
87.00842	8.2
94.58389	0.9
95.08649	0.9
97.02895	9.3
99.04465	3.1
105.01875	6.7
107.04939	2.6
109.02911	8.5
117.01875	1.0
127.03927	10.9
129.01857	1.0
131.04834	0.9
141.06993	2.5
145.04967	4.6
153.06995	2.2
155.08551	2.5
159.02835	4.2
165.07030	8.5
166.07713	1.2
167.08594	2.2
179.08560	1.7
181.06499	2.5
182.07303	2.0
183.08064	17.8
193.06468	2.1
197.05960	1.1
197.09608	6.5
201.90569	0.9
207.08067	2.8
208.08862	1.2
210.06784	4.5
211.07544	37.7
212.08345	7.5
215.10765	1.0
221.09549	1.5
224.08310	1.4
225.09102	9.6
228.07864	7.6
231.05032	2.7
235.07611	2.1
236.08267	2.0
237.09218	1.6
239.10692	2.6
241.08557	2.2
242.09340	1.3
243.10179	100.0
244.10590	2.0
249.09239	2.3
250.09830	1.2
252.07845	1.7
253.08723	1.5
255.10202	2.5
263.10733	1.2
266.09369	1.1
267.10178	28.0
268.10449	1.2
277.08530	1.4
279.10214	2.6
280.10883	1.1
281.11722	4.1
285.11194	1.9
291.10315	1.1
305.11691	2.1
308.10324	1.1
309.11221	14.7
333.11215	8.1
351.12268	9.7
387.01886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
52.57274	0.3
53.03945	0.9
53.66437	0.3
55.01869	0.8
55.05512	0.5
62.51696	0.3
62.62416	0.3
64.71291	0.3
65.03940	1.2
67.05500	1.2
68.05037	1.6
69.03413	0.8
69.07065	0.7
69.14909	3.1
70.06609	0.4
72.19837	0.3
79.05493	1.4
80.05017	0.4
81.03411	0.5
81.04532	0.7
81.07061	1.6
83.08615	0.5
85.02908	0.4
91.05486	1.1
92.05026	2.0
93.05791	17.5
93.07050	1.2
95.04966	0.9
95.06104	1.8
95.08596	1.6
96.04488	0.4
97.06542	0.9
103.05478	0.6
104.04993	0.4
105.07040	1.1
106.06554	0.4
107.04960	100.0
107.08601	1.3
108.04494	8.8
108.05265	0.9
109.02892	0.5
109.06494	0.6
109.10155	1.2
110.06070	0.5
119.08588	0.7
120.08102	0.6
121.06517	0.7
121.10184	0.5
122.07150	1.8
123.11729	0.5
124.03980	4.5
124.08677	0.8
125.07073	0.4
125.76263	0.3
127.03913	0.3
129.07056	0.4
131.04886	0.7
131.08583	0.6
133.10175	0.5
135.08003	0.3
135.11717	0.6
137.06020	0.8
145.10121	0.8
147.11656	0.4
149.02357	3.8
153.07011	0.5
157.10135	0.5
158.07219	0.4
159.08142	0.3
161.09589	0.4
170.09702	0.7
171.08072	0.6
171.11719	0.3
181.06398	0.4
193.04959	2.8
198.09102	3.7
198.10612	0.3
199.09940	5.7
200.10706	2.2
204.04395	10.3
206.59102	0.3
214.08664	3.2
215.12967	2.3
227.12802	0.5
230.08141	4.2
237.07637	1.4
265.08258	0.3
279.09055	1.8
281.10126	1.0
287.05554	1.1
304.13202	0.8
305.14127	4.6
306.14691	0.6
320.12842	1.3
336.12427	3.6
368.09384	2.9
385.09253	1.5
417.14752	0.4
427.21271	0.7
429.11847	0.9
433.07056	0.9
448.09616	0.9
463.11795	0.5
473.14368	0.6
491.11520	2.2
491.17514	34.1
492.17679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01860	0.5
55.05514	2.2
57.03425	0.8
57.07059	0.3
65.03928	1.0
67.05502	4.0
69.07069	2.2
69.40359	1.8
79.05486	2.2
81.03363	0.3
81.07055	4.3
83.08599	1.0
91.05481	8.8
93.07033	1.6
95.04974	0.3
95.08600	3.8
97.06520	0.4
97.10178	0.6
105.07076	1.3
107.04936	1.6
107.08588	1.4
109.06513	0.3
109.10162	1.4
111.08070	0.3
117.07011	0.6
119.04943	17.6
119.08559	1.2
121.06542	0.2
121.10155	0.9
123.08092	0.3
123.11682	0.3
129.06969	0.3
131.08630	0.3
133.10118	0.6
135.11708	0.8
137.06029	0.4
144.05664	0.3
145.06483	0.6
147.04410	100.0
147.11697	0.5
148.04726	0.6
161.13228	0.3
165.05513	1.8
171.08183	0.3
171.11710	0.3
173.05975	0.9
180.81868	0.2
183.08202	0.3
195.08025	0.3
207.08099	0.3
209.13281	0.3
211.07564	0.4
221.08005	0.5
223.07484	0.4
237.08994	0.3
237.12907	0.5
287.05499	0.4
327.25305	0.5
334.86441	0.3
431.25797	0.7
473.29044	2.6
491.29837	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	491.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02363	0.4
51.76817	0.2
53.03938	1.0
53.60560	0.2
55.05503	1.1
57.07059	0.4
57.85091	0.2
61.95334	0.2
65.03935	0.3
67.05508	3.0
68.08121	0.3
69.07079	1.4
71.24330	0.6
79.05495	2.6
81.03406	0.4
81.07049	2.9
83.08614	1.0
85.57134	0.2
91.05485	2.3
93.07055	1.5
95.04980	1.3
95.08610	2.3
97.10171	0.4
105.04495	0.7
105.07024	2.2
107.04958	100.0
107.08582	0.8
108.05292	0.9
109.10167	1.2
111.08040	0.3
115.05457	0.3
115.45399	0.2
117.07005	0.8
119.04931	1.6
119.08604	1.2
121.06503	3.1
121.10155	0.7
123.11730	0.4
129.06996	0.7
131.04924	0.4
131.07590	0.2
131.08580	0.8
132.05722	0.2
133.06497	10.0
133.10144	0.7
135.08089	0.9
135.11682	0.6
137.05992	0.7
141.06989	0.4
143.08569	0.5
144.05711	0.4
145.06502	5.2
145.10146	0.5
146.07304	0.3
147.08046	4.5
147.11679	0.5
149.09651	0.7
157.06494	3.8
157.10081	0.5
158.07346	0.4
159.08070	3.8
161.09618	3.8
165.07018	0.3
167.08546	0.4
169.06477	0.4
170.07344	0.3
171.08047	3.0
171.11653	0.3
171.53055	0.3
173.09647	3.2
175.11200	2.2
183.08055	1.1
185.09599	2.2
185.13303	0.3
187.11182	2.2
189.12781	0.9
195.08072	0.3
195.11653	0.2
197.09615	0.8
199.11224	1.8
201.12723	2.2
211.11198	0.5
213.09088	2.9
213.12700	1.2
214.13329	0.3
215.14297	2.3
223.07559	1.0
225.12744	0.8
227.14330	0.9
229.15891	0.6
237.09190	0.4
239.10645	0.5
239.14397	0.5
241.15810	0.6
249.09094	0.4
251.10672	0.6
253.87280	0.3
257.15500	0.4
271.17050	0.5
275.16446	0.4
283.16751	0.4
285.18680	0.4
289.18005	0.4
293.15359	0.5
295.16730	0.3
303.19693	0.3
307.16815	0.4
311.20056	0.5
315.19638	0.3
329.21213	0.6
351.26596	0.6
365.24722	1.6
367.26355	1.5
379.26187	1.4
383.25876	0.9
385.27426	2.7
397.27353	2.0
455.29593	0.4
473.30475	3.6
491.31067	4.9
491.37024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18386	6.3
55.05514	45.7
57.03444	9.5
57.07072	15.3
65.03893	6.5
67.05507	68.9
69.07066	65.2
70.66918	17.2
71.08630	11.5
73.12813	6.4
75.64448	5.9
79.05499	32.5
81.03391	5.9
81.07059	88.1
83.08620	50.5
85.02892	8.2
85.06528	6.1
87.59617	5.8
91.05479	15.3
93.07038	48.5
95.08611	73.1
97.06527	13.5
97.10162	26.5
105.07035	17.1
107.04975	14.0
107.08588	42.3
109.10150	26.6
111.08125	7.8
111.11711	6.5
117.07055	6.0
119.08582	10.1
121.10163	62.2
123.11701	22.7
135.11708	35.8
137.13239	14.9
147.04346	8.2
149.13258	18.3
159.11720	7.7
163.11154	7.1
163.14871	10.9
219.21075	58.1
226.80431	6.5
237.22127	84.8
255.23181	11.7
311.25854	100.0
329.27246	9.9
424.93973	6.8
491.29642	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	492.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.7
70.06593	0.5
70.16331	0.5
71.48331	0.5
71.70589	0.4
73.13683	0.5
79.05486	2.5
84.04520	0.6
84.08180	0.6
85.02903	1.0
97.02271	0.5
103.05462	1.5
105.07038	22.6
107.04967	3.7
115.05464	0.6
121.13125	0.5
131.04973	0.9
133.06499	100.0
134.06802	0.7
152.42677	0.5
161.12639	0.6
174.99231	0.5
223.75461	0.6
327.42984	0.6
338.10831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29970	2.8
55.05503	7.0
57.03441	5.1
57.07076	5.0
67.05522	3.3
69.03419	11.3
69.07061	7.7
70.82999	7.5
70.83373	6.1
71.04974	3.9
71.79970	3.0
72.08128	4.0
79.05492	5.1
81.03406	12.7
81.07050	13.4
83.08631	5.1
84.08143	4.0
85.02917	28.4
85.06535	10.1
86.06063	5.7
86.09661	4.2
87.00831	14.0
91.05486	5.4
93.07024	10.4
95.00041	3.3
95.04966	11.1
95.08582	6.8
97.02896	14.3
97.06531	25.3
99.04459	9.9
99.08109	4.2
105.01859	13.0
105.07024	15.3
107.04955	8.9
107.08630	16.4
109.02868	8.0
109.06522	45.4
109.10149	11.6
111.08076	3.8
115.07570	12.7
116.10695	4.5
119.08568	13.1
120.08110	6.6
121.10173	15.3
123.04427	88.0
123.08070	8.2
127.03945	21.2
131.08557	12.8
133.10130	57.2
135.08040	3.9
135.11731	3.2
137.05989	4.7
144.55498	3.3
145.04936	4.6
145.10127	4.0
147.11681	32.0
149.13274	3.8
153.09084	17.0
159.02928	4.9
163.14844	8.6
165.12706	8.0
173.13264	24.4
191.14301	48.9
198.11293	13.2
209.15370	100.0
216.12309	23.9
227.16408	78.9
231.05067	7.1
251.05733	5.8
266.08102	41.8
281.40131	4.0
290.66275	3.4
330.07898	12.6
452.24667	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29970	2.8
55.05503	7.0
57.03441	5.1
57.07076	5.0
67.05522	3.3
69.03419	11.3
69.07061	7.7
70.82999	7.5
70.83373	6.1
71.04974	3.9
71.79970	3.0
72.08128	4.0
79.05492	5.1
81.03406	12.7
81.07050	13.4
83.08631	5.1
84.08143	4.0
85.02917	28.4
85.06535	10.1
86.06063	5.7
86.09661	4.2
87.00831	14.0
91.05486	5.4
93.07024	10.4
95.00041	3.3
95.04966	11.1
95.08582	6.8
97.02896	14.3
97.06531	25.3
99.04459	9.9
99.08109	4.2
105.01859	13.0
105.07024	15.3
107.04955	8.9
107.08630	16.4
109.02868	8.0
109.06522	45.4
109.10149	11.6
111.08076	3.8
115.07570	12.7
116.10695	4.5
119.08568	13.1
120.08110	6.6
121.10173	15.3
123.04427	88.0
123.08070	8.2
127.03945	21.2
131.08557	12.8
133.10130	57.2
135.08040	3.9
135.11731	3.2
137.05989	4.7
144.55498	3.3
145.04936	4.6
145.10127	4.0
147.11681	32.0
149.13274	3.8
153.09084	17.0
159.02928	4.9
163.14844	8.6
165.12706	8.0
173.13264	24.4
191.14301	48.9
198.11293	13.2
209.15370	100.0
216.12309	23.9
227.16408	78.9
231.05067	7.1
251.05733	5.8
266.08102	41.8
281.40131	4.0
290.66275	3.4
330.07898	12.6
452.24667	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	20.6
69.21117	30.5
69.21553	28.9
70.06572	14.6
72.08149	19.6
79.05486	10.4
81.03399	14.4
84.08124	7.2
85.02893	39.1
86.09694	24.4
87.00817	12.3
91.05493	11.1
93.07014	9.0
95.04958	7.3
95.08570	6.7
95.44160	6.0
97.02911	17.1
105.01865	12.2
105.07007	23.8
107.04969	7.7
107.08604	69.3
109.02867	16.4
109.06509	13.6
120.80180	6.2
121.10159	8.8
122.35172	6.8
127.03891	20.2
131.08549	8.6
133.10132	100.0
145.04944	10.0
149.13251	8.0
153.01735	8.0
173.13240	27.5
191.14322	89.4
209.15359	10.5
287.05475	25.9
288.05948	38.6
402.02100	7.3
445.41290	7.6
490.42072	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24327	1.9
53.03936	3.5
55.01867	2.3
55.05506	7.1
55.25888	1.6
57.03436	10.4
59.04996	2.6
61.02937	2.9
61.04411	1.9
67.05502	4.9
69.03428	10.9
69.07066	7.5
70.06329	1.4
70.06601	15.9
71.05004	3.9
71.48352	2.5
72.08150	4.5
73.02928	2.1
76.53946	1.7
79.05497	3.1
81.03421	11.9
81.07060	9.2
82.07365	1.8
83.04978	5.7
83.08634	3.2
84.08143	15.4
85.02916	21.2
85.06538	4.1
86.09712	28.3
87.00833	9.6
91.05471	3.9
93.07046	6.0
95.05006	2.5
95.08605	8.0
97.02896	12.0
97.06531	4.3
97.10181	1.8
99.04468	5.6
99.08091	13.3
102.75114	1.9
105.01873	6.0
105.07027	5.2
107.04939	14.0
107.08593	8.1
109.02877	10.7
109.06493	3.8
109.10143	7.8
111.08096	2.5
116.07088	5.4
119.08586	2.7
120.08096	3.8
121.10139	5.5
123.08059	2.9
123.11716	6.2
125.06010	2.7
125.09608	9.1
127.03925	14.9
127.11174	2.5
129.10248	13.2
133.10146	7.3
135.08133	2.0
135.11710	3.4
137.06013	4.1
137.09607	3.1
145.04936	7.6
145.10101	2.4
149.09628	6.2
149.13257	3.7
151.11209	9.6
153.09106	2.4
159.01665	1.9
159.02904	5.5
163.14827	3.6
173.13257	4.5
191.14287	9.6
209.15370	75.5
210.15602	1.7
213.68681	1.8
227.16425	100.0
228.16818	2.5
235.52681	1.7
243.14165	2.4
287.05392	2.9
288.05878	5.7
301.00507	1.9
439.20160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05506	1.8
56.53087	0.6
57.03432	1.0
61.12144	0.6
65.96236	0.6
67.05513	3.7
68.99795	1.2
69.03424	2.1
69.07063	3.2
70.06596	0.9
71.05003	1.0
71.47389	0.8
71.47836	0.8
79.05510	3.3
80.92740	0.7
81.03415	3.4
81.07056	6.2
83.04980	1.8
83.08620	1.5
85.02894	1.1
85.06548	1.0
91.05487	4.2
93.07063	3.7
95.04971	2.1
95.08614	4.5
95.45165	0.7
97.02904	0.8
97.06493	1.0
97.10153	1.1
103.05486	0.9
105.07027	4.0
107.04949	5.8
107.08611	4.0
109.02910	1.6
109.06570	1.6
109.10155	2.5
117.07008	1.3
119.08570	2.0
120.08087	1.5
121.06499	1.5
121.10142	2.7
123.04491	0.9
123.11712	1.5
125.09684	0.7
127.03984	0.8
128.06291	0.9
129.07034	1.7
131.04922	2.0
131.08585	2.8
133.06488	1.0
133.10121	3.2
134.01424	0.6
135.08076	1.6
135.11710	1.5
137.05981	5.2
141.07025	0.8
143.08498	0.7
145.06409	0.7
145.10147	2.0
147.11685	1.4
149.09608	1.0
151.07588	1.6
153.07039	0.9
157.06508	0.8
157.10132	1.5
159.08005	0.7
159.11690	1.4
161.09711	0.7
161.13266	0.9
163.11157	1.2
165.07019	1.4
165.09113	0.9
167.07037	0.7
169.06558	0.8
171.08032	1.0
171.11700	0.9
173.09601	0.8
175.07684	0.7
183.04410	2.0
183.08070	1.0
183.11777	0.9
185.09749	0.8
187.11154	0.7
189.12759	0.8
191.03442	2.4
195.04427	1.5
195.07954	0.8
196.05217	7.0
197.05997	1.8
197.13298	0.9
198.06812	2.1
198.28996	0.6
199.14801	0.6
211.07558	11.1
212.04712	2.5
212.54617	0.8
223.03922	38.0
224.04694	14.4
224.60333	0.7
225.05530	3.8
226.06198	1.6
227.07085	2.2
239.07098	3.3
240.07848	6.0
253.08690	0.9
275.20035	1.0
293.09760	0.9
311.10773	1.0
321.09256	1.7
332.08148	1.0
333.09064	1.3
334.09845	1.0
337.08621	1.7
345.09271	1.4
348.07941	1.0
349.08673	3.5
356.86407	0.7
361.08395	1.2
362.09509	1.4
365.08105	3.2
373.08578	1.4
379.09842	3.7
389.08151	5.2
390.08881	5.9
393.07648	1.3
400.07120	1.5
401.07980	4.7
407.09192	3.1
417.07565	6.1
418.08383	3.5
419.09061	2.4
422.11557	0.8
429.07571	1.8
431.09125	0.9
432.10065	3.0
433.10876	2.3
435.08688	2.5
445.07068	2.5
446.07935	2.5
449.10294	1.2
450.11005	21.1
451.11401	1.1
460.09540	1.7
461.10022	1.6
462.10962	1.2
463.08221	2.4
465.13364	20.9
466.13510	0.8
467.64758	0.7
467.78632	0.7
475.11865	2.2
475.27405	0.9
475.34229	0.8
478.10483	17.1
493.12823	100.0
494.13202	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	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	3.6
53.03936	16.1
55.01874	17.0
55.05513	34.0
57.03439	56.1
59.04993	3.9
60.13096	3.3
61.02922	13.4
64.49216	3.5
65.03951	5.7
65.16391	3.6
67.05508	65.4
69.03433	43.4
69.07066	32.8
70.62954	5.1
70.63290	5.0
71.01347	9.4
71.04998	11.7
73.02924	10.8
79.05498	74.9
81.03426	37.6
81.07059	70.7
83.04962	19.0
83.08619	14.9
85.02917	36.5
85.06548	8.5
87.04443	4.8
91.05483	96.7
93.07049	68.5
95.04964	17.7
95.08616	53.6
97.02868	34.7
97.06540	11.6
97.10186	9.4
99.04467	12.5
101.05966	4.1
103.03940	11.2
103.05405	7.7
105.07037	75.7
107.04959	35.4
107.08611	38.9
109.02882	11.8
109.06511	16.0
109.10148	21.6
111.04428	9.3
111.08089	9.7
115.05473	10.0
117.07030	52.1
119.04974	6.7
119.08588	68.0
121.06522	13.1
121.10148	26.5
123.04444	4.0
123.08120	8.2
123.11709	6.6
125.02430	4.6
125.09665	4.8
127.03931	12.9
127.07595	3.9
128.06212	21.4
129.05498	6.5
129.07019	60.5
130.07770	5.8
131.04930	10.7
131.07108	4.7
131.08583	73.1
133.06544	10.9
133.10143	36.8
135.04471	5.3
135.08070	12.9
135.11697	19.4
137.05998	21.6
137.09625	8.1
139.07559	4.0
141.07004	27.3
142.07742	14.0
143.08563	45.4
145.06512	14.7
145.10123	76.2
147.04413	4.8
147.08063	12.5
147.11674	28.7
149.09579	5.6
149.13286	8.6
151.07542	7.3
151.11224	4.5
153.06995	3.3
154.07803	7.1
155.08577	32.3
156.09361	6.6
157.06470	10.3
157.10115	41.6
159.08069	20.3
159.11708	42.7
161.05971	4.5
161.09636	9.9
161.13252	14.9
163.07526	4.8
163.11192	11.0
165.07007	11.7
165.09084	5.7
166.07753	5.0
167.07199	6.0
167.08463	18.0
168.09216	4.7
169.06493	5.3
169.10117	31.6
171.06584	6.7
171.07925	16.8
171.11687	27.3
173.09634	14.0
173.13275	14.6
175.07491	5.2
175.11237	11.7
179.08548	9.3
181.10106	21.6
181.12122	3.2
183.08075	12.9
183.11703	26.7
185.09612	23.3
185.13277	20.7
187.11203	14.7
187.14871	7.3
189.09064	4.0
191.14359	4.6
193.10172	7.5
195.08115	5.7
195.11674	15.5
197.09648	13.6
197.13216	19.8
199.11215	11.8
199.14743	4.1
201.07524	4.3
201.12756	8.3
203.14247	5.5
207.11778	7.5
209.13335	8.9
211.11212	13.0
211.14870	11.2
213.12749	8.7
213.16428	4.7
215.10780	6.5
215.14456	7.3
217.12334	3.8
221.13312	8.6
223.14680	5.4
225.12794	5.4
227.14397	4.2
229.15976	3.8
235.11198	3.9
237.16409	4.2
239.10834	4.5
239.17987	11.7
241.19583	4.9
253.15930	4.5
255.17400	5.9
257.15524	6.6
257.19040	11.4
259.20706	4.2
269.18933	5.2
273.18579	7.1
275.20151	14.0
281.19058	6.9
285.18369	7.2
299.20087	9.6
309.18558	15.2
311.20245	7.6
313.21570	4.1
319.20755	3.9
323.19864	4.8
327.19641	11.6
329.21133	6.1
331.18805	10.8
331.22714	10.5
337.21533	5.2
341.20966	6.7
345.20670	5.2
349.23639	6.3
355.22479	5.3
359.22156	3.9
361.23853	4.2
365.21255	14.9
373.23813	10.2
383.22061	12.4
385.23990	5.4
389.23370	7.6
401.23215	33.6
403.24881	9.9
407.08917	6.5
415.24509	6.3
417.17136	3.8
419.24149	11.6
427.24734	9.7
433.26501	4.7
439.24768	15.1
445.25873	4.3
450.10873	13.4
457.25766	18.6
475.26981	37.7
493.12766	40.4
493.28119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57969	2.1
54.66845	1.8
54.75990	1.7
55.05518	21.2
55.48127	1.6
55.97548	1.8
56.90263	1.9
57.03430	7.9
57.07065	7.2
67.05505	28.0
69.03411	2.1
69.07073	28.0
71.05003	2.4
71.08632	6.2
71.49086	2.0
71.49487	3.4
79.05498	10.1
81.07066	29.0
83.04942	1.9
83.08614	19.2
85.06553	2.3
85.10161	1.8
88.43591	2.0
91.05471	4.4
93.07041	14.6
95.08615	26.8
97.06525	4.8
97.10174	14.0
98.98471	50.8
105.07045	4.0
107.04977	13.3
107.08572	9.7
109.10161	14.2
111.08069	2.7
111.11758	3.5
117.07030	4.3
119.08591	5.3
121.10156	13.4
123.11724	3.7
133.10088	1.9
133.74812	2.1
135.11685	7.8
137.00012	5.9
139.11136	2.2
143.08588	3.7
144.05699	4.6
145.06483	6.2
145.07542	2.0
145.10110	3.3
147.07954	2.5
149.13252	3.6
150.95929	2.1
153.06967	2.6
155.01059	48.0
155.08562	2.9
157.06401	2.5
157.10185	2.5
159.08174	2.3
165.06976	2.9
169.06555	3.8
171.08109	3.0
171.11855	2.1
173.05994	14.2
179.08650	3.3
183.08098	2.9
185.09691	2.5
195.08073	5.5
197.05989	3.4
199.07591	2.8
211.07585	3.7
213.09213	2.3
215.07036	3.7
221.09779	2.5
223.07701	3.0
223.56059	1.7
225.09135	2.7
225.12917	2.2
229.04713	3.0
247.24110	2.2
263.14340	2.2
265.25259	7.7
336.30841	2.1
339.28961	100.0
340.76312	1.8
351.71399	2.4
419.25848	2.1
432.64151	1.9
433.27475	9.3
475.28116	19.8
493.28888	9.5
493.36423	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16569	1.6
55.01862	4.4
55.05323	1.7
55.05517	17.2
57.03421	1.8
57.07069	1.8
65.03931	2.0
67.05179	2.5
67.05505	29.0
69.03418	6.3
69.07070	17.7
69.26555	16.4
72.79086	1.6
79.05497	16.2
81.03423	3.6
81.07064	29.8
83.04996	1.7
83.08612	5.0
84.92381	1.7
85.02893	3.3
91.05490	12.6
93.07048	18.1
95.04948	3.5
95.08609	24.1
97.02937	1.8
97.10164	3.9
105.07064	9.3
107.04956	19.6
107.08573	9.8
109.10165	9.3
111.04438	6.7
111.11658	2.5
115.05431	8.7
115.27055	1.5
117.07027	11.0
119.08584	8.0
121.10160	8.7
123.08050	1.8
123.11702	3.0
128.06203	6.2
129.07031	8.7
131.04944	12.7
131.08562	5.6
133.06531	2.4
133.10089	4.4
135.11697	5.7
141.07005	9.2
142.07797	2.0
143.05005	1.7
143.08528	9.1
144.05702	36.9
145.06499	29.1
145.10156	3.7
147.11717	4.1
149.09601	1.8
149.13258	2.4
152.06302	2.7
153.07005	6.2
155.08562	13.3
157.06483	15.8
157.10117	3.8
158.07266	3.8
159.08070	7.1
161.13226	2.7
165.07004	10.5
167.08585	12.5
168.05681	2.9
169.06503	17.3
169.10141	5.5
170.07240	2.4
171.04417	3.3
171.08069	15.9
173.05991	100.0
173.09561	2.8
173.13234	2.7
178.07796	4.5
179.08562	9.6
181.06470	18.7
181.10110	7.3
182.07268	9.0
183.08055	28.2
183.11632	2.9
184.08623	2.1
185.09576	8.4
187.07564	7.1
187.11229	1.9
187.14804	2.3
191.08617	3.4
193.06535	2.8
193.10094	4.8
194.07321	10.0
195.08066	28.1
195.11684	3.0
196.08879	5.6
197.05994	14.9
197.09627	11.4
198.06776	2.8
199.07538	18.1
199.11131	5.2
201.09091	3.4
205.10083	2.1
207.08014	14.7
207.11665	4.2
208.08894	3.9
209.09599	14.5
210.06766	4.6
210.10289	2.7
211.07568	28.9
211.11102	10.4
212.08354	4.6
213.09062	8.7
215.06984	8.4
215.10371	2.0
219.08023	6.3
219.11623	2.4
220.08971	2.3
221.09654	12.5
222.10350	2.9
223.07578	29.5
223.11076	9.6
224.08183	2.3
225.09085	13.1
225.12733	7.5
227.10655	8.3
231.07950	2.1
233.09637	4.8
235.07532	7.5
235.11211	9.1
237.09116	14.2
237.12724	6.1
238.09865	2.6
239.10701	11.3
239.14304	4.8
241.12289	5.3
247.07497	3.9
247.11198	3.8
249.09116	5.3
249.12811	4.3
249.19659	2.0
251.10709	9.3
251.14369	4.4
253.08684	2.5
253.12221	10.6
261.09122	2.7
261.12503	1.7
263.10764	4.0
263.14325	3.4
265.08615	4.2
265.12256	7.1
265.15857	2.2
267.10333	4.8
267.13797	8.6
269.04581	3.9
275.14264	1.7
277.12283	2.7
277.16064	2.2
279.13824	2.7
281.15393	3.7
283.13367	2.3
289.15790	2.5
291.13922	2.8
291.17316	2.1
293.15338	5.1
303.13943	1.8
307.16879	2.8
309.14740	3.3
309.18225	2.6
319.16809	2.1
323.16306	2.4
323.19946	2.2
323.91998	1.7
333.18716	2.0
335.16519	2.4
349.17813	3.3
351.19669	3.1
363.19476	3.7
365.17560	2.0
365.24817	1.8
377.20926	2.2
383.18427	2.4
389.24744	7.3
391.26645	2.5
403.26291	2.9
405.27957	5.4
407.25781	2.7
415.26257	9.8
421.27332	1.8
429.27829	5.9
433.27411	59.8
447.29083	14.1
457.27567	15.9
475.22263	2.5
475.28571	42.3
493.29562	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	493.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11769	3.3
53.03941	5.2
55.01870	6.6
55.05517	18.3
57.07063	5.9
64.46004	3.0
65.03941	3.3
67.05506	41.1
69.03437	5.0
69.07069	22.9
70.00993	10.7
71.04991	3.4
75.73548	3.1
79.05494	22.1
81.03424	4.1
81.07059	40.5
83.04969	7.1
83.08619	10.1
85.02929	4.1
91.05494	20.1
93.07036	27.7
95.04960	4.8
95.08618	43.9
97.10184	7.1
105.07016	11.5
107.04983	25.2
107.08595	17.2
109.06568	4.7
109.10149	17.4
111.04433	12.5
111.11723	4.0
115.05444	6.4
117.07024	7.3
119.08579	13.0
121.10156	13.7
123.08065	4.2
123.11700	5.3
128.06197	6.0
129.07019	11.8
131.04958	15.1
131.08617	6.3
133.06528	6.4
133.10129	9.9
135.11673	8.5
141.06969	9.6
142.07838	3.4
143.08549	10.6
144.05722	35.8
145.06476	30.1
145.10062	4.4
147.11713	10.3
149.02846	3.9
149.13292	4.6
153.06995	9.3
153.36113	3.2
155.08559	14.0
157.06508	19.0
157.10091	6.5
159.08090	4.8
165.06999	14.6
166.07813	6.2
167.08578	15.0
169.06487	27.3
169.10136	8.8
171.08110	21.2
171.11697	5.5
173.06000	100.0
173.09552	6.0
179.08580	9.6
181.06549	13.2
181.10121	5.8
182.07333	9.4
183.08066	28.5
185.09589	9.6
187.07530	13.5
193.06499	4.4
193.10129	4.0
194.07295	8.0
195.08070	30.4
195.11790	7.1
197.05934	17.6
197.09618	16.4
199.07628	15.8
199.11142	7.1
201.09132	3.7
207.08089	12.3
209.09669	19.1
209.13306	4.2
211.07559	27.7
211.11267	10.2
213.09096	11.2
213.12781	4.7
215.06984	12.4
221.09604	9.6
221.13271	3.5
223.07545	26.4
223.11214	11.0
224.08266	4.0
225.09134	14.0
225.12767	9.9
227.10696	8.7
233.09770	6.4
235.07564	7.9
235.11180	9.8
237.09096	10.9
237.12770	5.1
239.10660	9.4
239.14371	4.3
241.08705	4.8
241.12230	6.3
247.14899	5.7
249.08888	6.1
249.12790	6.9
251.10693	11.8
251.14355	5.0
253.08585	6.2
253.12303	5.7
263.10727	6.5
263.14297	6.0
265.08710	3.1
265.12234	7.3
267.13785	8.3
279.13876	9.4
281.15292	7.0
293.15332	5.4
307.16882	4.5
309.15036	3.9
337.17929	5.4
389.24826	5.6
405.28174	6.2
415.26233	8.5
421.27435	8.4
429.27856	7.8
433.27396	81.6
447.29129	14.9
457.27444	21.2
475.28360	58.6
475.34665	5.2
493.29364	87.4
493.36401	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	493.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.1
55.05520	23.8
57.07073	5.2
67.05508	44.4
69.03410	10.3
69.07082	19.8
69.14021	27.0
69.14442	11.7
73.86524	3.3
79.05501	25.1
79.24558	3.2
81.03423	7.1
81.07063	40.8
83.04965	7.8
83.08609	12.2
84.81782	3.7
91.05480	20.1
93.07053	24.6
95.04961	4.8
95.08608	39.2
97.02908	3.4
97.06553	4.9
97.10188	8.4
105.07021	15.4
107.04964	28.1
107.08591	19.1
109.06502	5.7
109.10168	21.4
111.04409	6.0
111.08101	4.9
115.05427	13.4
117.07020	10.4
119.08586	13.2
121.06480	5.2
121.10136	12.8
123.08091	3.8
123.11685	7.6
129.07014	8.7
131.04892	8.7
131.08553	11.0
133.06514	4.9
133.10146	12.6
135.11678	11.4
141.06992	15.3
143.08563	11.4
144.05713	34.4
145.06493	43.3
145.10207	9.3
147.08047	5.4
147.11691	8.5
149.13336	5.8
153.06953	10.1
155.06013	4.6
155.08565	13.9
157.06525	20.9
157.10147	10.5
159.08104	8.2
165.06956	15.3
166.07742	4.8
167.08534	14.7
169.06468	25.2
169.10112	7.2
171.04507	3.7
171.08092	21.1
173.05992	100.0
173.13213	4.2
178.07787	5.8
179.08571	13.7
181.06494	19.5
181.10104	8.0
182.07265	12.1
183.08051	32.2
185.09573	7.9
187.07555	13.4
193.06438	6.0
193.10220	7.2
194.07297	7.9
195.08040	30.0
195.11658	4.2
196.08815	4.2
197.05991	19.4
197.09666	24.6
198.06725	7.2
199.07550	23.2
199.11261	8.1
206.07257	4.4
207.07980	14.8
208.08852	4.8
209.09622	16.8
210.06926	4.8
211.07533	32.9
211.11162	9.3
213.09079	11.4
213.12802	4.8
215.07045	12.7
218.25032	3.7
219.07945	5.8
221.09631	15.6
223.07547	36.9
223.11005	18.4
223.14610	4.4
225.09073	18.4
225.12775	9.9
233.09436	4.0
234.10320	5.6
235.07539	8.1
235.11197	12.0
237.09180	17.1
239.10617	11.3
239.14288	5.4
241.12025	4.8
249.09111	6.4
249.12762	12.5
251.10654	15.2
251.14102	6.0
253.12234	10.6
265.12360	5.0
267.13794	9.9
269.11798	4.7
281.15460	6.5
291.13910	6.2
291.17447	4.7
295.13873	3.9
307.16855	4.4
323.16193	5.3
335.16464	5.4
389.24649	4.1
405.28125	4.3
415.26483	4.0
421.27261	4.9
429.28140	4.8
433.27368	84.5
447.28928	16.4
457.27127	21.5
475.28491	61.8
493.29306	88.8
494.29715	4.5
508.02612	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.1
55.05517	26.8
57.03444	4.2
57.07066	5.1
63.95706	2.2
67.05505	48.4
69.03407	8.0
69.07065	20.4
69.71298	15.1
71.04993	3.7
79.05489	20.5
81.03437	5.4
81.07053	52.7
83.04980	3.1
83.08624	15.1
86.23937	2.4
91.05461	20.0
93.07034	28.9
95.04942	5.8
95.08601	50.4
97.02898	3.8
97.06514	5.1
98.98448	8.4
105.07046	13.7
107.04951	23.5
107.08579	15.8
109.02874	2.9
109.10162	19.9
111.04448	11.0
111.08073	3.7
112.13225	2.5
113.09665	2.6
115.05453	9.9
117.07032	13.5
119.08559	8.9
121.10148	15.0
128.06236	6.8
129.06987	6.5
131.04955	13.0
131.08548	9.7
133.10155	7.1
135.08090	4.5
135.11676	8.3
141.06958	12.3
142.07774	3.0
143.08556	9.0
144.05708	32.9
145.06494	33.0
145.10136	5.8
147.11754	5.6
149.09712	2.9
149.13277	6.1
153.06966	5.5
155.01126	5.3
155.08516	11.3
157.06503	22.2
157.10173	4.9
159.08014	6.2
159.11751	5.6
161.13322	2.9
165.06978	12.0
167.08575	12.1
169.06532	21.1
169.10109	6.3
170.07214	3.7
171.04384	3.5
171.08049	17.5
173.05984	100.0
173.09473	4.2
178.01563	3.1
178.07747	5.7
179.08551	11.1
181.06488	18.0
181.10101	8.7
182.07259	10.9
183.08011	27.5
185.09564	10.2
187.07558	12.1
191.08482	4.4
193.06421	3.2
193.10059	7.3
194.07228	7.1
195.08051	32.1
196.08858	3.8
197.06052	18.4
197.07617	3.2
197.09587	18.3
197.13158	3.6
198.06752	5.2
199.07559	21.6
199.11197	7.5
205.10089	2.9
207.08028	10.3
208.08806	4.5
209.09593	13.4
210.06779	7.2
211.07539	32.9
211.11148	12.5
212.08264	4.6
213.09067	9.1
213.12743	4.8
215.07054	15.9
215.12682	4.7
219.08003	7.8
220.08862	3.6
221.09668	13.2
221.13364	2.9
223.07552	32.6
223.11128	12.0
225.09164	19.3
225.12637	7.7
226.09914	2.7
227.10634	10.5
233.09673	3.2
235.07588	6.5
235.11197	7.8
237.09097	11.7
237.12685	7.0
239.10654	9.3
239.14369	3.4
241.08582	4.3
241.12164	8.7
247.11105	4.0
249.09126	7.5
249.12643	5.7
251.10797	13.3
251.14307	8.6
253.08447	5.2
253.12204	9.9
261.22147	2.9
263.10583	6.0
263.14279	5.5
265.08649	4.1
265.12296	8.9
265.15652	3.5
267.13788	9.2
277.12033	4.5
277.15884	3.5
281.15399	6.2
289.16025	3.3
291.13828	6.6
291.16974	3.3
293.15265	7.0
295.16956	5.4
305.15350	3.2
307.16873	6.2
311.87225	2.7
323.16257	3.5
335.16492	5.5
335.20032	3.9
335.25589	4.0
337.18011	4.3
339.28836	14.6
349.18021	3.5
363.19455	5.6
377.20956	3.5
389.24588	7.5
391.26334	6.3
405.27960	7.3
415.26276	8.8
421.27570	4.0
429.28085	3.3
431.25940	4.3
433.27359	85.0
434.27646	2.9
447.28848	14.7
457.27167	24.2
475.28458	59.2
475.34201	2.8
484.07471	3.0
493.29428	67.4
493.36273	6.9
494.29834	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	493.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	1.3
55.05517	8.2
57.03446	3.1
57.07072	1.4
62.49779	0.5
62.71567	0.5
65.03919	0.7
67.05507	14.8
69.07072	9.0
70.06616	0.9
70.14189	2.5
77.42914	0.6
79.05494	8.0
81.03412	0.9
81.07053	19.5
83.05000	1.1
83.08627	5.5
85.06514	1.4
91.05486	5.5
93.07048	9.0
95.04972	1.8
95.08607	14.9
97.06540	2.1
97.10175	2.2
99.08099	1.0
103.05453	0.7
103.71175	0.5
105.07020	4.8
107.04958	100.0
107.08598	5.0
108.05305	0.7
109.06506	1.6
109.10144	6.9
111.08117	1.3
111.11717	0.7
111.84151	0.6
113.09605	0.7
117.07025	0.6
119.08588	3.7
121.06503	4.3
121.10142	8.8
123.08041	1.0
123.11710	2.8
125.09594	0.8
131.08600	1.3
133.06522	0.7
133.10129	3.7
135.11714	7.6
137.09634	1.1
137.13269	1.2
139.11145	0.9
143.08604	0.7
145.10121	1.2
147.04417	0.6
147.11714	2.9
147.12753	0.7
149.05978	6.4
149.13298	1.7
151.11189	0.6
151.14847	1.1
159.11702	0.7
161.13274	2.7
165.12781	0.9
168.26224	0.6
175.14827	1.0
187.07637	0.6
217.19484	6.1
223.09711	2.5
235.20578	6.8
240.21179	0.6
253.21698	5.1
309.24203	1.5
347.10715	0.6
383.25946	1.6
401.26956	5.8
418.07657	0.7
421.01019	0.6
450.10120	0.6
475.30521	7.7
478.10315	0.7
479.11206	1.3
493.12567	2.0
493.17712	1.0
493.31778	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	493.3294
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
50.85873	0.4
53.03956	0.5
55.05507	2.4
55.87588	0.4
57.03439	0.8
57.07075	0.9
58.99807	0.4
66.24741	0.4
67.05511	3.2
69.07078	2.8
71.49078	0.6
74.58563	0.4
79.05490	1.6
81.07065	2.8
83.08616	2.2
86.98216	0.4
91.05473	0.8
93.07055	1.8
95.08607	3.3
97.10161	1.6
98.98466	5.1
105.07030	1.3
105.19894	0.4
107.08603	1.3
109.10159	1.2
111.08094	0.7
119.08559	0.7
121.10164	1.5
123.11704	0.5
132.77126	0.4
133.10143	0.9
135.11671	1.0
147.11664	0.8
151.27879	0.4
155.01064	4.3
169.95448	0.5
265.25391	0.7
339.28967	8.3
475.28302	1.2
493.32898	100.0
494.33081	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66364	5.3
55.05508	11.9
57.07080	66.8
67.05490	19.8
69.07063	15.3
71.08634	40.6
71.48615	8.2
79.05492	11.5
81.07072	29.7
83.08609	14.9
85.10169	17.1
91.05472	8.1
93.07008	11.3
93.49210	5.5
95.08616	42.6
97.10167	8.2
105.07029	10.3
107.08619	5.1
108.72950	4.8
109.10149	18.6
110.83775	5.3
119.08640	4.8
173.05981	14.0
177.60107	5.9
193.80858	4.9
197.92982	6.8
223.07620	6.1
225.08936	5.5
239.23636	41.5
240.62659	4.6
253.31345	6.1
255.10144	11.3
313.27362	100.0
347.17096	10.4
397.33676	5.5
433.14551	9.0
433.27606	12.3
435.12009	6.7
450.14435	6.4
461.13672	6.4
462.14572	6.8
493.16595	35.2
493.29266	7.7
494.17010	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.6
57.07077	58.7
67.02206	4.0
67.05511	36.3
68.04340	4.6
69.06698	4.7
69.07069	79.8
71.08640	38.2
71.49088	8.4
79.05498	31.2
81.07065	98.0
83.04984	11.2
83.08623	54.5
85.06557	5.6
85.10188	16.9
91.05490	29.7
93.03406	8.6
93.07049	100.0
95.04955	5.1
95.08617	77.9
97.06538	6.2
97.10162	37.9
99.08114	12.6
101.83971	4.3
105.07041	16.6
107.04917	5.8
107.08607	81.5
109.06526	11.7
109.10153	41.8
111.08049	8.8
111.11708	15.2
115.07543	6.1
119.08595	17.6
121.06556	11.8
121.10152	40.6
123.08124	5.5
123.11710	16.2
125.09600	5.7
127.07571	21.1
131.08533	7.1
133.10136	13.9
135.11703	39.5
137.13261	11.7
139.07498	6.9
143.07037	17.2
145.10091	6.4
147.11711	12.1
149.09616	6.4
149.13277	47.7
151.14944	6.3
153.09102	12.2
159.11844	11.9
161.13280	8.4
163.14841	37.7
165.16389	11.0
167.10767	4.7
173.13292	6.4
175.14885	11.3
177.12732	6.5
177.16397	20.9
179.18033	5.9
187.14825	5.7
189.16440	7.2
191.14247	6.5
191.17953	9.7
203.17964	7.8
205.19551	8.3
209.15448	4.2
209.18906	4.6
233.22646	6.9
289.28973	68.2
299.27292	9.5
307.29990	59.0
317.28354	42.2
330.49329	5.1
349.31058	29.5
378.07922	5.8
420.24182	5.0
493.29623	26.1
493.38242	10.2
493.44720	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	493.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.2
57.07058	26.7
65.90300	7.5
67.05507	88.2
69.07074	41.3
71.08631	10.9
71.49264	7.3
79.05495	38.9
81.07066	100.0
83.08607	23.7
85.06559	9.8
86.09741	7.1
91.05473	24.5
93.07034	55.1
95.08624	88.0
97.10159	9.1
105.07019	46.3
107.08596	69.6
109.06531	10.5
109.10164	65.2
117.07062	11.5
119.08612	45.8
121.10155	52.3
123.11677	26.5
131.08600	14.5
133.10129	39.6
135.08063	19.0
135.11700	44.9
143.08521	19.9
145.10086	20.6
147.11673	25.0
149.13269	35.4
157.10152	15.1
159.11714	31.6
161.13287	19.1
163.14755	13.5
173.13257	26.2
175.14830	18.8
185.13307	8.4
187.14880	11.8
191.14366	8.0
191.17863	8.6
203.17946	11.9
211.18642	8.0
213.16335	13.5
215.17877	7.9
217.19455	16.5
220.83826	8.9
227.12697	8.3
402.43628	7.7
475.39001	20.3
493.30005	21.0
493.39633	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12856	2.6
50.35178	3.0
52.46099	2.9
55.05509	8.2
59.37148	2.7
62.45084	2.7
66.12218	2.8
67.05510	6.9
69.03445	5.8
69.07062	12.7
70.06583	4.6
71.04980	7.6
81.03407	7.1
81.07049	10.7
83.08608	5.9
85.02917	16.8
86.09663	2.6
87.00822	7.5
91.05479	6.3
93.07028	9.3
95.08601	22.6
97.02878	9.5
97.06537	8.0
99.04444	5.9
105.01878	6.5
105.07032	7.5
107.04955	20.8
107.08584	15.4
109.02847	3.3
109.06512	10.0
109.10168	20.6
115.07544	4.4
119.08560	13.2
121.10149	5.6
123.08030	4.4
123.11696	10.7
127.03892	7.6
127.11213	3.8
133.10147	33.6
135.11697	26.5
137.09599	4.2
145.05031	3.4
149.13258	9.6
153.12712	5.2
175.14819	52.3
177.16431	4.1
193.15897	67.1
211.16940	100.0
230.61917	3.8
241.09764	3.8
283.10556	4.4
292.10080	4.0
297.16940	4.1
329.11160	9.6
357.10675	6.0
389.13293	13.1
480.37003	3.0
495.17645	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	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
53.17542	1.0
55.05508	1.8
67.05510	2.0
69.03426	2.3
69.07063	2.6
69.93752	4.6
70.06591	4.9
79.05486	2.5
81.03419	1.9
81.07057	3.7
85.02889	3.3
85.06508	1.5
86.09743	1.4
87.00816	1.7
91.05483	1.6
93.07053	2.1
94.85415	0.9
95.08586	4.2
97.02887	1.4
97.06554	2.2
99.04473	1.6
105.01919	1.1
105.07030	1.3
106.06562	100.0
107.04930	4.4
107.08581	3.9
109.02881	1.1
109.06524	1.7
109.10136	3.8
115.07574	2.1
118.06574	1.2
119.08575	4.4
121.10167	2.0
123.04431	7.4
123.08083	1.2
123.11702	1.9
127.03866	2.1
133.10110	5.1
135.11711	5.5
137.05991	1.2
137.09598	1.7
144.80095	0.9
145.04994	1.3
149.13213	1.5
175.14845	7.3
193.15880	10.2
198.69794	0.9
202.89934	1.0
211.16913	13.3
217.16541	0.8
228.10202	1.4
235.27362	0.9
357.10559	1.6
372.12704	2.1
442.84052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
64.47874	0.9
67.05511	4.2
69.03434	1.9
69.07083	1.9
71.05019	1.2
71.14606	0.9
71.48830	1.1
78.51879	1.0
79.05513	3.5
81.03419	2.1
81.07065	5.7
83.08633	1.3
85.02932	1.9
91.05499	5.8
93.07074	4.1
95.04961	1.3
95.08607	3.1
96.90851	1.1
97.06568	1.0
97.10198	1.0
97.91531	1.0
105.07047	4.2
107.04984	2.3
107.08627	3.9
109.06512	1.1
109.10225	1.2
117.07027	1.7
119.08600	2.5
121.10185	2.9
127.03940	1.0
128.06265	1.5
129.07040	1.5
131.08646	2.6
133.06523	1.4
133.10173	2.8
135.08101	1.8
135.11653	1.6
141.07027	2.4
141.30905	1.0
141.73849	1.1
143.08603	2.6
145.06557	1.7
145.10164	1.8
147.08229	1.1
147.11743	1.7
153.07068	2.8
155.08604	1.9
157.06514	5.5
157.10199	2.0
159.11740	1.1
165.07083	4.5
166.07695	1.4
167.08551	5.0
169.06448	4.7
170.07312	2.9
171.04460	2.9
171.08119	3.0
171.11740	1.4
177.07007	2.0
179.08583	2.3
181.06445	10.2
182.07335	4.3
183.08188	3.6
194.07320	1.4
195.08073	13.0
196.05336	3.2
196.08914	2.8
197.05975	8.8
197.09727	2.1
198.06734	5.2
199.07605	1.8
199.11137	1.6
201.09419	1.3
205.06506	1.8
207.08102	1.7
209.06035	2.2
209.09576	1.6
210.06772	28.5
211.07530	9.6
212.08292	7.1
213.09242	4.4
214.06300	1.1
221.06071	1.4
222.06784	1.4
223.07594	7.3
224.04832	1.2
224.08351	5.0
225.05560	3.9
225.09097	20.8
226.06372	4.0
226.09917	2.0
227.07086	3.9
227.10797	2.9
229.08594	6.8
234.73236	1.1
237.09145	2.3
238.06357	2.4
239.06989	7.6
240.07819	11.1
241.08606	21.9
241.11121	1.6
242.09384	2.6
249.09290	1.2
253.08615	51.9
254.09459	3.3
255.06425	1.8
255.10153	42.3
255.12727	2.1
256.11014	1.7
263.07336	1.1
265.08783	1.2
279.10367	1.4
319.06201	1.1
319.11432	1.1
331.11264	1.5
347.10977	1.2
359.10580	1.1
360.11444	2.1
361.12402	1.4
371.11002	1.3
373.12381	2.5
377.11621	1.3
387.10107	1.6
389.11877	2.2
391.13434	1.4
400.10815	1.2
402.12668	1.3
403.13254	4.7
404.14316	4.5
405.11230	2.3
406.11737	1.5
417.10983	2.0
419.12994	4.0
420.13837	4.3
431.12918	3.7
432.13690	4.6
433.14594	4.5
434.15268	1.4
435.11121	1.3
435.16779	6.1
445.14545	1.4
448.13062	5.7
449.14197	2.5
462.14963	2.3
463.15738	20.0
464.16562	11.3
467.14902	1.3
477.17331	4.0
477.29163	2.0
478.17828	3.0
480.15527	6.7
494.40454	1.6
495.18259	100.0
496.18619	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	495.1835
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.08560	0.5
56.57591	0.7
69.03420	0.7
69.18702	4.5
69.19130	1.6
72.96532	0.6
74.63902	0.5
79.94534	0.6
85.02866	1.0
90.00282	0.7
95.08540	0.7
107.01064	0.6
107.04938	2.8
127.27805	0.7
137.06010	0.6
163.54224	0.7
177.10034	0.6
184.75423	0.7
193.11159	0.6
195.43463	0.7
229.11975	1.2
247.13080	8.9
275.12558	5.7
288.05838	1.4
289.06110	2.6
290.06335	1.1
291.06650	1.3
356.48557	0.7
391.17380	3.0
409.18326	18.1
410.18991	0.7
432.45419	0.6
451.19391	50.0
452.19528	2.2
495.18393	100.0
496.18680	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13220	0.4
57.89934	0.4
69.03439	0.7
70.06591	0.9
70.76616	1.2
81.03395	0.6
85.02915	0.7
94.08586	0.4
98.74924	0.4
104.94064	0.4
107.01093	0.7
107.04961	2.7
137.05995	0.8
193.15906	0.4
203.10461	0.6
215.10475	0.6
229.12010	1.0
247.13080	8.1
275.12534	6.6
287.05289	0.6
288.05984	0.8
289.06024	2.0
290.06393	1.3
291.06689	1.2
391.17355	3.3
409.18320	17.0
410.18225	0.6
451.19415	48.9
452.19693	0.9
495.18390	100.0
496.18665	3.0
513.39911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2437
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
53.03946	2.8
55.01873	4.4
55.05513	3.5
57.03435	7.4
57.07082	12.1
59.04998	4.7
61.02929	9.8
65.03953	1.5
67.05497	9.6
67.46741	1.2
69.03432	30.3
69.07079	7.9
70.06593	12.1
71.04986	5.1
71.37910	2.5
72.08157	2.1
73.02917	6.9
79.05467	1.6
81.03416	13.0
81.07049	4.2
83.08615	4.3
84.04484	1.3
84.08124	3.1
85.02908	100.0
85.06542	6.7
85.10236	1.8
86.09711	10.9
87.04455	4.1
91.03945	3.5
91.05479	1.8
93.07043	3.7
95.04968	5.7
95.08612	53.1
97.02298	2.3
97.02895	31.9
97.06532	4.3
98.97527	1.3
99.04495	7.0
99.08094	7.2
100.77428	1.3
107.04964	6.2
107.08583	4.9
109.02885	11.5
109.06521	13.8
109.10165	11.8
111.08082	3.3
113.09646	54.2
114.75676	1.4
115.03906	3.7
120.08105	3.3
121.06563	1.8
121.08389	1.3
123.04408	2.4
127.03919	24.7
127.11197	17.1
129.10306	1.4
133.04976	4.9
135.11736	7.5
136.07539	2.2
137.09631	1.7
137.13234	3.8
145.04965	27.8
145.06033	2.5
151.03986	1.3
153.12747	48.1
155.14302	11.2
163.05989	4.0
171.13806	37.9
177.12798	3.4
179.05540	6.4
195.13817	3.3
209.09331	1.5
213.14813	9.2
227.10201	2.1
229.15471	3.4
233.05835	1.3
237.14897	1.8
249.14896	2.0
256.70520	1.2
267.15991	2.2
279.15891	2.3
297.16864	3.7
333.18900	1.6
495.23602	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01849	10.8
55.05520	36.3
55.42061	3.3
57.03442	39.4
59.04990	3.4
61.02932	51.7
61.75034	3.6
63.75560	3.4
65.03931	6.1
65.22694	3.3
66.65189	3.6
67.05507	72.9
69.03434	42.5
69.07077	27.4
71.01350	7.1
71.04981	7.9
72.39600	3.3
73.02929	32.4
79.05074	6.3
79.05499	84.6
80.14187	4.0
81.03422	27.4
81.07069	78.4
83.04982	12.6
83.08623	15.7
85.02438	4.8
85.02915	52.1
87.54943	3.4
91.03959	21.5
91.05489	88.7
93.06496	6.4
93.07053	100.0
94.23087	3.4
95.04964	15.5
95.08613	69.7
97.02895	39.5
97.06522	9.6
97.10186	7.2
99.04440	11.1
101.02376	7.6
103.03952	9.4
103.05464	5.7
105.03361	4.4
105.07045	94.2
107.04962	19.8
107.08608	48.9
108.28950	3.7
109.02882	6.1
109.04142	4.0
109.06503	14.4
109.10154	23.9
111.04443	3.8
111.08119	4.8
115.05485	10.6
117.07029	41.5
119.08595	71.2
121.06514	15.9
121.10163	39.7
123.08078	5.5
123.11681	3.9
125.09629	6.3
127.03886	10.7
128.06235	16.5
129.05496	7.8
129.07021	35.6
131.04953	4.2
131.08583	70.0
133.06496	5.7
133.10153	47.3
135.08089	6.3
135.11697	26.2
137.05908	3.3
137.09604	7.4
139.07559	5.4
141.07008	11.5
142.07779	7.9
142.45009	3.3
143.08569	42.7
145.04951	7.3
145.06505	11.5
145.10129	60.8
147.08060	13.6
147.11707	29.6
149.09608	6.3
149.13237	17.6
152.06229	3.6
153.07030	6.0
155.08556	18.1
157.06496	8.0
157.10120	32.1
159.08067	13.3
159.11717	38.5
161.09679	9.2
161.13260	20.5
163.11201	6.5
163.14873	5.3
165.07085	7.0
167.07193	5.0
167.08585	16.3
169.10118	17.0
171.08087	8.5
171.11703	34.8
173.09605	9.9
173.13298	21.1
174.06688	3.9
175.11197	8.3
175.14853	11.5
177.09113	4.2
179.08536	4.3
180.09369	5.1
181.06476	9.9
181.10123	11.2
182.07373	4.3
183.11670	11.5
185.09653	9.5
185.13283	21.4
187.11194	9.0
187.14850	10.1
189.12804	8.5
194.07346	4.5
195.08061	11.6
195.11714	10.6
195.13734	3.5
196.05202	4.7
197.06042	7.8
197.09608	8.3
197.13263	10.1
198.06857	8.2
199.07524	7.3
199.14905	6.0
201.12770	9.6
201.16377	4.6
205.47789	3.6
209.09595	6.9
209.13307	4.7
211.07498	6.9
211.11203	5.5
211.14870	9.5
213.09138	4.0
213.16418	6.7
215.14384	5.9
223.14842	4.5
225.09222	4.5
227.07007	4.1
227.10664	10.8
231.21149	5.6
237.16389	4.4
239.07123	11.5
240.07799	4.5
241.08635	35.0
241.19568	14.4
242.09344	9.9
246.71007	3.6
253.08636	57.9
254.09381	9.3
255.10178	17.3
257.19006	7.3
259.20609	28.3
269.18912	5.0
271.20654	9.0
272.09586	3.8
285.22018	4.6
287.19983	4.3
295.20636	6.0
297.21991	6.5
299.20059	4.9
301.21643	14.9
313.21457	8.5
315.23233	5.6
325.21552	8.4
333.20355	16.7
333.24283	48.3
337.21234	4.3
339.23523	5.7
343.22720	7.4
345.24249	9.1
349.21463	12.0
351.25317	4.5
355.22552	5.0
357.24179	6.9
361.23721	8.5
363.25174	5.0
367.22824	22.6
375.25369	18.3
385.23953	19.0
387.25113	10.5
403.24747	13.6
417.26370	9.7
423.25262	8.0
429.26163	14.3
441.26492	48.6
459.27338	30.1
477.28595	34.0
480.15027	5.4
495.18903	43.9
495.30060	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.6
55.01868	12.5
55.05509	35.8
57.03442	44.1
57.07103	7.0
61.02921	14.6
61.35519	3.4
65.03950	7.8
65.85685	2.9
67.05508	89.6
69.03433	47.0
69.07068	29.5
70.53973	7.6
70.54312	4.4
71.01358	7.8
71.04996	11.6
73.02913	13.6
79.05496	94.3
81.03415	42.5
81.07061	100.0
82.70420	3.0
83.04984	20.2
83.08621	16.2
85.02899	37.7
85.06551	10.2
91.03989	5.6
91.05479	77.4
93.07046	98.7
95.04971	22.4
95.08615	74.8
97.02899	37.0
97.06525	20.8
97.10157	7.5
99.04450	10.4
101.02393	7.2
103.03929	10.9
103.05446	4.4
105.07034	83.5
107.04964	18.6
107.08601	58.7
109.02891	14.3
109.06529	11.3
109.10161	29.4
111.04450	8.8
111.08070	6.8
115.05451	4.4
117.07047	32.8
119.04951	4.4
119.08583	66.5
121.06486	9.1
121.10146	40.4
123.04443	4.9
123.08063	10.8
123.11742	5.5
125.05983	4.1
125.09641	6.7
127.03931	20.0
128.06206	7.5
129.05475	7.1
129.06960	19.6
131.04906	6.2
131.08563	41.7
133.06487	9.0
133.10146	47.1
135.08057	5.4
135.11694	40.3
137.05980	5.6
137.09625	6.0
141.07050	5.5
142.07799	9.3
143.08543	21.4
145.04935	5.3
145.06505	6.8
145.10133	39.9
147.04417	7.2
147.08116	5.4
147.11691	37.2
149.09639	10.6
149.13246	15.6
155.08545	9.9
157.06531	5.2
157.10149	22.6
157.58867	3.3
159.08092	8.5
159.11691	25.2
161.09561	4.6
161.13245	20.7
163.11234	6.1
163.14806	5.7
165.07031	7.9
165.12750	4.3
167.07101	6.5
167.08589	8.2
168.05695	4.2
169.06471	7.6
169.10175	8.8
171.04430	6.5
171.08054	5.9
171.11687	20.5
173.09665	9.7
173.11926	5.1
173.13229	17.6
175.11241	5.8
175.14809	3.1
177.12817	6.2
179.14293	8.2
180.04189	3.7
181.06468	8.3
181.10046	7.6
183.06541	3.7
183.11720	9.0
185.09715	3.4
185.13280	9.3
187.14883	7.3
189.12743	4.2
195.11713	4.8
196.05257	4.5
197.06021	8.4
197.13307	9.0
198.06839	5.0
199.07568	5.1
199.11270	5.3
199.14865	7.3
201.12810	4.2
208.00685	3.4
211.07561	11.1
211.14925	5.2
212.04713	9.8
225.05377	3.8
225.09146	6.1
225.12886	4.0
227.07079	19.4
227.10759	3.8
229.08617	4.6
235.24493	3.6
239.07054	10.9
239.14333	3.4
240.07787	6.3
241.08595	9.1
241.19514	7.4
242.09360	4.0
253.08679	11.5
255.06723	15.2
255.10056	18.5
257.08167	9.9
257.19019	4.6
259.20560	22.6
271.20416	5.0
275.20016	6.2
277.21646	20.7
299.19760	4.0
301.21674	5.7
313.21570	5.7
322.21964	3.5
325.21707	3.4
333.24219	27.2
343.22745	4.0
347.10422	3.6
351.25256	4.3
357.24078	4.8
361.23697	5.6
367.22772	14.5
375.25269	4.3
379.24759	4.3
385.23715	10.0
403.24643	7.9
407.12762	3.9
441.26508	12.5
448.09335	9.0
459.27335	14.6
463.11511	11.3
467.14737	4.7
477.12994	7.8
477.28546	18.5
495.12946	24.6
495.17999	12.9
495.29443	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3106
Annotation	Norselic acid E
Peak:m/z	Relative Intensity
55.01874	6.2
55.05510	19.6
57.07072	8.0
60.78925	2.3
65.57458	2.6
67.05508	37.1
69.03416	4.4
69.07075	16.0
69.24772	5.5
69.25167	23.6
71.08607	4.1
79.05498	14.5
81.03395	2.9
81.07064	36.5
82.58450	2.4
83.04985	4.9
83.08608	7.3
89.06028	2.7
91.05484	12.1
93.07058	15.0
95.04973	4.6
95.08611	26.3
97.02915	3.1
97.06564	3.1
97.10137	3.2
98.20676	4.1
105.07054	6.7
107.04953	13.8
107.08614	7.8
109.10153	14.2
111.04426	6.0
111.37163	2.4
115.05459	7.4
117.07031	10.9
119.08601	7.0
121.06515	3.6
121.10130	10.7
123.11710	5.8
128.06235	7.3
129.07005	12.0
131.04910	9.5
131.08604	5.3
133.06526	2.8
133.08607	3.6
133.10133	4.0
135.11705	5.6
141.07011	9.5
143.08603	13.8
144.05708	35.3
145.06503	36.9
153.07039	8.9
155.08571	10.6
157.06506	26.2
157.10205	5.4
159.08057	9.5
159.11679	3.2
165.06999	8.0
167.08551	13.2
169.06493	20.9
169.10106	4.8
170.07275	4.2
171.04443	3.2
171.08051	36.9
173.05989	97.0
173.09622	2.6
173.13324	3.5
175.14946	3.7
179.08641	5.7
181.06500	15.3
181.10147	4.0
182.07347	4.9
183.08086	27.0
184.08768	4.1
185.05946	3.2
185.09662	12.0
187.07561	7.5
187.11143	3.5
188.57234	2.5
195.08038	22.7
197.05974	20.2
197.09589	12.9
198.06575	2.8
199.07550	61.2
199.11296	2.6
203.18304	2.8
207.08057	10.4
208.08813	3.6
209.09634	11.5
211.07547	20.1
211.11227	3.6
212.08372	3.8
213.09074	17.4
215.07080	12.4
221.09538	5.6
223.07568	16.9
223.11028	3.7
225.09096	11.6
225.12718	3.5
235.07663	3.8
237.09096	9.1
239.14357	5.3
241.08569	9.7
251.14293	5.0
255.17392	3.8
263.10693	5.0
265.15982	3.6
267.13751	4.0
267.17548	4.0
269.15207	6.4
279.17477	3.5
281.12366	3.5
281.15424	8.1
283.17010	9.4
293.15442	4.5
293.18954	4.2
295.16907	8.4
307.17032	3.8
309.18521	6.1
311.19733	3.5
323.16336	4.9
323.19977	4.2
331.45261	2.8
337.17978	5.2
347.20209	3.5
351.19586	4.7
365.21149	3.9
391.26190	6.9
393.27859	4.2
407.29532	9.4
417.27759	11.0
423.28784	4.7
431.29236	7.2
435.28979	100.0
441.28207	3.4
449.30615	14.5
459.29086	19.8
477.30042	40.4
495.30768	59.8
495.39148	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	496.1882
Annotation	kt 5823
Peak:m/z	Relative Intensity
55.05489	0.6
57.03418	0.6
58.06598	2.5
59.07364	1.2
67.05476	0.9
67.16506	0.5
70.68867	1.4
79.05488	1.2
80.61173	0.5
81.07034	1.3
83.08554	0.5
83.50995	0.6
84.41656	0.5
86.23658	0.6
91.05473	0.6
95.08576	0.8
96.40523	0.5
105.07037	0.6
107.08569	0.7
121.10137	0.7
135.11725	0.5
152.06116	0.8
154.07858	1.1
155.08478	0.6
162.11269	0.5
165.07005	9.5
166.07634	0.9
167.08588	4.9
169.06479	1.4
169.10150	1.4
171.04552	0.8
176.25241	0.5
177.07004	1.0
178.07758	1.0
179.08539	1.6
181.06429	1.9
182.07298	4.5
193.06491	1.1
194.07269	3.6
195.08076	1.6
196.05057	0.7
196.08812	1.3
197.05962	2.2
197.07780	1.1
197.09622	18.1
198.06747	1.5
198.09947	0.9
199.07567	0.5
201.09123	0.6
208.08821	3.1
209.06073	0.8
209.09662	6.5
210.06711	1.8
210.96916	0.6
211.07419	2.4
211.11163	0.6
212.08231	1.7
213.05518	0.5
213.09045	1.1
214.06258	1.4
214.09294	0.8
217.14624	0.5
224.08318	3.6
225.05505	1.2
225.09120	23.0
226.09746	1.8
227.10777	0.7
229.08568	2.7
236.14954	6.2
239.06973	1.0
239.10663	15.1
240.11462	100.0
241.05110	1.2
241.08508	1.0
241.11790	4.8
242.09175	0.7
243.09903	0.6
253.08557	0.5
255.10167	8.4
256.10870	1.4
257.08041	4.9
267.10135	1.3
330.59567	0.5
371.76419	0.6
393.14923	0.7
450.14282	0.8
453.17310	0.6
465.16669	0.9
473.19931	0.6
478.35522	2.0
481.16409	2.3
496.18839	99.3
496.35626	6.2
497.19345	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	496.1884
Annotation	kt 5823
Peak:m/z	Relative Intensity
55.05506	0.8
57.07072	0.3
60.08162	0.9
67.05502	1.2
68.99790	0.8
70.66799	1.0
71.07401	0.4
74.00374	0.4
79.05476	0.5
79.17791	0.3
81.07062	1.0
85.02924	0.6
85.10185	0.6
86.09718	2.3
89.06028	0.6
91.05478	0.5
92.76186	0.4
93.07060	0.7
95.08584	0.7
97.10171	0.4
104.10744	5.1
107.04956	0.5
109.10143	0.6
115.05467	0.7
115.21325	0.3
121.10165	0.5
125.00006	1.8
131.08545	0.5
135.11652	0.4
141.06999	1.5
145.06483	0.9
152.06229	0.7
153.07011	1.7
154.07800	0.6
155.04919	1.7
155.06079	0.4
155.08575	0.7
157.06537	0.8
165.07021	5.4
166.07817	0.9
167.08575	1.7
168.05713	0.9
169.06512	4.1
169.07889	0.5
170.07288	0.9
171.04408	2.0
173.05989	0.5
178.07623	0.6
179.04918	0.6
181.06523	2.8
182.07285	2.0
183.04532	0.7
183.08075	5.1
184.05695	0.5
184.07353	4.8
185.05986	0.7
185.09608	0.5
193.06482	1.2
194.07280	1.1
195.08084	1.9
196.05299	0.9
196.08855	1.3
197.06021	7.0
197.09631	2.7
198.06717	1.7
199.07578	1.1
201.09213	0.9
207.04430	6.0
208.08847	0.5
209.06012	1.7
210.06783	1.6
211.07570	7.8
212.08363	2.8
213.05614	3.2
213.09128	7.7
215.07016	0.7
223.07597	1.1
224.04710	0.7
224.08337	2.9
225.05516	8.9
225.09074	4.3
226.06245	0.7
226.09914	2.7
227.06998	1.5
227.10689	0.5
228.07831	0.9
229.08574	3.8
237.09248	0.8
238.09904	0.7
239.07074	4.5
239.10689	1.3
240.07744	0.9
240.11465	4.9
241.04993	1.7
241.08621	3.6
242.09378	1.2
243.06474	0.7
243.10236	1.5
253.08644	1.1
253.12230	1.3
254.09438	0.6
255.06609	0.5
255.07292	0.6
255.10204	5.5
256.07355	1.8
256.10925	5.3
257.08124	13.4
267.10123	1.8
271.09698	2.0
272.10324	2.3
294.21155	0.4
313.27322	0.4
389.11685	0.5
403.13760	0.5
421.14612	0.6
435.11658	0.7
438.14560	0.4
448.13159	0.6
450.14175	2.2
453.17004	1.5
463.15454	0.6
464.16144	0.7
466.13980	0.9
478.32983	0.6
481.16559	7.6
496.18854	100.0
497.19302	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	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05032	1.0
57.07072	3.2
58.06598	1.3
60.08165	16.4
67.05500	0.6
69.07066	0.5
69.71769	2.3
69.72174	1.1
71.07378	6.3
71.08642	1.4
85.10196	1.0
86.09709	44.6
95.08620	0.8
98.98466	3.4
104.10746	100.0
109.10169	1.0
125.00011	25.9
163.01624	0.9
166.06198	0.5
180.14061	0.5
182.80621	0.6
184.07347	97.2
185.07822	0.7
186.38403	0.6
194.14787	0.6
258.10974	1.2
313.27487	1.4
429.30386	0.7
478.32916	8.3
496.33966	23.4
497.34039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05035	0.5
57.03441	0.4
57.07080	0.7
58.06618	0.3
59.07394	0.2
60.08166	6.2
67.05508	0.5
69.07066	0.2
69.49767	0.3
69.50184	0.8
69.66377	0.1
71.07379	2.9
71.08634	0.5
81.07048	0.5
83.08630	0.1
83.99088	0.1
84.78014	0.1
85.10187	0.2
86.09709	31.9
87.10060	0.2
95.08630	0.3
98.82928	0.1
98.98466	3.4
104.10748	3.1
109.10175	0.2
109.26215	0.1
123.00827	0.1
125.00011	22.4
160.05263	0.1
165.58012	0.2
172.11769	0.2
184.07347	100.0
185.07655	0.3
253.08603	0.3
254.08929	0.5
255.10110	0.2
256.10614	0.2
274.95532	0.2
313.27383	0.4
431.77032	0.2
478.32904	1.0
496.18268	0.5
496.34085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1422
Annotation	Cadensin F
Peak:m/z	Relative Intensity
67.05509	5.4
69.03432	4.5
70.06583	6.7
71.64208	4.4
81.07047	9.5
85.06561	5.6
95.08633	5.5
95.53748	4.5
98.97589	6.7
104.37963	4.4
107.04957	44.0
109.10167	7.5
116.98623	5.0
128.98640	4.1
151.19130	4.2
214.47368	4.3
214.63834	3.6
219.01810	5.9
229.04695	15.5
230.22908	4.0
237.02879	5.2
307.17426	4.7
310.26764	5.2
335.09024	10.3
391.10049	26.0
407.61871	5.5
451.13910	7.6
479.12320	17.9
497.14047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.142
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
51.81046	1.9
56.96572	1.7
62.74030	1.8
69.85781	3.6
69.86187	6.3
84.04499	2.7
88.53508	1.7
98.29852	1.8
98.97593	2.7
107.04964	37.8
137.05986	4.0
145.00528	2.3
158.99597	1.7
200.41803	2.2
219.01900	2.3
229.04758	21.7
248.87541	2.0
391.10065	9.1
497.14209	100.0
497.19931	4.7
498.14676	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05488	1.7
67.05169	0.9
67.05508	3.4
69.03426	2.2
69.07057	2.7
70.06594	1.0
71.48852	1.0
79.05478	3.2
81.03432	1.3
81.07065	6.6
83.08597	1.1
85.02906	2.1
90.17595	1.0
90.50755	0.9
91.05476	3.7
93.07030	3.9
95.08608	4.6
96.71195	0.8
97.02884	1.2
103.05489	2.2
105.07022	3.4
107.04950	9.4
107.08585	3.3
109.02827	1.2
109.06497	1.2
109.10161	4.0
113.21740	1.0
119.08562	2.2
121.06489	1.0
121.10160	2.3
123.11709	1.6
127.03956	1.8
129.07053	1.5
131.04916	4.5
131.08556	1.2
133.10204	1.2
135.11633	1.4
137.05951	1.1
141.06966	2.3
145.06479	1.8
145.10155	1.4
147.11649	1.4
151.19794	0.9
153.07011	3.9
157.06483	3.3
159.11668	1.5
161.09544	1.6
165.07050	2.2
168.05815	1.2
169.06491	4.2
171.04436	2.9
171.08067	2.4
173.05951	1.8
173.13260	1.2
179.08607	1.1
181.06490	10.0
182.07253	2.6
183.08043	2.5
184.05237	5.3
185.06024	2.3
185.09622	1.9
186.69695	1.1
187.07520	1.4
195.08099	2.6
196.05202	3.1
197.05998	7.8
197.09666	1.3
198.06755	6.4
199.07535	17.2
201.09120	1.5
209.06061	3.1
210.06845	2.5
211.07518	6.4
212.04718	4.1
212.08218	1.5
213.05534	5.2
213.09155	4.8
223.07576	1.1
224.08331	1.4
225.05399	7.3
225.09125	1.6
225.64560	1.0
226.06209	3.3
227.07004	20.5
228.07793	6.7
229.08577	3.1
239.07051	2.5
240.07773	8.1
241.08589	30.0
242.09334	16.5
253.08643	1.9
255.06464	9.9
255.10182	3.2
257.07983	6.2
267.06516	2.8
331.11160	1.3
333.18588	0.9
339.09912	1.0
347.10458	1.1
349.12183	1.2
365.11749	1.7
375.09967	1.8
376.11023	3.3
377.11673	3.6
387.10220	2.7
393.11267	1.8
394.11621	1.3
395.13004	1.3
403.09586	2.1
404.10199	3.5
405.11157	5.7
406.12146	1.9
407.12604	1.5
408.13589	1.2
411.12070	1.4
415.09427	1.3
416.10287	1.2
418.06937	1.3
419.12830	3.7
420.13864	1.6
421.10791	3.1
422.11465	1.1
432.09814	2.2
433.10764	4.8
434.11475	3.1
435.12302	1.7
436.12967	5.7
437.13861	3.2
438.14468	1.3
447.12231	3.7
448.13022	3.9
450.10968	1.7
451.15948	4.5
454.14050	2.7
464.12378	2.9
465.13184	7.0
466.14185	11.5
469.16550	7.6
479.15018	16.9
482.13101	7.0
497.15875	100.0
498.16202	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	497.1598
Annotation	Tafricanin B
Peak:m/z	Relative Intensity
55.01871	0.6
69.40077	4.3
72.50458	0.5
79.05479	1.0
80.84116	0.6
81.07043	0.7
91.05499	0.6
93.07021	0.8
96.89890	0.5
107.04910	1.5
107.08580	0.6
109.10158	0.7
127.04072	0.6
128.06189	0.7
129.06981	0.7
131.04924	0.7
141.07002	1.5
144.05679	1.1
152.06248	1.2
153.07005	2.8
153.08051	0.6
155.08501	0.8
157.06471	2.4
161.05998	0.6
165.06985	3.2
166.07837	0.6
167.08572	1.8
169.06517	2.8
170.07201	1.8
171.04376	1.6
171.07979	1.4
173.09557	0.5
179.08531	0.6
180.05681	1.0
181.06483	11.3
182.07246	2.4
183.08047	2.8
184.05180	1.3
185.06023	1.2
195.08076	5.9
196.08842	7.3
197.05984	5.0
197.09709	0.8
198.06758	4.0
199.07573	3.0
201.09108	0.7
209.05983	2.4
210.06697	1.9
211.07602	3.2
212.08331	9.1
213.05667	1.1
213.09119	12.7
222.06671	0.6
223.07556	1.6
224.08307	0.8
225.05403	1.0
225.09073	3.0
226.06273	3.3
226.09932	1.0
227.07068	10.6
227.10689	2.3
229.04994	1.2
229.08665	1.0
237.09111	0.7
239.07039	2.6
240.04152	0.7
240.07748	2.3
241.08603	41.1
242.09380	34.8
243.09926	1.4
253.08679	0.8
255.06871	11.8
255.10170	100.0
256.10931	9.5
257.08084	1.7
269.08115	0.6
335.10724	0.8
349.12375	0.9
358.09888	0.8
359.10587	1.4
363.09973	1.0
365.11707	0.9
371.10828	0.7
373.12146	2.0
374.13083	0.8
375.09787	0.8
376.10785	0.8
377.11615	1.9
383.12619	0.7
387.10056	1.0
388.10745	0.7
389.11465	1.0
390.12500	1.2
391.13358	0.7
401.11636	1.2
402.12823	1.0
403.09506	1.0
404.10251	1.2
405.10712	2.9
406.11761	0.7
407.12582	1.0
411.12292	0.6
416.14465	1.0
419.12820	2.7
421.10098	0.7
433.14969	1.1
434.15280	3.3
436.13113	0.8
437.13654	1.8
448.16571	1.5
450.14600	1.7
451.15704	1.2
465.12558	2.9
465.17264	4.7
466.17764	1.7
469.16257	1.8
479.14642	6.7
482.13101	1.1
497.16028	18.8
498.16403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1613
Annotation	Tafricanin B
Peak:m/z	Relative Intensity
55.01860	1.9
68.99786	2.6
70.13197	3.6
70.13580	3.9
79.05498	3.0
81.07056	4.5
83.08659	1.6
85.02903	3.3
91.05453	2.8
93.07066	2.4
95.08598	2.4
97.02872	1.9
98.21420	1.9
98.97600	2.1
105.07022	3.8
105.63298	1.5
107.04953	6.1
107.08614	3.1
109.10152	1.9
119.08593	2.8
128.06239	1.9
131.04935	2.8
131.08638	2.1
137.05922	1.4
141.07037	2.0
144.05783	3.0
145.10124	2.0
152.06256	1.7
153.07007	4.0
156.08920	1.8
157.06517	10.9
157.10176	2.1
158.07182	1.7
159.11708	1.9
165.07033	5.7
167.04950	1.6
167.08670	2.3
169.06500	3.7
170.07303	2.4
171.04359	2.2
171.08052	3.0
181.06511	23.1
182.07295	6.7
183.08072	5.1
184.05322	2.2
185.05995	8.5
185.09621	2.6
186.06752	1.8
187.07510	3.0
194.07378	2.3
195.08069	7.5
196.08858	4.0
197.05989	6.1
198.06731	8.6
199.07494	7.6
209.05984	4.7
210.06737	6.8
211.07614	12.2
212.08353	6.9
213.05476	5.0
213.09111	23.6
215.07066	1.8
218.25937	1.6
219.07948	2.1
223.03902	1.8
223.07616	4.4
224.08487	2.1
225.05504	2.5
225.09128	10.7
226.06195	5.6
226.09853	4.0
227.07045	27.5
228.07732	2.3
229.08539	2.2
239.07014	2.0
240.07878	2.7
241.08611	96.5
242.09383	83.2
255.06573	15.5
255.10194	40.0
256.10956	10.6
257.07935	2.1
265.08862	1.7
269.08063	3.7
329.09055	2.6
331.11191	1.9
335.10602	2.8
342.10303	1.8
347.10672	4.1
348.11395	2.2
349.12201	3.8
353.11740	2.4
358.09912	3.2
359.10626	6.2
360.11389	3.5
361.12238	3.6
363.09927	3.0
363.14001	2.6
365.11786	3.9
371.10623	3.3
373.12213	6.4
375.10040	2.5
376.10797	5.9
377.11630	7.2
379.13364	2.6
383.12842	2.4
387.10104	6.7
388.10773	3.2
389.11792	5.8
390.12628	2.7
391.13263	6.6
403.09253	2.4
404.10184	2.5
405.11002	11.7
407.12714	5.0
409.14447	2.9
411.12332	2.0
415.09637	2.6
418.12036	3.0
419.12720	11.8
420.13458	3.5
421.10791	4.4
422.11414	2.1
423.12143	2.2
425.13535	2.5
433.10602	5.0
433.15393	2.3
434.10992	2.7
435.12170	7.2
436.13016	6.0
437.13651	6.1
441.16943	6.5
447.12198	7.2
448.16714	6.1
450.10852	4.9
451.16006	3.2
464.11749	9.9
465.12909	17.1
466.13992	3.6
469.16467	10.5
479.14722	95.2
480.14758	3.4
482.13245	8.0
497.16049	100.0
498.16251	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	497.1598
Annotation	Erythrolide E
Peak:m/z	Relative Intensity
55.01862	2.1
67.05505	2.0
68.99785	1.9
69.07044	1.0
69.57250	1.7
69.57670	3.6
74.94852	0.9
74.98043	0.9
79.05484	1.4
81.07053	1.3
85.02911	3.0
91.05459	2.1
93.07043	1.8
95.08596	1.5
98.21471	1.0
102.12883	0.8
103.05469	0.8
103.29523	0.7
105.07037	1.6
107.04945	3.0
107.08612	1.1
107.50424	0.9
115.05444	2.2
119.08583	1.0
121.06500	1.2
121.10132	1.7
123.59510	0.9
128.06273	1.2
129.07018	1.6
131.04924	1.4
133.56845	0.8
137.05995	0.9
141.06992	11.2
142.07712	0.8
143.08478	0.8
144.05647	0.9
145.06454	3.6
152.06168	2.2
153.06973	10.1
155.04866	1.3
155.08559	3.9
157.06456	4.5
159.08087	1.6
161.05972	1.7
165.07004	12.1
167.08444	1.0
168.05663	1.9
169.06499	18.2
170.07198	2.8
171.04430	2.8
171.08051	2.0
173.05977	2.3
180.05693	1.4
181.06488	17.4
182.07286	4.5
183.04472	1.5
183.08070	13.9
184.05142	2.7
185.06004	2.4
185.09633	2.9
187.03906	1.0
187.07544	2.3
193.06473	1.8
195.07997	5.1
196.05255	1.6
196.08846	1.7
197.05997	30.2
197.09695	1.1
198.06766	6.6
199.07550	10.7
200.21727	1.0
201.09132	2.3
203.10854	0.9
207.04388	1.1
208.05200	1.1
209.05963	5.5
210.06721	3.4
211.07542	15.6
212.08279	2.1
213.05461	3.5
213.09108	28.2
214.06277	1.5
214.09779	2.7
215.07042	1.8
223.03922	1.6
223.07454	1.4
224.08212	2.0
225.05481	11.8
225.09070	3.3
226.06268	3.1
227.07043	35.4
227.10594	1.8
228.07729	2.4
229.08607	17.6
239.07013	3.5
240.04195	1.8
240.07784	1.2
241.04845	1.8
241.08603	58.6
242.09377	100.0
243.06610	2.5
243.09860	2.4
253.08583	1.7
255.04321	0.6
255.06538	21.5
255.10136	9.0
257.08090	52.1
258.08444	1.5
269.07953	1.9
271.06052	1.0
273.07578	9.7
302.10709	0.9
329.54849	0.9
331.11172	1.7
359.10672	3.5
371.10788	1.1
373.12469	1.4
377.11600	1.3
387.10086	3.3
391.13098	1.4
403.09784	1.1
405.11130	2.5
409.14502	1.0
415.09625	2.0
418.12601	0.9
419.12909	2.8
420.13776	1.1
437.13907	2.0
447.12280	2.5
451.15253	0.9
454.14081	1.0
458.79849	0.9
464.12711	1.1
465.13437	5.2
469.16534	3.7
479.14850	7.0
482.13455	4.0
497.15863	72.2
498.16415	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33057	0.6
53.03949	3.5
53.12226	0.6
55.01865	0.7
57.03436	1.1
61.02918	1.2
63.80053	0.6
65.85195	0.6
67.05492	1.6
69.03436	7.3
69.07069	1.3
70.52320	1.7
70.52718	1.1
71.04980	1.1
77.03905	0.8
77.79736	0.7
79.05497	1.7
81.03421	7.3
81.07050	3.0
83.04975	0.7
85.02916	7.8
85.06564	0.8
91.05495	2.2
93.07046	1.5
94.79690	0.7
95.04955	1.7
95.08607	1.4
97.02905	4.6
99.04444	1.8
103.05476	33.5
105.07056	1.3
107.04968	5.7
107.08588	1.5
109.02891	9.0
109.10188	1.3
111.04436	0.8
123.04443	0.7
127.03925	8.6
131.04938	100.0
132.05255	1.2
133.10153	1.1
137.05937	0.7
145.04993	1.8
145.10141	1.0
147.04414	1.3
149.06102	0.9
155.08539	0.7
157.06506	1.5
159.31380	0.7
165.07083	1.0
169.06523	1.4
181.06549	1.1
187.06027	3.8
187.07513	0.9
196.05161	1.4
197.05971	1.6
198.06578	0.9
199.07564	2.3
210.06781	0.8
211.07576	2.0
213.09108	1.2
224.91302	0.7
225.05498	1.1
227.07104	2.2
228.07684	0.9
239.06989	1.1
240.07930	0.9
241.08534	3.8
242.09468	2.0
255.06662	2.3
257.08029	5.2
275.09100	1.5
279.82602	0.8
293.10214	0.9
335.12308	2.1
419.12799	0.9
437.14026	1.0
469.16400	2.9
479.14841	1.5
497.15741	11.7
498.15921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03949	1.1
55.01868	0.3
57.98812	0.4
58.99589	6.7
67.05510	0.4
69.84441	1.2
76.02232	44.5
76.03986	1.8
78.71712	0.3
79.05507	1.5
81.03394	0.4
81.07050	0.4
86.99052	1.8
88.02222	1.0
95.04969	1.1
95.08597	0.4
105.04499	0.5
107.04961	100.0
107.49518	0.3
108.05314	0.8
109.10232	0.5
116.01681	12.8
119.08549	0.4
121.10129	0.6
130.20900	0.3
143.99997	0.5
144.01149	9.7
145.73033	0.3
147.09654	0.3
157.06464	0.3
159.11655	0.3
162.02213	37.7
169.06541	0.4
179.04861	95.5
180.05003	0.6
197.05962	1.0
200.23915	0.3
211.07581	0.7
212.10635	0.6
213.09035	0.4
219.01929	0.3
221.09792	0.4
223.85710	0.3
225.05504	1.8
239.06989	0.4
255.10361	0.6
257.08127	1.4
268.06396	2.0
285.09058	37.0
380.89169	0.4
391.13217	5.4
397.22787	0.3
497.15173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77350	0.5
56.69071	0.5
62.24730	0.5
69.46964	1.8
69.47400	2.1
75.65771	0.6
98.21450	1.1
126.72355	0.6
141.06929	0.5
152.06155	1.3
153.06969	1.7
157.06451	0.7
161.05896	0.8
165.06978	2.2
167.07228	0.5
167.08536	1.5
169.06470	1.6
170.07220	1.0
171.08109	0.6
180.05682	1.9
181.06487	7.7
181.07993	0.9
182.07234	2.4
183.08041	2.2
184.08832	0.6
185.09634	0.7
186.06862	0.6
187.07468	0.8
195.08089	3.6
196.08891	5.3
197.05988	2.9
198.06812	3.6
199.07535	0.8
201.09096	1.0
209.05995	1.3
210.06682	1.2
211.07516	2.4
212.08324	9.0
213.09126	8.2
214.09494	0.7
215.98988	0.5
223.07483	0.7
224.08321	1.1
225.09030	1.3
226.06250	0.8
226.09691	0.6
227.07014	2.3
227.10652	2.5
239.06982	1.6
240.07681	0.8
241.08626	24.0
242.09419	4.9
243.09946	0.9
253.08669	0.8
254.09015	0.6
255.10187	100.0
256.10925	14.7
256.13583	1.0
257.11349	1.2
266.91364	0.6
269.11621	0.7
361.12146	1.0
373.12454	1.0
379.12997	0.9
387.14304	0.6
389.11700	1.1
402.12756	0.6
403.13306	0.8
405.14963	1.6
415.13632	0.6
419.12796	1.3
433.14355	2.6
434.15186	3.3
437.17737	1.1
447.16150	1.4
448.16913	1.6
450.14493	2.6
451.15210	0.8
464.16229	1.5
465.17047	4.9
466.18411	2.7
479.18747	1.8
482.17209	2.4
497.19559	27.6
498.20142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51775	0.3
55.05494	0.2
62.53519	0.2
67.07353	0.2
70.92546	0.7
75.04465	0.3
79.05453	0.4
81.07014	0.5
82.05978	0.2
85.02846	0.3
85.44221	0.2
91.05431	0.4
93.06994	0.3
95.08569	0.4
96.12008	0.2
98.97539	0.3
99.73843	0.2
105.06989	0.3
107.04906	0.6
107.08566	0.3
131.04881	0.4
135.71336	0.2
141.06931	0.6
144.32690	0.3
152.06198	1.6
153.07008	1.6
155.08585	0.3
157.06441	0.4
161.05959	0.5
165.07002	2.5
166.07669	0.3
167.08553	1.4
168.05682	0.5
169.06487	1.9
170.07219	0.6
171.04413	0.5
171.07988	0.7
180.05666	1.1
181.06499	3.8
182.07275	1.4
183.08081	1.6
184.08813	0.9
185.09605	0.4
195.08081	5.1
196.07191	0.4
196.08855	6.1
197.06001	2.9
197.09557	0.3
198.06729	1.3
199.07553	1.7
201.09079	0.4
209.05952	0.8
210.06747	0.6
211.07503	1.5
212.08331	9.2
213.09131	6.7
214.09784	0.4
219.01779	0.4
223.07474	1.2
224.08290	1.5
225.09081	1.1
226.09976	0.3
227.06981	0.8
227.10675	2.8
237.09135	0.7
239.06975	0.8
240.07780	1.0
241.08603	8.6
242.09372	3.3
253.08539	0.8
255.10178	100.0
256.10870	6.9
257.08096	0.8
268.92709	0.3
343.11038	0.3
345.12518	0.6
361.12213	0.3
372.11362	0.3
373.12335	0.7
374.13193	0.3
379.13113	0.3
387.13873	0.4
389.11853	0.8
390.12650	0.5
401.11911	0.4
403.13596	0.4
404.14090	0.4
405.14874	0.3
407.12936	0.3
415.13437	0.5
416.14465	1.1
417.11508	0.8
418.11768	0.3
419.12558	0.7
421.14578	0.4
431.12781	0.3
432.13736	0.7
433.14728	1.7
434.15204	1.6
437.17883	0.4
447.16388	1.3
448.16922	1.0
449.13931	0.4
450.14532	0.6
451.15598	0.5
464.16336	1.1
465.17191	3.7
466.18051	0.7
479.12619	0.4
479.18802	1.2
482.17514	0.6
497.19778	13.1
498.20657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82442	0.5
53.03939	0.9
54.27732	0.4
55.01868	1.0
55.05499	1.7
57.03428	1.8
57.07064	0.6
61.02934	2.9
67.05506	5.1
69.03433	2.6
69.07060	1.3
69.64898	2.7
73.02908	1.9
74.66968	0.5
75.12888	0.4
79.05501	4.7
81.03410	1.6
81.07065	5.8
83.08621	1.5
85.02913	4.0
85.06551	0.6
91.03958	1.7
91.05492	4.5
93.07039	5.4
93.21796	0.4
95.04960	1.2
95.08612	4.7
97.02908	3.0
97.06561	1.1
98.20798	0.7
99.08134	0.5
103.05469	1.0
105.07027	4.0
106.07321	0.5
107.04959	4.0
107.08610	3.4
109.06501	1.1
109.10138	2.3
117.07017	1.4
119.08575	2.5
121.06490	1.5
121.10148	2.5
123.08040	0.6
123.11728	0.8
127.03928	1.3
127.44086	0.5
128.06277	0.9
129.06989	1.8
131.04932	1.9
131.08583	2.6
131.12657	0.5
132.08904	0.5
133.06520	0.8
133.10095	1.7
135.08017	1.2
135.11694	1.5
140.00278	0.5
141.06998	1.4
143.08565	1.5
143.47003	0.5
145.06470	0.6
145.10118	1.5
147.08067	0.8
147.11717	1.0
149.13202	0.5
152.06253	1.4
153.07019	1.7
155.08533	1.2
157.06497	1.7
157.10144	1.0
159.08023	0.7
159.11703	1.7
161.05891	0.6
161.13242	1.0
163.14816	0.7
164.02902	0.5
165.07037	2.9
167.08554	1.6
168.05730	0.8
169.06526	2.4
169.10068	1.0
170.07278	0.8
171.04364	1.2
171.08084	1.0
173.05959	0.7
173.13295	0.8
180.05658	0.8
181.06496	7.0
182.07259	2.1
183.08064	3.6
184.05264	0.7
184.08920	1.1
185.06017	1.1
185.09636	1.0
187.07607	1.1
187.14919	0.6
193.06523	0.6
195.08023	5.2
196.08832	7.1
197.06004	5.2
198.06795	3.2
199.07567	2.6
199.11230	0.6
200.04628	0.7
209.05901	1.0
210.06767	1.6
211.07541	4.5
212.04724	1.0
212.08330	9.3
213.05574	3.1
213.09097	9.1
214.06238	0.7
215.07056	1.7
223.07533	1.0
224.08308	1.5
225.05446	1.2
225.09062	2.9
226.06294	1.0
226.09921	6.6
227.07050	5.6
227.10593	2.5
228.04036	0.7
228.07726	0.7
229.08543	1.2
237.05426	0.7
239.07016	1.5
240.07732	1.4
241.08607	20.8
242.09375	8.5
243.06541	2.6
243.10069	0.6
253.08705	0.7
255.10176	100.0
256.10861	7.4
257.08069	2.4
257.11298	0.6
261.22119	1.3
269.11758	0.6
271.05997	1.9
273.07700	0.6
275.20279	0.6
315.23483	0.6
335.25653	2.1
341.24875	0.6
346.89355	0.6
351.22745	0.7
369.24158	1.1
372.11414	0.6
378.12158	0.6
389.11450	1.0
401.12030	0.7
405.14948	0.8
407.12534	0.7
416.13931	0.7
417.10922	0.7
419.12808	2.3
420.13510	0.8
431.27795	0.7
432.13483	1.0
433.14340	1.6
434.15372	3.2
437.17899	0.8
443.27780	2.2
447.16006	0.7
448.16623	1.8
449.13815	0.9
450.14664	2.3
451.15298	1.0
461.29147	1.3
464.16156	1.0
465.17676	7.2
466.17639	1.7
469.16556	1.0
479.12637	0.6
479.18695	1.6
479.29733	1.5
482.17722	2.4
497.15912	11.6
497.18933	9.2
497.30438	3.4
498.16397	0.7
505.79770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00009	0.5
51.55233	0.5
54.42661	0.5
55.01887	0.6
67.05479	0.8
68.99776	0.7
71.22555	0.9
75.46338	0.5
76.39401	0.6
78.62657	0.5
79.05481	0.7
81.07051	0.9
85.02908	0.8
89.24937	0.6
91.05477	1.0
93.07056	0.7
94.52073	0.5
105.06982	0.5
107.04948	1.9
109.10181	0.7
118.44737	0.6
128.06213	0.5
131.04886	1.0
133.10097	0.5
141.06947	1.0
145.92319	0.6
152.06197	1.6
153.06989	2.1
155.08531	0.7
157.06496	3.0
159.08115	0.6
161.05997	0.8
165.07057	3.6
167.08578	1.9
167.20372	0.6
169.06441	2.7
170.07251	1.9
171.04381	1.7
171.08014	1.2
173.09682	0.6
175.11174	0.7
180.05692	1.5
181.06482	10.7
182.07307	4.1
183.08063	3.3
184.05173	1.3
184.08862	1.3
185.05957	1.4
185.09668	1.3
187.07523	0.8
189.09109	0.6
194.07336	1.0
195.08047	6.2
196.05205	1.3
196.08832	6.4
197.05995	5.9
197.09479	0.9
198.06757	3.7
199.07564	2.9
201.09116	1.0
209.05984	2.0
210.06747	3.2
211.07549	3.4
212.08321	10.1
212.87296	0.6
213.09114	14.1
223.07480	1.3
224.08333	1.2
225.05466	1.0
225.09064	3.0
226.06165	2.4
227.07042	12.1
227.10579	3.6
229.04941	2.0
239.07042	1.5
240.04094	0.9
240.07693	2.5
241.08597	39.7
242.09373	39.0
251.07195	0.7
255.06572	11.3
255.10162	100.0
256.10898	7.7
257.08112	1.8
265.08685	0.7
266.61676	0.6
318.91586	0.6
321.08496	0.6
331.10880	0.7
335.10510	1.2
348.11380	0.9
349.12170	1.3
359.10672	1.8
361.12152	0.6
363.09973	0.8
363.14014	0.8
371.10773	0.8
373.12231	1.7
375.10025	0.8
376.10873	1.5
377.11710	1.8
387.09930	1.8
389.11920	1.5
390.12463	1.1
391.13364	1.1
393.10928	0.8
394.11972	1.2
401.11554	0.7
402.12311	0.7
404.09958	1.1
405.10886	2.8
407.12466	0.7
415.09543	1.0
417.11026	0.8
418.12091	0.9
419.12589	2.9
420.13693	1.0
422.15115	0.7
433.14944	1.0
434.15585	2.7
435.12213	1.3
436.12766	0.6
437.13684	1.9
447.11972	1.3
448.16837	0.7
449.14020	0.8
450.14606	1.5
465.16803	6.6
466.18149	1.0
469.16412	1.7
479.14383	5.3
482.13135	0.5
482.17825	1.0
497.15839	14.1
497.18710	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01874	5.5
55.05510	14.2
57.03434	15.2
57.07074	3.8
59.39367	2.2
61.02927	29.5
67.05509	64.4
69.03436	26.2
69.07078	16.7
69.78089	5.8
69.78477	4.9
71.01356	5.8
71.04990	5.7
73.02920	16.8
77.03931	2.9
79.05499	43.2
81.03428	17.2
81.07058	66.7
83.04989	5.3
83.08620	5.9
85.02905	33.1
85.06557	2.6
91.03965	22.9
91.05489	32.9
93.07053	41.2
95.04973	8.2
95.08611	47.8
97.02893	30.3
97.06529	6.5
97.10172	3.5
99.04440	5.8
101.02386	8.5
103.03958	3.7
105.07056	26.5
107.04951	6.8
107.08608	25.3
109.02879	5.9
109.09452	3.7
109.10158	24.6
111.04430	3.5
111.08096	4.0
115.03929	3.8
115.05394	3.0
117.05517	2.4
117.07034	9.7
119.08600	22.1
121.06471	3.5
121.10143	21.2
123.04465	2.3
123.11700	7.5
125.09660	2.7
127.03934	14.0
129.07030	4.2
130.07756	2.8
131.04958	3.0
131.08565	13.8
133.10149	15.0
133.63751	2.4
135.08070	6.9
135.11696	14.4
137.09547	2.4
137.13264	3.1
141.06984	4.4
143.08600	4.7
144.05766	2.6
145.04965	4.7
145.06482	3.2
145.10129	14.9
147.04434	2.7
147.08101	3.3
147.11667	9.9
149.09615	4.9
149.13277	8.6
153.06937	4.1
157.06491	4.3
157.10155	5.7
159.07930	2.6
159.11710	9.0
161.13281	7.7
163.14850	5.4
165.07050	5.7
167.08562	3.7
167.79782	2.2
169.06468	5.0
170.07268	4.5
173.13260	8.2
175.14842	2.8
181.06488	17.3
182.07281	6.7
183.08000	4.3
185.09660	2.6
185.13194	3.1
187.14915	3.5
195.08044	6.7
196.05190	15.3
196.08841	7.5
197.05957	9.3
198.06743	9.3
199.07494	4.3
201.07553	2.6
209.06079	2.6
210.06752	3.5
211.07549	20.3
212.08287	10.3
213.09108	24.6
217.59673	2.3
223.07494	4.1
224.08307	5.2
225.05461	3.8
225.09192	4.6
226.06160	2.9
227.06987	6.7
227.10606	5.1
229.08574	3.9
235.02274	2.7
239.07042	15.8
240.07816	5.5
241.08612	70.8
242.09303	14.1
243.21147	5.4
245.15141	2.2
253.08582	2.4
254.08813	2.3
255.10187	100.0
256.10922	19.3
257.08157	3.4
261.22260	12.2
264.67505	2.4
282.79831	2.3
301.21588	2.9
315.23398	3.2
332.10638	3.8
335.10785	2.8
335.25824	36.8
375.12381	11.9
376.12930	3.6
402.12390	3.1
405.15247	3.4
419.12640	7.0
423.11716	2.9
433.14423	7.8
434.15131	15.3
437.18057	3.8
443.28043	2.5
447.15936	4.0
448.16931	5.5
449.13715	3.9
450.14670	5.7
451.15533	2.7
452.06131	2.5
461.28717	5.0
465.17471	25.8
466.18161	4.2
469.16663	2.4
479.18344	8.9
479.29596	4.0
482.17493	6.5
497.20300	56.7
497.30576	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.8
53.03939	9.0
55.01868	7.2
55.05519	21.9
57.03438	31.4
57.07059	9.8
59.04973	3.1
61.02927	70.6
65.03940	5.1
67.05506	93.6
69.03432	42.0
69.07078	19.0
69.67149	13.0
69.67564	5.3
69.85500	2.7
71.01353	8.2
71.05001	5.9
73.02914	34.7
79.05495	65.5
81.03412	25.6
81.06590	6.0
81.07056	100.0
82.07372	4.1
83.04974	7.2
83.08623	15.4
85.02910	62.0
85.06537	4.2
87.04443	5.2
87.36933	3.5
91.03520	2.9
91.03968	36.7
91.05481	57.2
93.07048	79.4
95.04969	13.6
95.08610	62.0
97.02895	57.0
97.06511	8.3
97.10156	5.8
99.04450	9.6
99.08106	4.1
101.02363	9.3
103.03917	8.7
105.04491	3.8
105.07044	46.4
107.04937	8.5
107.08595	44.9
109.02859	9.5
109.06483	6.0
109.10151	30.2
111.04428	4.7
111.08083	5.7
115.03916	4.6
115.05451	4.9
117.07009	25.5
117.81084	3.3
119.08572	37.9
121.06503	8.4
121.10147	33.8
123.08040	4.9
123.11702	6.2
127.03943	11.4
128.06221	4.9
129.05492	7.5
129.07001	14.6
131.08575	46.0
133.06490	7.8
133.10126	27.1
135.08069	6.2
135.11699	22.2
137.05931	3.3
137.09644	4.4
137.13240	7.6
141.06967	5.3
143.08580	15.0
145.05026	6.4
145.06425	6.6
145.10129	23.1
147.08081	8.8
147.11667	17.2
149.09543	4.6
149.13258	15.2
151.11163	3.8
153.07030	3.2
155.08548	7.9
157.06525	4.2
157.10118	11.8
159.08087	5.4
159.11681	17.3
161.13258	12.4
163.11174	4.3
163.14812	9.9
165.06990	4.8
167.08524	3.9
169.10191	4.9
171.08012	7.6
171.11694	9.8
173.13232	13.5
175.11200	4.8
175.14867	9.1
177.12836	3.5
181.06491	6.9
183.08075	5.7
183.11777	4.2
185.09589	5.0
185.13356	5.7
187.11234	4.0
187.14807	9.6
194.53389	3.0
195.08061	4.7
196.05058	3.4
196.08978	3.9
197.13327	4.6
198.06702	5.4
199.14857	3.9
211.07602	4.0
212.08336	6.7
213.09143	10.0
213.12695	3.9
215.14267	3.5
225.09003	3.2
227.07036	3.8
227.10580	4.5
227.14259	3.9
233.22711	3.7
239.07037	7.0
241.08609	14.2
242.09354	4.0
243.21054	16.9
255.10161	65.4
255.20935	3.1
256.10944	10.6
257.22812	4.2
259.20691	5.9
261.22092	26.0
273.22263	6.9
275.23883	4.1
285.22144	5.9
295.40707	3.3
301.21637	5.6
303.23093	10.6
315.23090	9.2
317.24918	9.0
327.23221	9.3
333.24258	6.0
335.25800	45.9
341.24799	7.8
345.24286	5.7
351.23007	4.9
359.57669	3.7
369.24133	19.1
377.26636	7.1
387.25220	9.3
389.26990	6.6
405.26331	5.3
419.27887	11.8
425.26883	5.8
431.27823	15.1
433.14575	4.4
437.13815	4.3
443.27930	47.3
461.29303	20.3
469.15430	3.9
479.18759	7.2
479.29852	21.3
497.19379	20.1
497.31000	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01852	2.0
55.05519	3.6
57.03444	4.1
57.07065	1.3
57.70836	0.5
61.02932	7.4
65.03934	0.9
67.05508	14.2
67.23019	0.5
69.03151	0.5
69.03439	6.7
69.07076	4.5
69.33897	2.2
69.34323	2.0
70.06563	0.8
71.01340	1.2
71.04979	1.3
71.08630	0.9
73.02921	5.0
75.54404	0.5
76.89507	0.5
79.05499	8.8
81.03424	4.1
81.07065	14.8
83.04978	1.6
83.08601	2.5
85.02444	0.7
85.02915	8.9
85.06543	1.1
87.04500	0.7
88.10312	0.6
90.58366	0.5
91.03960	4.2
91.05483	9.2
92.05834	0.6
93.07046	11.3
94.07374	0.7
95.04969	2.0
95.08609	11.5
97.02892	7.1
97.06530	1.4
97.10204	1.1
98.21486	0.8
99.04454	1.3
101.02351	1.2
103.03944	1.1
103.05460	1.7
105.07030	5.9
107.04928	3.7
107.08607	7.3
109.02862	0.9
109.06501	1.4
109.10168	4.2
111.04436	0.9
111.08077	0.7
115.03973	1.1
115.05450	1.3
115.36224	0.5
117.07030	3.7
119.08567	6.4
121.06489	2.4
121.10146	5.1
123.04406	1.1
123.11699	2.2
125.09566	0.7
127.03922	2.1
128.06247	1.0
129.05550	1.1
129.07004	2.7
131.04922	2.4
131.08589	5.8
133.06491	1.1
133.10141	4.0
134.91772	0.5
135.08054	1.3
135.11702	3.8
137.05983	0.9
137.09749	0.5
137.13231	0.6
138.12379	0.6
141.06996	2.2
143.08611	2.7
145.04910	1.0
145.06523	0.9
145.10109	4.0
147.08064	1.4
147.11682	2.3
149.09647	0.8
149.13264	3.3
151.11378	0.6
152.06223	1.4
153.06964	1.5
155.04881	0.7
155.08530	1.5
157.06464	1.8
157.10144	2.4
159.08051	1.0
159.11676	2.9
161.06067	1.1
161.09624	0.7
161.13232	2.6
163.11151	0.7
163.14806	1.6
165.07030	3.1
166.07732	0.6
167.08534	2.0
168.05531	0.5
169.06471	2.9
169.10098	1.0
170.07187	1.3
171.04446	1.6
171.08035	1.6
171.11755	1.3
173.09615	1.2
173.13283	2.6
175.14807	1.2
177.12845	0.8
180.05736	1.6
181.06503	6.2
181.10077	0.6
182.07329	3.0
183.08089	3.1
183.11736	0.9
185.06084	0.8
185.09608	1.3
185.13235	1.4
187.07582	1.2
187.14828	1.9
189.12791	0.7
191.14153	0.5
192.99431	0.6
195.08073	4.9
196.05186	0.8
196.08871	6.1
197.06001	5.4
197.09645	0.7
197.13309	0.8
198.06783	4.1
199.07556	2.4
199.11174	0.9
199.14815	1.1
200.04660	0.7
201.09155	0.8
201.16260	0.6
209.06039	1.6
210.06778	1.5
211.07526	4.1
211.14790	0.6
212.04808	1.2
212.08324	9.5
213.05489	1.3
213.09117	9.3
214.09532	0.6
215.07025	1.7
219.11754	0.7
223.07487	0.8
224.08350	1.5
225.05516	0.7
225.09081	1.8
226.06213	1.0
226.09891	2.2
227.07030	5.4
227.10605	3.6
228.04147	1.0
228.07813	0.6
229.08621	1.0
239.06886	2.5
239.10699	0.6
240.07748	2.3
241.08609	22.9
242.09378	8.4
243.06593	1.6
243.21150	1.7
253.08627	1.5
255.10182	100.0
256.10867	9.8
257.08112	1.6
259.20679	0.8
261.22232	3.7
271.06030	1.7
273.07336	1.1
273.22076	1.2
301.21664	1.2
303.23193	1.6
315.23291	1.0
317.24799	1.1
325.21677	0.6
327.23050	1.2
335.25757	6.0
341.24722	0.9
345.24011	0.6
351.22903	0.8
359.25586	0.6
361.12189	0.9
363.25259	0.9
364.10574	0.6
369.24060	2.3
373.12125	0.8
377.26678	1.9
387.14178	0.9
387.25464	1.3
389.10941	1.2
389.26962	1.1
390.12292	0.6
391.13324	0.8
405.15164	1.0
405.26230	1.0
415.13376	0.7
416.14258	0.7
418.12076	1.1
419.12650	2.2
419.27817	1.4
421.14236	0.6
425.26733	0.8
431.27887	2.1
432.13620	0.9
433.14560	1.2
434.15359	3.1
435.11868	1.2
437.17819	1.1
443.27802	5.4
448.16953	0.7
450.14694	1.2
451.15207	1.6
461.28818	3.6
465.17551	6.4
466.17804	2.7
469.16974	0.6
479.14172	1.0
479.29764	3.1
482.17328	1.3
497.16098	13.2
497.18820	10.5
497.30759	10.6
498.16467	1.1
514.54919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53259	0.4
53.03939	1.2
56.96566	3.9
57.03429	1.0
58.06586	1.4
59.91097	0.4
60.08169	19.8
61.02918	1.8
67.04238	0.6
68.05018	1.4
69.03434	3.8
69.05806	3.2
69.80491	1.9
69.80899	0.8
70.06578	0.8
70.98173	0.5
71.04995	0.7
73.02911	1.0
79.05491	1.1
81.03434	2.4
82.05317	0.5
84.08154	0.8
84.96025	0.6
85.02914	7.4
86.00644	0.6
86.09747	0.5
87.04485	0.8
91.03970	0.6
94.05291	0.5
95.04960	0.8
97.02891	5.1
98.03204	0.4
98.21502	0.6
98.97599	11.1
99.01413	2.5
99.04480	1.4
100.02213	1.9
100.99205	0.4
101.00877	0.5
107.04964	100.0
108.05318	0.9
109.02898	1.8
110.97586	3.5
112.05086	1.0
112.99149	4.2
114.02385	0.4
115.00692	0.6
115.02424	1.0
116.98642	2.7
118.00259	0.5
118.25190	0.4
119.01930	0.9
125.01694	2.0
126.02494	13.8
127.03251	40.2
128.18549	0.5
128.98618	1.9
131.00192	2.8
133.01694	0.7
133.03502	0.5
134.99649	0.5
137.06090	0.4
138.05504	0.6
139.00711	0.5
142.00359	0.5
144.01788	0.6
145.00771	0.5
145.03448	0.5
145.04286	14.2
149.01189	0.9
152.01540	0.7
152.05704	1.2
153.02278	0.6
156.01918	0.7
157.01677	0.8
157.04451	0.5
157.06699	1.1
158.01578	0.6
158.99648	2.9
159.05045	0.6
161.01198	1.3
161.03055	0.6
161.04607	0.9
163.02710	1.0
167.02197	0.7
168.03651	0.8
169.04407	1.4
170.05183	1.4
170.99725	1.2
171.02205	0.8
173.01263	1.5
174.02998	0.6
175.02853	0.7
177.04285	1.4
178.04942	1.8
179.02162	0.8
185.09836	30.1
186.10559	1.4
187.02881	0.5
188.02505	0.6
189.00807	0.6
189.03404	0.6
191.02409	0.8
197.02283	0.8
198.03862	0.8
201.00723	1.0
201.06090	0.7
206.02832	1.1
209.03171	1.2
219.01801	6.6
219.03735	0.8
220.07552	0.7
221.05006	0.9
222.05255	0.9
224.03767	0.6
228.07977	0.5
229.08865	0.6
230.09575	1.4
233.03561	0.6
233.07411	0.6
237.02867	5.4
245.05069	1.4
247.05022	0.8
253.06502	0.7
261.02795	0.6
271.07541	4.6
275.04538	0.9
277.05841	0.9
279.03882	0.8
281.05533	0.6
289.08414	2.4
292.09512	1.3
292.14825	5.8
293.05475	0.9
295.07040	2.2
297.06519	0.6
298.07742	0.5
305.10962	0.6
306.06055	0.6
306.11084	1.0
309.10254	0.7
309.60294	1.2
310.11087	4.0
312.06836	0.7
321.10489	3.1
322.10379	1.5
335.06635	1.3
336.07199	0.7
336.13879	1.1
337.08221	1.8
349.08578	0.6
351.10947	0.6
355.09113	1.3
367.08829	1.3
369.61063	0.5
378.61877	0.5
450.89285	0.5
454.20105	86.8
455.20395	2.3
466.11020	0.5
468.13971	0.8
485.82736	0.5
498.12967	2.2
498.19025	10.5
499.13953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
57.03426	0.5
67.05498	1.1
67.95564	0.2
69.03430	0.4
69.07041	0.3
69.18788	0.6
69.19200	1.9
70.06590	0.7
71.04980	0.3
77.08450	0.2
79.05479	1.7
81.03422	0.2
81.07058	1.9
83.04974	0.3
85.02900	1.0
85.06550	0.3
86.09730	0.3
91.05466	1.5
93.07046	0.8
94.06625	0.3
95.04992	0.6
95.08607	0.4
97.02882	0.3
97.06530	0.2
105.04504	0.3
105.07027	0.3
106.06554	100.0
107.04955	25.1
107.06885	1.0
107.08582	0.3
108.05281	0.4
109.02877	0.3
111.13819	0.2
118.06535	4.4
124.07583	2.4
130.06517	0.4
131.08595	0.3
133.10129	0.4
148.07515	0.3
149.13290	0.4
159.11714	0.9
177.12741	1.2
179.14314	0.4
185.07089	0.7
195.08090	0.3
195.13875	0.3
205.98969	0.2
212.10710	11.6
231.07751	1.3
243.15930	1.3
251.16428	0.5
268.11826	0.7
269.17459	3.2
286.12839	9.8
286.16016	0.5
301.19983	0.3
313.12003	0.4
318.14999	0.6
341.11447	0.4
373.13974	0.9
392.16891	0.4
453.05701	0.3
498.20514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
53.58925	1.7
53.76671	1.7
54.71252	1.8
55.05490	2.1
61.61235	1.7
67.05488	4.8
69.07061	3.1
70.06578	6.6
71.02055	1.9
71.04999	2.3
71.47809	2.0
79.05482	6.8
81.03403	1.7
81.07069	12.3
83.04951	4.6
85.02863	2.1
85.06530	3.0
91.05470	7.4
93.07043	11.5
95.04964	6.3
95.08594	8.4
97.06522	6.0
99.04430	3.5
103.05474	3.2
105.07034	7.1
107.04958	100.0
107.08606	9.0
109.06509	7.8
109.10136	2.7
111.08101	3.5
119.08573	6.5
121.06520	18.8
123.11696	2.5
125.05949	4.9
127.07545	2.4
129.07028	2.0
131.04948	4.0
131.08551	3.5
133.10127	3.8
135.04289	2.8
135.08040	5.7
137.05969	3.6
139.07532	3.6
143.07011	1.8
145.06529	2.1
145.10114	6.5
147.08025	3.1
147.11700	13.7
157.10123	5.4
159.06573	2.2
161.13248	3.5
165.12738	4.1
171.11688	5.4
173.09586	6.6
175.11182	7.3
189.12784	10.3
193.12300	8.3
197.06010	2.4
199.11166	7.8
205.12054	1.7
207.13795	8.3
211.13344	1.8
217.12273	29.0
227.07115	2.2
235.13277	55.3
253.11684	3.7
253.14369	75.3
255.10176	2.4
271.15424	4.3
299.05341	3.9
339.14334	3.8
357.15536	7.4
372.73727	2.0
375.16479	2.8
393.09814	10.7
448.12683	2.3
463.92206	2.0
466.13171	2.5
498.16766	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01861	8.5
55.05493	12.3
57.03422	10.2
57.07060	7.7
59.05004	43.3
61.02920	8.0
67.05499	15.8
69.03432	40.4
69.07065	47.1
70.06570	4.4
71.04978	9.2
71.08644	3.6
71.47975	4.4
71.61673	2.5
73.02914	8.0
73.06541	13.1
79.05476	8.7
80.36224	2.5
81.03423	32.5
81.07043	18.7
83.08587	4.9
84.08158	3.2
85.02908	87.2
85.06558	4.9
85.10168	6.2
86.09709	5.1
87.00828	52.8
87.04467	8.3
91.05481	7.4
93.07032	5.8
95.08628	4.5
97.02892	45.1
97.06519	3.7
97.10196	3.2
99.04456	13.8
105.01874	60.5
105.05505	19.0
105.07018	10.0
107.04957	17.7
107.08569	3.2
108.05276	3.9
109.02872	34.5
109.10157	8.1
111.11726	46.5
115.11172	4.0
117.01834	4.7
120.08105	11.5
121.58779	3.4
127.03925	72.8
127.11230	20.1
129.01811	4.0
129.12762	100.0
131.04918	3.1
131.08549	4.3
133.06471	3.4
133.10118	4.5
145.04964	34.8
149.13232	3.7
159.02881	12.4
159.11700	11.8
173.09624	4.7
177.12703	8.2
187.13191	4.6
197.05934	9.4
199.07501	5.5
213.03935	6.0
215.10661	3.6
215.16466	8.6
225.05406	9.4
229.06165	3.4
231.05083	19.7
233.17459	5.9
241.08513	7.9
242.09489	3.5
243.15912	12.2
249.06036	8.0
257.08051	11.5
269.17490	26.1
313.11792	5.1
373.13901	11.0
439.15204	3.8
498.16092	3.2
498.34390	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88052	3.8
53.03967	9.4
54.50710	3.6
55.01876	6.6
55.05494	13.0
57.03425	13.9
57.07062	10.7
59.04756	4.0
59.05007	51.2
61.02919	6.7
67.05489	12.7
69.03436	34.7
69.07069	50.8
70.06580	12.4
70.65965	9.3
71.04990	7.2
71.08620	7.9
73.02908	9.0
73.06551	10.9
77.06031	4.6
79.05493	5.6
79.57289	4.2
81.03444	29.7
81.07060	21.4
83.08602	5.2
85.02915	91.7
85.06564	4.8
85.10144	4.5
86.09690	6.1
87.00835	44.7
87.04461	10.0
91.05508	7.3
93.07029	7.4
97.02907	49.7
97.10169	4.8
98.21368	3.8
99.04440	14.0
105.01868	69.1
105.05537	21.1
105.07038	9.0
107.04970	21.9
107.08549	4.9
107.20658	4.2
108.05273	4.5
109.02905	34.7
109.10135	13.3
111.11736	48.3
115.00211	3.6
119.08569	5.2
120.08125	9.5
121.10127	4.5
126.68781	3.7
127.03922	64.7
127.11206	21.3
129.01811	3.7
129.12761	100.0
141.82544	3.5
145.04970	35.1
145.10143	5.6
149.13344	4.5
159.02890	17.1
159.11722	5.5
165.71521	4.2
175.74773	3.7
177.12775	9.0
187.11078	4.8
187.62862	4.7
195.13841	5.4
197.06079	7.7
199.07558	5.7
213.03978	4.2
214.11368	4.2
215.16342	5.7
225.05489	14.4
231.05052	27.9
233.17505	5.7
241.08656	5.6
243.15948	11.3
249.06175	8.0
257.08112	11.6
269.17526	28.5
373.13977	6.7
467.14566	6.1
499.17505	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85365	1.1
51.02415	1.2
51.72039	1.1
55.01853	3.0
55.05504	3.0
57.03426	4.1
60.04518	3.9
61.02937	7.7
63.29428	1.2
67.05521	1.5
69.03102	1.3
69.03434	15.7
69.07069	28.0
69.58144	7.4
70.06597	7.1
71.04979	3.0
73.02898	3.1
79.44663	1.3
81.03422	6.6
81.07047	1.6
83.04962	1.3
84.04489	1.3
84.08116	1.9
85.02908	100.0
86.09724	1.8
87.04453	1.1
91.03939	5.0
93.07027	1.7
95.08607	7.1
97.02315	1.3
97.02901	24.2
98.20780	2.4
99.04423	3.8
101.02403	1.4
101.94373	1.5
103.03948	1.5
105.07045	1.3
107.04957	24.5
108.05222	1.2
109.02875	7.8
111.11725	27.4
115.03910	1.5
120.08071	1.4
121.10114	3.0
127.03926	25.9
129.10260	2.0
137.05995	2.6
139.11177	35.7
145.04965	47.4
157.12241	52.2
163.06030	21.7
176.51819	1.2
182.42032	1.2
300.10928	1.3
325.11331	3.3
336.27481	3.4
498.32959	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	498.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
67.05499	0.6
71.48824	0.4
71.49242	0.6
79.05497	1.4
81.03442	0.5
81.07046	1.0
82.67974	0.4
91.05486	0.5
93.07040	1.1
95.04961	1.1
105.04546	0.6
107.04958	100.0
108.05293	0.9
117.06974	0.4
143.36800	0.4
149.13252	0.4
169.06374	0.5
181.06494	0.7
195.08125	0.4
195.12129	0.4
195.13747	2.1
197.05981	1.2
199.07532	0.4
211.07550	0.5
212.08231	0.8
213.08937	0.8
213.14874	1.6
214.09305	0.4
225.05505	0.4
227.07036	0.6
228.07578	0.5
241.08585	2.0
242.09039	1.9
242.19681	0.5
243.09663	0.6
250.80740	0.4
255.10155	1.9
256.10629	2.6
257.08130	1.4
257.11172	0.5
258.08502	0.5
360.10944	0.4
378.11789	0.4
406.11603	0.5
420.12985	0.7
466.13260	0.8
467.14407	0.7
480.18549	1.1
498.16400	1.5
498.19937	2.2
498.27017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01864	2.3
55.05518	8.1
57.03434	6.8
57.07087	2.4
59.04999	6.1
61.02923	5.1
67.05505	40.4
68.43034	1.9
69.03419	8.7
69.07063	14.1
70.06602	3.0
70.74703	4.3
71.05000	11.3
73.02898	2.3
79.05503	13.5
81.03407	8.9
81.06595	3.5
81.07055	57.5
82.64721	1.7
83.04967	2.9
83.08620	7.2
84.04491	13.5
84.51951	1.5
85.02917	19.2
85.06538	7.9
86.09698	3.7
87.00816	7.1
87.04478	2.1
91.05496	15.4
93.07047	23.8
95.04964	4.1
95.08606	8.6
97.02902	11.7
97.06539	6.2
98.20918	1.7
99.04479	1.9
105.01878	8.8
105.05481	3.1
105.07021	8.0
107.04951	16.7
107.08601	12.8
109.02876	5.8
109.06508	4.5
109.10143	6.6
111.04363	1.5
111.11720	7.8
117.07001	4.5
119.04949	3.1
119.08560	3.7
121.06509	2.4
121.10142	4.6
123.11662	10.5
126.05395	2.5
127.03911	13.7
129.12747	15.0
131.04893	2.4
131.08577	9.3
133.10115	14.2
135.11670	4.5
145.04935	5.9
145.10106	3.0
149.13266	10.5
151.11172	5.5
159.02890	3.0
159.11691	24.5
161.13205	2.1
167.04036	1.9
169.12206	2.1
177.12750	37.7
179.14297	5.5
187.13254	5.5
195.13782	7.3
197.09581	3.8
213.14824	2.3
215.10564	2.5
231.05148	2.7
242.09381	1.9
243.15926	39.1
247.34734	1.7
249.05988	1.8
251.16377	13.1
254.86650	2.0
257.08005	2.6
269.17487	100.0
301.20120	18.0
413.21564	2.6
445.24313	7.1
455.22192	3.6
467.48383	1.9
498.19864	6.7
499.21512	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11006	1.6
55.05510	6.1
57.03444	6.2
57.07071	2.1
57.11956	1.9
59.05000	1.6
61.02930	3.8
61.42760	1.5
67.05502	37.4
69.07059	6.2
69.85459	9.3
71.04993	8.8
74.80424	1.4
79.05498	11.3
81.03410	3.5
81.07060	60.2
83.04992	3.5
83.08622	6.6
84.04494	4.9
85.02906	5.9
85.06544	5.0
86.09689	1.7
91.05491	14.3
92.41939	1.6
93.07040	23.5
93.71775	1.5
95.04969	3.8
95.08624	9.7
97.06533	4.9
98.21429	2.7
99.08123	2.5
101.44909	1.5
105.07054	6.5
107.04960	6.0
107.08582	8.8
109.02860	2.7
109.10168	3.1
117.07033	4.5
120.08092	1.7
121.02897	2.3
121.10153	4.7
123.11703	8.7
127.94865	1.8
129.12737	2.1
131.04922	2.3
131.08592	6.1
133.10126	13.8
135.11658	5.5
149.13266	10.8
151.11188	5.3
159.11691	25.2
161.13272	3.8
169.12222	3.7
177.12749	32.6
179.14343	8.3
187.11693	1.4
187.13327	7.1
189.82417	1.9
195.13850	6.1
225.09134	2.5
243.15927	32.2
251.16431	12.8
269.17487	100.0
301.20081	17.9
305.37427	1.5
373.13593	2.6
445.24445	7.1
498.18927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95615	0.7
56.05023	1.2
60.05656	4.7
69.03425	1.6
69.07063	3.0
70.06595	82.3
71.04999	4.4
71.06966	0.7
71.47571	1.0
72.08151	2.4
74.06076	0.8
79.05514	1.3
84.04518	0.9
84.08143	3.2
85.02916	2.1
86.09712	23.8
88.07643	1.6
91.52258	0.9
93.07030	2.1
95.04987	0.7
95.06129	1.0
95.08618	1.5
97.02875	1.3
97.07638	1.2
98.06061	5.3
99.93318	0.7
105.07098	0.8
106.15191	0.7
107.04950	5.7
110.07151	1.7
112.08731	30.9
115.08687	5.4
116.07096	11.1
121.10143	1.5
129.10231	1.3
136.07605	1.3
138.12779	3.7
140.07153	1.3
140.08153	5.0
142.00519	0.7
157.10873	11.3
162.18254	0.7
166.12337	1.7
167.15421	0.9
174.05566	1.2
179.14111	0.8
182.16554	2.0
183.14935	13.9
199.18048	1.1
208.14433	1.2
210.16106	2.1
211.14491	2.7
225.17104	37.7
229.15453	1.9
242.19766	5.8
252.18187	1.0
253.16689	4.0
269.20886	1.2
270.19336	2.4
288.20352	1.0
313.31039	0.9
324.22900	1.0
336.10791	1.5
338.25507	1.2
355.28061	3.5
366.25012	1.7
383.27704	4.6
401.28873	4.0
481.31042	4.4
498.34036	100.0
499.34604	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	498.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56368	0.3
55.05512	2.4
57.07077	0.8
58.06602	23.3
60.04530	5.5
67.05505	4.4
69.03450	0.3
69.07071	3.7
69.24316	3.4
71.04977	0.6
72.08151	1.7
79.05477	1.9
81.07058	7.1
83.04994	1.2
83.08621	2.0
85.06524	0.9
91.05477	2.3
93.07046	4.4
95.04959	0.4
95.08612	8.7
96.08994	0.3
97.06543	0.9
97.10159	1.8
99.08105	1.3
100.07619	7.4
105.07036	4.1
107.08602	6.0
107.10590	0.3
109.06439	0.4
109.10153	9.2
109.10851	0.7
111.08073	0.7
117.07043	0.6
119.08578	6.5
121.10143	6.9
121.10945	0.6
123.08075	1.4
123.11704	4.7
125.09667	0.8
126.02129	0.3
126.12807	0.6
127.11147	0.6
129.07008	0.5
131.08539	2.2
133.10115	5.6
135.11708	3.9
137.09598	0.6
137.13277	1.3
139.11147	1.0
143.08508	1.7
145.10107	3.4
147.10472	0.5
147.11681	4.7
149.09573	0.5
149.13293	2.8
151.11198	0.8
157.10086	2.6
159.11696	3.8
161.13272	3.4
163.14833	1.0
165.12776	1.1
169.10133	1.1
171.11668	3.0
173.13258	2.8
173.14458	0.3
175.11195	1.1
175.14803	1.6
177.12770	0.9
177.16406	0.9
183.11703	0.9
185.13226	2.7
187.14807	2.7
189.12727	0.9
189.16368	2.6
191.14427	0.4
191.17912	0.8
197.13315	2.0
199.14740	2.0
201.12695	0.8
201.16444	1.1
203.14417	0.7
203.17926	1.8
211.14796	1.0
212.15508	0.4
213.16371	1.8
215.14391	0.7
215.17978	0.9
217.15959	0.5
217.19461	2.1
222.14880	0.4
225.16524	0.6
227.18021	1.4
229.19533	1.4
231.17471	1.3
231.20975	0.3
239.17964	0.7
241.19563	1.0
243.17435	0.6
243.21124	0.5
245.18965	2.3
253.19493	0.9
255.21048	2.0
257.19046	1.4
267.20969	0.8
271.20663	1.6
273.22156	1.1
281.22742	0.4
285.22141	1.3
297.22159	0.6
311.23505	0.5
323.27344	1.1
339.26831	0.9
341.28363	2.6
365.28549	0.8
421.34613	1.2
438.30200	0.4
438.37564	0.4
439.35724	11.1
498.39441	100.0
499.39819	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	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
55.51204	0.7
57.07077	34.4
59.04972	0.8
66.83567	0.6
67.05495	0.9
69.07059	2.7
70.54115	1.7
70.54462	1.2
70.98359	0.6
71.08632	25.6
73.06558	6.2
80.32485	0.6
81.07062	2.0
83.08614	2.1
85.10184	19.3
87.04456	2.7
89.06032	100.0
91.05431	0.8
91.07565	0.9
95.08634	1.2
96.08955	0.7
97.10194	3.7
99.11752	4.7
107.07088	1.8
107.08573	0.9
113.13284	1.8
117.09158	3.5
121.10131	0.8
130.08652	1.5
133.08606	49.4
135.10121	1.0
143.08652	0.7
155.06622	0.7
155.17949	3.6
161.11795	0.8
177.11229	19.5
177.12706	1.3
195.12302	1.4
199.20619	4.3
212.08226	1.0
213.09200	1.2
214.09625	0.9
221.13933	3.8
226.10089	0.8
239.14893	2.6
240.23036	0.9
241.08812	1.0
242.09000	1.1
243.23201	7.8
243.55464	0.8
255.10251	3.3
256.10489	4.1
265.16287	0.9
283.17676	1.4
287.25833	4.4
327.20105	8.0
354.61081	0.7
481.37369	10.8
498.19162	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	499.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26896	1.2
52.97741	1.2
56.96560	5.1
61.02916	1.6
68.82724	1.5
69.03426	4.0
69.52876	1.5
70.99867	2.0
71.47788	1.8
73.57610	1.5
81.03411	1.9
82.99870	4.0
84.96048	1.7
85.02911	5.7
86.09683	1.4
86.99326	1.5
97.02900	3.9
98.97585	24.4
101.00882	26.0
103.02461	3.4
107.04966	11.0
108.05305	3.1
110.79913	1.5
110.97565	6.8
112.99140	3.4
113.00877	11.4
115.02422	2.2
116.98614	4.8
119.01931	22.1
127.02431	18.6
127.03242	2.3
127.04014	1.6
128.98599	4.8
129.00304	1.9
131.00233	2.6
131.01920	12.4
133.03484	3.4
139.02419	2.8
143.00189	3.4
143.01900	31.5
145.03461	38.6
147.01407	2.0
152.98560	1.7
155.01888	36.7
155.05428	1.7
156.98074	3.1
157.03479	18.1
158.99693	7.3
159.05060	1.8
161.01201	1.3
161.01628	1.9
161.02969	19.9
163.04501	7.0
167.01903	19.1
169.03467	9.3
170.99686	4.7
171.01369	6.9
171.05040	5.0
173.01436	2.5
173.02960	41.3
174.99124	6.7
175.04524	4.4
177.00679	3.0
179.01909	5.3
181.03529	3.1
181.05702	1.5
182.99687	4.7
185.02953	44.9
187.04532	4.3
189.00862	2.7
189.02431	6.5
191.02283	2.5
191.04010	5.9
193.00240	1.9
193.03642	2.2
197.02985	19.5
199.00880	3.5
199.04535	4.4
201.00783	8.6
201.02432	2.2
203.04019	14.5
205.03847	2.0
205.05524	7.1
209.03030	6.0
211.00850	1.6
215.04015	7.0
217.00223	3.0
217.01973	44.2
217.05408	14.6
219.01782	9.7
219.07141	2.7
221.05092	6.4
227.03966	10.4
229.01967	7.7
229.05592	3.8
231.01761	2.3
231.07095	2.5
233.05086	1.9
235.03003	8.4
235.06544	2.8
237.02859	6.1
239.04095	1.7
241.05580	3.1
243.01776	4.4
245.05092	100.0
247.02991	11.5
247.06671	4.7
257.05078	14.4
258.04715	1.9
259.06592	2.8
261.02823	10.6
263.06122	11.3
275.06168	21.4
275.09021	2.7
277.04135	13.1
277.07614	3.6
279.03943	5.3
287.05496	2.1
291.04004	1.9
293.07339	4.1
301.04129	7.6
305.07217	10.4
307.08850	24.3
319.05237	18.0
319.08569	3.5
321.05103	7.4
324.99908	1.9
328.11523	2.6
335.08197	4.4
337.06027	16.6
337.09821	6.6
344.52823	1.5
355.09344	1.5
365.09262	10.5
455.13217	1.9
455.20004	6.7
481.09808	3.6
499.10822	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	499.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26896	1.2
52.97741	1.2
56.96560	5.1
61.02916	1.6
68.82724	1.5
69.03426	4.0
69.52876	1.5
70.99867	2.0
71.47788	1.8
73.57610	1.5
81.03411	1.9
82.99870	4.0
84.96048	1.7
85.02911	5.7
86.09683	1.4
86.99326	1.5
97.02900	3.9
98.97585	24.4
101.00882	26.0
103.02461	3.4
107.04966	11.0
108.05305	3.1
110.79913	1.5
110.97565	6.8
112.99140	3.4
113.00877	11.4
115.02422	2.2
116.98614	4.8
119.01931	22.1
127.02431	18.6
127.03242	2.3
127.04014	1.6
128.98599	4.8
129.00304	1.9
131.00233	2.6
131.01920	12.4
133.03484	3.4
139.02419	2.8
143.00189	3.4
143.01900	31.5
145.03461	38.6
147.01407	2.0
152.98560	1.7
155.01888	36.7
155.05428	1.7
156.98074	3.1
157.03479	18.1
158.99693	7.3
159.05060	1.8
161.01201	1.3
161.01628	1.9
161.02969	19.9
163.04501	7.0
167.01903	19.1
169.03467	9.3
170.99686	4.7
171.01369	6.9
171.05040	5.0
173.01436	2.5
173.02960	41.3
174.99124	6.7
175.04524	4.4
177.00679	3.0
179.01909	5.3
181.03529	3.1
181.05702	1.5
182.99687	4.7
185.02953	44.9
187.04532	4.3
189.00862	2.7
189.02431	6.5
191.02283	2.5
191.04010	5.9
193.00240	1.9
193.03642	2.2
197.02985	19.5
199.00880	3.5
199.04535	4.4
201.00783	8.6
201.02432	2.2
203.04019	14.5
205.03847	2.0
205.05524	7.1
209.03030	6.0
211.00850	1.6
215.04015	7.0
217.00223	3.0
217.01973	44.2
217.05408	14.6
219.01782	9.7
219.07141	2.7
221.05092	6.4
227.03966	10.4
229.01967	7.7
229.05592	3.8
231.01761	2.3
231.07095	2.5
233.05086	1.9
235.03003	8.4
235.06544	2.8
237.02859	6.1
239.04095	1.7
241.05580	3.1
243.01776	4.4
245.05092	100.0
247.02991	11.5
247.06671	4.7
257.05078	14.4
258.04715	1.9
259.06592	2.8
261.02823	10.6
263.06122	11.3
275.06168	21.4
275.09021	2.7
277.04135	13.1
277.07614	3.6
279.03943	5.3
287.05496	2.1
291.04004	1.9
293.07339	4.1
301.04129	7.6
305.07217	10.4
307.08850	24.3
319.05237	18.0
319.08569	3.5
321.05103	7.4
324.99908	1.9
328.11523	2.6
335.08197	4.4
337.06027	16.6
337.09821	6.6
344.52823	1.5
355.09344	1.5
365.09262	10.5
455.13217	1.9
455.20004	6.7
481.09808	3.6
499.10822	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75862	1.0
56.96569	1.5
58.99839	1.2
68.09159	1.0
69.41678	3.7
69.42104	4.7
81.03409	1.6
82.99882	4.3
85.01416	1.9
85.02921	1.8
86.99366	1.1
94.99867	1.9
97.02909	1.6
98.97581	4.7
101.00882	22.8
103.02445	4.3
105.00390	1.1
109.02917	1.6
110.97550	1.2
113.00866	8.4
115.02474	1.5
119.01923	21.9
121.03500	1.7
127.02411	17.3
127.03840	1.6
131.01923	18.1
133.03450	2.2
137.00897	1.3
139.02394	5.7
143.01904	28.9
145.03467	45.7
147.01440	2.8
149.03004	1.6
153.04045	1.4
155.01895	36.1
157.03477	18.2
159.05077	1.5
161.02956	18.6
163.04530	4.9
167.01895	14.7
169.03459	7.9
171.01369	9.2
171.05057	4.2
173.02963	46.6
175.04535	3.7
179.01895	6.3
181.03430	2.5
183.01450	2.0
185.02957	49.7
187.04539	4.3
189.02440	8.1
191.01897	1.4
191.04053	1.2
197.02972	18.9
199.00905	5.6
199.04497	5.5
201.00682	1.8
201.02449	2.3
203.04005	14.7
205.05643	3.6
209.02991	3.8
215.04051	9.7
217.01952	62.0
217.05591	5.4
219.01814	3.5
221.03030	1.2
221.05034	5.3
225.02565	1.2
227.04030	11.1
229.01945	10.3
229.05577	1.8
235.02979	14.8
239.04172	1.2
241.05586	2.0
245.05083	100.0
246.05289	2.1
247.03015	15.7
247.06805	1.9
257.05090	13.3
259.03009	1.5
259.06970	1.5
261.02893	1.6
263.06186	11.1
265.04123	1.6
275.06116	18.3
277.04062	18.9
293.07193	3.9
301.04105	9.5
305.07095	11.1
307.08737	17.8
319.05106	27.2
335.08167	4.9
337.06140	27.4
337.10013	2.5
365.09335	11.2
455.20465	1.4
462.90784	1.1
481.10205	2.0
499.11374	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	499.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
60.56656	0.4
64.23830	0.4
65.03924	0.6
67.05476	0.6
69.03420	1.2
69.61032	1.5
69.61456	1.5
74.01656	0.5
79.05469	0.9
81.03418	1.4
81.07073	0.7
83.04977	0.6
85.02902	1.4
90.95879	0.4
91.05480	1.2
91.33086	0.5
93.07027	0.9
95.04955	1.9
95.08601	0.9
97.06496	0.6
99.00832	0.6
99.04435	0.8
99.08396	0.5
105.03406	0.7
105.07028	1.9
106.06554	1.9
107.04962	9.9
108.91105	0.5
109.02850	2.2
109.06507	0.7
109.10117	0.5
113.51633	0.4
119.04972	0.6
119.08556	0.7
121.02879	16.6
121.06509	0.5
121.10131	0.6
127.03925	0.5
131.04898	0.7
131.08562	0.5
133.02856	0.4
133.06494	0.6
133.10135	0.7
137.05981	1.6
140.86592	0.4
141.06946	0.6
145.10092	0.8
147.04417	0.9
153.06995	0.8
159.11699	0.8
161.02142	0.5
165.01788	1.0
165.07019	0.5
169.06467	0.8
171.08177	0.6
173.06007	1.7
173.09637	0.9
177.01819	5.3
183.02907	0.7
183.04430	4.1
183.05879	0.6
187.11212	0.5
195.02913	6.4
201.05496	0.8
205.12099	0.5
209.06009	0.6
215.10670	0.7
227.07011	0.6
229.04988	1.7
237.05525	1.5
243.06622	0.7
255.06601	3.1
286.04822	0.7
299.05515	20.2
311.05515	100.0
312.05905	1.9
393.09683	2.1
405.09714	55.3
406.10095	1.5
461.47446	0.5
499.13864	24.1
500.14374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2116
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
54.99392	0.5
55.01826	0.9
67.05444	0.7
71.47977	0.9
78.59930	0.6
79.05407	3.6
81.07000	0.8
91.05413	1.6
93.06965	1.2
95.04880	1.0
103.05475	3.0
104.97993	0.5
105.07046	8.0
107.04884	1.5
107.08447	0.8
109.10082	1.0
117.06976	0.6
119.08525	1.0
120.05693	0.9
121.06490	1.1
130.47742	0.5
133.10132	0.7
135.08055	15.1
136.08310	0.5
137.05978	1.3
141.06911	0.9
145.10098	1.3
147.04422	0.7
149.09608	0.6
151.07518	0.7
152.06148	2.1
153.07028	4.3
157.06454	1.7
165.06972	2.3
167.08463	0.6
169.06418	1.1
170.07286	3.8
171.08078	0.6
180.05725	0.6
181.06487	17.0
182.07312	6.4
183.08066	3.8
185.09589	2.0
187.07561	0.9
192.11497	0.6
195.08072	4.0
196.05136	1.1
197.05998	4.1
198.06775	15.3
199.07361	1.4
209.06039	2.6
210.06638	0.6
211.07492	2.3
212.08229	0.9
213.09100	9.1
225.05450	1.7
226.06192	2.9
227.07208	1.4
239.07002	0.9
241.08609	100.0
242.09247	3.3
255.10370	0.8
257.08087	2.3
269.08142	0.6
299.10413	0.8
302.09293	0.7
316.10590	0.7
327.10239	0.8
329.11841	0.6
331.13269	1.4
332.10324	1.3
344.10565	0.7
345.11353	2.9
346.11865	1.0
359.12912	0.8
363.12180	0.8
377.13821	5.2
391.15698	1.5
481.16711	0.6
499.21323	23.4
500.22171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12973	4.0
53.03940	6.3
55.01862	7.8
55.05516	33.4
57.03438	25.8
57.07077	13.0
60.04526	3.8
61.02929	68.4
65.03934	5.4
67.05505	99.7
69.03427	38.7
69.07066	42.2
69.20070	23.1
69.20494	12.1
71.05002	8.3
71.08644	8.5
73.02924	34.3
73.65957	3.9
79.05491	36.3
81.03427	25.8
81.07059	100.0
83.04978	8.3
83.08625	24.2
85.02437	6.1
85.02914	75.7
88.03992	12.4
91.03960	44.2
91.05474	26.9
93.07047	37.8
95.04956	5.1
95.08615	76.6
97.02901	72.8
97.06525	10.3
97.10164	12.2
98.02637	3.6
98.98483	7.6
99.04443	13.3
99.08077	4.3
101.02386	12.9
103.03944	11.2
103.05490	9.7
105.04544	3.3
105.07045	21.7
106.05042	4.6
107.04913	4.0
107.08598	25.8
109.02882	16.1
109.06539	8.7
109.10173	34.6
111.04484	3.3
111.08131	5.7
115.03944	4.4
117.05489	3.5
117.07037	4.2
119.08562	17.3
121.06500	5.0
121.10160	23.4
123.08068	6.5
123.11737	16.2
125.09640	4.6
127.03906	26.9
129.05518	4.0
131.04927	32.7
131.08560	8.7
133.06479	4.4
133.10143	22.3
135.11702	10.5
137.09521	4.8
137.13248	9.4
139.11198	3.9
145.04968	7.0
145.10124	6.6
147.11716	10.9
149.13240	12.7
155.01122	4.3
156.35074	3.3
159.06715	4.5
159.11726	8.3
161.13292	12.2
163.14883	7.8
165.07095	4.1
165.16418	4.9
167.08519	6.5
173.13330	4.1
175.14847	8.3
178.07903	3.3
183.06584	6.7
185.06030	3.6
187.14784	4.9
197.09636	13.2
221.99008	3.5
225.09084	10.1
229.08658	8.1
241.08676	3.9
245.22624	11.2
253.08650	12.6
263.23758	19.7
305.24661	4.2
314.27682	16.9
325.31656	4.1
335.25931	3.9
337.27353	96.5
337.31183	6.3
394.24066	4.1
407.28073	4.0
439.15295	4.4
451.16409	4.5
481.30731	5.0
499.17517	13.4
499.32388	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	500.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03955	1.6
55.01878	0.3
69.70310	0.5
69.70726	0.7
70.06597	0.8
71.04965	0.2
72.08158	0.5
77.03940	0.4
79.05503	1.3
81.03423	0.3
84.08138	0.3
85.02902	0.3
86.00622	0.3
86.09718	0.5
87.05609	0.2
88.03990	0.4
89.23514	0.2
95.04979	1.1
97.02922	0.2
97.05291	0.2
98.21465	0.4
103.03289	0.4
105.04522	0.5
107.04962	100.0
108.05281	1.1
112.15593	0.2
120.08118	0.2
127.03258	3.3
129.09395	0.2
173.03770	0.6
186.01567	7.1
232.02112	26.9
307.79721	0.2
394.07458	0.7
456.23026	0.2
500.11462	0.5
500.21671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	1.1
55.05511	0.3
69.03418	1.2
71.48475	0.4
77.03915	0.3
79.05495	0.5
81.03423	1.6
85.02894	1.0
85.06553	0.5
91.05486	0.4
95.05002	0.9
97.02895	1.1
97.06506	0.3
103.05474	30.6
104.05805	0.4
105.04516	0.3
105.07084	0.4
107.04960	1.6
109.02863	0.4
119.08579	0.6
127.03928	0.7
131.04935	100.0
132.05281	1.6
145.10175	0.3
148.28459	0.3
149.06003	5.2
156.98878	0.3
169.02296	0.3
209.15382	0.3
275.09225	0.9
293.10162	3.2
409.97302	0.3
431.23804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93556	0.3
57.03428	0.4
61.83958	0.3
66.36317	0.3
69.03421	0.8
69.65250	1.8
70.06589	1.0
72.08176	0.3
81.07011	0.3
84.08121	0.3
85.02907	1.5
86.09697	0.3
91.05492	0.9
93.00359	0.3
94.04190	1.5
97.02897	0.4
98.21532	0.4
107.04941	1.0
110.07155	0.3
112.07587	0.3
122.03664	3.8
137.05983	100.0
138.06328	1.2
142.08653	0.3
147.04399	0.7
149.06007	1.0
151.07599	0.6
153.07008	0.7
157.28198	0.3
169.81520	0.3
178.18060	0.3
179.07059	1.1
181.06474	1.7
209.05951	0.5
213.09087	1.0
241.08626	1.1
253.08685	0.6
273.11197	5.0
285.11270	1.5
303.12302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
57.76520	0.4
63.98114	0.4
69.03425	1.3
70.93419	1.2
71.34889	0.4
77.03903	0.6
81.03406	1.2
81.07039	0.7
85.02907	1.2
85.06542	1.2
91.05543	0.4
97.02887	2.6
103.05466	24.2
105.07037	0.9
107.04942	2.5
109.02898	0.5
131.04929	100.0
132.05240	1.6
136.20032	0.4
145.08626	1.0
149.05980	2.5
159.15941	0.4
197.05952	0.6
206.12495	0.6
216.10960	0.5
225.05576	0.8
257.08154	0.7
258.08447	0.7
266.47620	0.5
293.10190	3.0
309.00388	0.4
396.02679	0.4
468.15152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03942	0.9
53.76745	0.2
55.01862	0.4
55.05511	0.2
67.05494	0.8
68.93963	0.2
69.03432	0.3
69.07065	0.3
70.06581	0.4
71.05009	0.3
71.48714	0.3
77.03915	0.3
78.68040	0.2
79.05492	1.4
81.03403	0.5
81.07053	0.7
85.02897	0.5
91.05479	0.8
93.07051	2.6
95.04971	2.0
95.08599	1.6
96.33139	0.2
97.02927	0.2
97.06528	1.8
98.79584	0.2
99.04449	0.6
105.04529	0.4
105.07041	0.7
107.04958	100.0
107.08600	0.6
108.05293	0.9
109.02856	0.3
109.06554	0.3
109.10175	3.3
117.07014	0.3
119.08630	1.2
121.06502	1.7
123.11676	0.2
131.04962	0.3
133.06473	0.2
133.10143	0.6
135.11717	0.3
135.61147	0.2
137.05974	0.4
137.09634	1.5
143.08562	0.4
145.06462	0.2
145.10127	0.4
155.10669	11.2
159.11713	0.2
161.09628	2.4
161.16483	0.3
173.09612	0.3
174.09976	0.4
179.10652	1.8
181.12102	0.2
187.11133	0.3
190.79004	0.3
197.11731	6.1
197.13487	0.4
197.23827	0.2
215.12788	21.0
233.11491	0.3
234.12209	0.4
247.07002	0.2
270.17780	0.3
271.18158	0.3
464.13010	0.2
500.28485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00535	1.2
55.01635	1.3
55.01875	15.9
55.05508	1.6
57.07075	1.6
64.24995	1.0
67.05502	5.6
67.56120	1.0
68.05022	2.8
69.03416	1.5
69.07068	5.8
70.02952	2.5
70.06602	9.3
71.04996	18.1
71.33433	1.7
74.74084	1.3
79.05503	6.9
80.05022	1.3
81.07049	4.8
83.04986	1.0
84.08148	1.4
86.06064	1.3
88.04404	1.0
91.05473	2.2
93.07036	3.8
94.06574	2.2
95.04977	1.1
95.08590	3.7
96.08124	4.9
97.06533	14.5
97.36626	1.1
98.09711	9.2
105.07018	2.1
106.06551	3.2
106.76300	0.9
107.08612	2.5
108.08117	5.0
109.10163	2.1
119.08572	1.5
120.08131	3.0
122.06028	14.5
124.07597	26.5
134.09529	1.5
135.08092	1.7
136.07584	61.8
140.07080	23.8
148.07553	3.4
148.11162	1.3
152.07053	2.4
153.07802	3.0
171.49713	1.2
176.14331	3.6
194.15457	5.8
204.13820	14.1
222.14902	100.0
240.15907	4.2
283.26358	3.6
316.27396	1.1
395.07050	1.1
482.36334	46.2
500.46689	3.6
504.83664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.4
55.05490	0.6
67.05467	1.5
69.03403	1.5
69.07029	1.7
70.06561	1.4
71.48705	0.6
72.08154	0.4
79.05449	1.7
81.03405	0.6
81.07048	3.3
84.08121	0.6
85.02903	2.3
86.09674	1.6
91.05445	1.6
91.09936	0.4
93.07030	3.2
94.06581	0.8
95.04947	1.9
95.08615	2.9
97.02847	1.0
97.06483	0.9
99.04464	0.7
105.06986	1.4
107.04961	28.5
107.08571	1.4
109.06506	0.7
109.10119	1.7
111.08073	1.2
119.08555	1.5
120.04336	0.5
120.08094	0.7
121.10088	1.8
123.11664	1.2
127.03879	0.6
131.04922	0.6
131.08566	0.5
133.10101	0.9
135.11746	0.5
136.07582	9.9
137.05968	0.6
137.09621	5.9
139.11154	0.6
145.10092	1.2
147.11612	0.6
149.09612	0.5
151.11140	0.8
154.08684	2.2
160.57455	0.5
166.08682	1.0
167.10698	0.5
175.14799	0.7
185.04150	2.3
191.14087	0.5
197.08264	0.5
198.09102	1.4
199.09920	4.0
199.14816	0.6
200.10721	1.4
212.10721	5.9
213.11449	1.8
215.17831	0.6
222.41202	0.4
226.12296	2.9
245.26839	0.5
254.11792	3.4
257.10471	9.1
260.12799	5.8
272.12820	100.0
273.13239	2.4
291.22910	0.6
303.23184	1.5
321.11633	0.6
321.24130	2.2
338.03842	2.6
339.04742	4.9
366.17023	6.3
395.19373	0.6
459.08142	0.6
501.10104	30.7
502.10403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75644	3.9
53.03941	6.7
55.01863	6.3
55.05503	22.8
57.03432	9.7
57.07087	5.1
61.02913	7.8
67.05186	7.3
67.05509	85.8
69.03413	12.3
69.07064	18.0
70.06575	4.9
71.05002	6.3
73.02914	4.0
79.05499	68.0
81.03409	4.6
81.07065	100.0
83.08620	16.1
85.02912	11.1
85.06559	7.0
91.03979	4.3
91.05490	43.6
91.28353	4.0
93.07056	66.2
94.07824	4.9
95.04974	12.9
95.08064	7.4
95.08613	85.5
97.02888	7.1
97.06535	6.1
98.98499	4.7
103.03957	5.3
105.07037	38.7
107.04945	31.9
107.08603	57.8
109.06500	12.7
109.10160	55.6
111.08046	4.8
117.07023	17.4
119.08578	34.9
121.10159	44.3
123.04445	23.1
123.08089	5.5
123.11695	19.4
129.06955	7.1
131.08591	25.8
133.06520	4.5
133.10138	25.2
135.08093	8.1
135.11746	33.6
142.07721	3.9
143.08611	10.6
145.10146	28.4
147.11707	21.3
149.09605	6.5
149.13248	27.9
157.10143	8.4
159.08034	5.9
159.11711	24.7
161.13264	14.4
163.14879	6.7
171.11659	10.2
173.13281	18.6
183.11746	5.2
187.14790	9.2
229.19519	30.0
243.06575	5.9
247.20622	61.8
256.24594	4.3
265.21750	5.7
289.21790	5.0
321.24164	27.0
339.25244	14.6
355.22421	8.0
465.10913	4.2
483.29755	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	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01868	7.5
55.05510	60.2
57.03443	28.4
57.07081	45.3
65.03936	4.0
67.05506	77.4
69.03432	4.2
69.07068	76.6
71.04993	5.4
71.08629	29.5
73.06545	3.9
75.04483	13.1
76.00690	2.9
79.05488	30.3
81.07056	100.0
83.04974	5.9
83.08617	57.5
84.29425	2.9
85.06542	5.7
85.10159	17.6
87.09994	3.0
91.05470	13.6
93.07047	41.5
95.04951	3.0
95.08606	87.9
97.06527	16.2
97.10165	41.4
99.04473	3.1
99.08075	3.8
105.07005	7.9
107.04939	7.8
107.08582	30.0
109.10155	44.1
111.08083	10.3
111.11706	16.8
113.05974	5.4
119.08570	9.1
121.10144	35.4
123.11739	20.2
125.09655	12.4
125.13284	3.7
131.07053	4.5
131.08559	7.2
133.10118	7.9
135.07996	3.2
135.11699	27.6
137.13258	9.5
139.11183	10.3
145.10132	6.2
147.11725	7.8
149.13280	14.4
153.12741	8.0
157.06474	4.5
157.12221	4.6
159.08119	3.2
159.11690	5.2
161.13242	3.5
163.14778	9.9
167.14349	7.3
171.08078	3.9
173.13243	4.0
177.16409	8.6
181.15851	4.6
187.14787	3.6
191.17918	3.3
199.16942	3.5
214.25996	3.1
223.20625	2.8
237.22214	2.8
245.08089	8.2
289.29025	8.8
291.95294	2.8
307.29861	18.3
317.28238	16.1
335.29471	31.2
351.57492	2.9
353.30930	4.0
367.26212	5.7
371.31534	78.9
409.33136	52.1
427.34213	62.9
483.36755	25.4
501.37930	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01878	100.0
55.05511	19.2
56.33611	3.1
57.03427	8.8
57.07067	5.2
61.85257	2.6
67.05514	77.0
68.83214	2.4
69.07061	13.4
70.06608	3.3
70.98769	7.0
71.04996	10.4
71.08630	2.7
75.05083	3.0
79.05495	37.9
81.07062	78.2
83.01336	3.4
83.08601	7.8
91.05508	14.7
93.07048	50.4
95.01309	7.2
95.04942	3.5
95.08068	4.7
95.08619	61.2
97.06535	4.4
98.98477	5.0
99.04464	10.4
105.07037	18.1
107.08580	24.7
108.85741	2.7
109.10162	32.0
111.00802	17.7
115.03949	3.8
117.07009	7.7
119.08575	18.3
121.10133	20.7
123.08088	4.5
123.11710	22.7
129.09099	2.9
131.08551	12.7
132.60310	2.8
133.10107	13.2
135.11694	21.3
137.09581	2.9
137.13269	5.7
143.03400	27.6
145.10144	8.9
147.11678	8.3
149.13248	11.5
155.03403	13.3
159.11670	13.4
161.13263	11.0
163.14801	4.1
171.02887	59.8
171.11731	3.6
173.13239	13.6
179.14282	6.5
185.13219	3.7
187.14780	4.5
192.89621	3.0
195.00333	3.6
200.20096	10.7
201.16394	5.3
202.98224	2.9
239.39870	3.3
243.21031	13.0
259.20581	8.9
261.22192	35.6
275.20071	6.2
277.21533	7.8
279.23267	18.0
331.26245	4.4
353.20859	4.6
371.22263	4.0
399.21490	4.9
413.23477	3.8
431.24161	3.8
449.25412	33.7
467.26349	13.4
502.37241	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	502.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.9
57.03431	6.4
57.07080	6.5
64.55025	4.1
67.05508	91.5
69.03429	5.2
69.07064	24.9
69.47240	26.5
73.02922	38.0
79.05495	58.6
81.07059	98.2
83.08627	11.1
85.06557	5.4
91.05483	31.3
93.07045	74.9
95.08615	92.1
97.06483	5.3
105.07034	26.0
107.08601	43.6
109.06496	6.3
109.10167	44.1
110.79076	4.0
111.08080	5.3
113.09634	4.9
117.07030	10.7
119.08595	27.4
121.10145	47.8
123.11720	20.8
125.09700	4.1
131.08600	24.1
133.10114	14.3
134.37247	3.5
135.11728	30.6
137.09615	4.2
137.13266	7.3
145.10129	20.0
147.11662	11.2
147.39165	4.5
149.13281	24.4
154.49344	3.3
159.01979	4.4
159.11684	20.1
161.13260	16.6
163.14819	22.1
165.12735	6.9
165.88498	3.7
173.13313	19.0
175.14856	4.8
175.72739	4.1
177.16351	5.5
179.14339	4.5
187.14871	11.3
203.49373	4.7
243.21065	33.7
261.22150	100.0
279.23227	5.5
335.25854	32.8
353.26862	29.5
422.66074	4.2
456.20544	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	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.4
56.80626	5.4
57.03424	16.8
57.07077	43.1
63.79803	4.2
67.05186	6.6
67.05510	93.8
69.07055	7.9
71.08636	25.8
71.49035	5.2
73.04756	8.0
79.05474	4.7
81.07052	21.9
81.34077	4.1
83.08614	15.2
85.06528	5.8
85.10170	17.8
89.05965	4.1
91.05428	6.4
93.07053	9.7
95.08597	27.1
108.88137	4.5
109.10158	98.4
119.08576	7.6
121.10162	5.7
123.11691	5.7
134.00194	4.9
137.09431	4.2
155.10654	4.2
160.50609	4.9
167.05556	8.9
173.11766	26.6
223.32954	4.0
229.14322	96.6
239.23718	5.0
273.66418	4.0
299.06085	9.5
313.27371	100.0
344.97610	8.4
467.37347	61.8
487.06863	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	502.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69191	3.0
55.05509	22.5
57.07077	23.9
57.61395	3.0
67.05505	24.5
67.93290	3.0
69.07072	38.2
69.72543	9.3
69.72946	6.9
70.87011	3.1
71.08621	3.9
76.68522	3.2
79.05493	20.6
81.07056	71.6
83.08611	35.7
85.10182	7.0
91.05486	15.9
93.07043	56.4
95.08611	91.4
97.06516	3.9
97.10161	8.5
105.07037	36.2
107.08598	100.0
109.10158	59.2
111.11723	8.0
117.07010	8.6
119.08599	41.5
121.06504	5.9
121.10136	40.2
123.08058	5.4
123.11710	30.1
131.08569	19.0
133.06528	4.2
133.10123	31.4
135.08052	11.4
135.11682	21.4
137.13275	20.6
139.07550	3.4
143.08571	7.0
145.10121	18.0
147.08026	6.0
147.11664	23.8
149.09615	16.7
149.13226	17.5
153.09122	14.3
157.10153	4.2
159.08127	3.0
159.11696	19.4
161.09596	7.1
161.13245	23.0
163.11176	4.9
163.14825	36.7
165.09206	5.6
167.10649	24.8
171.11703	6.9
173.13205	16.1
175.14822	11.1
177.09087	4.7
177.16396	6.8
179.10686	4.3
181.12271	3.9
185.13217	5.3
187.14862	24.5
189.16400	6.4
191.14389	4.1
199.14934	4.8
201.16396	5.5
205.15892	40.9
207.17465	7.2
209.15373	6.9
213.16180	3.6
215.14273	4.4
217.15854	5.0
219.21083	4.8
223.16937	45.0
233.15366	11.9
235.16931	8.4
243.21126	4.5
245.22557	3.2
247.17151	3.8
250.53072	3.4
261.22147	4.7
263.23654	5.0
329.24722	11.4
369.28168	3.9
411.32404	5.9
467.38818	48.5
485.39722	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	503.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01846	0.3
55.05490	0.2
57.03429	0.2
59.90128	0.1
61.02907	0.4
64.42950	0.1
65.03909	0.1
67.05493	0.2
68.99781	0.3
69.03433	1.8
69.07040	0.2
71.04987	0.2
73.02896	0.3
79.05482	0.3
81.03429	1.4
81.07028	0.4
85.02442	0.2
85.02909	2.5
87.00836	0.8
91.05466	0.3
93.07027	0.2
93.28837	0.1
95.08576	0.3
97.02904	0.7
97.06480	0.1
98.20704	0.3
99.04432	0.5
105.01849	0.4
105.07024	0.2
107.04929	0.6
107.08561	0.3
109.02869	0.9
109.10132	0.3
117.07036	0.1
119.04939	0.1
121.10155	0.1
127.03945	1.4
129.06952	0.3
131.04893	0.4
133.06511	0.2
135.08047	0.1
135.11606	0.2
137.05997	0.7
141.06972	0.4
142.07759	0.2
143.08546	0.3
145.04933	0.2
147.03015	0.1
147.04385	0.4
149.05948	0.3
152.06219	0.9
153.07019	0.3
153.12726	0.4
155.08511	0.3
156.09367	0.2
157.06451	0.3
157.10181	0.2
159.02898	0.4
161.05946	0.5
162.06743	0.1
163.07550	1.0
165.06990	1.5
166.07837	0.9
167.08575	3.8
169.06468	1.0
169.10089	0.2
170.07140	0.2
171.08006	0.2
171.11739	0.2
171.13751	0.2
173.05980	0.2
175.07520	0.3
176.06235	0.3
177.06969	0.9
178.07571	0.2
179.08540	0.6
181.06508	1.1
181.10094	0.4
182.07246	0.5
183.08058	0.5
184.05151	0.2
184.08821	1.0
185.05997	0.2
185.09702	0.2
185.93161	0.2
186.06764	0.2
187.07458	0.2
191.08586	0.3
194.07259	1.9
195.08070	5.7
196.08818	1.9
197.05984	4.3
197.09634	0.5
198.06711	0.6
199.07547	0.4
199.11171	0.5
201.09122	0.2
205.06523	0.7
206.07333	0.2
207.08127	0.2
209.06168	0.2
209.09637	2.1
210.06781	0.4
210.10396	0.2
211.07547	3.1
212.08327	9.8
213.08902	0.4
219.08023	0.2
221.05971	0.7
222.06743	1.2
223.07553	4.6
224.08333	2.2
225.05363	0.7
225.09114	0.4
227.10681	8.5
228.11096	0.2
235.07544	0.1
235.32320	0.1
235.35107	0.1
237.09119	3.2
238.09952	0.8
239.07045	2.1
240.07820	35.8
241.08389	1.0
253.08640	0.8
254.09262	0.2
255.10165	100.0
256.10538	1.7
265.08630	0.5
279.10150	0.3
297.11139	0.7
417.15524	3.0
440.24432	0.2
459.16721	0.7
485.14502	1.2
503.15515	8.0
504.15872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50087	0.3
55.01861	0.4
55.75166	0.4
57.03418	0.5
59.16932	0.3
61.02913	0.3
67.85606	0.4
69.03424	1.9
69.07059	0.6
69.74473	0.7
69.74827	1.9
73.02934	0.4
77.96569	0.3
79.05473	0.5
81.03413	1.5
81.07040	1.2
85.02905	2.7
87.00835	0.8
91.05486	0.9
93.07039	0.6
95.08625	0.8
97.02876	1.0
98.20796	0.4
103.44666	0.3
105.07019	0.5
107.04957	1.3
107.08585	0.5
109.02857	1.0
109.10139	0.8
114.77234	0.4
119.08558	0.5
123.11754	0.4
127.03896	1.3
131.04919	0.7
137.05991	3.0
144.45245	0.4
147.04472	0.6
152.06160	0.6
161.06020	0.5
163.07585	0.9
165.06996	1.4
166.07777	0.9
167.08583	4.4
169.06456	0.9
171.04343	0.4
175.07512	1.0
177.06938	0.7
179.08563	0.4
181.06465	0.8
181.10118	0.4
183.08076	0.5
184.08807	1.1
185.09483	0.3
194.07263	1.6
195.08049	4.9
196.08858	1.4
197.05995	4.2
197.09737	0.4
198.06639	0.5
199.07584	0.4
199.11171	0.6
205.06561	0.6
209.09627	1.1
210.06926	0.4
211.07541	2.3
212.08348	9.0
221.05997	0.6
222.06763	0.6
223.07600	5.1
224.08394	2.2
225.05531	0.4
225.09081	0.6
227.10674	7.5
237.09128	2.5
238.09863	0.8
239.07060	2.0
240.07811	32.3
241.08290	1.0
251.10609	0.5
253.08696	0.6
255.10170	100.0
256.10553	2.1
260.05157	0.4
265.08606	0.6
279.10034	0.4
297.11246	1.1
305.24899	0.5
311.12939	0.5
323.12762	0.4
417.15402	2.8
418.15121	0.4
459.16510	0.6
475.13885	0.4
485.14627	1.4
503.15448	8.1
504.16156	0.3
511.15582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05509	2.0
58.88137	1.3
67.05516	2.2
69.03424	4.8
69.07079	2.4
70.06593	3.1
71.48021	2.2
79.05495	4.1
81.03426	3.5
81.07064	6.8
83.04971	2.2
84.08173	1.7
85.02922	7.8
87.00821	1.6
91.05491	4.6
93.07060	4.0
95.04963	4.3
95.08599	5.1
97.02901	2.6
97.06533	2.2
97.50939	1.2
103.05434	2.0
105.07037	3.0
107.04962	100.0
107.08592	3.2
109.02890	3.3
109.06517	2.6
109.10171	3.4
115.05516	1.4
119.08599	3.6
121.06555	2.0
121.10155	2.7
123.04467	1.3
125.13276	1.5
127.03924	4.3
130.06541	22.2
131.04942	6.6
131.08556	1.8
132.08109	3.8
133.06471	1.6
133.10097	1.9
135.11667	2.8
137.05983	24.9
141.06929	1.8
142.06554	1.9
143.08575	1.7
145.06407	1.5
145.10086	2.0
146.05986	3.7
147.11646	1.5
159.07993	2.1
159.09183	19.7
159.11685	2.1
160.07545	1.8
161.05978	5.0
161.13231	2.1
170.06021	7.2
171.11636	1.7
174.85110	1.5
175.07570	8.4
177.75896	1.4
184.07605	3.6
185.07111	8.5
187.07497	4.0
188.07076	12.4
191.08562	2.9
195.08000	2.0
200.07021	2.4
201.10295	3.6
207.08144	1.4
211.07471	1.5
212.08369	1.7
219.08096	2.7
227.08206	17.2
231.07855	2.3
236.10712	6.4
237.09035	2.0
240.07884	3.7
245.09215	26.7
246.09854	1.6
247.07521	2.5
247.10768	1.7
248.08220	1.7
248.10678	1.9
251.10663	3.2
255.10167	26.0
265.08572	2.2
273.06418	1.6
273.08759	14.3
279.10236	4.5
291.09772	62.1
303.09888	1.9
311.12808	4.4
323.12753	5.8
339.11749	1.5
345.11185	2.3
380.05414	1.7
397.13852	6.3
404.73764	1.8
503.14105	2.0
503.21246	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69845	0.9
53.03938	3.2
53.17981	0.8
55.01869	2.4
57.03427	3.5
59.25402	1.0
61.02922	2.3
61.18858	0.8
64.45117	0.8
65.81495	0.8
69.03435	22.4
69.07040	1.2
70.06605	7.6
71.04996	5.4
71.21539	1.2
71.21883	1.6
72.08175	4.2
74.06030	1.1
79.05499	1.8
81.03425	19.7
81.07059	0.9
84.04509	2.0
84.08131	3.6
85.02445	1.3
85.02917	17.4
86.09711	10.4
87.04477	1.7
87.05601	1.3
91.05455	1.9
93.07037	2.3
97.02892	7.7
99.04472	6.0
105.07027	2.5
107.04982	4.2
109.02871	2.3
109.06507	2.7
110.07175	1.4
111.04443	4.1
117.05460	1.6
119.08566	1.5
121.06465	1.6
121.10163	8.4
123.07982	1.1
127.03962	4.8
127.04849	0.8
131.08549	0.8
133.07591	4.2
136.60696	0.8
137.06021	4.8
143.11784	1.3
145.04971	1.5
149.09631	34.0
153.05504	5.0
161.07111	5.9
163.08690	4.5
167.10669	8.1
173.13138	1.5
178.04994	1.6
179.08145	1.7
183.42516	1.2
189.06573	7.7
191.08272	5.3
191.14268	3.0
207.07668	100.0
209.15305	2.3
213.12445	1.3
243.58690	0.9
249.08774	2.2
275.16266	1.3
293.17471	3.3
299.06171	1.0
305.11578	1.0
305.17575	2.0
323.12421	32.5
323.18475	2.9
328.21832	1.0
341.13470	85.5
397.21509	1.0
459.32047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77684	0.5
54.79909	0.5
55.01863	0.8
57.03428	0.5
58.96149	0.5
60.06374	0.5
62.88726	0.6
65.03934	0.6
66.04729	0.6
69.03433	2.8
69.90587	2.2
70.06599	2.8
72.08153	1.0
79.05477	2.6
81.03414	1.5
81.07062	0.8
84.08130	0.6
85.02911	6.3
86.09695	2.1
91.05476	4.5
94.04183	3.2
95.08630	0.7
97.02909	1.6
98.20878	0.9
103.05459	2.1
104.06171	0.7
105.07049	6.0
107.04951	2.5
109.02957	0.6
109.06527	2.5
111.04470	0.5
115.05453	3.8
117.07027	2.1
119.04974	0.5
119.08601	3.2
121.10126	1.2
122.03661	8.9
127.03905	1.3
128.06233	1.6
129.07021	1.6
129.10225	0.6
131.04971	3.0
132.05725	1.7
133.06502	4.9
133.57263	0.5
137.05986	100.0
138.06332	1.1
143.05006	0.7
145.06555	1.0
146.03679	0.6
147.04433	1.6
147.08035	4.0
149.05975	1.6
151.07448	0.7
156.05717	0.8
159.08078	2.7
160.05235	1.4
161.05994	13.3
161.07294	1.1
163.07597	1.4
165.06920	0.6
167.07050	1.0
167.10721	0.9
171.08076	1.1
171.99319	0.5
172.05234	1.1
173.06071	0.6
175.07553	26.8
179.07071	1.0
184.05244	1.1
187.07567	8.5
190.07829	2.0
191.08565	6.3
199.07558	8.2
202.07773	3.0
203.08594	5.9
204.09328	0.7
207.08109	0.8
208.08939	0.6
215.08597	0.9
217.08604	0.8
218.07239	1.2
219.08073	10.1
220.08818	2.1
231.08034	7.0
232.08879	1.2
233.09712	0.8
236.08206	1.5
247.07515	4.3
248.08374	3.7
249.09041	1.0
251.10692	12.3
259.07626	4.1
260.08435	1.6
261.09070	1.4
263.10709	3.3
264.07895	1.3
276.07779	1.9
277.08606	2.3
279.10165	9.5
280.10959	1.5
288.07581	0.5
291.10156	9.8
292.10910	2.6
293.08310	0.7
295.13281	1.3
296.10358	1.1
308.10345	0.7
311.09177	1.4
311.12790	22.9
313.73386	0.7
323.09998	0.5
323.12811	13.6
341.13837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.5
61.02920	1.9
69.03416	4.7
70.06579	3.7
71.47542	1.1
72.08144	1.6
79.05471	3.3
81.03410	1.6
81.07037	2.8
84.08147	2.2
85.02905	12.6
86.09695	5.6
89.06017	2.5
91.05472	5.1
94.04202	3.2
95.04958	1.3
97.02910	2.8
103.05456	3.3
105.07028	6.2
106.71638	1.3
107.04961	12.4
108.05267	1.8
109.06505	2.4
115.05453	4.5
118.04130	1.0
119.04943	1.7
119.08566	3.8
121.06503	2.3
122.03634	6.2
127.03925	2.7
128.06192	3.1
131.04909	5.2
132.05693	2.2
133.06476	4.3
137.05983	100.0
138.03050	1.2
145.04921	1.4
147.04367	2.0
147.08038	3.9
148.11208	2.2
149.05942	3.0
151.07607	1.4
157.06458	1.6
159.08058	2.5
160.05212	2.0
161.05981	14.3
163.07518	4.9
166.82375	1.3
175.07552	30.1
179.07036	1.5
181.04880	3.6
181.06345	1.2
184.05197	1.6
187.07553	6.6
189.09079	1.4
190.07729	1.8
191.08543	4.4
199.07512	9.8
202.07652	2.9
203.08614	8.2
219.08015	9.0
220.08844	1.8
223.11111	1.1
231.08054	8.7
232.08850	2.5
236.08154	1.3
247.07500	6.0
248.08369	3.0
251.10669	10.5
259.07483	5.5
260.08194	1.7
263.10681	4.8
276.07773	2.2
277.08603	3.3
279.10107	10.9
291.10175	11.6
292.10782	2.9
308.10370	1.5
311.12778	20.6
323.09369	1.8
323.12793	17.4
323.18158	1.4
503.20251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01881	1.7
55.05496	1.4
58.06612	0.9
59.93420	0.8
61.02924	4.0
69.03427	2.4
69.07069	1.9
70.00031	0.8
70.06590	2.1
71.05009	1.3
71.48550	1.4
72.08134	1.0
73.02905	1.6
79.05496	1.8
80.05002	1.7
81.03415	2.4
81.07063	4.3
82.06568	3.8
84.04473	0.8
85.02910	10.4
86.09712	1.8
91.03953	1.1
91.05469	4.8
93.07060	1.7
94.04185	2.7
94.06568	1.4
95.04963	1.2
95.08610	2.4
97.02873	2.8
101.17394	1.0
102.27541	0.8
103.05462	2.6
105.07032	7.9
107.04949	13.0
107.05639	1.2
107.08584	1.6
108.05302	3.4
108.08130	2.1
109.02890	1.1
109.06524	1.6
109.10170	1.6
115.05472	3.6
119.04905	0.9
119.08566	2.4
120.08102	3.7
121.06512	1.4
122.03651	6.0
123.11731	2.3
125.09668	0.9
127.03953	2.3
128.06245	1.2
129.06990	2.1
131.04927	2.9
132.05696	2.4
132.61319	0.9
133.06480	3.9
133.10139	1.0
134.09799	0.9
135.11752	1.1
136.07539	1.9
137.05977	100.0
141.06978	1.1
144.05777	1.0
145.04926	1.2
145.06477	1.2
147.04437	1.5
147.08051	3.2
148.11223	2.1
149.06007	1.9
156.05714	1.5
159.08070	2.9
161.05968	13.6
163.07643	1.0
167.07077	1.9
171.08133	1.3
172.05157	1.0
175.07545	33.2
179.07028	1.3
184.05125	0.9
187.07552	10.1
190.07739	3.3
191.08539	6.1
199.07527	9.3
202.07756	3.4
203.08508	5.9
206.15390	1.2
208.08859	1.0
218.07306	2.2
219.08014	10.8
220.08772	2.4
221.09479	1.0
224.16527	4.2
231.08099	6.4
232.08794	1.4
232.17052	2.0
235.07588	1.6
247.07576	3.6
248.08319	3.4
249.19647	1.9
250.18071	1.5
251.10663	11.0
254.96683	1.0
259.07486	4.4
260.08185	1.7
261.09109	1.5
263.10675	4.4
264.07620	1.8
265.08475	1.0
276.07898	1.9
277.08640	1.8
279.10153	10.6
280.10840	1.1
291.10220	9.0
292.11044	1.9
295.13284	1.1
296.10297	1.3
298.20169	8.4
305.24716	0.8
310.19849	1.1
311.12802	25.0
323.09271	1.7
323.12756	16.7
323.23053	1.3
324.21561	1.2
338.67838	0.9
341.14026	0.9
341.24353	13.8
383.25513	1.1
467.27713	1.9
485.19885	1.7
485.28568	1.4
503.20016	2.8
503.29767	12.5
513.56830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02803	1.0
55.33221	0.8
69.03429	1.6
73.02927	1.1
79.05489	2.9
81.07051	1.5
85.02894	4.1
91.05472	3.9
94.04196	3.0
97.02876	1.9
99.19914	0.8
103.05472	1.7
105.07023	5.0
107.04945	1.8
109.06537	2.4
111.24629	1.0
111.74706	0.8
115.05453	3.3
117.07019	1.7
118.04173	1.1
119.08586	2.3
121.06499	1.0
122.03671	7.9
128.06230	2.3
129.06961	1.8
130.92377	0.8
131.04950	1.6
132.05722	2.7
133.06509	3.4
137.05983	100.0
138.06273	0.9
145.05020	1.2
145.06439	1.3
147.04416	1.2
147.08069	3.3
148.52420	0.9
149.06038	1.9
151.07675	0.9
153.98431	0.9
159.08072	2.4
160.05183	1.6
161.05988	12.9
161.22214	0.9
163.07588	1.3
172.05147	2.1
175.07552	33.2
187.07506	9.5
187.86807	1.0
190.07748	2.7
191.08574	7.4
199.07562	9.3
202.07799	3.2
203.08554	5.4
208.08806	1.0
218.07359	2.1
219.08070	10.4
220.08731	2.2
231.08102	6.1
232.08957	1.6
233.09619	1.4
236.08281	2.2
247.07661	4.1
248.08282	2.5
251.10680	12.6
259.07538	3.1
260.08313	1.5
263.10699	3.4
264.07803	1.9
265.08664	1.0
276.07919	3.1
277.08694	2.2
279.10214	10.5
291.10132	9.7
292.10852	3.1
293.08194	1.1
295.13351	1.1
296.10394	1.4
308.10321	1.1
311.12802	21.1
317.35968	1.0
323.12750	11.9
357.65311	1.0
404.67685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26223	1.3
61.02931	2.2
62.11462	1.2
69.03435	8.3
70.83399	3.3
74.12082	1.3
79.55216	1.1
81.03429	3.2
81.07076	1.4
85.02912	17.3
85.58398	1.2
91.05507	2.0
94.04189	4.8
97.02914	4.7
103.05460	4.6
105.07056	3.3
109.02897	2.1
109.06511	2.3
115.05446	3.8
119.08645	3.2
122.03661	6.3
127.03940	2.7
128.06221	2.0
129.06961	2.9
131.04922	5.0
132.05750	1.9
133.06503	2.9
137.05984	100.0
138.06262	2.1
141.06918	1.2
145.04912	1.6
147.08002	2.9
149.05952	1.5
156.97191	1.4
159.08075	3.1
161.05994	9.0
163.07489	7.0
171.08025	1.7
175.07556	41.8
175.09064	2.9
184.05161	2.4
187.07463	6.3
191.08560	3.2
199.07571	18.0
202.07787	3.9
203.08592	11.2
218.07387	1.7
219.08139	6.2
220.08798	3.6
231.07974	9.1
232.08783	1.7
234.10387	1.5
247.07549	3.8
248.08238	3.5
251.10699	9.7
259.07544	5.1
260.08374	2.1
263.10663	5.4
276.07861	2.5
277.08646	2.7
279.10187	5.5
291.10208	10.7
292.10916	4.9
295.13327	1.9
308.10361	2.0
311.12817	20.2
315.09918	1.3
323.12781	21.7
325.14282	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01871	1.1
55.05508	0.7
57.07068	0.8
67.05508	4.3
69.03410	1.7
69.07058	0.7
69.90641	3.1
76.78779	0.6
79.05501	4.3
81.03429	1.3
81.07053	5.7
85.02903	4.7
91.05475	5.0
93.07053	2.2
94.04193	2.3
95.04968	1.4
95.08601	2.6
97.02880	1.6
98.21445	0.9
103.05460	2.3
105.07038	8.1
107.04956	1.2
107.08591	2.1
109.06502	2.0
109.10173	1.2
115.05457	3.9
117.06966	1.4
119.04945	0.7
119.08574	2.3
121.10114	1.6
122.03662	7.6
123.08104	1.1
127.03897	0.9
128.06206	1.5
129.07001	2.7
131.08597	1.5
132.05710	2.1
133.06509	4.3
133.10184	1.1
137.05978	100.0
141.07028	0.9
143.06050	1.0
145.06496	1.0
146.03725	0.9
147.04407	2.5
147.08058	2.9
149.06013	2.0
155.04849	0.9
156.05730	0.9
157.06503	0.7
158.08179	0.7
159.08047	2.8
159.11609	0.9
160.05206	1.0
161.05980	13.9
171.08047	1.1
172.05086	1.6
175.07550	30.0
179.07025	1.9
179.14265	1.2
184.05226	0.9
187.07512	8.2
189.09154	1.3
190.07826	3.2
191.08600	6.3
199.07523	9.6
202.07742	3.2
203.08578	5.3
205.06462	0.8
208.08885	1.1
218.07265	2.5
219.08043	9.7
220.08817	2.9
231.08063	5.9
232.08781	1.4
233.09720	1.1
236.08435	1.8
237.09059	1.3
247.07516	3.8
248.08240	3.6
251.10652	11.1
259.07510	3.3
260.08319	1.0
261.09183	1.4
263.10782	4.2
264.07779	1.2
265.08640	1.1
276.07907	1.8
277.08569	2.2
279.10147	10.7
280.10870	0.9
283.13406	1.0
291.10178	9.6
292.11029	3.1
293.08112	0.9
295.13220	1.4
308.10352	1.4
311.12784	20.3
323.12762	14.5
323.16342	1.2
331.26404	1.8
341.13800	1.1
406.14923	0.7
435.92889	0.6
446.93439	0.7
503.36823	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	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01857	0.6
55.05508	0.9
61.02915	1.0
63.74025	0.6
65.47346	0.5
69.03431	13.2
69.07056	1.8
70.06577	2.1
71.04977	0.9
71.36629	0.6
71.47924	1.0
72.08141	1.8
72.92529	0.6
79.05499	4.4
81.03412	1.5
81.07061	3.6
81.07468	0.6
84.08129	1.9
85.02917	6.6
86.09701	3.3
91.05490	2.6
93.07032	6.4
95.01315	1.0
95.04981	0.9
95.08602	1.3
95.90106	0.6
97.02922	3.5
97.06538	0.5
99.04464	1.2
103.05476	0.7
105.07044	7.7
107.04955	3.4
107.08624	1.5
109.02862	1.1
109.06523	3.9
111.04446	8.6
115.49351	0.6
119.08563	1.7
120.08117	0.6
120.83547	0.6
121.06494	3.6
121.10149	20.0
123.08068	2.2
123.11709	2.9
125.09639	0.8
127.03934	1.3
129.10240	1.0
131.08563	0.6
133.07620	1.1
133.10139	0.8
135.08084	1.8
137.05989	5.9
139.07426	0.6
141.05460	0.6
145.04958	1.2
145.10115	0.9
149.09624	100.0
151.11191	1.6
151.41560	0.6
153.05478	11.6
158.10956	0.8
165.05487	3.5
165.12706	0.7
167.10678	29.4
173.13255	1.8
175.07587	0.9
175.30898	0.6
182.71487	0.6
183.06505	0.7
191.14297	7.6
192.29195	0.6
195.05219	0.6
201.05452	0.8
209.15376	6.2
268.66696	0.6
275.16354	1.8
287.16498	1.0
293.17468	7.1
298.65045	0.6
305.17511	3.9
311.12820	0.8
323.13040	0.7
323.18524	7.1
341.19534	1.9
468.65771	0.6
503.25668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03145	1.2
55.01872	8.3
55.05515	14.0
57.03429	3.4
57.07073	6.1
67.05508	23.1
69.07070	13.2
71.04974	1.8
71.08633	7.1
71.23857	1.3
71.67194	1.1
72.47218	1.5
79.05499	12.7
79.84453	1.3
81.07063	29.9
83.04953	2.5
83.08614	4.0
85.06560	1.7
91.05445	9.7
93.07051	17.9
95.04993	2.8
95.08065	2.0
95.08617	20.7
96.08973	1.9
97.06523	4.6
97.10161	3.4
98.21544	3.0
98.98474	74.9
99.08094	3.0
105.07044	13.4
107.04956	6.0
107.08611	16.6
108.08922	1.5
109.06531	16.3
109.10142	9.3
111.00845	1.6
111.08085	3.4
117.07019	3.8
119.08589	14.9
121.06546	2.2
121.10143	10.9
123.08071	31.1
123.11681	4.4
125.09636	2.9
129.76590	1.4
131.08549	4.0
133.06549	2.3
133.10127	12.7
135.08061	21.4
135.11682	4.5
137.09668	3.6
137.13269	2.0
143.08630	1.7
145.10155	8.7
146.10474	1.4
147.07948	1.3
147.11682	7.8
149.09637	6.0
149.13257	5.4
155.01126	1.4
157.10095	1.9
159.11745	5.6
161.09679	3.1
161.13260	3.0
163.11302	1.8
165.12711	3.3
167.14314	3.8
173.02107	13.5
173.13208	3.5
175.14850	6.8
177.12750	7.5
177.16470	1.6
179.12761	2.7
179.14328	50.2
185.13278	1.5
187.14838	2.5
191.14351	3.5
193.12323	1.6
205.15889	7.9
229.15977	1.4
233.19060	1.8
262.22498	2.8
263.20074	4.0
275.20145	5.9
289.21680	5.0
289.25098	1.3
293.21039	2.5
303.26840	8.7
329.03870	1.4
331.26328	100.0
332.26645	2.9
334.05173	1.4
349.27374	11.9
375.28870	1.4
387.28912	4.5
405.30035	55.9
423.30994	5.7
450.25668	1.6
460.68152	1.5
485.26492	3.4
503.27588	22.3
503.35681	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05517	11.7
57.03431	4.2
57.07066	4.3
62.20554	1.0
67.05513	16.1
69.07072	9.4
69.53598	6.9
71.05000	2.1
71.08622	4.5
75.04448	2.2
77.78955	1.3
79.05500	12.2
80.05412	1.5
80.47112	1.5
81.07062	21.9
83.08617	5.4
90.32508	1.3
90.95849	1.5
91.05457	9.5
93.07062	12.9
95.04971	1.4
95.08607	17.0
95.47120	1.6
97.06530	5.5
98.21470	1.4
98.98473	72.1
99.08086	3.8
105.07045	11.6
107.04968	3.0
107.08600	14.4
109.06512	14.3
109.10168	9.6
111.08046	1.6
117.06985	3.2
119.08587	11.2
121.06458	1.9
121.10139	7.1
123.08077	34.4
123.11729	2.3
125.09660	1.6
131.08574	5.6
133.10124	10.7
135.07130	1.9
135.08076	21.6
135.11703	2.9
137.09692	2.7
143.08580	2.1
145.10130	5.0
147.11702	6.9
149.09622	6.4
149.13246	4.4
157.10094	3.1
159.11711	3.8
161.09637	3.1
161.13249	3.5
163.11177	1.9
163.14751	1.9
165.12692	2.5
167.05585	1.4
167.14334	2.3
167.36140	1.3
173.02107	12.0
173.13316	2.7
175.14825	7.5
177.12764	8.2
179.14330	44.7
187.14836	2.1
191.14267	2.3
205.15909	6.6
233.18985	2.3
247.20685	2.0
263.20013	4.8
275.19983	4.7
289.21616	5.8
293.21185	2.5
299.06174	2.7
303.26736	7.1
303.71207	1.4
303.83972	1.3
322.71805	1.3
331.26340	100.0
349.27460	14.0
375.28903	2.3
377.39548	1.4
387.28943	5.4
405.30035	52.9
406.30313	2.0
423.30942	4.6
485.26538	4.0
503.27603	22.6
503.34305	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	503.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92753	5.9
55.05509	14.5
58.05590	5.9
67.05501	12.1
69.03420	18.3
69.07046	21.3
69.31149	42.8
69.31562	12.7
78.78341	5.6
79.05483	21.5
81.03415	10.6
81.07048	36.5
85.02916	32.4
85.06547	6.1
91.05478	19.6
93.07035	27.1
95.04990	7.5
95.08619	38.0
97.02908	7.9
97.06520	9.4
98.20691	12.8
103.05461	11.5
105.07040	26.7
107.04974	31.1
107.08627	30.7
109.02905	5.9
109.06499	7.8
109.10135	23.2
111.08092	13.3
117.06961	6.8
119.08581	19.4
121.06495	7.1
121.10131	17.3
123.11681	16.4
131.04936	30.8
133.10089	15.4
135.11681	21.7
137.05962	100.0
143.08485	5.8
145.06429	8.4
145.10109	12.3
147.08076	10.2
147.11696	10.4
149.13306	8.5
151.11220	12.2
152.37383	6.1
153.12758	13.3
161.06015	11.6
161.13246	6.7
163.14738	7.2
169.12183	7.4
175.07549	26.0
175.14899	8.4
187.07576	9.5
189.73349	5.4
195.54393	6.0
199.07579	13.1
201.16284	9.8
209.15526	6.2
219.08096	10.4
231.08037	8.9
240.07765	20.4
251.10683	12.3
251.20036	8.9
255.10211	71.8
279.10211	15.1
293.24881	6.6
305.24847	11.2
311.12927	17.2
323.12759	13.1
371.58450	6.2
392.89581	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	503.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05513	5.4
64.09199	2.6
67.05498	15.6
69.03426	16.8
69.07076	18.4
70.06597	5.3
70.12650	6.5
70.13045	7.1
71.04998	6.1
72.02344	3.0
79.05496	17.1
81.03436	6.2
81.07062	40.3
83.08631	6.1
85.02923	12.8
85.06542	5.1
86.09737	2.8
91.05492	12.7
93.07052	32.1
95.04990	8.5
95.08596	25.4
97.02917	7.0
97.06527	14.3
98.21476	3.5
105.07046	17.7
107.04961	69.8
107.08604	28.5
109.02917	4.8
109.06540	4.9
109.10157	28.3
111.08122	10.9
117.07055	3.9
119.08601	14.4
121.06513	5.1
121.10164	21.7
123.04413	6.3
123.08051	4.7
123.11699	16.8
125.09641	8.9
127.03956	5.8
127.11230	5.6
129.07130	2.8
131.04965	4.5
131.08611	5.7
133.10178	8.3
135.11736	14.1
137.05968	36.9
137.09641	3.6
137.13332	3.4
139.11194	6.7
145.10196	4.4
147.08109	5.1
147.11699	7.8
149.13297	11.0
151.11223	13.3
153.12820	8.1
157.10165	5.6
159.08200	4.5
159.11731	6.8
161.06000	5.6
161.13322	6.0
163.14842	4.6
165.12767	5.8
173.13300	5.6
175.07617	10.6
189.16522	3.9
191.08585	4.3
191.14427	3.1
199.07480	5.0
201.16528	5.4
203.18056	4.8
235.13353	4.1
263.10684	4.5
269.22565	5.1
287.23782	4.4
305.24963	9.0
311.12799	4.2
323.12741	7.3
323.25870	8.2
341.10809	4.4
413.85443	3.5
503.24863	100.0
504.25204	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	1.5
55.05271	1.3
55.05515	15.5
57.03426	2.6
57.07076	2.2
59.05009	2.2
59.93870	0.9
65.03936	2.4
67.05511	63.7
69.03452	1.2
69.07070	13.6
71.05006	7.8
71.08625	1.6
71.49197	1.5
79.05499	35.8
81.03413	1.2
81.07060	100.0
83.05006	1.2
83.08623	5.7
85.06554	11.8
89.06041	1.3
91.05480	23.9
93.07049	31.8
95.04975	3.5
95.08611	23.1
97.06521	3.4
97.10177	2.6
98.98476	5.9
99.08068	1.4
101.05968	1.0
105.04506	1.5
105.07043	18.0
107.04963	30.3
107.08594	16.4
109.06507	2.9
109.10161	10.9
111.08085	1.3
117.07056	4.6
119.08587	13.8
121.06510	1.3
121.10139	15.7
123.08064	5.8
123.11721	12.8
129.07083	1.1
131.08556	9.2
133.10129	16.0
135.08054	3.0
135.11694	8.5
139.11235	1.2
143.08566	2.4
144.09435	1.0
145.10121	7.9
147.11676	7.2
149.13281	3.9
151.11186	4.5
159.11656	5.4
161.13293	4.1
163.14937	1.3
169.12314	2.1
171.11714	1.3
173.02115	1.7
173.13271	3.0
175.14822	2.3
179.14360	4.8
187.13321	8.5
187.14809	1.9
225.16365	0.9
227.16403	1.3
261.22223	4.1
264.42966	0.9
304.39429	0.8
305.24783	3.3
317.24832	1.2
331.26340	6.5
349.27542	1.2
393.31552	2.1
397.29443	6.0
405.30170	3.7
411.32800	3.1
416.87598	1.0
429.34024	1.7
457.27628	1.1
485.36447	1.6
503.37424	64.9
504.37305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	1.5
55.05271	1.3
55.05515	15.5
57.03426	2.6
57.07076	2.2
59.05009	2.2
59.93870	0.9
65.03936	2.4
67.05511	63.7
69.03452	1.2
69.07070	13.6
71.05006	7.8
71.08625	1.6
71.49197	1.5
79.05499	35.8
81.03413	1.2
81.07060	100.0
83.05006	1.2
83.08623	5.7
85.06554	11.8
89.06041	1.3
91.05480	23.9
93.07049	31.8
95.04975	3.5
95.08611	23.1
97.06521	3.4
97.10177	2.6
98.98476	5.9
99.08068	1.4
101.05968	1.0
105.04506	1.5
105.07043	18.0
107.04963	30.3
107.08594	16.4
109.06507	2.9
109.10161	10.9
111.08085	1.3
117.07056	4.6
119.08587	13.8
121.06510	1.3
121.10139	15.7
123.08064	5.8
123.11721	12.8
129.07083	1.1
131.08556	9.2
133.10129	16.0
135.08054	3.0
135.11694	8.5
139.11235	1.2
143.08566	2.4
144.09435	1.0
145.10121	7.9
147.11676	7.2
149.13281	3.9
151.11186	4.5
159.11656	5.4
161.13293	4.1
163.14937	1.3
169.12314	2.1
171.11714	1.3
173.02115	1.7
173.13271	3.0
175.14822	2.3
179.14360	4.8
187.13321	8.5
187.14809	1.9
225.16365	0.9
227.16403	1.3
261.22223	4.1
264.42966	0.9
304.39429	0.8
305.24783	3.3
317.24832	1.2
331.26340	6.5
349.27542	1.2
393.31552	2.1
397.29443	6.0
405.30170	3.7
411.32800	3.1
416.87598	1.0
429.34024	1.7
457.27628	1.1
485.36447	1.6
503.37424	64.9
504.37305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01886	1.2
55.05512	16.7
55.28967	0.5
57.03436	3.2
57.07072	2.8
65.03938	3.6
67.05508	62.3
69.03448	1.0
69.06695	0.6
69.07070	13.0
69.16080	6.1
71.04995	7.6
71.08616	0.7
73.06545	1.0
77.03939	0.8
79.05496	34.3
81.03455	0.8
81.07058	100.0
82.07428	0.6
83.04987	1.9
83.08625	7.2
85.06549	11.1
85.10232	0.5
91.05481	24.2
93.07047	33.4
95.04964	2.4
95.08609	25.2
97.06519	2.7
97.10162	2.9
98.20800	1.1
99.08086	0.9
99.49194	0.6
103.05476	0.6
105.04516	1.1
105.07030	17.6
105.07697	1.2
106.09559	0.5
107.08597	17.9
109.06528	2.0
109.10161	13.2
111.08087	1.0
111.11767	0.8
117.07027	4.3
119.08593	14.5
121.10145	17.2
123.08089	1.4
123.11704	10.6
125.09642	1.0
126.95859	0.6
129.07001	1.4
131.08574	8.7
133.10132	16.6
135.11697	11.1
139.11201	0.9
143.08595	2.1
145.10115	6.8
147.11688	6.7
149.13274	2.8
151.11172	5.1
153.12801	2.2
157.10103	1.2
159.11693	5.2
161.13284	3.3
163.14845	1.4
169.10107	0.7
169.12236	2.9
171.11732	1.7
173.13287	3.6
175.14864	2.1
179.14331	0.8
183.11693	0.7
185.13284	1.7
187.13315	8.4
187.14864	3.1
189.16493	1.1
197.13382	1.1
199.14854	1.2
201.16501	1.1
227.16472	2.1
243.21037	1.0
259.20578	1.2
261.22128	4.0
264.62418	0.7
299.06451	0.9
301.25162	0.7
317.24667	0.9
331.26135	1.2
342.64914	0.7
367.79114	0.6
379.90820	0.6
393.31549	2.4
405.30154	1.0
411.32693	4.3
429.33713	2.0
485.36359	3.6
503.37366	73.5
504.37448	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	504.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.5
57.07083	6.9
60.04523	8.7
67.05499	4.7
69.07066	17.6
70.54043	2.6
71.05048	7.3
71.08654	4.2
79.05531	4.5
81.07055	37.3
81.21698	2.9
83.08641	8.6
91.05487	4.6
95.08591	7.2
97.10170	4.6
107.08685	3.2
108.08069	3.0
109.10158	3.3
138.09157	56.5
139.07530	29.0
150.09219	6.5
154.08636	59.0
164.07069	55.9
165.09167	2.9
165.24023	3.2
167.07051	4.8
180.10249	9.4
182.08122	13.2
192.10248	16.3
198.11301	6.8
216.45073	2.8
426.37372	5.3
444.38373	100.0
486.39420	55.5
488.81393	3.2
504.40320	4.3
504.47305	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	506.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13112	0.4
57.03417	0.3
61.02931	0.5
69.03449	0.7
69.46648	0.9
69.47076	1.3
70.06602	2.4
72.08151	1.1
81.03412	1.1
84.04508	0.7
84.08143	1.1
85.02905	2.2
86.09695	1.0
88.04008	0.4
91.05479	5.4
97.02898	1.0
98.97546	0.3
99.04443	0.9
99.33825	0.3
103.05435	0.5
105.07030	0.4
107.04964	2.1
107.08578	0.7
109.02872	1.1
119.04943	14.8
119.08573	0.4
120.08127	1.0
121.06509	0.4
123.04427	0.4
123.08090	0.3
127.03929	2.0
129.10233	0.6
133.06439	0.8
145.04958	0.8
147.04413	100.0
148.04768	1.0
151.93246	0.4
159.09264	0.3
163.11281	0.4
165.05449	2.6
182.08194	0.4
185.96931	0.3
189.12711	0.5
207.13809	0.6
239.11035	1.2
291.08658	0.7
309.09671	4.9
395.02029	0.3
471.15112	1.4
525.03540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
58.25485	0.4
61.02920	0.7
63.02359	0.5
65.03931	0.8
69.03416	2.0
69.80375	2.5
70.06577	0.5
72.21516	0.4
72.86670	0.4
80.28032	0.5
81.03392	0.6
85.02908	9.2
87.36893	0.4
90.88368	0.4
91.03928	0.5
91.05479	5.9
97.02892	2.6
98.21491	0.9
109.02857	0.8
119.04942	17.9
127.03921	1.9
145.04930	3.2
147.04411	100.0
148.04767	1.4
155.75941	0.5
157.58861	0.5
163.06071	1.0
165.05481	47.2
166.05801	0.6
180.08647	0.9
204.39716	0.4
209.61636	0.5
309.09790	0.8
344.13254	1.0
400.82974	0.5
507.82074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51963	0.3
51.02381	0.5
51.45417	0.3
57.03418	0.4
65.03941	0.7
69.03429	2.9
69.85335	1.5
70.06577	0.7
81.03400	1.0
84.04525	0.4
85.02922	1.7
91.05488	4.8
97.02887	0.7
107.04948	1.2
109.02880	0.6
119.04945	15.3
123.04465	1.7
124.04787	0.6
127.03920	1.5
130.06496	0.7
145.04973	0.9
147.04417	100.0
148.04733	1.2
164.07079	1.0
165.05493	3.8
165.09123	0.5
172.13245	0.3
204.08607	0.5
205.84125	0.3
221.09337	0.4
248.91985	0.4
256.76404	0.3
281.02209	0.3
291.08545	2.2
309.09659	6.0
317.59576	0.3
375.14224	0.3
384.14780	0.7
387.01321	0.4
446.17679	0.4
471.14899	1.0
504.95975	0.4
506.18143	0.4
526.21735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19947	0.2
53.03933	0.2
55.01891	0.2
55.05504	0.3
55.45438	0.2
55.59113	0.2
60.94110	0.2
65.03936	0.4
65.59460	0.2
66.04716	0.4
67.05489	0.7
69.03428	0.5
69.07069	0.6
70.06596	0.7
71.48455	0.4
72.08116	0.3
77.78063	0.2
79.05461	0.5
81.03402	0.3
81.07067	1.5
84.08147	0.2
85.02916	1.0
85.06557	0.3
86.09717	1.1
91.05479	1.4
93.07026	0.6
93.75355	0.2
94.04193	2.1
95.04955	0.3
95.08607	0.9
97.02898	0.4
97.06536	0.3
99.04391	0.2
100.07616	0.6
102.14436	0.2
104.59869	0.2
105.07039	0.5
107.04951	1.8
107.08602	0.6
109.02875	0.2
109.06511	0.3
109.10203	0.5
110.10448	0.2
119.04968	0.7
120.08118	0.4
121.10139	0.3
122.03656	5.2
123.04414	0.2
123.11705	0.3
125.50664	0.2
133.10130	0.3
137.05981	100.0
138.06331	0.7
145.04991	0.3
147.11673	0.4
149.13176	0.2
180.08679	0.3
190.35913	0.2
197.80661	0.2
198.18562	0.5
215.85213	0.2
308.26450	0.3
326.23322	0.7
344.09525	0.6
346.97849	0.2
459.03265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36462	0.2
55.05507	0.3
62.82046	0.2
66.04720	0.6
69.03430	0.4
69.07064	0.5
69.52882	1.7
70.06578	1.0
72.08168	0.4
79.05482	0.8
80.50112	0.3
81.03481	0.3
81.07063	1.6
83.08641	0.3
84.08119	0.4
85.02896	1.2
85.06530	0.6
86.09703	1.2
91.05488	1.6
93.07043	0.7
94.04201	2.5
95.04952	0.3
95.08606	0.6
97.02905	0.4
97.06557	0.2
98.21548	0.4
100.07625	0.5
105.07030	0.4
107.04939	1.7
107.08591	0.5
108.05331	0.3
109.02923	0.3
109.10156	0.6
110.10517	0.3
111.08093	0.3
111.42413	0.2
119.04935	0.7
119.08570	0.3
120.08128	0.7
121.10164	0.3
122.03660	6.1
122.10442	0.3
123.11690	0.6
131.64973	0.2
131.66827	0.3
133.10161	0.5
135.11626	0.3
137.05984	100.0
138.06316	1.1
154.08629	0.3
198.18463	0.5
308.26968	0.4
326.23264	0.8
344.09503	0.9
344.13745	0.2
344.24289	0.5
506.18362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
56.05034	1.5
58.13237	0.5
64.99717	0.5
69.58884	3.2
70.06594	13.3
72.08165	1.4
74.06077	5.0
76.45119	0.5
81.91381	0.6
84.04506	1.2
84.08141	1.2
86.09705	1.8
91.05489	1.0
93.07022	1.4
98.21503	0.8
100.07611	1.5
103.05475	2.3
107.04966	2.7
107.52677	0.5
114.05546	1.1
115.08704	7.7
116.07098	20.0
120.08111	100.0
121.08452	0.6
122.02659	0.6
129.10260	0.7
130.05006	1.3
136.07567	0.6
142.08658	1.8
143.08163	7.4
158.09636	0.6
159.09221	0.6
171.11353	1.1
176.10692	4.1
181.09877	0.7
186.09193	3.0
191.11842	1.2
199.10725	2.8
201.10271	0.6
217.11833	9.6
217.13712	0.9
219.11299	0.8
221.12831	5.0
227.10258	2.9
231.11319	2.2
244.12943	0.9
245.12924	2.7
249.12352	10.6
290.14960	8.5
302.15033	1.3
320.16040	1.7
345.19223	1.6
346.17599	9.0
347.17438	1.0
348.15610	1.0
363.20212	2.3
373.18637	3.6
391.19727	11.5
488.25119	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	506.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.0
57.03439	3.5
60.08154	16.0
63.11323	3.5
67.05512	49.9
68.05840	4.5
69.07050	10.1
69.53770	18.6
71.07360	7.6
79.05480	11.4
81.07062	43.1
82.75520	3.7
83.05000	4.3
83.08614	8.8
85.06538	3.6
86.09712	48.1
91.02274	3.7
91.05471	12.1
93.07016	11.5
95.08619	37.9
97.06561	3.7
98.20795	8.2
98.98460	4.3
99.08073	5.7
104.10075	5.4
104.10755	85.8
105.07025	13.3
107.04937	5.1
107.08578	9.1
109.10166	19.8
119.08584	10.8
121.10122	16.5
123.11697	7.6
125.00011	25.8
133.10135	14.2
135.11682	10.4
137.13257	6.7
143.08636	3.8
147.11638	9.3
151.14816	6.9
161.13309	8.6
184.07350	100.0
209.20514	3.6
217.19481	35.3
235.20538	32.8
309.24170	16.7
354.42062	4.2
439.63605	3.9
506.32715	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	506.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05513	10.3
56.05036	5.0
57.07075	4.7
58.06614	0.9
60.04536	4.0
65.03928	1.6
67.05503	15.9
68.05024	1.1
69.07070	7.5
70.06575	2.9
70.79163	0.6
71.08609	1.5
71.49446	0.8
79.05080	0.9
79.05496	12.2
80.05044	3.8
81.05797	2.3
81.06605	1.0
81.07064	16.4
82.06579	8.9
83.04967	1.1
83.08611	5.7
84.08156	1.3
91.05472	12.0
93.05795	0.9
93.06480	1.1
93.07044	12.0
94.06570	21.7
95.04951	1.3
95.07349	11.7
95.08607	11.3
96.08142	3.6
97.10162	3.9
105.07026	7.2
107.07343	0.7
107.08604	6.7
108.08097	3.2
109.10165	5.4
111.11746	1.4
119.08566	8.4
121.10152	7.1
122.09668	2.3
123.11723	3.5
133.10161	5.2
135.11693	3.4
136.11160	0.8
147.11673	2.4
149.13271	1.2
157.69276	0.7
161.13223	1.1
163.14883	1.6
175.14844	0.7
205.19548	4.7
217.19518	4.8
219.21017	0.7
222.22153	10.2
234.22166	100.0
235.20499	0.8
236.23778	1.7
248.23735	17.6
252.23230	12.6
262.25284	1.1
266.24762	1.8
272.25873	4.9
474.46320	0.7
476.44589	2.8
488.44476	6.7
506.45761	5.0
507.40149	1.4
524.73889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
56.05042	2.5
67.05499	0.6
69.03434	0.4
69.07071	0.8
70.06609	0.3
71.21571	0.5
72.08172	0.7
79.05471	0.4
81.07055	0.5
83.08624	0.8
84.08148	100.0
85.02911	1.5
85.08480	0.7
86.09708	0.5
93.07043	0.3
97.02911	0.5
107.08591	0.3
108.84227	0.3
110.15982	0.3
112.07558	0.3
120.08062	0.3
122.17361	0.3
123.71272	0.3
127.03861	0.3
128.07121	0.4
129.10257	2.1
130.08647	8.8
135.20677	0.3
147.11278	3.0
264.23306	0.4
282.24289	8.7
305.67737	0.3
327.26361	0.5
339.54407	0.2
345.27493	49.4
346.27853	1.6
379.02673	0.3
391.29410	0.3
423.28555	0.5
453.29565	0.3
507.32697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71237	5.2
51.93655	4.7
53.03945	12.3
55.01864	10.0
55.05523	26.6
55.07777	4.4
57.03434	12.0
57.07075	8.0
67.05515	43.7
69.03448	25.4
69.07065	27.3
70.06591	7.1
71.04996	11.0
71.48508	8.1
73.57117	4.3
74.38107	4.9
75.70920	5.1
79.05499	39.3
79.61861	4.5
80.32967	4.3
81.03417	28.3
81.07063	68.4
83.04967	9.0
83.08627	17.6
85.02910	23.6
85.06552	15.2
88.31454	4.5
91.05494	36.8
93.07048	43.8
95.04986	11.7
95.08617	70.7
97.02884	13.2
97.06544	16.1
97.10191	11.8
99.04476	10.0
103.05476	31.7
105.07030	29.6
107.04968	100.0
107.08590	31.9
108.05313	5.3
109.02882	15.4
109.06528	11.6
109.10159	40.2
111.11748	6.2
115.05423	5.8
117.07014	12.2
119.08609	28.4
121.06560	13.0
121.10114	24.8
123.11718	17.2
127.03930	20.8
128.06223	6.5
129.07011	16.0
131.04950	70.1
131.08588	11.4
133.06485	8.5
133.10164	23.1
135.04453	5.3
135.08057	8.3
135.11737	17.4
137.05995	33.2
137.09615	5.4
137.13268	11.1
141.06992	11.8
143.08640	12.5
144.94794	4.7
145.06497	21.4
145.10147	15.6
147.04451	5.8
147.08051	7.8
147.11702	22.2
149.06033	6.6
149.09645	7.8
149.13274	11.4
151.07565	13.1
151.11206	6.4
155.08542	9.4
157.06529	15.4
157.10170	15.2
159.08073	8.1
159.11665	8.2
161.06030	9.3
161.13277	13.8
163.07521	5.7
165.07039	6.8
167.08636	6.6
169.06541	5.8
170.10791	5.6
171.08101	11.9
171.11667	5.5
173.06041	11.7
173.09561	7.4
173.13319	10.9
175.14836	5.5
177.05504	6.5
177.09146	4.9
181.06496	6.0
181.10165	7.2
183.08122	9.3
183.11731	5.4
185.13242	5.3
187.07645	7.4
194.07341	5.4
195.08145	10.8
197.05946	5.9
197.09581	12.1
199.07573	17.6
199.11191	6.9
201.09126	8.6
205.00920	5.5
205.10049	7.3
207.08064	7.9
207.11699	6.4
209.09619	10.5
211.11296	7.1
221.09581	6.7
225.12729	6.7
233.09624	14.5
235.06032	6.2
237.09143	6.4
239.10677	5.7
261.08917	5.7
273.25778	13.9
291.26837	6.2
309.18353	7.4
317.15082	7.9
327.19675	7.2
355.19107	7.0
363.14868	8.0
397.20026	9.4
415.21161	23.9
433.22119	7.0
468.32764	6.0
489.24756	7.0
507.18790	7.2
507.26770	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	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01860	1.3
55.05517	9.8
57.03438	2.3
57.07072	7.0
59.05000	2.4
59.39637	1.4
60.29048	1.4
65.03950	1.4
67.05505	19.5
69.03429	4.1
69.07073	30.5
69.07425	1.4
70.06581	1.9
71.04986	5.5
71.08633	4.3
79.05497	14.8
80.36845	1.2
81.03415	3.1
81.07062	100.0
82.07397	1.4
83.08624	8.8
84.08129	1.9
85.02912	9.8
85.06538	11.5
86.09710	2.1
91.05481	6.3
93.07050	27.2
95.04984	2.5
95.08613	63.7
96.01157	1.5
96.08966	2.0
96.72100	1.3
97.02912	2.6
97.06531	4.3
97.10161	6.0
99.08080	4.7
103.05423	2.1
105.07040	11.0
107.04967	14.0
107.08594	26.1
109.06494	1.7
109.10162	46.1
111.08080	8.6
111.11730	7.0
112.10398	1.4
119.08615	9.7
121.06551	1.3
121.09357	1.9
121.10152	20.6
123.08107	1.8
123.11708	38.3
125.09689	2.2
127.03914	3.1
127.11160	6.9
131.04959	1.9
131.08591	2.2
133.10149	6.7
135.11687	14.3
137.05931	3.3
137.09608	1.4
137.13275	28.1
139.11189	3.7
141.12772	7.8
145.10077	1.5
147.04372	1.8
147.11711	7.5
149.13257	18.3
151.14832	3.3
153.12761	5.4
155.14334	12.5
161.13290	6.2
163.14839	8.7
165.12740	3.0
165.16341	2.4
167.14337	3.2
171.13969	1.9
173.15428	3.1
175.14838	2.9
177.16388	6.0
179.14325	1.4
179.17969	2.5
186.70016	1.3
189.16399	3.1
191.17946	5.2
203.18025	3.0
205.19530	4.9
209.01918	1.2
213.09000	1.2
213.18468	2.8
217.19522	4.4
223.20601	1.4
235.20665	2.8
247.24213	2.6
261.25803	3.2
273.25781	9.1
279.26889	6.1
291.26819	24.0
309.27890	13.2
327.28876	3.2
345.24728	2.0
345.30002	3.9
507.19165	2.4
507.25946	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
53.90580	2.5
55.01871	3.5
55.05505	12.0
57.03436	2.6
57.07061	8.9
67.05505	22.6
69.03426	5.5
69.07071	34.8
70.06574	6.2
70.17146	3.3
71.03143	6.1
71.08620	4.4
79.05499	16.1
81.07056	100.0
83.08619	10.4
84.08125	4.0
85.02889	10.8
85.06559	15.8
86.09705	10.0
86.10206	2.6
91.05483	7.3
92.09686	2.8
93.07054	31.5
95.04977	3.0
95.08611	68.4
97.02927	3.0
97.06538	5.0
97.10164	8.6
99.08102	6.4
105.07017	12.3
107.04964	15.7
107.08598	34.5
109.09473	4.7
109.10162	50.8
111.08066	8.8
111.11736	5.6
119.04945	3.0
119.08576	7.7
120.08081	7.3
121.10130	27.8
123.11707	60.8
125.09695	2.9
127.03889	3.4
127.11227	3.1
131.04901	5.4
133.10118	6.9
135.11710	22.4
137.05995	9.4
137.13249	29.5
139.11111	3.7
141.12704	3.4
147.11670	4.0
149.13261	27.3
151.14815	6.8
153.12744	9.8
160.26251	2.8
161.02255	2.9
161.13171	3.3
163.07549	5.9
163.14812	13.4
177.09171	3.8
177.16418	11.3
183.09988	3.4
191.08623	3.3
191.17934	5.6
203.18036	3.1
213.18459	2.5
217.19518	5.6
240.38193	2.7
261.25922	3.0
273.25723	14.5
279.26788	5.2
291.26810	28.1
309.27792	10.3
327.28812	6.5
403.93713	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01855	2.7
55.05275	1.6
55.05513	22.5
57.03442	6.5
57.07076	11.9
59.05004	1.4
65.03932	2.8
66.20006	1.2
67.05506	100.0
68.05825	1.2
69.03420	2.1
69.07066	16.3
69.82833	5.8
71.04983	4.9
71.08622	7.6
79.05074	2.1
79.05495	26.8
81.03413	5.4
81.07059	63.4
83.04987	2.1
83.08622	16.6
85.06554	5.5
85.10169	3.5
91.05482	20.6
93.07046	40.6
93.07947	1.5
95.04961	4.0
95.08609	46.9
96.08936	1.9
97.06522	4.9
97.10173	13.5
105.07031	17.5
107.04916	1.2
107.08595	29.3
109.06492	1.9
109.10158	56.3
111.08081	2.6
111.11729	1.7
112.84726	1.1
117.07044	7.1
119.08587	16.0
121.10144	18.4
123.08041	1.6
123.11719	11.2
125.09634	11.3
129.06972	4.1
131.08575	13.1
133.10129	13.3
135.08031	1.8
135.11685	14.0
137.09619	2.5
137.13223	3.9
143.08554	3.2
145.10133	8.9
147.11691	7.2
149.09641	1.9
149.13240	11.9
151.11159	1.6
155.08463	1.6
155.10622	3.5
157.10176	3.8
159.11711	11.9
161.13249	6.4
163.14799	4.7
169.10132	2.9
171.11676	2.5
173.11728	10.7
173.13283	4.8
173.38312	1.2
175.14828	2.6
177.12700	2.1
177.16406	1.9
183.11682	1.4
185.13271	1.8
187.14847	4.5
189.11246	7.2
193.16039	1.4
195.00215	2.8
199.14789	1.6
205.15784	1.3
227.12793	6.0
227.17926	1.2
229.14333	27.5
231.15932	1.9
239.23669	2.5
241.19586	1.4
243.21086	4.6
259.20581	3.0
261.22113	27.0
263.23642	3.0
279.23053	1.4
309.40161	1.1
317.24658	3.7
327.26587	1.3
335.25845	16.0
379.29709	3.3
397.30969	4.6
415.31900	6.1
433.33041	4.2
471.34979	1.4
472.74402	1.1
483.98251	1.8
489.35843	23.5
494.25256	1.4
507.26767	8.0
507.36771	16.3
507.39310	15.2
528.01373	1.2
534.38635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.6
53.03939	3.3
55.01870	2.1
55.05273	2.2
55.05515	24.2
57.03448	8.2
57.07073	13.7
59.04987	3.3
61.66631	1.5
63.42911	1.3
64.97381	1.4
65.03933	2.9
66.69612	1.2
67.05507	100.0
69.03410	1.6
69.07068	17.5
70.43600	2.5
70.43988	2.6
71.04998	3.5
71.08617	7.4
71.92343	1.2
79.05495	30.0
81.07059	69.1
83.04984	2.9
83.08622	17.8
85.06548	5.3
85.10172	4.2
87.04447	1.5
91.05482	20.0
93.06489	2.3
93.07050	36.9
95.04958	3.2
95.08614	42.7
97.06535	4.4
97.10162	13.3
99.08084	2.3
105.07024	13.3
107.04937	1.5
107.08597	32.5
109.06569	1.4
109.10161	62.1
111.08071	4.7
112.98267	1.2
117.06989	6.7
119.08583	15.3
121.10143	18.9
123.11719	11.0
125.09641	10.0
129.06963	1.4
131.08589	12.5
133.10152	14.1
135.08006	2.5
135.11687	13.6
137.09615	4.2
137.13202	2.4
139.11191	1.7
143.08542	3.4
145.10129	9.1
147.08057	1.6
147.11700	9.0
149.13228	15.0
151.11191	1.9
155.10675	4.4
157.10175	2.4
159.11748	9.6
161.13254	7.4
163.14828	2.9
171.11711	3.1
173.11743	12.7
173.13298	7.9
175.14835	3.8
177.12718	2.2
179.14275	1.4
181.10121	1.5
182.40709	1.5
185.13319	1.6
187.14818	3.8
189.11206	9.6
195.13710	1.5
199.14790	1.5
227.12770	11.4
229.14340	32.1
231.15959	1.7
243.21149	3.1
259.20529	3.0
261.22177	26.0
279.22885	1.7
291.23090	1.6
299.23599	2.1
317.24808	4.1
321.78836	1.9
335.25787	21.2
379.29834	3.1
397.30865	6.9
415.32327	7.3
433.33533	7.1
471.34671	4.7
489.35736	29.4
507.26993	6.0
507.36694	17.9
507.40271	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	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01869	2.6
55.05516	17.5
55.20440	1.9
57.03430	2.6
57.07078	49.4
67.05140	4.1
67.05503	71.8
69.06731	3.0
69.07071	30.3
71.04977	5.4
71.08633	36.4
75.77254	1.9
79.05497	33.5
81.07058	82.4
83.04993	4.8
83.08613	26.7
85.06557	5.3
85.10178	23.3
90.77869	1.9
91.05476	15.9
93.07047	48.1
93.07640	2.6
95.04977	5.5
95.08609	52.2
97.06532	9.9
97.10175	12.3
99.08082	4.9
105.07037	8.0
107.08591	28.4
109.06503	2.4
109.10158	23.6
111.08071	6.6
111.11734	3.0
117.07034	6.4
119.08601	5.6
121.10148	17.0
123.11721	8.4
131.08609	7.3
133.10124	8.2
135.08041	2.6
135.11732	5.8
137.13301	2.6
145.10118	3.4
147.11722	3.4
149.13264	38.0
159.11723	14.3
165.09120	2.6
177.12697	4.5
195.13768	13.1
221.15376	9.4
239.23706	14.7
427.28326	2.2
476.81195	2.2
507.40543	100.0
508.40945	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01873	2.6
55.05514	20.0
57.03433	3.6
57.07080	44.1
65.03930	2.2
67.05508	62.5
69.07072	27.8
69.23397	2.9
69.23820	6.0
71.04991	4.4
71.08636	31.4
79.05500	30.6
79.05833	0.5
81.03433	1.3
81.07060	81.4
83.04979	3.4
83.08623	27.5
85.06545	3.9
85.10190	17.0
91.05487	14.3
93.07049	39.9
95.04982	4.0
95.08614	43.7
97.06530	9.4
97.10179	8.7
99.08107	2.8
99.11732	1.3
105.07014	4.6
107.08599	20.7
109.06516	1.9
109.10165	15.9
111.08074	5.4
111.11703	1.7
117.07038	6.0
119.08588	2.6
121.10153	14.2
123.11712	7.4
125.09713	1.3
125.13313	1.2
131.08588	7.5
133.10109	5.3
135.08099	1.8
135.11713	6.1
137.13298	2.6
147.11739	2.5
149.13268	29.3
149.14389	1.9
156.94701	1.0
159.11714	11.4
163.40930	1.0
165.16374	1.1
167.14365	1.6
177.12776	7.3
195.13866	8.9
213.14806	1.5
221.22592	1.5
239.23672	10.5
343.63730	1.1
365.04504	1.0
507.40512	100.0
508.40695	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	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01869	6.1
57.03429	2.8
61.02943	3.2
67.05520	2.7
68.99800	2.3
69.03434	11.7
69.07059	2.8
69.76815	1.8
70.06608	2.7
71.05003	2.9
71.48012	3.7
73.02912	3.0
79.05504	3.2
80.64941	1.8
81.03436	15.8
81.07051	4.3
85.02907	29.1
87.00844	12.4
91.05485	3.0
93.07055	2.3
95.08618	3.4
97.02896	17.9
97.06534	8.9
99.04482	6.9
105.01876	9.4
107.04958	12.5
107.08654	2.3
109.02883	13.5
123.04475	2.5
127.03933	14.9
129.01862	2.3
145.04976	9.2
153.07031	2.0
159.02933	7.1
165.07004	4.6
165.19638	1.6
167.08514	4.5
179.08511	2.3
182.07306	3.0
183.08047	5.9
194.07317	3.5
197.09653	8.9
201.46294	1.8
207.08060	5.4
207.17509	1.9
210.06754	2.8
211.07530	8.6
212.08290	2.8
215.10800	2.6
221.09599	3.2
224.08340	2.5
225.09111	13.9
228.07843	2.9
231.05067	3.6
235.07607	3.5
239.10703	5.5
243.10187	100.0
252.07704	2.9
255.10167	3.8
263.10818	2.5
265.08478	2.1
266.09457	3.0
267.10168	55.9
279.10068	3.2
281.11847	6.7
297.14911	4.4
305.11740	4.2
309.11206	31.2
318.21469	2.0
333.11197	11.6
351.12292	22.3
355.74927	2.1
381.21765	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05504	0.9
56.74226	0.8
57.03434	1.4
61.02928	1.3
62.84631	0.8
69.03441	4.1
70.06593	3.9
71.05195	0.9
71.05531	1.7
72.08152	1.5
74.06098	0.9
77.39550	0.8
79.05489	1.7
80.04998	0.9
81.03416	0.9
84.08163	1.1
85.02915	10.3
86.09696	2.3
91.05486	3.7
93.07036	3.6
94.68105	0.7
97.02885	2.8
102.94053	0.9
103.05460	2.5
105.07050	1.4
107.04963	6.4
107.07330	1.0
108.08104	2.2
109.02880	1.8
110.07163	1.3
119.04922	3.9
119.08610	0.8
120.08107	12.2
120.81718	1.0
121.06406	0.7
121.08873	1.7
121.10161	0.8
122.02704	0.9
122.09641	2.3
126.09149	2.6
127.03882	1.9
130.06561	1.4
136.07539	1.3
138.05511	0.8
138.06509	0.9
138.09135	13.5
145.04910	2.2
147.04408	6.4
148.04762	1.8
148.07581	32.4
150.09093	2.3
165.05518	0.9
166.08647	100.0
184.09677	2.9
191.14308	1.0
197.10312	1.0
207.13771	0.8
213.09135	7.8
225.14729	1.0
311.11374	1.0
328.13892	10.9
346.14893	2.8
396.06458	0.9
407.86261	0.8
508.28577	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	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05035	0.7
57.03444	0.3
58.06364	0.3
58.06615	0.4
60.07897	0.2
60.08165	5.9
61.47558	0.2
66.86848	0.2
67.05490	0.4
67.19265	0.3
67.40205	0.2
69.07058	0.4
69.75781	0.6
69.76197	0.6
71.07381	3.5
77.68758	0.2
79.05466	0.2
81.07065	0.3
85.77573	0.2
86.09710	30.7
86.14824	0.2
93.07044	0.4
95.08599	0.2
98.98479	2.9
104.10753	2.8
109.10147	0.3
112.83736	0.2
123.04457	0.2
125.00013	21.2
162.41537	0.2
178.05925	0.2
184.07350	100.0
185.07678	0.5
255.10083	0.3
263.87122	0.2
286.64813	0.2
351.69150	0.2
367.82388	0.2
383.40027	0.2
397.99442	0.3
423.32416	0.2
441.02203	0.2
448.12558	0.2
476.11533	0.2
490.33350	1.1
496.22391	0.3
508.13937	0.5
508.33984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1236
Annotation	emodin dianthrone
Peak:m/z	Relative Intensity
53.03954	0.4
55.05516	0.7
60.04511	0.5
67.05486	1.3
69.03433	0.6
69.98981	1.4
69.99379	0.9
72.08166	0.5
79.05479	1.4
81.07064	1.3
90.03864	0.5
91.05489	0.9
93.07041	1.3
95.04952	0.6
95.08575	1.1
97.02819	0.4
97.06564	0.5
103.05456	2.2
105.07008	0.5
107.04955	2.5
107.08573	0.8
109.06530	0.6
113.03906	0.6
117.03371	0.6
117.07029	0.6
117.95567	0.5
119.08578	0.6
120.08082	0.6
127.03880	0.5
131.04922	1.3
131.08650	0.6
133.10077	0.5
135.04460	1.1
136.07635	0.6
137.05989	0.7
141.03368	1.9
159.04422	1.1
161.82016	0.5
177.05475	6.1
187.03920	57.5
187.05017	9.6
188.04158	0.6
211.07578	0.9
227.07088	0.9
236.84608	0.6
237.05467	1.0
238.67738	0.5
239.07089	0.6
253.08739	0.7
255.10274	1.2
263.07147	1.6
280.07278	1.3
291.06467	1.2
321.08862	0.6
322.09851	1.2
323.09161	6.8
332.08405	0.8
334.09955	0.6
349.08185	0.6
350.09457	2.9
351.10233	0.7
360.07809	2.3
361.08612	4.2
362.09290	0.8
374.09592	0.7
375.10104	1.3
377.08008	3.2
378.08902	4.2
380.06677	0.7
388.07385	2.5
389.07925	4.5
390.08768	4.0
391.09677	1.1
392.06595	0.7
393.07404	1.3
393.11746	2.7
403.09561	2.6
404.10593	2.3
405.07446	1.6
406.08353	12.6
407.09137	2.3
408.06146	2.6
409.07288	0.6
416.06766	1.7
417.07574	15.6
418.08188	1.9
420.09885	1.8
421.06119	1.3
421.11365	7.3
423.08575	4.6
431.08917	3.0
432.09888	1.1
433.06293	0.9
433.11255	1.2
434.07718	6.4
435.08286	1.7
435.12857	1.6
436.09470	3.4
445.07028	4.0
446.07574	0.8
449.10236	25.4
450.10706	3.5
451.08099	1.6
459.08740	1.5
460.09464	22.1
461.10132	1.9
461.16476	0.5
462.07480	2.8
466.10513	1.1
476.09125	0.8
477.09698	43.1
478.09735	2.7
481.12775	4.1
491.11243	3.2
491.18265	0.9
509.12326	100.0
510.12625	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
57.90393	0.4
60.25229	0.4
70.06582	0.4
74.06084	0.4
77.03934	0.5
79.05478	1.7
81.11578	0.4
83.82296	0.4
85.02890	0.7
86.09711	1.8
90.76105	0.5
95.04967	1.5
105.04527	0.9
107.04959	100.0
108.05299	0.9
122.09501	0.5
167.08635	0.5
181.06464	4.6
209.05966	10.0
210.06789	1.1
221.06064	1.6
223.07617	0.4
226.06250	3.9
238.06226	1.1
241.08598	31.2
242.08942	0.5
253.08620	2.7
315.10062	0.8
347.12814	9.9
403.13821	4.7
509.17636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
67.05498	1.5
67.48025	0.6
69.03429	7.0
69.07058	1.0
70.67087	1.6
77.43502	0.6
79.05495	1.6
81.07053	1.9
85.02904	0.9
87.04461	1.9
91.05493	1.1
93.07023	1.7
95.08598	1.4
105.05524	0.8
105.06992	0.9
107.04941	1.2
107.08566	0.9
115.03918	1.3
115.05505	0.6
117.06989	0.7
119.08626	0.7
121.10125	1.1
131.08530	0.7
133.04961	2.2
145.10002	0.7
152.06224	1.3
153.06966	0.9
154.07747	0.6
157.10164	0.7
161.09607	0.7
165.06972	1.8
166.07813	0.7
167.08543	1.3
169.06485	2.2
171.07925	0.6
180.05789	0.8
181.06499	2.0
182.07349	0.7
183.08063	1.4
184.08907	0.6
195.08034	4.5
196.05244	0.9
196.08846	6.3
197.05980	2.6
197.09583	0.8
198.06752	0.9
209.05907	0.9
210.06761	0.7
211.07513	2.6
212.08315	8.6
213.09048	0.7
223.07474	1.1
224.08398	1.4
225.09084	1.4
227.07214	0.6
227.10674	2.6
239.07025	5.1
239.10587	0.8
240.07365	2.0
240.11490	0.8
241.08594	1.4
253.08662	5.5
254.09395	6.8
254.12109	0.7
254.13126	0.8
255.10172	100.0
256.10565	3.1
360.11301	1.0
371.10638	0.8
372.11188	1.0
387.10199	0.8
388.10950	2.3
400.10968	1.0
401.11935	0.6
402.12155	0.7
403.13773	2.9
404.10168	1.0
416.10056	0.9
418.11871	0.8
419.12711	2.4
430.11725	0.8
431.12961	4.2
434.15033	1.2
435.15802	1.4
445.13828	0.6
446.15359	7.3
447.12192	2.1
448.12927	0.8
449.17239	0.9
451.15784	0.9
461.14139	1.1
462.14734	4.3
463.15445	1.3
477.17102	9.5
478.17471	2.4
481.16986	0.6
494.16620	2.1
509.19962	16.5
509.33994	1.0
510.64011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.05030	0.8
57.05805	0.8
69.03413	0.8
69.07062	1.1
70.06586	2.8
71.48199	0.5
72.08157	57.7
79.05515	0.6
84.04488	0.7
84.08138	1.2
85.02902	1.1
86.09705	12.1
88.03992	2.7
91.05479	8.6
93.07043	0.6
98.02424	0.6
101.29488	0.4
104.35465	0.5
107.04956	3.2
109.06506	0.8
110.02397	0.8
113.07168	0.5
119.04939	7.7
120.08094	4.2
122.06010	0.7
127.03909	0.6
129.10275	0.7
132.10196	4.8
136.07579	100.0
137.05960	0.8
137.08014	0.6
141.10249	1.5
146.02811	0.4
147.04402	0.6
155.79782	0.5
166.08650	2.2
176.10817	0.4
183.11287	0.7
187.10815	1.0
201.12340	4.4
208.13120	0.5
212.09203	1.8
213.06622	1.1
226.08516	0.7
229.11923	1.5
233.09148	2.5
235.14413	34.7
241.09599	0.7
247.12889	10.5
251.10344	1.3
255.07607	0.6
255.11246	0.5
263.13907	11.9
269.09174	0.7
279.09726	6.2
283.10764	1.6
293.09085	0.7
311.10251	3.2
329.11346	5.4
347.12418	8.8
350.00214	0.5
361.82324	0.5
378.16617	8.3
407.86926	0.5
410.19354	3.1
491.16330	0.6
509.21686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56217	0.3
57.07043	0.9
57.99440	0.3
60.08154	0.6
67.05488	0.7
71.08621	0.7
71.43005	0.3
71.48540	0.5
81.07024	0.9
83.08574	0.3
85.10153	0.5
86.09673	1.1
90.08104	0.4
95.08588	0.9
101.41900	0.3
104.10735	2.3
125.00000	0.6
129.06953	0.4
141.06973	0.5
152.06139	0.6
153.06992	0.8
154.07732	1.0
155.08466	0.4
161.05888	0.5
165.06999	8.6
166.07704	1.0
167.08571	4.4
169.06464	1.0
169.10118	1.4
178.07758	0.8
179.08595	1.8
180.05627	0.3
181.06444	2.0
182.07262	3.7
183.07990	1.5
184.07315	2.1
184.08752	0.6
192.05688	0.6
193.06480	1.2
194.07253	3.2
195.08015	2.4
196.08856	2.4
197.06015	2.6
197.09621	13.2
198.06691	0.7
198.09949	0.3
199.07552	0.7
200.08376	0.3
201.09062	0.4
208.08846	2.1
209.05975	1.3
209.09631	4.0
210.06792	1.5
210.10236	0.5
211.07430	2.1
212.08313	8.0
213.05466	0.9
213.08963	1.6
214.09554	0.4
215.10716	0.7
223.07552	1.0
224.04535	0.4
224.08336	4.5
225.05479	0.8
225.09090	15.6
226.09445	0.9
227.07080	0.5
227.10600	1.0
228.07808	4.0
229.08530	0.5
237.08778	0.3
238.09903	0.6
239.07080	2.3
239.10664	10.0
239.23666	0.8
240.11446	64.4
241.08569	1.7
241.11792	1.3
242.09090	0.7
243.10138	7.7
244.10495	0.7
253.08620	1.4
254.09337	0.6
255.10152	18.6
256.10715	3.4
257.08389	0.3
257.11316	1.1
267.10147	1.5
271.09625	6.6
272.10043	0.5
313.27426	2.0
364.23300	0.3
375.95026	0.3
420.13431	0.4
421.13974	0.7
436.16501	0.4
452.15939	0.7
464.15945	1.5
467.18231	0.6
479.18268	3.7
482.20483	1.2
495.18091	4.6
510.20343	100.0
511.20615	2.6
511.89926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01879	0.4
65.03917	0.4
67.05483	0.6
69.03418	1.0
69.07071	0.5
70.03687	1.9
70.06593	0.8
71.33020	0.3
79.05491	1.9
81.03396	0.4
81.07049	2.1
83.01273	0.4
85.02908	2.1
91.05482	1.7
93.07026	0.6
95.04960	1.0
95.08585	0.4
97.02911	0.6
97.06583	0.5
105.07033	0.9
107.04954	100.0
108.05277	1.5
109.02894	0.4
109.06494	0.7
109.10151	0.4
119.08584	1.7
121.02875	0.4
121.08710	0.4
133.06512	0.5
133.10136	0.5
137.05974	1.2
137.09630	0.8
138.06276	0.4
147.08020	0.5
161.09674	1.1
165.06961	0.5
183.08009	0.7
207.10123	2.1
211.07558	3.5
214.08698	0.4
222.06761	0.8
223.07530	1.7
224.08328	0.5
225.09134	1.0
225.11182	8.0
227.07050	1.2
237.09134	0.7
239.06976	3.1
241.08594	1.2
242.09352	3.7
253.08569	2.2
254.09299	5.9
255.10042	0.8
305.11365	0.5
315.10172	0.5
317.11777	1.1
320.13708	0.6
331.13303	0.5
333.11273	1.3
348.13535	29.2
349.13892	0.5
372.12946	0.5
501.14859	0.4
510.18335	0.7
525.76245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98529	1.8
55.05511	6.2
57.03440	3.3
57.07083	46.5
60.08173	17.5
61.02914	2.2
62.43262	1.9
67.05521	11.4
69.07087	12.0
70.44768	7.1
71.07372	7.3
71.08642	35.3
81.07061	17.9
83.08640	14.9
83.83214	2.3
85.02908	3.6
85.10195	21.9
86.09714	50.6
95.08616	27.7
97.10180	7.5
98.98479	4.6
99.11762	2.2
104.10757	92.2
107.04963	3.9
109.10168	10.2
110.09402	2.4
123.11700	6.4
125.00005	25.6
158.06842	1.9
181.06471	2.2
184.07356	81.1
229.62103	2.2
239.23692	29.0
257.24991	2.9
291.00409	2.0
313.27374	100.0
327.29282	2.8
331.28476	8.6
367.01501	2.5
391.26053	2.7
403.33527	2.3
480.01883	2.2
492.34558	7.9
510.20572	4.6
510.35687	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23043	2.6
51.33327	2.7
51.56151	3.1
55.05504	13.4
57.03449	4.9
57.07076	77.1
57.18044	3.0
60.08153	8.9
67.05515	20.9
67.65553	2.9
69.03421	7.1
69.07053	12.4
71.07339	3.4
71.08628	50.3
71.21938	2.9
71.22291	6.2
77.81649	3.1
81.03389	3.1
81.07050	28.1
83.08618	17.9
83.89902	3.5
85.02906	17.7
85.10183	30.2
86.09708	31.8
88.36631	3.3
93.07013	4.9
95.08607	51.7
97.02877	8.7
97.10167	10.0
104.10735	48.2
109.02888	5.5
109.10133	18.4
123.11722	10.9
125.00008	14.5
127.03912	10.6
137.13269	5.1
145.04961	7.4
165.06998	3.4
173.09723	3.4
184.07358	57.5
190.46156	3.2
190.47942	3.1
211.07663	4.2
239.23663	65.8
257.24771	4.9
313.27347	100.0
326.07547	3.9
331.28464	10.8
383.27826	16.4
401.29105	29.4
449.14020	3.9
492.34006	5.7
510.20319	29.4
510.35870	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	510.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87252	1.8
55.05511	3.4
57.06799	1.8
57.07081	33.8
67.05511	1.8
69.07064	6.5
69.74387	8.7
71.08635	30.2
73.06550	6.4
73.57546	1.4
81.07059	4.3
83.08616	4.6
85.10182	14.3
87.04469	3.7
88.07661	1.7
89.06036	100.0
95.08613	3.3
97.10191	4.2
98.21510	2.0
99.11701	3.8
111.11719	2.6
113.13309	1.5
117.09107	2.6
125.13293	2.6
130.08624	1.7
131.08603	1.6
133.08618	44.9
163.98660	1.6
177.11240	18.2
217.15318	1.5
231.33453	2.3
239.15063	3.3
258.75809	1.5
283.17548	18.3
299.29431	5.7
493.41098	15.8
510.48889	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	511.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01830	1.6
55.05476	2.0
57.03410	1.5
61.02900	1.4
67.05501	4.6
69.03377	2.0
69.07013	2.0
69.90124	1.3
69.90479	2.9
71.04960	1.2
72.65909	0.7
73.02911	1.1
77.78429	0.7
79.05495	3.5
81.03375	3.0
81.07069	4.6
83.04951	1.4
83.08586	1.2
85.02863	2.8
91.05471	5.2
93.07013	4.5
95.04922	1.7
95.08622	3.7
97.02844	2.7
101.73344	0.7
103.05424	2.3
105.07026	4.1
107.04957	3.9
107.08566	2.9
109.02840	2.5
109.10143	1.6
117.03379	1.2
117.07023	1.0
119.08527	3.0
121.06471	1.5
121.10086	1.7
123.08004	0.8
127.03889	1.3
129.06938	1.5
131.04939	5.3
131.08542	2.6
133.10097	3.0
135.11617	1.3
137.05981	2.0
141.06953	2.0
144.05635	0.8
145.02795	1.9
145.06479	1.4
145.10057	1.1
147.04407	1.5
147.11667	1.8
149.09570	1.1
149.13280	0.9
151.11304	1.0
153.07016	6.0
155.04871	0.8
155.08563	3.8
157.06529	3.6
157.10173	1.3
159.07961	0.7
159.11664	1.5
163.07495	0.9
163.11169	1.5
165.07013	9.3
167.08485	2.0
168.05769	3.3
169.06526	3.7
169.99707	0.7
170.07207	1.5
171.04364	0.9
171.08017	1.9
173.09593	0.9
173.13292	1.3
177.05556	3.6
177.06816	1.1
177.09094	0.8
179.08487	0.8
181.05008	1.2
181.06467	15.3
182.07285	6.2
183.08041	11.1
185.05960	2.4
185.09598	1.8
187.07527	2.4
193.06465	2.1
193.12305	0.9
194.07198	0.8
195.08054	3.2
196.05203	13.0
197.05931	7.1
197.09688	3.5
198.06760	12.3
199.07539	7.1
200.08208	2.2
209.05957	4.4
210.06726	5.3
211.07561	32.6
212.04912	0.9
212.08328	13.9
213.05560	3.5
213.09111	7.4
215.07002	1.2
215.10698	1.8
223.03854	0.7
225.05518	8.7
225.09079	6.2
226.06224	7.3
226.09673	1.3
227.07057	9.2
228.07802	12.9
229.08485	2.8
239.07014	13.1
240.07787	5.9
241.08604	45.3
242.09390	13.7
243.10188	24.2
243.12326	0.5
253.08495	0.8
255.06482	2.0
255.10205	1.5
256.07306	2.4
256.10968	0.9
257.08142	4.6
257.19199	1.0
269.08124	8.8
270.08841	3.1
271.09656	100.0
272.10391	17.4
275.20065	6.8
293.21082	1.2
347.10721	1.7
348.11304	1.1
349.12347	1.3
349.23746	4.0
359.10474	0.9
365.11844	0.9
371.10730	1.2
375.10052	1.6
376.10956	1.7
377.11963	1.6
387.10214	2.3
388.10855	1.1
391.13394	1.2
393.11185	1.2
401.11810	0.8
403.09625	1.7
404.10190	1.9
405.11285	2.1
407.12933	1.3
408.13351	1.7
418.12094	1.3
419.12958	5.5
420.13745	1.7
421.10144	0.9
432.09882	1.5
433.10770	2.0
435.12323	2.1
436.13235	1.7
447.12534	4.3
448.13004	4.3
451.15540	4.1
461.14120	1.0
464.12607	2.2
468.15497	1.3
479.14948	14.3
480.15826	1.4
483.18073	1.1
493.17090	1.4
496.15558	1.2
511.17487	72.4
512.18243	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	511.2115
Annotation	7-Hydroxy-5-methoxyflavan-(4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
58.06608	1.0
67.05477	0.9
71.10029	1.3
82.73582	0.8
83.04979	3.4
91.05450	1.3
121.06552	1.3
141.06978	0.9
153.07036	0.8
161.06097	0.9
165.07057	2.6
167.08638	1.0
169.06477	1.4
177.09103	1.3
179.08760	0.9
180.05698	1.2
181.06517	2.1
182.07356	1.0
183.08047	1.8
187.07475	1.3
195.08051	6.4
196.08859	4.8
197.06042	3.0
197.09645	1.3
198.06697	1.0
201.09201	2.5
203.10745	1.2
210.06909	1.1
211.07584	2.9
212.08327	7.6
213.09070	4.1
223.07607	2.4
224.08354	2.8
225.09084	4.5
226.09872	1.4
227.10631	4.9
237.09081	1.4
239.07053	1.7
240.07820	2.8
241.08589	4.1
242.09225	1.3
251.47456	0.9
253.08620	1.6
254.09227	0.8
255.10168	64.8
256.10910	20.3
269.11682	1.1
280.10928	0.8
281.11761	1.3
360.11139	1.1
361.12329	0.9
373.11975	0.9
374.13306	1.1
375.13754	1.2
385.12692	0.9
386.12659	0.9
387.14017	1.6
388.14740	1.8
389.11478	1.8
393.14709	1.4
399.14072	1.0
403.13373	3.3
404.13904	4.6
405.14807	1.7
406.11295	1.1
415.13492	2.3
416.14111	3.0
418.15866	1.7
419.16635	5.0
420.13254	2.0
421.14127	1.8
429.14584	1.0
430.15710	2.3
431.12225	1.4
432.13452	3.2
433.14328	3.2
435.15823	2.5
436.16373	2.7
437.17316	1.6
445.14362	1.9
446.15262	3.6
447.15958	11.5
448.17059	4.7
449.13199	1.7
451.18854	3.6
452.32584	1.8
461.17365	3.0
462.18304	9.9
463.15207	4.4
464.16376	3.8
465.16849	4.3
468.18991	1.8
477.16885	1.2
478.17596	7.3
479.18588	19.8
480.19919	8.5
481.15817	1.7
483.21320	1.2
493.20190	14.0
496.18491	6.9
511.21014	100.0
511.36810	2.5
512.21680	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	511.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.7
57.11613	0.5
66.89758	0.6
67.05515	0.8
70.00146	2.4
79.05500	0.8
81.07066	1.0
85.02925	0.6
89.06042	1.4
93.07048	0.5
105.07027	0.7
107.04987	0.6
131.04907	0.6
133.08537	0.8
145.10103	0.7
151.07579	0.9
152.06219	1.1
153.06990	1.0
159.08038	0.7
161.05940	0.9
165.07021	2.2
166.07672	0.7
167.08592	1.1
168.05762	0.9
169.06494	1.2
171.08055	1.2
177.09070	1.1
179.37737	0.5
180.05701	1.1
181.06499	2.8
182.07094	0.6
183.08109	2.1
184.08829	0.7
189.09068	0.7
191.10808	0.8
194.07245	0.8
195.08095	6.0
196.08784	3.7
197.06038	2.0
197.09521	1.0
198.06760	1.2
199.07634	1.2
201.09134	1.6
203.10735	1.2
209.05974	0.9
210.06718	1.2
211.07486	3.6
212.08278	6.4
213.09067	3.8
214.09534	1.0
223.07593	2.0
224.08334	1.5
225.09071	3.9
226.06053	0.9
226.09904	2.3
227.10649	4.1
238.10095	0.8
239.07030	3.3
239.10698	1.0
240.07693	3.8
241.08624	5.9
242.09158	0.9
243.09898	0.7
253.08655	1.9
254.09218	0.8
255.10181	65.8
256.10916	23.5
257.11331	0.9
269.11798	2.0
280.10779	0.6
296.13647	0.6
343.11066	0.6
345.12823	0.7
360.11304	1.0
361.12308	0.9
372.11469	1.1
373.12366	0.9
375.13919	0.7
376.14618	1.2
379.12830	0.7
385.12122	0.7
386.12927	0.8
387.13849	1.2
388.14771	1.4
389.11606	0.9
392.13818	0.7
402.12186	0.7
403.13718	1.3
404.14240	2.7
405.14929	1.1
410.42749	0.5
415.13376	1.6
416.14166	2.2
417.15118	1.2
419.16611	3.5
420.13428	1.6
421.14133	1.6
430.15839	1.5
431.12891	1.8
432.13702	1.7
433.14261	1.3
435.15881	1.6
436.16592	1.8
437.17761	1.1
438.14276	0.7
445.14597	0.8
446.15231	2.2
447.15967	8.4
448.16873	2.3
451.19168	2.1
453.16898	0.7
461.17859	0.9
462.18509	9.1
463.15317	2.9
464.16055	2.8
465.16904	3.1
468.18872	1.3
478.17746	5.2
479.18579	12.5
480.20175	6.4
481.16095	1.2
493.20413	9.9
495.99649	0.6
496.18604	5.5
511.21042	100.0
512.21698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03292	4.3
51.02383	6.7
53.03937	16.9
55.01869	14.1
55.05512	38.2
56.78687	4.4
57.03432	26.6
59.44053	3.8
61.02917	12.7
65.03941	4.6
67.05510	97.5
69.03432	50.8
69.07072	31.2
70.06595	4.4
70.13335	20.3
71.01348	6.1
71.04998	14.4
71.86727	4.1
73.02906	11.3
79.05502	73.1
79.64714	4.1
81.03424	68.0
81.07063	100.0
83.04977	21.7
83.08628	20.9
85.02912	42.2
85.06514	8.3
91.03965	10.3
91.05489	91.3
93.07047	84.8
95.04973	27.5
95.08615	52.9
97.02892	42.3
97.06537	19.9
97.10175	6.5
99.04449	14.2
101.02380	8.3
103.03950	7.4
105.07039	76.0
107.04971	32.4
107.08597	50.3
109.02895	14.0
109.06518	13.1
109.10173	39.9
111.04488	10.8
111.08076	7.6
115.05468	6.3
117.07022	32.6
119.08609	57.1
121.06513	8.3
121.10191	30.8
123.04446	5.9
123.08113	12.3
123.11714	10.4
125.09583	9.0
127.03913	26.8
129.06998	20.0
131.04977	7.9
131.08569	59.6
133.06444	6.1
133.10155	47.6
135.04373	5.0
135.08092	6.3
135.11703	17.0
137.05981	9.8
137.09625	7.4
139.11194	5.4
141.06963	6.7
142.07887	6.1
143.08575	21.7
145.04945	6.4
145.06502	6.4
145.10110	32.6
147.08052	9.3
147.11656	21.3
149.09627	14.3
151.11218	6.0
155.08615	10.6
157.06503	5.1
157.10114	17.8
159.08070	8.2
159.11716	29.0
161.09726	5.4
161.13274	7.2
163.11185	12.9
169.10178	10.4
171.11693	14.7
173.04424	12.6
173.09685	5.7
173.11823	8.2
173.13260	16.3
175.11134	6.3
177.12788	10.4
183.11600	6.7
185.13313	4.5
187.06041	8.9
189.12737	5.7
195.11687	5.0
197.05980	6.4
197.13257	4.9
201.07567	5.6
213.12772	4.8
227.06996	5.1
229.14294	9.4
238.42963	4.7
239.18040	8.8
241.08606	12.9
242.09421	16.1
257.19022	14.6
271.05798	5.5
275.20090	76.1
289.79926	4.7
291.19543	5.3
293.21286	6.4
309.20740	5.4
331.22604	13.4
349.23715	86.9
381.18774	4.2
386.48901	4.5
453.25031	9.7
475.27106	6.4
493.12299	5.5
493.27792	8.5
511.14227	14.7
511.29285	36.0
535.06628	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	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01866	11.8
55.05517	28.8
56.56538	2.9
57.03447	30.4
61.02924	9.3
65.03938	3.9
66.66566	2.8
67.05508	78.6
69.03439	37.5
69.07082	23.1
69.91173	13.7
69.91557	5.4
71.01368	3.0
71.04979	13.1
73.02931	6.1
73.21841	3.3
79.05494	59.0
81.02991	5.3
81.03429	63.3
81.07062	100.0
83.04995	25.5
83.08627	8.9
85.02908	37.4
85.06544	7.1
91.05484	64.2
93.07051	56.9
94.65277	3.0
95.04967	15.5
95.08611	50.2
97.02899	33.0
97.06525	14.6
97.10178	5.8
98.21472	4.5
99.04452	14.6
99.08067	4.9
103.03928	4.2
105.07038	58.5
107.04955	11.8
107.08615	33.0
109.02873	13.6
109.06529	11.6
109.10167	19.7
111.04472	6.1
111.08092	5.9
113.06068	3.1
117.07005	18.0
119.08595	46.6
121.06490	11.7
121.10161	25.5
123.04430	3.6
123.08072	5.8
123.11697	11.2
125.09623	5.5
127.03934	29.1
129.05534	6.4
129.07008	12.1
130.07790	3.9
131.04932	4.6
131.08588	35.9
133.06520	4.6
133.10143	43.8
135.08020	8.8
135.11702	15.5
136.71262	3.3
137.09650	4.9
143.08557	12.9
145.10107	28.3
147.08124	3.6
147.11713	24.9
149.09639	10.7
149.13281	15.6
151.11160	3.8
155.08571	8.3
156.49396	3.0
157.10118	9.0
159.08015	5.3
159.11700	24.8
161.09637	4.5
161.13258	11.4
163.11171	9.3
165.12822	5.5
169.10085	6.4
171.11687	8.4
173.04477	13.5
173.13290	9.0
175.11148	5.2
177.12801	8.2
181.10316	3.6
183.11736	3.8
185.13304	3.6
186.26498	2.9
195.13867	14.1
197.13290	3.6
201.12666	4.0
216.86847	3.1
229.19563	7.0
239.17944	4.0
247.20685	11.2
257.18893	14.6
261.25412	3.0
269.17450	11.5
275.20062	64.1
293.21109	7.2
322.32834	3.4
331.22806	3.7
349.23749	60.1
363.15451	3.4
367.24701	4.3
400.33582	3.3
413.21762	23.0
493.27747	10.3
511.17099	11.1
511.29172	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.4
53.03945	13.6
54.22453	2.2
55.01876	10.2
55.05513	22.5
57.03436	39.6
57.07072	2.1
57.93331	2.1
61.02923	26.8
65.03941	5.2
67.05505	52.0
69.03093	2.3
69.03437	34.1
69.07072	20.2
69.20007	21.4
70.06573	3.5
71.01370	3.9
71.04996	12.4
72.08142	4.3
73.02908	17.0
75.04478	2.6
77.03921	2.1
79.05495	61.5
81.03417	28.6
81.07056	71.3
83.04974	8.9
83.08612	15.1
84.08165	2.5
85.02902	36.9
85.06533	5.8
89.06023	3.1
91.03951	13.2
91.04907	4.8
91.05483	100.0
93.07046	62.9
95.04965	14.4
95.08606	48.1
97.02903	37.3
97.06534	13.5
97.10130	2.9
98.20808	4.0
99.04451	9.6
99.08099	5.3
101.02387	6.7
101.60007	1.9
103.03937	8.5
103.05462	5.6
105.06316	4.3
105.07030	86.8
107.04958	26.2
107.08593	36.8
109.02853	13.3
109.06516	14.1
109.10182	16.8
111.04436	4.4
111.08077	6.4
113.05979	3.5
113.09660	3.4
114.22492	2.4
115.03902	3.6
115.05453	5.7
116.06195	3.0
117.07016	46.3
119.08581	67.8
121.06505	8.5
121.10152	18.9
123.04451	2.1
123.08083	9.1
123.11753	3.8
125.06027	3.9
125.09675	4.0
127.03919	16.7
128.06215	6.9
129.05505	3.9
129.07013	19.2
130.07838	2.6
131.04932	3.8
131.08563	54.0
133.06511	3.3
133.10120	37.0
135.08055	8.7
135.11705	13.3
137.06001	6.1
141.07027	12.1
142.07816	3.8
143.08566	24.5
144.09264	2.9
145.05017	4.8
145.06421	3.2
145.10130	56.9
147.08070	6.2
147.11697	28.8
149.09630	13.1
149.13266	5.0
151.11205	3.5
155.08574	13.4
156.09251	2.3
157.06520	2.2
157.08911	4.2
157.10127	24.5
159.08055	3.9
159.11703	57.4
161.09602	7.0
161.13251	20.2
163.11226	11.0
163.14804	2.8
165.09148	3.5
167.07127	2.7
167.08562	6.2
169.06508	3.0
169.10109	13.4
171.08060	3.3
171.11687	16.5
173.09619	6.4
173.13286	24.5
175.11150	5.1
175.14870	6.1
177.12665	3.9
179.08514	2.9
183.06526	3.4
183.08112	2.2
183.11699	19.3
185.09653	4.0
185.13274	23.1
187.11220	5.2
187.14769	6.5
189.11172	3.1
189.12724	3.7
191.14250	2.6
195.11725	3.7
197.13216	10.9
199.11285	4.1
199.14828	4.0
201.07552	2.8
201.12813	5.6
201.16403	4.1
203.14354	11.4
205.15862	2.9
211.14880	6.2
213.16330	3.8
215.09081	3.1
215.14261	2.7
215.17899	2.8
217.15855	4.5
219.17436	9.4
225.12567	2.4
229.19527	9.2
237.16344	3.1
239.17973	21.9
247.20573	4.6
255.17545	3.6
257.07983	2.7
257.19009	42.2
259.20740	2.4
273.18369	2.8
275.20071	50.8
277.18112	6.2
293.21136	6.2
299.20023	6.4
306.37314	2.1
321.20465	2.6
327.19669	2.5
331.22653	10.9
347.22183	4.1
349.23749	92.2
361.96054	2.1
373.23654	5.7
377.23477	2.7
383.22311	2.3
391.24820	5.8
401.23270	2.3
439.25049	3.4
457.25781	6.4
475.26718	3.3
479.14594	3.6
493.27863	8.0
510.42172	2.7
511.09552	4.4
511.17139	4.0
511.28879	19.5
511.42773	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70338	3.8
53.03946	19.8
55.01864	13.4
55.05512	28.7
57.03437	25.2
57.07070	3.8
61.02920	6.0
62.12976	3.1
62.39801	3.3
65.03945	6.6
65.83721	3.3
67.05505	73.6
69.03432	52.9
69.07072	18.5
70.92299	9.6
71.04984	12.1
73.02915	8.5
79.05495	59.2
81.03419	79.7
81.06600	5.3
81.07059	100.0
83.04975	19.6
83.08610	15.3
85.02899	26.4
85.06552	4.9
91.05482	57.7
93.06492	5.3
93.07043	61.6
95.04959	16.2
95.08612	39.2
97.02892	47.6
97.06525	12.5
97.10195	5.0
99.04449	15.9
99.08093	6.3
101.02353	5.6
103.03965	5.0
105.07032	49.3
106.88960	3.1
107.04960	15.5
107.08594	32.0
109.02883	11.2
109.06504	7.2
109.10166	19.1
111.04430	5.4
115.05486	4.0
115.81477	3.4
117.07004	22.1
119.08573	39.5
121.06509	10.7
121.10139	18.3
123.08028	8.4
123.11727	4.4
127.03913	30.3
129.05466	5.4
129.07022	9.8
131.08574	28.8
133.06464	4.6
133.10162	36.8
135.08028	11.4
135.11697	14.6
137.09630	7.8
143.08575	7.7
145.06532	4.2
145.10127	18.2
147.08147	4.4
147.11678	19.0
149.09645	8.3
149.13260	14.7
151.11179	4.3
155.08597	5.5
157.10150	11.8
159.11717	23.6
161.13217	5.2
163.11140	4.7
165.12740	5.8
169.10149	7.1
171.11719	9.0
173.04507	27.0
173.13252	11.7
177.12776	10.1
179.14507	3.5
185.13293	4.5
189.09103	3.5
195.13792	12.3
197.13191	4.8
226.39864	3.8
239.17999	7.8
241.08392	3.7
257.19028	8.7
269.17545	4.8
275.20074	49.3
331.22754	5.7
349.23697	41.4
357.52808	3.9
413.21793	45.1
493.28311	8.1
511.29117	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01860	2.6
55.05505	5.6
57.03440	11.4
61.02927	14.8
67.05507	16.8
69.03422	6.7
69.07055	4.3
70.93063	3.3
71.01346	1.7
71.04998	2.0
73.02917	9.0
79.05495	18.6
80.39416	1.5
81.03409	5.9
81.07061	16.1
83.04975	3.5
83.08629	3.0
85.02903	14.8
85.06550	3.8
91.03954	10.2
91.05484	23.8
93.07045	17.6
95.04954	2.4
95.08611	12.3
97.02885	13.0
99.04453	5.2
101.02385	3.7
103.03918	1.5
105.06512	1.4
105.07043	16.2
107.04970	3.8
107.08586	10.0
109.02908	4.2
109.06539	3.1
109.10148	5.6
114.67366	1.4
117.07018	10.2
119.08568	14.7
119.57979	1.5
121.06542	2.5
121.10165	7.9
123.08038	2.7
127.03912	6.8
129.07019	4.7
131.08565	15.6
133.10114	10.4
135.08040	4.0
135.11661	4.1
137.09641	2.0
143.08575	2.6
145.10130	8.4
147.11682	5.7
149.09575	3.8
151.16992	1.5
157.10178	3.2
159.11705	6.2
161.13232	2.7
173.13237	3.0
175.14792	1.6
177.78136	1.8
184.05205	2.0
185.13257	4.1
201.16321	3.6
203.14268	5.1
212.04683	5.3
213.09047	2.0
217.16049	1.6
219.17433	100.0
227.07069	6.6
239.17889	2.3
241.08614	5.9
255.06609	14.0
255.10219	4.6
256.10870	1.9
257.08044	3.1
257.18945	2.6
269.08118	4.7
275.20041	21.3
326.06351	1.5
347.12012	1.6
349.23651	18.0
379.09616	1.8
434.11417	2.0
448.62198	1.5
451.11777	3.0
465.13205	2.2
479.11066	2.3
483.14093	12.3
493.12540	2.8
511.14035	7.1
511.29010	3.2
530.92859	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01864	12.5
55.05505	12.7
57.03434	9.6
61.02651	3.8
61.02929	38.2
67.05505	34.8
69.03435	14.8
69.07066	27.2
69.99294	5.6
69.99689	7.7
71.04975	3.3
73.02916	11.4
73.08042	2.7
73.49334	2.7
75.47864	2.9
79.05495	32.2
81.03413	24.1
81.07058	52.0
83.04974	4.9
83.08627	11.0
85.02908	29.4
91.03967	14.2
91.05484	44.7
93.07037	35.5
95.01344	6.0
95.04972	9.6
95.08614	29.3
96.28684	2.6
97.02905	20.6
97.06516	19.2
97.10156	3.3
98.20784	3.0
99.04430	4.0
101.02373	8.4
105.07030	65.1
107.04974	15.3
107.08595	14.8
108.47708	2.6
109.02890	8.3
109.06518	5.8
109.10154	7.8
117.07020	15.3
119.08582	40.5
121.06479	6.4
121.10151	13.3
123.08056	5.0
123.11710	3.2
127.03915	13.9
131.08545	25.3
133.10133	43.2
135.11690	5.1
143.08575	3.0
143.89774	3.3
145.04958	4.6
145.10136	24.5
147.11690	16.4
149.09663	4.2
149.13232	4.5
157.10143	5.3
159.11713	11.1
160.93021	2.9
161.13293	4.0
163.11234	4.7
169.10237	3.4
171.11673	5.2
173.13206	6.3
177.12712	4.2
179.14355	15.5
181.06386	2.9
183.06544	4.8
183.11734	4.5
187.11264	3.7
197.13283	4.1
211.07755	3.3
212.08151	3.0
213.09232	4.2
227.06912	4.3
229.19534	3.9
239.07071	4.2
239.18011	4.0
241.08621	28.4
244.86771	3.9
247.20645	5.7
255.10268	5.9
257.19034	7.6
269.08102	3.7
275.20074	100.0
293.20947	4.4
349.23697	37.7
419.13095	4.5
435.12143	4.2
436.12924	3.6
448.13043	3.4
451.15369	5.0
479.14633	14.3
480.15955	2.9
493.28101	4.8
511.18057	21.2
511.28821	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01860	4.9
55.05511	17.4
57.03437	10.3
59.04975	2.3
61.02929	25.1
65.03934	3.0
67.05504	30.6
69.03429	13.5
69.07070	11.5
69.26366	17.9
71.04984	7.0
73.02917	11.0
76.64992	1.8
79.05495	34.9
80.22323	1.7
81.03422	13.4
81.07056	29.7
83.04967	9.2
83.08588	6.1
85.02906	25.7
85.06499	1.8
91.03955	14.5
91.05482	36.8
93.06577	2.1
93.07053	26.6
95.01273	2.1
95.04949	4.4
95.08617	19.6
97.02887	25.3
97.06499	4.2
97.10166	2.6
99.04453	3.3
101.02348	5.7
103.03903	2.8
105.06315	2.5
105.07031	45.7
107.04947	13.2
107.08579	25.5
109.02880	9.7
109.06460	4.4
109.10152	12.6
111.04343	2.0
111.08118	2.8
114.36431	1.8
115.05425	2.6
117.07027	15.3
119.08589	34.6
121.06504	4.6
121.10144	15.3
123.08018	2.8
123.11703	2.8
125.09619	2.7
127.03923	11.2
129.07011	4.9
131.04938	2.7
131.08566	15.9
133.10127	36.5
135.08025	3.7
135.11670	4.3
137.09628	5.3
143.08568	5.0
145.04895	2.1
145.10123	12.9
147.11690	22.1
149.09598	19.6
149.13211	2.6
151.11147	2.6
153.06993	2.1
155.08571	3.3
157.10107	3.1
159.11743	10.3
161.13200	9.3
163.11143	2.8
163.14772	3.1
163.76576	2.0
165.06932	4.4
168.05612	2.5
169.06487	2.9
171.08049	3.7
171.11606	3.3
173.13264	8.1
175.11195	2.6
181.06500	6.5
183.06425	2.4
183.07974	3.2
187.11215	2.9
187.14745	2.4
195.08035	9.9
196.08804	5.8
197.05934	6.6
197.09669	3.1
197.13274	4.2
198.06715	6.1
199.07545	2.8
210.06737	3.5
211.07535	4.8
212.08281	14.2
213.09012	5.5
224.08092	2.6
225.09071	4.7
226.06230	3.6
227.07016	2.8
227.10622	4.0
229.19476	5.4
238.09787	2.0
239.07007	2.7
239.17969	3.6
240.07727	4.8
241.08601	20.8
247.20534	7.5
253.08655	3.1
255.10161	100.0
256.10907	28.2
257.18918	8.1
269.08185	18.0
269.10809	2.7
271.09726	4.8
275.20056	93.1
286.71808	2.2
293.21201	2.2
349.23715	34.2
368.33157	2.5
386.12900	2.0
403.13278	3.8
416.13953	2.5
419.16562	3.8
431.12836	2.1
433.14587	3.6
447.15860	7.6
448.16757	8.8
457.25879	2.5
461.17331	2.9
462.18066	6.7
465.16867	2.4
478.17490	3.0
479.18692	17.2
480.19098	6.0
483.19113	2.6
493.19684	10.3
493.27014	3.4
496.19077	2.8
511.21918	49.8
511.28848	5.3
525.35352	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	511.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42267	5.7
53.03945	9.1
55.01864	8.4
55.05512	41.2
56.88954	5.7
57.03430	5.5
57.07079	11.5
65.03938	8.0
66.67948	5.2
67.05502	69.6
69.03425	12.0
69.07067	45.5
69.14240	13.6
69.14643	51.1
79.05524	36.8
81.03419	16.1
81.07068	64.1
82.33030	5.7
83.08624	17.4
85.02902	7.6
87.04485	8.1
89.06027	17.1
91.05492	33.6
93.07058	43.5
95.04974	6.5
95.08612	59.9
97.02911	14.5
97.06527	7.6
97.10191	9.0
98.01445	6.6
98.20781	11.7
98.98456	16.9
103.03954	7.3
105.07043	43.6
107.04966	87.6
107.08593	19.7
109.02822	6.6
109.10166	20.0
111.04448	19.7
115.05444	9.1
117.07014	16.6
119.04979	7.9
119.08577	21.9
121.06472	11.4
121.10151	15.8
123.11749	13.0
128.06236	10.0
129.06995	20.7
131.04961	29.1
131.08595	24.8
133.06508	13.0
133.08623	12.4
133.10123	15.0
135.11714	11.2
141.07027	18.3
143.08554	19.9
144.05716	27.5
145.06535	43.1
145.10123	24.4
147.08049	12.9
147.11705	17.1
149.13258	8.6
151.03925	10.8
153.06952	7.3
155.08562	24.3
157.06512	57.7
157.10110	13.7
159.08099	19.3
159.11664	17.8
161.09633	8.7
161.13350	7.9
165.07004	6.4
167.08510	7.5
169.06543	35.1
169.10139	10.1
171.04427	14.1
171.08069	35.5
173.05960	26.4
173.09599	7.1
173.13333	9.1
175.14864	6.3
175.53177	6.6
179.08528	10.3
181.06529	31.0
181.10132	13.9
182.07283	14.4
183.08116	37.5
183.11722	8.7
185.09671	23.5
185.13362	8.3
187.07594	14.1
193.10121	6.5
194.07254	11.9
195.08051	36.6
197.05983	23.9
197.09592	31.4
199.07494	12.2
199.11238	14.3
201.12752	7.2
203.07088	12.1
207.08052	23.5
209.09662	22.7
209.13229	6.1
211.07567	11.9
211.11194	21.3
213.12730	11.3
215.07053	40.0
215.14421	6.8
219.08115	12.4
221.09644	17.0
223.07600	15.9
223.11139	12.8
225.12817	16.3
227.14256	7.0
233.08118	18.8
235.07576	7.0
235.11060	11.3
237.12825	18.6
239.10727	10.7
239.14322	6.3
247.07462	9.3
247.11105	10.5
249.09131	7.5
251.14371	8.1
253.08594	19.2
265.08585	9.4
339.28775	34.7
391.26450	20.2
407.25790	10.1
421.27271	12.4
433.27292	21.1
437.34290	11.1
447.28931	34.0
457.27536	32.1
475.28427	100.0
493.29486	34.8
511.30319	36.8
511.37729	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	511.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	3.1
53.03933	7.3
55.01856	4.6
55.05514	19.8
57.03423	7.7
57.07063	5.9
60.52065	2.3
61.00240	2.2
67.05508	34.3
69.03429	13.1
69.07082	16.2
70.18531	9.2
71.04985	5.3
73.02935	5.6
74.50716	2.1
75.98503	2.2
79.05492	21.8
81.03418	25.8
81.07052	32.6
83.04981	6.4
83.08597	8.5
85.02894	8.5
85.06495	2.4
91.05486	14.1
93.07033	20.7
95.04974	5.9
95.08604	22.7
97.02896	5.5
97.10168	5.5
103.03957	19.9
103.05453	3.4
105.07044	11.0
107.04962	100.0
107.08585	7.9
109.02869	5.6
109.10155	14.2
111.04420	5.3
111.08089	2.7
115.05448	5.2
117.07051	5.3
119.08582	10.0
121.06493	5.4
121.10159	8.5
123.11690	4.5
127.03890	5.5
128.06233	5.2
129.07007	14.1
131.04932	62.2
131.08583	7.7
133.06499	15.1
133.10155	7.8
135.08058	4.0
141.07018	28.3
142.07764	3.1
143.08540	7.8
144.05704	3.0
145.06494	31.0
145.10080	5.5
147.08008	7.1
147.11690	3.5
149.13249	3.0
152.06175	3.2
153.06989	7.7
154.07831	2.4
155.04898	3.3
155.08575	21.7
157.06499	54.2
157.10091	4.9
159.08058	9.8
159.11662	4.2
161.09570	4.2
165.06987	5.5
166.37424	2.1
167.08545	7.8
168.05731	7.2
169.06491	61.5
169.10124	6.5
170.07254	4.4
171.04678	2.3
171.08054	21.9
171.11739	3.4
173.05986	8.2
173.09581	8.8
173.13214	2.2
175.11215	2.8
178.48985	2.8
179.08572	6.4
181.06479	62.6
181.10051	7.2
182.07214	5.5
183.08047	50.6
183.11653	2.7
185.09630	25.6
187.11160	6.9
191.08594	2.4
193.10184	5.8
194.07240	4.1
195.08057	40.3
195.11667	3.9
196.08876	4.7
197.06027	6.2
197.09642	30.8
199.11186	10.0
201.12645	4.4
207.08061	17.2
208.08774	6.3
209.09615	21.1
209.13150	3.7
211.07466	2.5
211.11214	27.5
213.12793	6.7
219.08163	3.6
220.08734	2.8
221.09641	14.0
221.19011	2.2
223.07533	3.9
223.11165	16.6
225.12744	18.7
227.14342	3.6
233.09740	2.6
235.11151	5.9
237.12833	12.1
239.14340	9.7
241.08604	2.5
241.15913	2.7
247.11209	2.8
249.12755	5.5
251.14380	12.3
253.15866	6.1
255.10234	3.1
261.12979	2.4
263.14359	4.7
265.15845	5.0
275.13998	3.5
277.15851	2.8
279.17627	2.8
281.15414	3.5
291.13681	2.1
303.17160	2.8
307.16986	3.9
321.18384	5.3
323.19904	3.1
325.17856	2.7
335.19897	3.7
349.21487	2.6
365.24725	4.9
367.26349	8.4
377.24805	6.2
379.26639	3.7
389.24658	8.8
391.26324	83.3
392.26685	3.6
395.25598	3.2
405.26810	2.7
407.25787	7.5
409.27258	2.6
421.27301	6.0
429.27759	3.6
433.27332	15.2
447.28940	7.4
451.28345	8.8
457.27478	12.0
475.28491	36.0
493.29596	25.7
511.30457	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
53.03931	5.0
55.05501	4.8
57.03433	1.8
59.92677	1.2
60.04528	1.4
61.02933	1.6
65.03919	1.9
67.05511	5.4
69.03428	6.5
69.07088	5.3
69.93472	1.0
70.06613	5.9
71.47687	1.5
72.08143	2.2
73.02917	1.3
76.54778	1.0
79.05489	10.5
81.03408	4.1
81.07063	7.2
83.04996	2.8
84.04507	2.0
84.08109	2.0
85.02911	33.6
86.09677	2.7
91.03964	1.6
91.05482	22.2
93.07047	79.8
95.04960	3.6
95.08613	14.1
97.02895	9.5
97.06513	2.8
99.04424	1.3
105.04507	2.0
105.07046	8.8
106.15445	1.1
107.04965	8.4
107.08601	100.0
109.02882	3.1
109.10149	4.1
109.11850	1.0
110.07133	2.6
119.08575	1.9
120.08144	2.3
121.10165	2.4
121.32205	1.2
123.11729	2.4
127.03922	6.8
129.10182	1.2
132.08154	1.8
133.10057	1.8
135.11700	85.4
136.07600	1.4
138.09239	1.2
145.04955	14.8
147.11671	1.4
153.12744	16.8
163.06001	5.1
226.12329	11.3
230.43475	1.1
250.30307	1.2
251.08565	1.1
297.17053	1.5
350.28809	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	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
52.19658	1.0
53.03947	5.7
55.01877	1.1
55.05514	5.5
57.03441	1.8
57.07063	1.6
60.04535	1.0
61.02924	3.0
65.03937	2.3
66.66917	0.9
67.05496	5.6
69.03430	8.1
69.07062	4.1
69.49879	1.8
69.50294	5.4
70.06591	5.6
71.04984	1.6
72.08141	1.2
73.02912	1.5
77.03954	1.7
79.05495	15.0
81.03417	4.4
81.07057	11.3
83.04980	2.2
83.17403	0.9
84.04521	1.3
84.08146	2.6
85.02910	35.3
86.09718	3.4
88.04017	1.0
91.05482	18.7
93.07045	89.9
95.04939	4.6
95.08609	15.6
97.02901	8.6
97.06530	2.9
98.21579	1.6
99.04498	1.2
102.05555	1.3
105.04510	1.8
105.07040	9.2
107.04957	10.4
107.08598	100.0
109.02891	3.5
109.06508	2.5
109.10149	3.1
110.07191	1.9
110.99362	1.0
117.07032	1.0
119.06046	1.7
119.08609	2.7
120.08114	2.2
121.10144	1.9
123.11716	2.2
127.03920	7.8
129.10254	1.5
132.08113	2.7
133.10176	2.8
135.11693	81.1
136.07599	2.9
137.13254	2.1
138.09137	1.2
145.04962	14.2
153.12756	12.6
159.11646	1.0
163.06035	5.6
164.63033	1.1
191.03653	0.9
196.95901	0.9
211.09792	1.1
226.12280	17.2
323.09766	1.0
350.29111	2.7
402.33704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01869	0.7
55.05272	0.6
55.05510	7.2
57.07079	3.7
58.06602	29.8
60.04514	1.8
67.05508	3.7
69.03448	0.5
69.07079	2.3
69.30058	2.7
69.30470	0.8
70.06599	2.9
71.04993	0.4
71.08621	2.0
72.08157	1.0
76.68664	0.4
79.02875	0.5
79.05479	1.6
81.07051	4.5
83.04981	42.7
83.08600	2.0
83.49153	0.4
84.08155	0.8
85.02899	1.3
88.07632	4.0
89.06015	1.2
91.05475	2.1
93.07043	4.2
95.04983	0.7
95.08610	9.4
97.06529	1.0
97.10162	1.1
99.08108	1.1
100.07619	6.2
102.09196	2.5
104.17921	0.4
105.07055	3.6
107.04948	0.5
107.08593	4.7
109.06507	1.2
109.10140	2.9
111.08111	0.6
114.09186	0.6
114.82375	0.4
119.08574	4.5
120.43021	0.5
121.10150	4.8
123.08073	7.5
123.11707	1.9
131.08575	2.5
133.06509	0.5
133.08643	1.1
133.10103	3.7
135.08063	0.5
135.11667	1.2
137.09677	0.4
139.07605	0.4
142.07869	0.5
143.08577	1.5
145.10112	3.0
147.11688	1.8
149.09636	4.9
149.13235	1.0
155.08463	0.5
156.09357	0.6
157.10136	2.3
159.11713	3.0
161.09647	0.7
161.13254	2.0
163.11247	0.8
165.12721	0.7
169.10132	1.0
171.11693	2.3
173.13290	2.0
175.14842	0.7
177.11343	0.6
177.12727	0.9
179.39299	0.5
183.11676	1.2
185.13309	2.7
187.14845	1.7
189.12866	0.7
189.16344	1.0
197.13213	1.1
199.14809	2.1
201.12749	0.7
201.16417	0.6
203.14268	0.9
209.13312	0.7
211.14767	1.0
213.16409	1.3
215.14323	0.7
215.17859	0.5
221.13306	0.5
225.16420	1.7
227.17995	1.5
228.23312	0.8
231.17401	0.8
237.16367	0.5
243.17628	0.7
245.19003	1.3
251.17781	0.9
253.19638	0.5
256.26355	8.4
257.19077	0.6
269.22849	0.4
271.20718	0.9
274.27338	0.8
283.21082	0.4
283.26309	10.1
295.24289	0.6
311.23636	1.0
311.29279	0.6
313.25327	1.8
327.20041	0.7
337.25305	2.2
379.26443	0.7
381.27985	1.6
395.29239	0.8
410.05380	0.5
410.11462	0.5
435.32556	9.5
453.33658	8.2
494.36450	1.0
512.37390	100.0
512.49554	21.4
513.37329	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	512.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05517	7.7
57.07082	13.6
58.06604	29.9
60.04530	0.9
63.20897	0.7
67.05505	5.5
69.03411	0.9
69.07072	6.1
70.06597	10.1
71.08631	7.3
72.08150	1.1
73.02927	1.2
79.05506	2.9
81.07066	6.2
81.59175	0.7
83.04984	49.3
83.08632	2.7
85.02927	1.6
85.06541	0.9
85.10186	3.0
88.07635	15.8
89.06033	7.0
91.05495	1.6
93.07053	4.4
95.04967	1.2
95.08617	10.5
95.09185	1.2
96.76865	0.8
97.06569	1.6
97.10191	1.2
99.08118	1.2
100.07622	6.9
102.09185	8.3
105.07032	5.2
106.08702	1.5
107.05035	1.0
107.08598	6.1
109.06518	1.7
109.10165	4.1
109.59883	0.7
119.08598	4.5
121.10151	4.4
123.08057	8.7
123.11736	2.3
129.07066	0.8
131.08566	2.8
133.08641	3.1
133.10159	3.6
135.11716	1.7
137.09621	1.2
143.08563	1.6
145.10150	3.0
147.11734	2.0
149.09630	4.1
149.13277	1.4
157.10185	2.4
159.11746	4.4
161.13266	3.7
169.10173	1.6
171.11749	3.2
173.13297	2.4
175.14845	1.0
177.11311	1.3
183.11700	0.9
185.13287	3.8
187.11179	0.8
187.14870	1.8
189.16467	1.1
197.13319	1.9
199.14854	1.5
201.12741	0.8
211.14835	1.5
213.16353	0.9
225.16554	1.4
227.18044	1.7
228.23276	3.3
245.18993	1.4
251.17838	0.9
253.19528	0.8
256.26364	35.3
271.20670	1.1
274.27454	2.1
283.26321	35.4
311.29633	3.4
313.25287	1.7
327.20248	2.2
337.25467	2.5
340.29395	0.9
381.27722	1.1
435.32574	11.4
453.33774	7.1
512.37518	100.0
512.50195	79.8
513.37762	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	512.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05511	7.2
57.07075	7.0
58.06600	27.8
60.04512	1.1
65.03922	0.4
67.05503	4.0
69.03419	0.9
69.07072	3.8
70.06590	4.7
70.98507	0.8
71.05003	0.6
71.08631	3.5
72.08146	1.0
73.02923	0.6
73.06590	0.3
79.05495	2.0
81.07051	5.1
83.04982	43.1
83.08635	1.7
84.08122	0.4
85.02895	1.4
85.06574	0.4
85.10175	1.4
88.07635	5.8
89.06039	2.5
91.05478	1.9
93.07044	4.5
95.04978	1.1
95.08612	8.8
96.08123	0.4
97.06535	1.2
97.10167	1.4
98.60423	0.3
99.08084	0.8
100.07618	7.0
102.09180	4.9
105.07034	3.9
107.08592	4.3
109.06525	1.5
109.10158	4.9
111.04453	0.6
111.08102	1.1
114.09142	0.8
117.07043	0.6
119.08576	4.7
121.10153	4.3
123.08056	8.2
123.11726	2.2
125.09631	1.3
129.07031	0.5
131.08559	2.2
133.08612	1.5
133.10126	3.0
135.08078	0.4
135.11731	1.4
137.09622	1.4
138.09186	0.4
139.11169	0.6
141.09123	0.7
143.08542	1.6
145.10115	3.3
147.11653	2.7
147.12686	0.4
149.09610	4.0
149.13269	1.0
151.11157	0.5
155.08620	0.6
157.10101	2.0
159.08063	0.5
159.11678	4.0
161.13261	3.1
163.11174	0.4
165.12796	1.0
169.10129	1.1
171.11649	2.1
173.13251	2.6
175.11255	0.4
175.14838	1.3
177.11296	0.5
177.12791	0.8
183.11716	1.5
185.13232	3.1
187.14792	1.7
189.12772	0.8
189.16446	0.8
190.73860	0.3
195.11687	0.6
196.12309	0.3
197.13283	1.2
199.14850	1.9
201.12852	0.7
201.16444	0.8
203.14313	0.8
205.16055	0.4
209.13342	0.9
211.14862	1.3
213.16431	1.5
217.15918	0.4
223.14920	0.7
225.16415	1.2
227.17990	1.5
228.23206	2.0
229.19644	0.4
231.17386	0.4
239.17908	0.8
243.17482	0.6
245.19150	1.1
249.16344	0.4
251.18005	0.6
253.19681	0.9
256.26352	15.4
257.19019	0.8
271.20395	0.8
274.27487	1.0
276.35391	0.4
283.26324	18.2
295.24359	0.5
297.22290	0.4
311.20331	0.4
311.23672	0.9
311.29349	1.7
313.25247	1.8
327.20065	0.8
337.25253	2.8
340.29495	0.6
342.56036	0.4
363.26981	0.4
379.26471	0.8
381.27908	1.5
395.29626	0.7
435.32574	11.1
452.35089	0.6
453.33655	8.9
490.51175	0.4
494.36142	0.8
512.37421	100.0
512.49957	37.8
513.37793	2.9
529.19763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	3.8
57.03447	4.0
59.08360	1.7
60.07119	1.7
69.03422	7.0
70.06608	2.3
70.33286	6.4
71.27313	1.6
81.03429	2.0
81.16574	1.7
82.13116	2.0
82.99854	3.8
83.04996	1.7
85.02912	13.9
87.85439	1.9
90.34315	1.8
93.35924	1.5
97.01468	2.9
97.02915	9.0
98.97590	9.9
99.04470	2.4
101.00877	16.1
103.00632	2.8
103.02412	1.7
107.04970	6.4
109.02876	3.7
110.97559	2.6
112.99165	2.0
113.00887	8.5
115.02411	10.6
116.98557	2.1
119.01913	18.1
121.01660	3.2
127.02424	5.0
127.03928	4.6
129.03972	4.2
131.00191	3.2
131.01895	13.8
133.03482	15.9
141.03975	5.6
143.01897	29.6
145.01689	2.6
145.03491	13.9
145.04947	2.3
147.03273	4.2
147.05043	3.5
153.03944	4.9
155.01892	23.3
157.01622	2.8
157.03464	11.8
158.99631	4.2
159.03227	2.6
159.03891	2.0
159.04993	12.9
161.02969	14.7
163.02666	2.9
167.01958	10.1
169.03439	9.9
170.99742	3.7
171.01411	2.8
171.05051	9.6
173.02972	25.4
175.02692	2.7
175.04535	4.1
177.04503	1.6
177.06078	8.1
179.01953	6.4
180.14323	1.7
181.03444	2.3
181.71706	1.7
183.05040	8.2
185.02979	23.7
185.06584	3.6
187.02898	3.2
187.04552	12.4
193.03574	2.3
195.07076	4.3
197.02974	13.2
199.00931	4.1
199.04517	2.8
201.00731	4.2
201.06079	3.3
202.05162	2.3
203.04044	16.8
205.05656	2.6
207.05042	3.2
211.04500	4.1
213.06131	3.3
215.04056	5.0
217.00185	2.6
217.02023	3.0
219.01743	5.7
219.07155	25.7
221.05103	11.7
227.03911	4.0
231.03552	21.1
231.07169	28.2
233.05008	2.1
233.08797	5.6
237.02765	3.6
243.03523	3.9
245.05092	70.6
245.08791	4.0
246.05545	3.2
247.04868	5.3
255.07106	12.3
257.05066	3.4
259.06662	2.7
260.67322	1.8
261.04645	4.1
263.06152	6.7
268.49146	2.1
271.06589	3.4
273.08200	6.8
275.05911	8.2
287.05688	2.1
291.05713	4.8
301.04010	3.0
305.07208	4.9
307.08560	4.1
315.05344	3.2
317.73639	1.9
321.10333	100.0
322.10422	3.7
325.09210	2.2
333.06708	4.3
337.09531	4.7
351.07480	7.4
365.09125	5.4
477.11130	2.1
495.11951	14.7
513.12946	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	513.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98623	0.5
52.58400	0.4
53.03933	1.7
53.06183	0.5
55.01868	0.7
55.05507	0.9
57.03445	0.7
65.03933	0.8
67.68092	0.4
69.03428	4.9
69.40983	3.2
70.92242	0.4
71.04993	1.0
72.44278	0.4
73.02916	0.6
76.02226	1.2
81.03408	5.0
81.07062	0.4
83.04960	0.7
85.02909	5.0
87.00838	0.7
91.05482	7.9
95.04951	0.8
95.08620	0.6
95.35220	0.4
97.02888	4.1
99.04446	1.0
105.01843	1.4
105.07034	0.9
107.04955	4.9
107.08620	1.1
109.02880	6.3
109.06510	0.6
109.10144	0.6
117.06966	0.5
119.04945	20.8
119.08625	0.6
121.10117	0.7
127.03927	5.2
135.11740	0.5
145.04973	1.0
145.10110	1.1
147.04411	100.0
147.11707	0.6
148.04765	0.7
162.02237	1.3
163.11191	0.6
165.05493	0.7
165.12791	1.9
179.04860	1.9
187.06041	2.0
189.12752	0.6
205.15820	0.8
231.06743	0.8
247.16933	4.1
265.18051	3.1
283.11026	0.6
285.09140	0.9
291.08694	1.9
309.09875	0.8
351.10724	8.9
389.13455	1.7
407.14587	1.0
467.35062	0.5
513.16589	1.0
513.23285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03934	0.4
57.03426	0.2
59.12242	0.2
65.03941	1.2
69.03430	1.8
69.21535	0.3
69.21941	1.3
70.06561	0.3
71.04983	0.2
76.50320	0.2
81.03417	2.7
81.36635	0.1
84.04510	0.2
85.02910	1.3
91.05485	7.4
97.02901	2.1
99.04451	0.6
103.03928	0.2
107.04948	1.0
109.02880	2.5
119.04947	20.4
127.03922	1.6
147.04416	100.0
148.04749	0.8
157.06528	0.3
165.05498	0.7
169.04997	0.2
169.06526	0.2
185.05956	0.3
186.69099	0.2
187.06030	0.4
187.07513	0.4
199.07553	0.2
203.07100	0.2
213.05554	0.5
227.07089	0.3
231.06508	1.9
246.20473	0.2
255.06477	0.5
273.07712	0.5
291.08643	1.6
301.68921	0.2
309.09183	0.2
333.09720	0.6
351.10773	12.2
351.39682	0.2
360.83292	0.2
495.15656	0.2
513.16144	0.7
517.64893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1911
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
55.01886	1.2
55.05517	1.8
55.93697	0.9
58.97649	0.9
67.05516	3.3
67.09367	1.1
70.86152	2.8
72.52430	1.0
79.05488	1.9
81.03462	1.0
81.07071	3.0
83.08603	1.3
91.05473	4.7
92.49863	0.9
93.07050	2.8
95.04989	2.9
103.05507	1.4
105.07047	2.5
107.04945	2.2
107.08597	1.6
109.10177	3.0
119.04937	2.2
119.08565	1.1
121.06522	2.8
121.10120	1.7
125.06030	4.5
129.07007	1.3
137.05974	9.1
141.05457	1.4
147.04442	8.4
149.05998	3.1
151.03934	9.6
151.07576	2.0
152.06294	2.2
153.07042	3.9
155.08636	1.7
157.06529	2.7
165.07034	4.3
167.08646	1.1
168.05820	3.2
169.06516	3.2
170.07327	3.7
171.08087	2.1
181.06500	24.6
181.12047	1.3
182.07259	7.3
183.08011	5.3
185.06097	2.5
185.09656	1.8
195.08130	3.6
196.05202	18.9
197.06035	4.3
198.06757	22.6
199.07481	1.9
205.06578	3.0
209.05945	1.3
210.06798	11.1
211.07552	32.8
212.08382	4.1
213.05560	3.4
213.09097	10.0
222.06822	2.7
223.07549	1.6
225.05542	3.1
225.09097	8.9
226.06262	2.3
227.07101	2.9
228.07979	2.9
229.08597	1.3
233.06094	3.0
234.06932	2.3
237.09117	15.5
239.07033	22.9
239.09256	1.6
240.07864	4.4
241.04823	2.6
241.08603	100.0
242.09186	4.2
243.10124	2.2
250.06120	4.7
253.08612	22.0
255.10149	2.0
256.07339	5.4
256.10941	3.3
257.08398	1.8
257.11407	3.2
259.09796	1.3
265.08621	32.4
269.07928	1.5
271.09683	30.5
271.12631	1.7
272.10504	1.8
273.11224	15.4
284.08234	1.2
285.09097	1.2
297.09189	2.1
299.07062	1.3
300.07697	2.4
301.08472	1.3
313.08850	1.9
314.09308	1.9
315.10080	3.4
325.08823	1.4
327.10150	2.0
328.10803	2.2
329.11798	2.7
330.12253	3.1
331.09854	1.7
340.10919	1.4
343.09790	3.1
344.10535	4.1
345.11230	1.2
356.10379	2.5
357.11304	4.2
358.11749	7.1
361.14877	1.3
371.12534	5.6
373.10736	1.2
374.11331	3.2
375.12384	5.4
376.12653	3.3
388.12726	1.6
389.13840	28.3
389.18674	1.8
431.13058	1.4
449.13620	1.4
463.15433	1.8
480.15884	1.2
481.16742	2.3
495.18295	4.9
513.18835	44.7
525.46509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01851	1.1
55.05509	2.6
57.03405	1.2
61.02899	1.1
65.03912	0.8
67.05505	6.2
67.98879	0.5
69.03389	1.6
69.07069	3.1
69.70741	1.4
69.71158	1.8
71.04983	0.7
73.02884	0.6
79.05499	4.4
79.08392	0.5
81.03380	2.4
81.07055	6.2
83.04960	0.8
83.08592	0.8
84.08130	0.5
85.02859	2.1
85.06532	0.9
89.58331	0.6
91.05480	6.0
93.06596	0.5
93.07050	5.1
95.04956	1.0
95.08610	2.7
97.02852	2.0
97.06548	3.8
97.10123	0.8
103.05465	0.8
105.04512	0.6
105.07033	4.2
107.04946	2.7
107.08571	3.5
109.02835	0.6
109.06490	0.7
109.10118	2.5
109.54406	0.6
111.08019	0.7
117.07000	1.8
118.17380	0.5
119.04918	1.1
119.08597	4.1
121.02843	0.6
121.06475	0.8
121.10133	3.4
122.03625	0.8
123.04415	3.5
123.08060	1.2
123.11735	0.9
128.06227	0.8
129.05489	0.9
129.06961	2.1
131.04930	0.6
131.08537	1.9
133.06465	0.7
133.09277	0.6
133.10097	3.2
135.08102	0.7
135.11635	1.8
137.05971	6.5
138.06313	0.6
141.06995	1.4
142.07750	0.6
143.08591	0.7
145.06456	1.0
145.10086	2.3
147.04378	1.2
147.11641	2.0
149.13225	2.0
151.07570	2.8
153.06976	1.6
155.08540	1.3
157.06485	1.2
157.10146	0.8
159.11691	2.2
161.09537	0.6
161.13252	1.7
163.14886	0.7
165.06956	1.3
167.08568	0.8
168.05690	2.5
169.05185	0.5
169.06393	2.8
170.07091	0.6
171.04387	0.7
171.07993	0.7
171.11754	0.9
173.05962	1.1
173.13252	0.8
175.14771	0.5
177.12711	0.6
181.06551	2.9
182.07108	1.0
183.08093	2.5
185.05824	0.8
185.13326	1.1
187.07558	0.7
195.07951	0.8
195.13824	0.7
196.05203	86.8
197.05994	3.9
198.06735	1.5
199.07498	2.0
200.07935	0.7
209.05966	0.8
210.06786	0.8
211.07545	100.0
212.08063	3.2
213.05460	1.2
213.09157	3.3
217.08592	0.6
219.10158	3.3
225.05484	3.9
225.08969	1.3
226.06007	0.9
227.07097	2.6
228.07518	2.3
229.08507	1.5
229.14401	0.9
239.07030	75.8
240.07657	3.6
241.08582	13.0
241.19496	1.7
242.09184	3.2
243.09903	1.9
253.08507	0.6
255.10127	3.0
257.08102	2.9
259.20590	3.9
271.09625	12.2
272.10123	3.1
273.10754	2.2
277.21701	1.6
283.13303	0.6
298.09903	0.5
314.09164	0.7
329.11649	0.7
333.24265	0.8
349.24002	0.6
351.25366	9.2
357.11343	1.1
389.13855	2.1
398.93387	0.6
403.13574	0.6
417.11240	0.9
421.14108	1.0
422.14368	0.9
432.13831	1.2
435.12112	1.1
441.26962	0.6
449.14017	1.5
450.14523	1.8
453.17355	1.3
463.15411	2.9
466.14041	1.4
467.14584	0.9
481.16681	10.4
498.16891	1.0
513.18848	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	2.1
55.01862	1.3
55.05510	2.6
57.03428	1.5
59.04993	0.6
61.02923	1.3
65.03938	1.2
67.05499	1.3
68.99796	0.5
69.03430	10.9
69.07069	2.5
70.06590	0.6
70.34171	1.4
71.04977	1.8
73.02914	1.7
79.05501	1.1
81.03423	10.1
81.07062	2.2
83.04986	4.0
83.08604	0.9
85.02908	13.3
85.06509	0.5
86.09690	0.7
87.00830	4.5
90.18011	0.4
91.05486	9.5
91.79644	0.3
93.07050	2.8
95.04973	6.3
95.08615	1.9
97.02900	6.2
97.06509	0.8
99.04457	3.4
101.06020	1.4
103.03953	0.4
105.01862	3.3
105.07030	2.5
107.04950	3.3
107.08598	4.2
109.02882	10.0
109.06512	2.0
109.10148	2.7
111.04444	0.8
115.05444	0.4
117.01865	0.8
117.07007	0.7
119.04946	22.3
119.08584	2.4
120.05244	0.4
120.08111	0.8
121.06502	1.1
121.10153	2.3
123.04450	0.6
123.08055	0.8
123.11720	1.1
125.06011	0.6
127.03919	11.9
129.01822	1.1
129.06964	0.4
131.04915	0.4
131.08548	1.7
133.06473	0.5
133.10121	1.1
135.08064	3.4
135.11714	2.8
137.09659	0.4
140.57437	0.4
143.08554	0.6
143.77029	0.4
145.04951	3.8
145.10146	3.3
147.04413	100.0
147.11716	2.3
148.04762	1.5
149.09633	1.6
151.07614	0.6
159.02893	3.4
159.08061	1.3
159.11693	1.2
161.09616	1.1
161.13289	1.4
163.11191	3.7
165.05510	0.9
165.12764	11.1
171.07980	0.5
171.11719	1.1
173.09618	1.0
175.14833	0.9
177.09128	2.5
177.12863	0.5
177.16437	0.4
179.10699	0.5
185.13245	0.4
187.05998	0.8
187.07498	0.5
187.14830	1.3
189.12737	2.0
191.10703	1.5
191.14398	0.5
201.16402	0.4
203.06926	0.4
205.15880	4.1
211.14777	0.5
213.03867	0.7
219.17516	0.6
229.15924	2.1
231.04689	1.8
231.06857	0.7
241.08644	0.3
247.16953	19.4
248.17310	0.9
249.06142	0.4
265.17975	15.1
291.08667	1.3
351.10754	10.5
352.11267	0.5
389.13531	0.8
495.22064	0.6
513.16974	1.3
513.23712	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	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01868	1.5
55.05517	2.3
57.03431	0.9
61.02921	0.9
65.03943	0.8
67.05489	1.1
68.99793	0.6
69.03432	9.1
69.07070	1.6
70.06595	0.6
71.04984	1.0
71.48094	0.3
73.02908	0.9
77.82661	0.3
79.05487	1.1
79.40032	0.3
81.03422	7.9
81.07056	1.7
83.01357	0.4
83.04978	2.7
83.08627	0.6
84.08168	0.3
85.02908	10.4
85.06558	0.4
86.09726	0.4
87.00834	3.6
91.03992	0.3
91.05485	9.6
93.07036	1.7
95.04979	3.7
95.08632	1.5
95.83911	0.3
97.02913	4.6
99.04456	2.8
101.06024	1.1
105.01867	1.9
105.07037	1.9
107.04968	2.5
107.05593	0.4
107.08588	2.5
109.02140	0.4
109.02884	8.5
109.06516	1.9
109.10175	1.8
111.04448	0.4
117.01845	0.4
117.07017	0.8
119.04948	23.2
119.08588	2.0
120.08054	0.6
121.06511	0.8
121.10159	1.6
123.08054	0.4
123.11713	1.0
125.09660	0.3
127.03924	9.8
128.04251	0.3
129.01860	0.7
129.06950	0.3
131.04869	0.5
131.08601	0.8
133.06442	0.4
133.10124	1.0
135.08076	2.4
135.11703	2.0
137.06006	0.4
137.09618	0.3
141.06982	0.3
143.08527	0.5
145.04973	2.1
145.10170	2.2
147.04416	100.0
147.11676	2.2
148.04770	1.2
149.09616	1.2
151.07584	0.4
157.06569	0.4
157.10164	0.4
159.02878	2.6
159.04178	0.4
159.08049	1.0
159.11696	1.0
161.09581	0.6
161.13292	0.9
163.11171	2.6
165.05565	0.7
165.12755	7.6
169.04924	0.3
171.11710	0.6
173.09608	0.4
175.57356	0.3
177.09114	1.7
177.16350	0.3
187.06104	0.4
187.07607	0.4
187.14857	1.3
189.12717	1.9
191.10680	1.4
191.14322	0.3
199.07396	0.4
201.16391	0.5
205.15959	2.5
212.02698	0.3
227.06969	0.5
229.15936	1.2
231.04639	1.7
231.06754	0.9
247.16948	14.3
248.17285	0.5
249.05933	0.3
255.06638	0.4
265.18015	12.0
273.07504	0.4
291.08609	1.7
294.92844	0.3
315.09848	0.3
351.10785	10.6
373.68835	0.3
389.13470	0.7
422.36453	0.3
432.71561	0.3
495.22516	0.4
513.16394	1.3
513.23511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3039
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
53.32579	0.4
55.01861	0.4
55.05511	2.8
57.07081	1.0
61.02934	2.9
67.05506	5.4
69.03411	1.7
69.07074	2.3
70.06575	0.6
70.51970	1.5
70.52312	0.4
71.05005	0.4
71.08616	0.5
73.02901	0.9
79.05502	2.3
80.22397	0.5
81.03402	1.3
81.07066	5.1
83.04972	0.9
83.08617	1.6
85.02901	3.1
91.03939	1.6
91.05470	2.1
93.07046	2.6
95.04984	0.6
95.08602	5.2
97.02911	3.0
97.06531	0.7
97.10162	1.2
99.04456	0.6
99.08062	0.4
101.02363	0.6
105.07030	2.0
107.04964	5.1
107.08595	1.8
109.02863	0.5
109.10153	1.2
117.05502	0.4
119.08567	1.6
121.06499	0.7
121.10152	1.8
123.08123	0.5
123.11720	1.2
125.09605	0.6
127.03867	0.5
129.06995	0.5
131.08546	0.8
133.06491	0.7
133.10136	1.7
135.08051	1.1
135.11700	1.2
138.03831	0.4
145.10133	0.6
147.08098	0.6
147.11678	1.0
157.10063	0.4
161.13367	0.5
173.13229	0.4
179.14262	0.6
203.05231	0.6
255.10118	2.0
256.26434	0.7
256.65311	0.5
257.08075	0.7
259.07983	0.7
259.24426	0.5
277.25363	1.3
283.26486	0.6
351.24771	0.6
351.28912	4.1
407.31516	0.4
495.33392	0.5
501.27472	0.4
512.50464	0.7
513.30292	100.0
513.50775	1.6
514.30627	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.0
57.03426	6.3
59.16109	4.5
61.02950	8.4
65.78273	4.2
67.05506	24.1
69.03423	10.7
69.07059	9.4
70.60702	7.0
71.77127	4.4
73.02897	5.0
79.05492	34.8
81.03407	4.1
81.07058	30.2
83.08600	6.9
84.09802	4.3
85.02895	8.1
87.10088	3.8
91.03934	6.1
91.05494	23.6
93.07044	36.6
95.04938	7.6
95.08603	22.1
97.02866	7.0
103.96706	4.3
105.07050	33.4
106.59351	4.3
107.04970	5.0
107.08572	24.2
109.10141	10.1
117.07030	5.9
119.02006	4.1
119.08578	28.9
121.10117	18.8
123.04371	4.9
129.06982	5.4
131.08556	14.5
133.10114	22.2
135.11708	24.5
143.08586	3.8
145.10109	17.1
147.11700	19.7
149.13211	12.3
157.10095	6.7
159.11687	10.0
161.13220	13.6
163.14784	4.6
173.13231	10.8
175.14839	7.6
185.13211	5.4
199.14796	4.6
211.07533	5.2
211.50105	4.0
213.16377	4.3
229.14284	4.6
239.06979	9.4
240.07875	5.9
241.08591	6.2
241.19548	19.5
259.20596	37.8
262.14273	4.6
277.21558	8.7
285.32318	3.9
300.32196	4.3
333.24261	5.2
339.29504	4.1
349.23492	4.9
351.21204	7.0
351.25311	100.0
351.29651	6.2
351.61496	4.2
389.13705	4.0
513.18884	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.5
55.05508	4.5
57.03434	4.8
61.02905	14.9
61.34502	3.7
67.05505	27.8
69.03425	5.7
69.07056	11.8
69.68636	25.2
69.68941	7.7
73.02911	5.4
79.05486	23.5
81.07053	32.6
83.60892	4.5
85.02888	8.6
91.03956	6.9
91.05486	20.6
93.07067	35.7
95.08602	20.4
97.02899	8.6
105.07021	24.6
107.08583	27.6
109.10137	14.4
117.07030	5.5
119.08576	27.6
121.10130	18.8
131.08554	11.2
132.07611	4.3
133.10120	21.3
135.11691	19.2
143.08618	4.3
145.10103	8.0
147.11667	20.1
149.13254	15.3
154.79555	4.2
159.11684	12.0
161.13254	14.0
163.14845	5.3
164.76395	3.9
171.11629	8.3
173.13293	7.7
175.14790	10.2
185.13408	4.9
241.19479	18.6
259.20581	41.8
277.21725	6.8
349.23969	6.9
351.21179	8.9
351.25311	100.0
352.25436	5.7
417.26447	4.9
429.27356	4.5
495.29077	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
55.01865	9.8
55.05495	16.1
57.03424	9.7
59.58197	5.5
61.02933	28.5
67.05510	58.7
69.03420	12.7
69.07061	20.6
69.66953	13.6
69.67373	24.4
73.02901	15.1
79.05496	50.0
81.03391	15.8
81.07064	70.9
83.04994	9.7
83.08607	6.0
85.02899	21.6
91.03941	12.2
91.05489	60.4
93.07053	58.2
95.04980	6.6
95.08606	39.8
97.02898	19.9
97.06529	5.8
97.10136	6.7
105.07032	68.3
106.07277	5.9
107.04933	12.8
107.08604	45.6
109.10134	23.8
117.07001	25.9
119.08601	57.1
121.10154	32.6
129.05490	9.8
129.07004	14.7
131.08603	32.5
132.75218	4.9
133.10139	61.3
135.11726	33.1
143.08556	20.0
145.06516	6.5
145.10152	36.1
147.04385	6.5
147.11685	44.2
149.09569	6.6
149.13261	19.1
155.08452	7.1
157.10109	19.6
159.11731	22.6
161.13287	32.0
163.14828	7.5
169.10066	6.2
171.11678	17.9
173.13258	14.8
175.14833	13.6
181.06482	7.1
183.11665	9.1
185.13290	11.8
187.14864	6.4
195.11514	6.9
196.05161	16.5
197.06046	9.2
209.13216	8.2
211.07526	20.5
213.09167	11.5
231.21156	6.9
239.07007	19.3
241.08630	14.6
241.19630	28.4
241.21713	6.4
243.10097	5.5
255.10153	9.7
259.20593	67.0
271.09671	26.2
271.20471	7.3
275.19955	8.1
277.20938	6.6
301.21533	7.8
351.25247	100.0
367.22690	8.1
385.23669	12.4
421.25720	11.9
428.78543	5.5
441.26480	9.3
459.27438	5.8
477.28247	7.6
481.16403	8.5
495.29739	12.3
513.18561	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70249	2.5
53.03938	3.2
55.05506	7.9
57.03436	5.2
61.02918	13.0
67.05247	2.6
67.05508	30.2
67.31804	2.5
69.03427	5.7
69.07056	10.6
69.31675	19.8
73.02926	3.9
79.05499	29.8
81.03410	5.7
81.07056	27.8
83.04966	3.6
83.08606	4.6
85.02901	16.7
91.05489	34.0
93.07047	42.6
95.04969	4.0
95.08617	25.9
97.02870	9.5
97.06525	16.9
97.10181	4.7
99.08052	3.5
105.07037	36.0
107.04971	4.3
107.08599	26.1
109.10140	8.6
115.21546	2.8
117.07017	8.6
119.08589	33.6
121.06545	3.2
121.10134	26.2
123.04436	3.1
123.11729	3.8
129.06975	8.2
131.04927	2.8
131.08603	15.7
133.10152	31.1
135.11719	19.1
138.41698	2.7
141.14236	2.7
143.08537	10.1
145.10109	15.5
147.11678	24.2
149.13286	18.0
155.08606	4.1
157.10100	7.8
159.07948	3.1
159.11746	13.1
161.13235	19.5
163.14851	5.3
171.11693	8.9
173.13292	9.7
175.14822	9.2
177.12740	4.2
183.11673	2.8
185.13293	7.5
187.14810	5.2
199.14792	4.2
203.69444	2.8
217.19547	3.4
219.10089	7.4
239.07133	3.6
241.08658	3.5
241.19533	27.2
255.10124	2.9
259.20593	57.4
269.08200	2.7
271.09793	3.0
271.20688	4.7
277.21558	8.4
301.21451	4.5
325.21658	3.2
333.24246	5.6
349.23788	3.5
351.25330	100.0
368.54416	3.7
417.26620	4.0
441.25958	2.8
495.29294	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66790	1.4
51.94774	1.6
53.03928	3.9
55.01888	3.6
55.05507	10.1
57.03430	6.9
57.06589	1.6
57.07067	2.5
61.02922	13.5
67.05506	32.6
69.03426	8.9
69.07075	13.2
71.04993	3.8
73.02920	5.3
75.04460	1.7
79.05073	3.1
79.05499	37.9
81.03403	5.9
81.07063	36.1
83.04990	2.7
83.08627	5.0
84.11715	1.4
85.02914	14.4
85.06534	2.9
90.51962	1.5
91.03934	7.9
91.05486	27.4
93.07044	49.2
95.04985	5.5
95.08610	24.6
97.02895	9.3
97.06525	29.6
97.10149	2.3
97.41926	1.4
97.80125	1.5
98.45332	1.5
99.08070	2.9
103.05473	3.8
105.07035	34.0
107.04964	5.9
107.08598	28.3
109.02868	2.9
109.06503	3.2
109.10183	11.2
111.04491	1.9
111.08041	3.3
115.05467	2.5
117.07030	12.2
119.08590	38.5
120.96470	1.6
121.06498	2.1
121.09340	2.2
121.10149	24.7
123.04448	8.6
123.11698	4.0
127.03906	3.5
129.05489	3.1
129.07002	6.7
131.04932	6.8
131.08603	16.4
133.06493	3.1
133.10150	27.9
135.08035	2.6
135.11710	22.8
137.05956	4.6
137.09618	3.0
139.11147	1.5
141.07002	2.0
142.07776	2.4
143.08536	10.5
145.10121	20.0
147.04427	2.7
147.11691	30.5
149.09633	2.7
149.13243	18.1
151.07564	2.6
151.11160	3.0
155.08568	3.5
157.06476	2.6
157.10143	7.9
159.08128	2.6
159.11728	16.8
161.09630	2.1
161.13266	26.2
163.11115	2.2
163.14821	8.0
167.08464	1.8
169.06413	2.1
169.10139	3.1
171.11682	9.4
173.09650	2.7
173.13205	7.6
175.14784	11.2
181.06532	2.2
181.10214	2.4
183.11729	3.2
185.13177	8.3
187.14806	4.0
196.05205	2.4
197.06105	3.5
199.14835	4.8
201.09175	2.1
211.07565	6.4
213.12643	2.0
215.17879	1.7
217.19485	2.9
219.10149	5.7
225.05717	2.2
227.07047	2.2
228.07512	1.7
229.32739	1.7
231.21143	2.1
235.17073	2.1
239.07042	3.4
241.08601	6.6
241.19518	21.2
253.08618	2.1
255.10225	4.8
257.08005	1.9
257.19006	3.0
259.20615	47.2
261.41263	2.2
265.08475	2.2
271.09708	5.4
271.20819	1.6
277.21570	9.4
301.21686	3.7
313.21512	1.8
325.21515	2.0
333.24057	8.4
349.23801	3.7
351.25314	100.0
357.11365	2.2
363.25354	3.3
367.22638	3.8
375.25534	4.0
385.23758	2.8
403.24994	2.8
417.26306	2.1
429.26416	1.9
433.09470	1.6
441.26474	7.2
459.27478	5.4
463.15353	5.4
477.28372	3.8
481.16623	3.8
495.29385	6.1
513.18579	8.8
513.29138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
53.93857	2.2
55.01867	4.2
55.05512	31.8
57.03200	2.4
57.03440	32.7
57.07083	21.9
58.07408	2.5
60.04505	3.2
61.02929	67.4
65.03937	5.7
67.05507	86.7
69.03430	41.2
69.07072	37.7
70.06580	4.1
71.01356	5.7
71.04993	6.0
71.08616	9.3
73.02915	34.0
75.32596	2.3
79.05490	30.5
81.03426	28.1
81.07057	95.3
83.04964	7.1
83.08621	27.6
85.02908	73.4
85.06541	3.1
85.10171	5.6
86.09699	3.4
87.04454	3.1
88.07633	10.6
89.06038	7.9
91.03963	44.8
91.05484	23.6
93.07046	33.9
95.04978	7.2
95.08612	79.4
97.02305	4.1
97.02898	61.0
97.06537	6.1
97.10179	14.3
99.04442	11.4
99.08084	3.5
101.02386	15.5
102.09181	3.1
103.03934	10.3
104.10716	5.0
105.07026	18.1
107.04963	12.5
107.08583	22.5
109.02892	13.0
109.10156	30.9
109.54277	2.5
111.08088	3.9
111.11726	6.3
113.09692	2.7
115.03888	4.1
117.05469	4.0
119.07809	2.2
119.08559	14.6
120.08109	5.0
121.10139	18.2
123.11694	13.3
125.09590	2.9
127.03919	27.2
127.11182	3.6
129.05496	6.7
129.06956	3.2
131.04926	3.6
131.08543	7.8
133.08591	5.7
133.10138	15.3
135.11691	10.6
137.09671	3.1
137.13239	7.2
143.08492	2.9
145.04951	11.2
145.10167	5.5
147.11687	8.1
149.09714	3.0
149.13200	5.5
151.14827	5.4
157.10100	2.7
159.11665	3.9
161.13278	8.3
163.06311	2.4
163.14845	6.2
165.12587	2.2
165.16309	3.2
171.11813	3.1
175.14809	7.3
177.11197	2.2
177.16499	4.7
183.06577	4.8
183.11618	4.1
184.07343	2.9
187.14867	4.4
189.16330	4.6
193.19493	3.0
199.14819	2.5
201.07402	3.0
256.26318	10.5
257.26733	5.0
259.24182	11.8
275.23657	2.4
277.25250	18.7
283.26440	12.2
284.26636	6.9
317.24805	2.5
351.28949	100.0
351.33325	4.9
357.27539	2.9
379.28314	2.7
385.27264	3.8
495.34436	3.3
496.39670	2.8
512.50385	14.7
513.35321	29.0
513.50647	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.05515	3.9
61.02925	4.5
67.05505	8.4
69.52711	5.7
69.53122	17.3
70.06584	8.6
71.04993	3.3
79.05466	10.2
79.54900	3.3
81.03416	100.0
81.07050	12.7
83.04961	7.1
83.08625	21.5
85.02898	7.6
86.09699	7.0
91.05466	13.2
93.07043	5.1
94.98985	3.4
95.04990	28.3
95.08572	5.2
97.02895	4.2
98.20806	7.9
105.07014	8.9
107.04968	21.0
109.06474	4.8
111.08082	10.7
113.46291	3.6
119.08552	11.3
121.02897	16.6
121.10135	5.9
129.07014	8.9
130.06577	3.4
131.08533	10.1
147.11659	6.0
157.10106	11.4
175.11258	16.3
193.12242	76.1
211.13281	9.6
214.12169	4.0
267.15918	60.6
285.16953	88.6
292.87750	3.6
309.16925	11.9
311.95560	3.9
352.15298	11.8
377.09467	5.9
389.13300	3.9
471.22372	4.0
513.25562	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02429	5.6
53.54609	5.1
55.05497	8.1
57.03442	6.2
60.35050	5.9
63.90758	6.0
67.05505	15.2
69.03420	6.3
69.45982	30.6
70.06596	19.1
71.58566	4.9
79.05481	12.2
81.03418	100.0
81.07056	6.8
83.08624	20.7
84.08131	7.3
86.09698	28.3
86.47733	5.3
91.05485	19.0
92.75045	5.1
93.07038	6.4
95.04979	37.2
95.08619	9.7
97.02923	5.6
105.07056	13.2
107.04943	30.7
111.08110	11.7
119.08636	9.9
120.08121	7.0
129.06999	8.8
131.08556	7.5
133.10095	7.0
137.80211	5.5
146.64223	5.4
147.11639	8.4
149.09523	6.2
157.10109	14.5
175.11270	13.8
186.49214	5.4
192.10184	13.2
193.12228	88.9
194.31830	5.2
227.17603	10.1
235.13277	5.5
254.22974	5.8
267.15915	52.3
285.17020	85.1
309.16962	13.4
313.12042	10.4
373.13974	36.4
429.21133	10.1
514.17279	5.8
515.21405	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	514.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05271	0.9
55.05512	9.9
57.07087	1.3
58.06601	18.3
58.14049	0.7
60.04530	7.4
65.03958	0.6
67.05510	7.8
69.03424	1.1
69.07063	4.0
69.25966	6.2
71.04986	1.2
71.08611	0.9
72.04423	0.7
72.08135	1.2
79.05501	3.7
81.07056	10.2
83.04980	43.6
83.08615	2.3
87.53112	0.6
91.05492	3.6
93.07058	7.3
95.04973	0.9
95.08607	19.9
95.09185	1.4
97.06527	2.0
97.10155	1.7
98.20796	1.5
99.08092	5.3
100.07590	4.0
100.61036	0.8
105.07046	7.5
106.03943	0.7
107.04947	0.9
107.08598	9.5
109.06504	1.2
109.10162	8.4
111.08094	1.5
116.09518	0.8
117.07027	2.1
119.08585	11.9
121.10150	10.5
123.08076	2.4
123.11738	3.6
125.09635	5.6
125.45331	0.7
129.07024	1.2
131.08577	4.4
132.17702	0.7
133.10127	7.7
135.08119	0.7
135.11676	3.5
137.09605	1.7
137.13287	1.4
139.11198	0.7
141.06874	0.7
143.08549	2.5
145.10112	7.2
147.11682	7.4
149.09633	1.3
149.13266	1.7
151.11234	1.1
155.08571	1.0
157.10114	5.4
159.11693	7.5
161.09621	1.0
161.13255	4.9
162.79024	0.8
163.11208	1.3
163.14857	0.9
165.12804	1.6
169.10153	2.9
171.11696	5.1
173.13211	4.9
175.11241	1.2
175.14859	1.9
183.11696	2.2
185.13266	4.7
187.11230	0.9
187.14836	5.6
189.12772	1.6
189.16414	1.5
195.11761	0.9
196.12442	0.8
197.13287	1.9
199.14807	2.4
201.12741	1.4
201.16431	2.1
203.14301	1.4
203.17970	1.0
205.15826	1.0
209.13277	1.9
210.13884	0.7
211.14825	2.5
213.16370	5.3
215.14365	1.7
215.17937	1.2
217.15880	0.8
222.14867	1.0
223.14728	1.4
225.16443	2.0
227.17944	3.7
229.19453	0.9
231.17480	1.5
237.16469	1.1
239.17955	1.4
241.15945	1.1
241.19472	1.2
243.17529	0.9
245.19099	2.1
251.18030	1.3
253.19525	2.0
257.19061	1.5
271.20560	3.1
279.21106	2.4
281.19272	1.0
281.22604	1.3
283.20587	1.1
285.22198	1.4
295.20709	2.2
297.22269	1.6
309.22165	1.3
311.23734	2.7
313.25195	1.4
339.27045	2.2
347.27020	0.9
365.28378	10.6
383.29443	29.7
397.30994	0.9
404.66025	0.7
437.34186	35.2
455.35165	1.8
496.38077	4.3
514.38965	100.0
515.39227	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	515.2065
Annotation	Cochinchinenin
Peak:m/z	Relative Intensity
53.03938	0.5
57.03413	0.6
57.07045	0.5
65.03912	0.6
67.05494	1.4
69.03423	1.2
70.06563	0.5
70.23860	1.8
71.04974	0.5
75.03069	0.4
79.04639	0.5
79.05487	1.1
80.21007	0.5
81.03423	0.6
81.07047	1.3
82.11403	0.5
85.02878	0.8
91.05484	8.7
93.07039	1.6
94.04176	1.3
95.04964	1.8
95.08599	1.2
97.06528	0.6
105.07014	1.6
107.04955	2.2
107.08592	1.1
109.10167	0.7
115.39847	0.4
117.07070	0.5
119.04956	5.3
119.08593	0.6
121.06464	0.7
121.10152	0.8
122.03622	2.4
129.07033	0.6
131.04910	1.5
131.08571	0.7
133.10109	0.7
136.05202	1.1
137.05980	22.7
138.06300	3.2
141.07001	0.6
145.06461	0.8
145.10138	0.5
147.11761	0.5
151.07538	10.8
152.06174	0.7
153.07019	2.2
157.06462	1.9
157.10147	0.7
165.06970	1.2
167.05237	1.0
167.08588	1.1
169.06479	1.3
170.07278	3.0
171.08025	1.1
180.54271	0.5
181.06483	19.2
182.07249	5.5
183.08104	3.7
185.09648	2.3
187.07538	0.5
195.08058	3.7
196.05161	1.2
197.05978	2.6
198.06764	14.8
199.07466	2.9
209.05872	1.0
210.06845	0.6
211.07555	2.6
212.08197	0.6
213.09102	6.2
225.05411	0.8
226.06218	1.4
227.07074	1.7
229.08730	0.6
239.07060	1.1
240.07668	1.0
241.08592	100.0
242.09335	10.0
257.08115	0.9
281.09570	0.6
298.09979	0.8
299.10446	0.8
305.11670	0.9
313.12268	1.3
317.11783	0.7
327.09991	0.7
331.13235	2.0
341.11691	1.5
342.12503	1.5
345.11240	0.8
359.12897	3.1
360.13599	2.5
373.14362	1.3
391.15414	5.9
459.32687	1.0
515.20776	15.5
515.35553	8.1
516.20740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2079
Annotation	Cochinchinenin
Peak:m/z	Relative Intensity
53.03948	1.7
55.05491	0.9
65.03930	1.0
69.03440	0.9
70.42075	1.9
79.05482	3.4
81.07043	2.9
85.02888	1.1
91.05485	7.6
93.07027	4.2
94.07373	1.0
95.04984	1.7
95.08585	1.7
97.05067	1.0
103.05454	5.2
105.07029	1.6
106.88410	1.1
107.04926	2.3
107.08614	1.1
108.05751	1.5
109.06522	1.6
109.10186	0.9
113.77136	0.9
115.05463	1.0
118.04176	1.5
119.08597	1.2
121.06501	2.2
123.08080	3.6
131.08559	1.2
133.06494	2.9
135.08046	1.1
136.05264	2.0
137.05978	25.4
151.07542	30.9
153.07004	1.7
157.06468	1.5
165.09135	3.2
181.06490	5.9
183.08067	1.6
187.07587	1.7
197.05937	1.6
198.06744	2.3
199.07584	2.1
205.06554	1.0
209.06065	1.1
210.06824	1.1
211.07593	3.3
213.09119	5.3
225.05547	1.2
226.06197	1.0
227.06996	2.4
231.08057	1.4
240.07817	1.7
241.08566	24.4
242.09361	7.7
245.09673	1.7
246.10277	1.1
255.07909	1.9
256.08829	2.0
257.09711	3.5
258.10394	1.2
259.11145	1.2
260.08337	1.1
267.08066	1.4
268.08725	1.3
269.09824	1.8
271.11200	1.2
273.09058	2.6
273.11417	2.5
274.09875	3.5
275.10651	1.3
283.07721	1.2
284.08401	3.3
285.09106	10.8
286.09799	4.2
287.07034	1.1
287.10635	1.7
288.07587	1.1
291.09903	1.0
297.08994	1.3
297.61279	0.9
298.09854	1.5
299.07498	1.1
299.10544	5.1
300.11111	1.3
301.08548	3.7
301.11624	1.1
302.09402	8.5
303.10172	5.3
312.07758	2.0
313.08667	7.8
314.09320	3.6
315.10217	6.3
316.10822	4.3
317.11633	10.1
318.12354	2.9
327.10193	7.0
328.10849	3.1
329.07980	3.2
329.11700	2.9
330.08771	4.1
331.09641	6.4
331.13184	1.6
334.11758	1.0
343.09476	1.2
344.10336	3.3
345.11246	22.5
346.11929	13.0
347.09225	1.2
347.12735	5.2
353.25897	1.8
359.12787	11.2
360.13391	3.1
362.11414	3.3
363.12195	5.6
377.13852	29.6
378.14188	3.1
391.15497	1.9
465.17032	1.3
474.97308	1.1
483.18030	2.5
484.18796	1.7
515.20624	100.0
516.20917	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	515.2065
Annotation	Cochinchinenin
Peak:m/z	Relative Intensity
53.78105	0.4
55.38610	0.4
55.73161	0.4
59.12145	0.4
65.03916	1.1
70.76426	0.7
70.76756	0.8
79.05479	0.8
81.07046	0.6
83.08604	0.5
85.02879	0.6
87.67546	0.4
91.05487	19.5
93.07054	0.4
94.04155	1.2
95.04969	2.8
95.08591	0.5
105.07085	0.5
107.04909	1.8
108.05700	0.4
119.04135	0.6
119.04943	11.1
119.08565	0.6
121.06448	0.5
122.03661	2.4
123.03942	0.5
123.07978	0.5
128.06233	0.5
129.07010	0.4
131.08603	0.6
133.10081	0.4
136.05159	1.8
137.05989	30.1
138.06314	6.2
141.06982	0.7
145.06372	0.4
147.04422	0.6
149.05855	0.5
151.07549	35.1
152.06184	1.4
152.07787	0.6
153.06990	3.1
155.08516	0.5
157.06424	1.6
157.10080	0.5
163.07509	0.6
165.06989	1.0
165.09116	0.5
167.08563	0.9
168.05562	0.4
169.06445	0.9
170.07256	1.9
171.08011	0.7
180.05551	0.7
181.06479	11.5
182.07275	4.5
183.08041	1.8
185.05923	0.7
185.09607	1.7
187.07524	1.0
195.08034	3.3
197.05951	1.6
198.06773	13.0
199.07629	0.8
209.06032	0.9
210.06750	0.7
211.07532	1.6
212.08163	0.9
213.09131	5.0
225.05505	0.7
226.06163	1.7
227.06879	0.8
239.06956	0.4
240.07805	0.5
241.08601	100.0
242.09172	3.5
255.10149	1.0
257.09674	0.7
273.27020	0.5
281.09454	0.8
286.09253	0.5
287.10535	0.7
298.09900	1.1
299.10541	2.1
300.11450	1.8
301.08398	0.7
302.09286	0.6
309.08725	0.4
313.08667	1.0
313.12228	1.2
314.09399	0.7
315.10077	1.5
316.10941	1.4
317.11728	1.2
326.09418	0.7
327.10083	1.3
328.10876	0.9
329.08011	0.8
329.11682	0.6
330.08759	0.4
331.09546	1.0
331.13306	4.8
333.10889	0.6
341.11612	2.0
342.12482	1.3
343.09543	1.2
344.10489	0.8
345.11105	1.6
345.14789	0.9
347.12448	0.9
358.12085	1.5
359.12741	4.7
360.13535	2.5
361.10907	0.5
373.14294	1.4
376.13263	2.2
377.13672	0.6
378.14008	0.7
379.15414	0.7
391.15430	12.9
483.18005	0.9
515.20447	29.7
516.21008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01860	2.5
55.05512	1.8
55.72771	1.3
56.12830	1.3
56.87507	1.4
60.34679	1.2
65.03931	2.0
67.05503	5.9
68.78489	1.6
69.03442	2.0
69.07069	2.3
69.97168	7.0
70.06583	2.7
72.08168	1.5
73.66882	1.4
77.03967	1.4
79.05495	5.0
81.07061	6.6
83.08638	1.5
91.05484	17.6
93.07040	10.5
95.05001	2.2
95.08620	4.2
97.91723	1.3
103.05486	5.2
105.07066	5.3
107.04970	6.4
107.08601	2.6
108.38082	1.5
109.06544	2.5
111.36689	1.6
117.07048	1.7
119.04939	2.6
119.08588	2.2
121.06519	5.5
121.10224	1.9
123.08047	8.8
133.06496	5.4
133.10162	2.7
136.05219	6.6
137.05952	12.3
151.07541	79.7
157.10179	1.8
161.06035	3.9
161.13368	1.6
165.07036	2.0
165.09093	8.1
169.26874	1.5
171.07983	1.6
171.11794	1.9
175.07559	2.2
181.06535	2.7
187.07626	3.9
196.05382	2.2
197.05795	2.4
198.06859	1.9
211.07639	4.4
212.08089	2.8
213.09003	1.9
227.06860	1.8
239.06937	3.6
240.07588	1.9
241.08611	15.1
242.09428	4.1
246.06714	1.9
247.07571	1.8
257.09683	3.3
261.09335	2.9
271.11374	1.9
273.09146	2.8
274.09821	2.0
275.10626	3.1
278.09439	2.1
284.08377	4.5
285.09076	10.3
286.09845	3.8
288.07663	1.9
288.11005	2.0
289.08682	4.4
291.10181	2.7
297.09012	2.0
298.10104	2.5
299.10675	8.5
301.08868	4.1
302.09476	6.2
303.10205	5.0
305.08093	1.5
312.08011	2.0
313.08609	22.1
314.09369	5.3
315.10114	6.4
316.10950	3.8
317.11755	17.4
318.12506	5.1
319.09787	2.2
319.13242	1.9
321.11246	4.3
327.10153	10.5
329.08240	4.7
329.11853	2.3
330.08841	7.0
331.09650	6.3
331.13370	5.1
334.12042	2.8
343.09705	3.6
344.10352	9.8
345.11197	55.5
345.15320	2.9
346.12006	10.0
347.12906	3.1
349.14185	2.1
359.12738	39.3
359.16843	2.6
360.13321	4.6
362.11591	6.9
363.12445	4.0
377.13828	100.0
378.13974	8.6
391.15781	7.5
451.15710	2.4
483.18158	7.5
515.20734	92.4
516.21167	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	515.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53106	0.3
53.03931	0.3
55.05505	1.3
57.03437	0.7
57.07065	0.5
67.05515	2.1
68.94483	0.3
69.03441	0.4
69.07056	1.2
69.30934	2.4
71.04991	0.3
79.05506	1.5
81.07063	2.0
81.75604	0.3
83.04969	0.9
83.08604	0.7
83.58131	0.3
85.02897	1.1
85.10091	0.3
86.09702	0.5
91.05470	1.1
93.07046	1.4
95.01283	0.3
95.08613	2.7
97.06521	0.6
97.10150	0.7
98.20773	0.6
105.07024	0.9
107.08604	1.4
109.10166	1.0
119.08575	0.8
121.10136	1.1
123.11775	0.4
131.08606	0.8
133.10103	0.5
135.11668	0.8
135.78889	0.3
139.07544	0.4
143.08461	0.3
145.10147	0.9
149.13240	0.5
150.36217	0.3
151.63992	0.3
159.11682	0.5
161.13306	0.4
185.04274	0.6
223.15074	0.4
265.25049	0.6
282.82153	0.3
303.75140	0.3
339.29114	0.5
423.31845	0.4
497.35587	0.4
515.31891	100.0
516.32159	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01852	5.0
55.05501	17.2
57.03432	13.4
57.07048	7.1
61.02932	4.2
63.56613	4.0
63.87366	3.5
67.05505	93.2
67.52262	4.0
69.03432	6.4
69.07074	20.6
69.78286	20.7
70.49827	4.5
71.04973	4.2
79.05492	52.4
81.06593	6.7
81.07059	100.0
83.08630	7.8
85.02872	7.7
91.03947	5.7
91.05481	30.1
93.07040	56.6
93.58106	3.7
95.04942	6.2
95.08614	76.7
97.02908	6.1
97.10195	8.4
98.21447	6.2
99.08096	7.0
105.07024	29.9
105.96503	4.0
107.08613	37.3
109.06491	6.7
109.10165	41.5
111.08093	6.4
112.67959	3.6
117.07034	16.5
119.08585	25.6
121.10115	35.3
123.11686	24.6
131.08588	26.9
133.10136	16.1
135.11694	36.4
137.09624	5.4
137.13232	7.0
143.08556	6.2
145.10136	21.1
147.11707	16.7
149.13251	16.5
159.11711	22.2
161.13271	10.4
163.14812	15.0
165.80637	4.0
173.13237	23.2
175.14810	4.2
177.16380	9.6
187.14790	5.2
205.15678	3.8
223.29401	5.0
236.50261	4.4
243.21046	23.9
261.22128	79.9
279.23215	5.3
335.25806	30.5
345.24326	5.8
353.26846	16.7
419.27213	4.5
497.31088	6.2
504.40826	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01867	3.4
55.05514	27.6
57.03424	9.8
57.07058	4.8
67.05509	91.6
69.03429	8.6
69.07074	18.7
70.32816	12.2
71.04982	6.1
79.05494	60.3
81.03423	9.9
81.06596	5.9
81.07062	100.0
83.04991	4.1
83.08624	10.8
85.02920	5.9
89.18814	3.1
91.05486	37.8
93.07049	61.9
95.04987	8.8
95.08607	70.1
97.02883	6.8
97.06509	6.9
97.10137	3.9
99.08064	4.6
105.07040	31.8
107.08581	43.0
109.06506	6.1
109.10159	30.3
111.08073	4.2
117.07013	9.0
119.08611	20.9
120.92506	3.7
121.10155	37.0
123.08057	7.0
123.11724	18.1
129.07021	4.4
131.08583	29.0
133.10172	20.2
135.07999	4.4
135.11687	33.7
137.09555	5.2
137.13213	5.3
143.08571	5.0
145.10127	22.1
147.11693	13.5
149.13290	20.0
157.10126	3.9
159.11719	15.5
161.13287	13.4
163.14874	15.7
173.13339	17.9
175.14854	3.5
187.14859	9.5
230.44519	3.2
243.21118	19.8
261.22156	63.4
274.90897	3.0
279.23260	3.7
285.22055	5.0
294.36823	3.8
303.23236	4.6
335.25601	11.9
341.24606	4.8
345.24045	4.4
353.26926	19.1
369.24026	5.7
387.25430	5.0
420.33295	4.4
497.31128	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	11.6
55.05513	16.8
57.03425	17.4
61.02934	12.6
61.61158	8.3
67.05508	89.9
69.03419	12.9
69.07047	30.3
71.48679	9.3
71.50592	8.0
72.29356	10.0
73.02924	7.9
79.05086	9.8
79.05494	55.6
81.07056	100.0
83.08611	21.5
85.02888	15.9
91.05507	43.9
93.07053	68.9
95.04988	16.7
95.08611	75.9
99.04449	13.9
101.00201	9.8
105.07054	47.6
107.08591	38.3
109.06516	10.0
109.10137	27.7
111.08097	12.7
117.06995	23.9
119.07767	8.3
119.08526	42.6
121.10119	37.8
123.05545	18.3
123.11715	12.3
131.08562	35.0
133.10101	31.0
135.11674	35.5
145.10103	26.5
145.47194	9.3
147.11658	18.7
149.09694	14.0
149.13254	22.5
159.11656	30.3
163.14833	14.9
173.13313	23.0
187.14798	8.6
196.50235	8.7
206.45615	8.7
224.08699	9.4
243.21048	11.3
261.22095	40.7
301.21579	10.3
303.23154	10.1
335.25745	19.3
345.24014	8.8
353.26746	9.4
369.23981	15.1
497.31009	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.3
55.01872	9.7
55.05497	19.4
57.03444	7.8
57.07077	7.9
59.90942	7.1
67.05505	87.3
69.03410	19.8
69.07062	20.2
69.48637	48.6
79.05497	54.8
81.03415	10.9
81.07059	100.0
83.08574	8.1
91.05492	44.8
93.07051	77.6
95.04947	14.1
95.08054	9.7
95.08608	82.8
97.02943	8.3
97.06540	7.0
97.10184	8.5
99.08097	8.5
105.07058	47.3
107.04932	10.7
107.08603	37.6
109.10151	30.8
115.53358	7.5
117.07001	15.2
119.08602	26.4
121.10135	40.6
123.05542	13.9
123.11671	11.9
128.06235	7.7
129.06978	9.5
131.08521	33.3
133.10135	29.1
135.08087	10.4
135.11676	20.7
137.09589	8.6
143.08623	9.3
145.10124	30.6
147.11740	12.4
149.13255	19.8
159.11687	25.1
161.09633	7.0
171.11819	8.4
173.13266	21.0
175.14798	8.5
177.12785	8.6
187.14821	10.1
243.21053	13.3
261.22189	50.1
261.24582	10.6
274.18359	7.7
327.23093	7.2
335.25830	10.4
345.23926	7.9
353.26917	21.1
443.28110	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	515.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01862	3.5
55.05511	29.6
57.03434	22.4
57.07082	16.9
61.02930	59.7
67.05510	41.7
69.03427	34.4
69.07074	40.4
71.01373	4.2
71.04983	6.7
71.08620	4.7
71.49039	3.6
73.02923	25.1
79.05493	22.8
81.03427	19.3
81.07063	38.8
83.04980	6.4
83.08630	25.4
85.02907	65.5
85.06548	4.0
85.10172	4.3
87.04482	6.3
91.03955	34.6
91.05479	15.2
93.07053	27.7
95.04966	3.0
95.08614	43.9
97.02898	50.1
97.06531	4.8
97.10173	23.8
99.04451	10.7
101.02410	12.4
103.03930	9.5
105.07043	9.3
107.04926	3.5
107.08580	15.2
109.02917	10.9
109.10159	18.5
111.04455	3.0
111.08089	4.6
111.11771	3.8
115.03938	5.2
117.07024	2.5
119.08592	3.6
121.10137	24.4
123.11714	7.4
125.09601	3.0
127.03925	22.0
129.05453	6.2
131.08574	6.3
133.10133	30.7
135.11699	21.1
137.13220	3.9
140.81081	2.2
143.08614	2.4
145.04970	9.3
145.10150	3.1
147.11699	3.7
149.09633	7.9
149.13272	11.0
153.12677	3.0
159.11659	4.1
161.13156	2.7
161.95758	2.3
163.11188	2.5
163.14842	3.7
167.14281	2.4
171.10234	4.2
183.06537	5.6
189.11224	4.5
201.07622	6.4
261.25925	9.3
279.26874	32.2
335.97894	2.9
353.30524	100.0
381.30048	4.8
385.63400	2.5
423.31891	3.3
497.34900	7.8
515.36920	26.6
515.51416	3.4
527.33301	2.6
543.92981	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
54.56831	1.2
55.01872	1.5
55.05511	19.2
57.03421	4.5
57.07067	2.3
60.98627	1.5
65.03918	3.7
67.05508	53.9
69.03433	1.6
69.06741	1.2
69.07074	15.0
71.04977	3.1
71.08621	1.2
78.94933	1.2
79.05493	42.7
81.03416	4.4
81.06591	2.3
81.07054	43.2
83.04961	5.8
83.08617	5.4
85.06548	3.6
91.05487	29.5
93.07046	53.2
95.04995	5.8
95.08608	24.6
97.06538	9.7
97.10178	6.3
99.08044	1.5
103.05463	1.6
105.07025	22.4
106.03772	1.1
107.08597	32.3
109.10165	10.4
111.08106	1.7
117.07019	13.2
119.08582	17.3
121.10146	17.4
123.11629	2.6
129.06990	6.4
131.08556	17.3
133.10117	12.3
135.08049	2.1
135.11702	36.1
141.07004	1.7
141.13525	1.3
143.08566	7.3
145.10133	18.8
147.11649	7.5
149.13248	2.8
153.06813	1.2
155.08557	3.3
157.10129	6.6
159.11714	11.3
161.13254	5.2
163.11168	5.3
163.15051	1.3
169.10115	2.8
171.11678	4.9
173.13252	9.3
175.14799	2.4
176.94342	1.4
181.12274	5.3
183.11700	3.9
185.13277	4.0
187.14813	3.5
189.16359	1.8
194.53642	1.2
195.11699	2.7
197.13284	2.1
197.42981	1.3
199.14824	3.4
201.16249	1.4
209.13245	2.8
211.14833	1.4
213.16437	2.0
219.17554	1.5
223.14828	1.6
228.97440	1.4
261.22171	4.0
285.18280	1.5
299.23761	1.7
301.16251	1.3
311.23569	1.6
315.44403	1.2
405.31461	3.5
423.32666	7.7
441.33762	3.9
497.35995	3.0
515.37244	100.0
516.38013	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65574	0.8
53.03932	4.0
55.01863	2.9
55.05511	18.1
56.30700	0.8
57.03433	5.5
57.07063	2.2
58.57875	0.9
65.03937	2.8
67.05507	45.9
69.03455	0.9
69.07069	13.3
69.61441	6.0
71.01354	1.0
71.04980	3.2
77.03928	1.3
79.05495	38.5
81.03417	1.9
81.07056	36.9
81.25772	0.9
83.04980	8.2
83.08606	5.8
85.06542	2.5
91.05483	24.9
93.07044	46.7
95.04974	5.4
95.08607	26.1
95.09186	1.8
96.66568	0.9
97.06527	6.8
97.10172	6.7
98.21486	1.8
99.08072	1.9
105.04511	1.6
105.07032	18.0
107.04961	2.0
107.08591	29.4
109.06535	2.3
109.10156	11.4
111.08125	2.2
117.07003	10.9
119.08591	14.8
121.10147	14.1
123.11700	2.6
125.09615	2.1
128.06236	1.0
129.07018	4.9
131.08569	16.5
133.10124	10.5
135.08041	1.7
135.10706	2.0
135.11693	27.7
137.09618	1.7
141.06969	1.8
142.07889	1.1
143.08578	9.2
145.10132	18.7
147.11713	6.3
149.13268	3.5
153.12735	3.2
155.08554	1.9
157.10121	7.6
159.11708	12.9
161.13274	4.0
163.11185	4.2
163.14880	1.2
167.08527	1.0
169.10144	4.0
171.11725	5.5
173.13237	8.1
175.14922	1.8
181.10094	2.0
181.12238	5.0
183.11667	3.4
185.13217	5.1
187.14828	3.2
195.11717	1.9
197.13329	2.6
199.14821	3.7
201.16330	2.3
209.13338	1.7
211.14886	1.6
213.16417	1.6
215.17947	1.3
223.14844	1.5
243.21158	1.7
257.18726	1.1
261.22189	4.2
290.95728	1.0
299.23770	1.6
311.23633	1.4
317.24820	1.3
405.31537	3.2
423.32568	11.2
441.33618	3.9
459.34778	1.7
474.57916	1.3
479.35373	1.6
497.36270	4.7
515.37329	100.0
516.37665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
54.81319	0.4
55.01841	0.5
57.03427	0.8
61.02904	0.9
63.77972	0.3
66.92174	0.3
69.03438	3.6
69.06743	0.3
69.07069	4.5
69.59900	0.3
69.60204	2.3
70.06597	2.6
72.08144	0.6
73.02910	0.7
74.06066	0.3
81.03392	1.2
84.04487	0.4
84.08130	0.8
85.02447	0.5
85.02910	6.2
86.09682	1.5
86.49815	0.3
87.04442	0.9
87.08096	0.5
87.86665	0.3
91.03944	0.5
97.02906	2.2
99.04424	0.8
107.04934	0.6
109.02837	0.6
112.08699	0.8
119.03553	0.6
127.03877	1.2
129.10190	0.5
136.06194	29.4
137.04570	1.0
145.04950	0.4
148.06177	15.3
155.05644	0.7
166.07211	0.7
204.12439	7.2
206.22859	0.3
222.13509	100.0
223.13835	0.7
225.17119	0.6
354.17639	3.8
384.18796	47.9
385.19147	0.5
516.23102	22.1
516.31036	1.6
517.23431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.05499	1.5
59.64833	1.4
61.02924	1.9
67.05489	6.4
67.51234	1.4
68.51218	1.4
69.03424	4.3
69.07045	1.9
70.06598	8.4
71.48344	2.2
72.08147	2.0
72.74418	1.6
79.05492	7.9
81.03405	3.2
81.07053	5.1
85.02901	2.9
86.06077	15.8
86.09703	3.1
91.05488	4.6
93.07041	6.4
95.04957	2.6
95.08613	3.0
96.08094	2.0
97.06528	2.6
98.06060	8.8
103.05458	1.9
105.07026	5.5
107.04958	87.7
107.08590	3.3
108.05283	24.2
116.10718	2.2
117.07008	2.3
123.04340	1.9
124.07572	7.5
131.04921	2.5
131.08553	2.3
132.26329	1.3
133.10138	2.4
137.05995	2.2
145.06552	1.8
145.10107	1.9
150.09238	3.0
157.06494	2.0
157.10149	1.7
159.08054	2.2
159.11697	3.6
165.07034	1.9
173.09627	3.5
177.12746	100.0
178.13161	1.9
183.07993	2.3
184.07307	2.9
185.09636	1.6
187.11188	2.3
192.04173	1.4
201.09138	3.3
202.09323	2.0
205.12222	2.8
207.04607	1.5
207.06532	5.8
211.07521	4.6
215.10678	4.1
247.09612	13.6
248.10005	16.0
262.18027	10.8
280.19031	1.8
321.35980	1.4
336.21710	41.7
437.53836	1.5
453.11612	1.5
516.18762	3.4
541.66266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.5
56.05026	0.6
57.05815	0.6
67.30118	0.4
67.81888	0.4
69.07075	0.5
69.46003	3.0
69.80968	0.4
70.06577	2.1
71.68105	0.4
72.08156	51.9
72.34039	0.4
84.08163	0.6
86.09707	100.0
87.10043	0.8
87.11729	0.4
88.03998	1.5
107.04974	2.9
110.02408	1.6
120.08110	0.5
147.43677	0.4
156.02913	1.8
157.13371	0.8
165.38943	0.4
173.05635	1.6
183.11342	2.9
185.16496	27.7
191.06641	5.9
199.18080	3.3
201.12321	3.7
204.20724	0.5
213.15981	41.3
214.16383	0.7
227.17570	2.4
229.11848	15.9
229.13925	0.7
254.12613	0.5
281.22351	1.8
286.14017	1.9
296.63965	0.5
304.15060	16.2
326.24387	6.3
328.18875	0.5
342.20282	1.6
385.20261	0.6
417.23544	1.7
441.27075	3.5
485.44760	0.4
516.30518	1.6
517.22406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
57.05801	0.3
58.06597	0.2
69.07076	4.8
74.06091	3.9
74.25764	0.2
81.03413	0.4
86.09713	100.0
87.10057	0.6
98.06076	0.7
98.21625	0.5
107.04967	1.6
116.07074	0.6
126.05531	5.7
139.75504	0.3
144.06564	0.6
157.13347	4.1
182.29634	0.2
185.12859	5.1
189.12335	2.0
195.11389	0.4
211.14490	1.0
229.15326	0.3
239.13921	19.9
250.65828	0.3
257.14984	17.8
260.16074	0.9
287.88528	0.3
298.21280	0.4
300.19263	1.0
312.54208	0.2
328.18695	28.8
329.19000	0.3
378.10388	0.3
441.27576	0.4
516.21149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	13.7
57.07073	9.1
59.52605	1.2
59.72835	1.3
60.04522	22.3
61.02922	2.4
69.03421	4.4
69.07069	17.4
70.06595	38.3
71.06972	1.2
71.48364	2.6
71.48756	1.3
71.89108	1.3
72.08160	23.0
79.05526	1.1
81.03407	1.4
81.07068	2.8
83.08622	35.5
84.04520	2.1
84.08137	5.0
85.02908	15.8
86.09708	100.0
87.05596	11.0
93.04508	1.2
93.07029	2.7
95.04965	1.4
97.02896	4.0
97.10146	7.0
103.05483	1.8
105.06628	2.3
107.04957	8.0
109.02909	1.6
110.09698	1.5
115.08711	1.7
116.07094	46.7
118.57576	1.2
120.08111	11.0
122.06034	3.4
124.07523	2.1
127.03913	4.0
127.33569	1.5
128.10704	9.6
129.10213	2.3
131.04953	1.6
136.07600	2.2
139.14842	3.2
142.08630	3.4
143.11888	1.5
145.04979	4.6
155.11862	1.7
157.15894	32.6
163.06013	2.3
173.12865	87.8
175.16960	4.0
179.29108	1.3
183.11281	6.2
201.12355	31.5
215.10306	1.7
215.14024	2.0
219.14946	2.3
229.15491	3.0
265.17160	1.6
270.14481	47.0
288.15552	18.7
328.18570	1.3
355.23419	7.8
355.27072	1.3
373.24475	4.1
383.22867	24.7
401.23755	2.0
412.82675	1.3
516.19659	1.9
516.27679	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	516.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50451	4.1
55.05505	11.1
57.03432	5.6
57.07078	11.3
60.81828	4.7
66.30412	3.8
67.05508	78.5
69.07066	20.2
71.04987	4.3
71.08634	5.5
71.23868	4.2
71.48643	7.3
79.05479	26.5
81.07057	100.0
83.05005	5.6
83.08617	11.9
91.05476	17.7
93.07052	28.1
95.08604	82.7
105.07040	16.8
107.08574	20.0
109.10152	54.6
117.07018	6.8
119.08627	8.8
121.10133	19.2
123.08080	4.8
123.11694	27.9
131.08571	13.9
133.10147	14.0
135.11713	15.0
137.13255	8.5
145.10126	10.5
147.11737	7.0
149.13304	8.1
159.11696	7.9
161.13268	7.8
163.14828	8.0
173.13260	12.4
223.16972	5.2
243.21071	10.4
261.22116	35.8
276.00174	4.3
279.23291	20.7
280.74942	4.7
298.10355	5.5
313.27356	34.3
337.27390	17.7
457.85852	4.4
516.38519	8.5
517.38770	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	516.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78549	3.3
53.03943	7.4
55.01888	3.1
55.05516	16.4
57.03450	3.2
57.07073	9.3
61.24723	3.0
65.03941	3.1
66.74311	2.7
67.05510	46.6
69.07062	27.2
69.73492	11.7
71.04967	4.7
79.05497	41.7
81.07063	70.4
83.04965	5.2
83.08607	13.3
85.06527	5.6
87.04485	4.8
91.05479	36.1
93.07051	69.7
94.07334	5.5
95.04961	7.3
95.08609	100.0
97.06518	8.2
97.10175	5.8
99.08094	7.3
105.07026	49.8
107.04976	3.4
107.07877	6.1
107.08598	90.7
108.08886	3.7
109.06530	8.3
109.10158	63.6
111.08079	8.7
117.07032	14.4
119.08581	50.9
120.08939	4.4
121.06509	9.4
121.10145	55.2
123.08070	10.2
123.11716	23.2
125.09639	10.5
129.07008	6.9
131.08578	25.0
133.10139	42.3
135.08052	13.9
135.11697	43.9
137.09589	5.2
137.13266	9.8
139.07600	3.7
143.08542	9.5
145.10144	34.0
146.10475	3.6
147.08028	5.6
147.11699	24.0
149.09622	17.9
149.13272	12.9
149.60828	3.1
151.11197	8.1
153.09111	9.1
153.12776	6.5
157.10136	10.6
159.11713	27.4
161.09618	9.1
161.13232	19.3
163.11133	7.6
163.14819	17.8
167.10696	17.4
169.10118	4.4
171.11693	8.5
173.09775	3.4
173.13237	20.3
175.11206	6.4
175.14821	12.6
177.09085	4.6
181.12170	4.1
183.11708	6.4
185.13280	13.0
187.14799	20.2
189.12740	4.5
189.16466	5.5
195.11595	3.5
197.13171	4.0
199.14746	8.8
201.12662	3.5
201.16441	3.2
203.14342	5.3
205.12299	3.5
205.15868	25.8
207.13661	3.4
213.16277	4.1
215.17957	10.0
219.13818	3.5
220.69464	2.9
223.16905	32.4
225.16449	4.0
227.17964	7.9
229.19453	10.7
231.21106	3.7
233.15376	10.1
235.16982	7.5
237.16321	3.8
239.18018	3.5
241.19539	11.4
247.17084	4.9
247.20508	8.2
255.21159	4.3
259.20642	9.8
340.63361	3.3
357.28018	3.1
407.29346	3.9
425.30338	4.2
431.54865	3.3
453.37128	4.0
456.86755	3.0
463.35379	19.7
481.36700	53.1
499.37402	6.0
516.37225	30.3
517.36737	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	517.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90440	0.4
53.03956	0.6
55.01853	0.6
58.42965	0.5
66.04719	1.2
67.05494	0.4
70.61625	1.4
76.48594	0.5
79.05484	1.9
81.07067	2.1
89.03910	1.9
91.05502	2.7
94.04192	5.3
95.04890	0.4
95.08624	0.6
103.05486	1.6
105.07034	5.1
107.04960	1.9
109.06499	3.2
115.05485	2.3
117.03382	4.9
119.08627	0.5
121.10159	0.5
122.03668	11.0
122.15152	0.4
123.11756	0.5
124.56788	0.4
128.06238	1.7
129.06999	0.8
130.04303	0.4
131.04921	2.2
131.08760	0.5
133.06488	3.4
135.04422	0.5
137.05983	100.0
138.06328	0.9
141.06970	1.1
143.08450	0.4
145.02838	6.9
145.06458	0.8
146.03658	2.1
149.06007	1.6
151.07523	0.5
153.35466	0.5
156.05721	1.2
159.08066	0.8
161.05988	27.6
165.06982	0.5
168.05716	0.8
169.06230	0.5
171.08009	1.3
175.07570	1.5
177.05469	10.7
182.07376	0.5
184.05215	2.3
184.61813	0.4
187.07574	1.7
189.07056	0.5
191.08511	2.2
192.09309	0.9
199.07544	17.4
202.07773	8.4
203.08565	12.4
204.09314	1.1
205.06497	1.2
207.08113	0.5
213.70184	0.5
215.08591	0.7
219.08057	4.9
220.08824	4.0
221.05919	0.5
221.09566	0.7
230.07339	1.3
231.08066	16.3
232.08823	3.8
233.06036	0.6
235.11176	0.9
238.73346	0.5
245.09647	1.0
247.07536	2.7
248.08392	7.7
249.09145	1.9
255.10231	1.4
258.06836	0.9
259.07538	12.7
260.08337	6.8
261.09042	1.7
262.09909	1.0
263.10660	8.1
265.08511	0.9
274.09711	0.5
275.06970	1.5
275.10165	0.5
276.07819	7.8
277.08633	3.9
279.09824	0.5
280.10974	0.5
280.85614	0.5
290.09232	0.5
291.10156	48.4
292.10867	4.8
292.87738	0.4
292.97366	0.5
293.08105	1.5
295.13290	2.6
308.10535	1.7
321.11346	0.8
323.12787	18.5
324.13684	0.5
329.10263	0.8
387.83902	0.5
434.12152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.21789	0.3
55.01869	0.8
55.05493	0.3
63.02385	0.4
65.03945	0.6
65.13013	0.2
66.04719	0.9
67.05526	0.3
68.62891	0.3
69.03419	0.6
69.07072	0.3
71.48000	0.4
79.05070	0.4
79.05494	2.7
81.07070	1.9
85.02896	0.4
86.09702	0.4
89.03902	2.5
91.05477	3.2
93.07056	0.5
94.04189	6.1
94.65403	0.3
95.04978	0.5
95.08607	0.7
99.95489	0.3
102.04635	0.3
103.05470	2.7
105.04546	0.4
105.07035	5.2
107.04970	1.9
109.06517	3.0
109.10150	0.5
115.05444	2.8
117.03371	4.3
117.07014	0.4
118.04148	0.9
119.04969	0.4
119.08544	0.7
121.06500	0.8
121.10188	0.3
122.03648	11.3
123.04433	0.5
127.03916	0.3
128.06244	2.3
129.07030	0.6
131.04922	2.7
132.05721	0.3
133.06499	3.1
133.10121	0.3
134.03618	0.7
135.04436	0.5
137.05978	100.0
138.06291	0.5
141.07011	0.9
143.04939	0.3
143.06010	0.6
143.08577	0.5
145.02843	7.3
145.06502	0.6
146.03600	2.2
147.04517	0.6
147.08025	0.6
149.06020	1.8
151.03899	0.6
155.06097	0.3
156.05692	0.8
159.08052	0.9
159.11667	0.4
161.05981	28.0
162.06560	0.3
165.07047	0.8
167.07112	0.4
168.05695	0.6
169.06563	0.4
171.08038	1.6
175.07504	1.5
177.05482	8.8
177.06935	0.3
178.07721	0.3
184.05159	3.0
186.05412	0.4
187.07513	2.0
189.07074	0.7
190.07768	0.5
191.08554	1.7
192.09338	1.1
199.07544	17.0
201.07297	0.3
202.05901	0.4
202.07777	7.9
203.08556	12.9
204.09396	1.0
205.06459	1.1
207.07988	0.4
213.07004	0.3
215.08658	0.7
218.07318	0.6
219.08038	3.7
220.08821	5.3
221.09660	0.5
222.06567	0.3
229.06436	0.4
230.07265	1.3
231.08058	18.2
232.08800	4.9
233.05949	0.5
233.09604	1.1
234.06567	0.4
235.07622	0.5
235.11227	0.9
237.09113	0.6
245.09778	0.7
247.07570	3.2
248.08316	9.9
249.09103	1.5
250.06232	0.3
251.06998	0.3
255.10204	1.0
258.06796	0.8
259.07541	12.5
260.08313	6.6
261.09229	1.1
262.09818	1.0
263.10684	9.2
264.11401	0.3
265.08563	0.7
273.09167	0.4
274.10141	0.4
275.07028	1.5
276.07831	7.3
276.10858	0.4
277.08630	3.8
280.07446	0.5
280.10657	0.4
283.09622	0.4
289.08588	0.4
290.09390	0.4
291.10153	45.2
292.10870	5.3
293.08032	1.2
295.09644	0.9
295.13266	2.0
308.10336	1.3
323.12769	17.8
324.13342	0.3
375.17352	0.4
517.30817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
53.43972	0.9
55.05508	1.4
55.34855	0.9
56.05039	44.7
57.03429	1.1
61.01154	30.4
67.05507	1.6
69.03416	3.1
69.07088	1.2
69.09634	1.0
70.13954	3.9
74.06088	12.8
74.75817	1.2
79.05506	2.8
81.03414	1.1
81.07056	3.3
81.53153	0.9
84.04507	70.3
85.02905	4.3
86.09708	24.7
91.05493	1.9
93.07059	1.8
93.43368	1.0
93.47959	1.1
95.04963	1.6
95.08596	1.7
98.06060	26.5
99.04465	1.1
100.11238	1.3
102.05547	100.0
103.05457	2.3
104.05332	89.2
105.07031	2.5
105.97661	1.0
107.04946	7.6
107.08601	1.5
109.10159	1.5
112.03964	4.8
112.07595	1.3
119.08578	1.2
121.10162	2.7
122.06033	6.9
125.09580	1.1
125.77270	1.0
127.11194	1.1
130.05031	2.0
131.04912	7.0
137.05992	2.3
139.08661	2.3
140.07085	3.7
141.06577	1.5
145.10104	1.6
146.06354	62.9
149.09579	0.9
150.05499	15.3
156.13774	0.9
158.08177	1.7
165.09184	6.6
167.08180	31.1
168.06599	2.0
169.13295	1.2
174.05856	48.9
185.09261	10.3
185.13242	1.0
187.07230	3.3
195.07668	42.2
197.12874	1.3
203.10295	8.7
207.13872	1.2
211.07660	1.9
213.08708	68.3
224.86894	1.0
231.09778	2.7
277.08261	1.2
285.09235	1.6
291.10178	1.4
303.10101	35.3
309.11029	1.9
321.11169	1.9
326.17166	1.1
337.10834	4.4
350.21912	1.1
358.14328	3.9
360.12338	4.3
368.12747	2.9
376.15240	5.1
386.13803	84.0
387.13995	1.4
404.14978	12.7
432.18216	1.0
499.22781	2.1
517.18250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11899	4.7
55.05513	26.0
57.03428	9.7
57.07072	8.4
60.71300	4.1
65.03941	4.8
67.05505	94.0
69.03438	6.9
69.07068	35.8
69.23181	42.8
71.80548	4.0
79.05483	30.0
81.07058	100.0
83.08631	25.4
85.02893	8.2
91.05478	20.6
91.29234	3.9
93.07058	33.3
95.04996	7.7
95.08609	78.0
97.06549	6.8
97.10178	12.7
105.07045	16.8
107.08597	21.9
109.10149	31.8
111.11767	6.4
119.08595	13.1
121.10155	22.4
123.11707	15.8
131.08553	5.8
133.10153	13.9
135.11720	11.8
137.13281	10.0
147.11699	11.0
148.71657	4.7
149.13272	15.2
161.13240	9.7
163.14806	11.7
165.16388	8.7
175.14812	9.8
217.19514	4.6
245.22670	48.4
263.23727	58.0
296.39005	5.6
337.27390	47.7
499.32477	6.2
522.09070	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	517.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.54294	3.8
54.87345	3.8
55.05517	31.6
57.03432	8.9
57.07070	10.7
61.02934	5.6
64.50533	4.1
67.05186	6.5
67.05510	88.8
69.03426	14.5
69.07079	33.8
70.92983	4.6
70.93308	4.7
71.04997	5.4
79.05494	36.8
81.03424	9.3
81.07064	100.0
82.53497	3.9
83.04970	5.0
83.08636	22.1
85.02924	8.3
85.10199	4.3
91.05479	31.4
93.07053	47.7
95.04974	5.5
95.08064	6.9
95.08609	72.5
97.02905	8.3
97.06520	9.5
97.10177	10.8
99.04387	3.9
105.07043	29.1
107.04974	5.0
107.08613	27.4
109.06525	5.8
109.10149	32.4
112.64199	4.4
113.00024	7.5
113.78969	4.2
117.07027	7.2
119.08600	24.7
121.10143	20.9
123.08102	6.1
123.11697	15.4
124.03967	68.9
125.04281	17.5
125.09591	5.1
129.06989	8.3
131.08566	16.7
133.10118	22.1
135.08060	7.3
135.11688	14.0
137.13297	7.8
143.08594	8.5
145.10106	8.0
147.11697	11.0
149.13263	10.2
151.14806	5.2
155.08466	6.0
159.11682	8.7
161.13240	8.9
163.11168	4.3
163.14835	7.7
165.16449	4.0
167.08459	6.9
169.10158	13.5
171.11687	4.8
175.14853	9.7
177.12790	4.6
181.10109	4.4
189.16429	7.8
193.10143	7.2
195.11703	6.6
200.74306	4.4
223.14871	6.9
225.16548	4.6
245.22723	25.6
253.19531	4.5
263.23718	28.2
331.26089	6.9
337.27371	32.7
389.26663	4.5
407.27948	5.3
463.30750	5.4
481.31946	5.3
499.32791	7.6
499.39377	5.2
517.40790	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.53801	1.5
53.03954	3.2
55.01868	1.9
55.05515	20.1
57.03426	6.4
57.07074	2.2
65.03941	2.3
65.97950	1.8
67.05507	44.2
67.76222	1.4
69.07074	15.4
69.14445	6.2
69.14864	10.2
71.04980	1.8
76.07417	1.3
79.05497	26.3
81.07060	46.0
83.04955	2.8
83.08605	8.9
87.70035	1.5
91.05486	25.7
93.07046	33.8
95.04978	2.7
95.08615	38.8
95.09187	3.2
97.06550	3.6
97.10168	4.3
105.07034	31.4
107.04955	2.4
107.08604	22.5
109.06531	2.5
109.10158	19.2
111.08061	2.7
117.06992	8.7
119.08587	26.2
121.10145	19.5
123.08084	1.7
123.11710	6.4
128.06259	2.2
129.06999	4.6
131.08566	19.9
133.10146	20.2
134.64787	1.5
135.11697	11.7
137.13387	1.9
143.08508	7.8
145.10129	20.0
147.11662	13.7
149.09579	2.1
149.13274	7.6
157.10162	5.7
159.11697	12.6
161.13257	9.6
163.14816	2.6
169.10100	4.2
171.11725	7.1
173.13281	8.5
175.11238	1.8
175.14876	5.0
185.13324	5.7
187.14853	4.8
189.16489	1.5
197.13309	2.6
199.14871	2.1
201.16406	1.8
237.09517	1.6
259.20676	3.5
261.22211	2.1
271.20544	2.2
279.10333	2.3
299.23770	3.4
313.25357	2.1
314.27814	2.4
317.25211	1.9
327.27100	2.0
333.24118	2.2
343.09012	1.6
405.29599	2.2
407.33188	4.8
425.34256	14.6
440.35474	1.6
443.35336	4.5
499.37894	21.6
517.38983	100.0
518.39600	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	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.01870	1.8
55.05511	18.2
57.03432	5.4
57.07069	6.8
63.83688	1.5
65.03928	2.9
67.05140	2.4
67.05500	31.3
69.03416	2.2
69.07073	16.4
69.17944	17.3
70.14544	1.5
73.57690	1.7
73.97502	1.5
79.05489	24.3
81.07052	37.4
83.04971	2.8
83.08618	9.4
85.06551	5.1
91.05486	27.7
93.07047	32.6
95.04974	4.3
95.08605	31.8
97.06544	5.3
97.10159	4.5
98.21542	3.9
99.08118	1.9
105.07027	24.6
107.04955	2.9
107.08604	18.6
109.06499	2.2
109.10155	13.7
111.08118	4.7
117.07024	8.2
119.08578	24.0
121.10148	15.2
123.08051	1.7
123.11708	5.1
127.07580	2.3
129.07027	4.5
131.08572	19.5
133.10130	33.6
134.10484	7.4
135.11691	10.2
137.13345	2.6
143.08557	6.3
145.10106	17.6
147.11676	13.2
149.09697	4.6
149.13240	8.0
155.08585	3.7
157.10161	4.9
159.11703	11.6
161.13298	8.6
163.14906	2.8
169.10184	3.0
171.10217	4.7
171.11719	4.8
173.13297	9.9
175.14833	3.9
177.12813	2.3
177.16376	1.8
183.11757	2.4
185.13286	5.1
187.14879	4.8
189.11253	5.0
189.16402	4.3
197.13356	2.2
199.14824	4.1
201.16391	2.1
205.15932	1.6
211.14908	2.0
213.14824	1.9
213.16733	1.8
225.16502	1.8
230.54356	1.9
243.29904	1.7
251.79495	1.7
259.20676	2.7
263.96591	1.7
285.22284	2.0
299.24023	2.6
313.25226	2.4
405.30179	2.4
407.33337	3.9
425.34201	12.7
443.35272	5.8
499.37738	17.0
517.38898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.97134	0.7
53.03940	2.0
55.01868	1.6
55.05517	17.1
57.03441	6.0
57.07057	2.7
65.03943	1.6
65.70699	0.7
67.05508	35.2
69.07074	16.2
70.15742	3.3
71.04998	2.0
71.08617	1.4
71.93382	0.7
77.03967	0.7
79.05500	27.1
81.07059	40.9
83.04967	2.2
83.08627	10.6
85.06544	2.7
91.05484	26.1
93.07050	33.3
95.04979	2.2
95.08614	36.6
96.08894	0.7
97.06545	3.9
97.10191	5.1
98.21393	1.2
99.08130	1.5
105.04527	1.4
105.07037	27.5
107.08600	23.5
109.06538	1.7
109.10165	14.4
111.08082	1.9
115.05416	0.8
117.07023	8.8
117.44061	0.8
119.08586	28.5
121.10149	17.2
123.08108	1.5
123.11703	4.6
125.09637	1.7
128.06227	0.9
129.07034	4.4
131.04886	0.7
131.08580	20.8
133.10132	20.6
135.08116	1.1
135.11700	11.0
137.09607	1.3
137.13257	1.5
139.11118	0.9
141.06970	1.2
142.07758	0.9
142.81245	0.8
143.08562	6.4
145.10138	19.8
147.11697	15.7
149.09619	1.6
149.13272	7.3
151.11203	1.2
155.08562	2.5
156.09343	0.8
157.10112	7.2
159.11703	13.1
161.13257	7.8
163.11171	1.5
163.14844	3.7
165.12805	1.0
167.61263	0.8
169.10138	3.3
171.11699	6.8
173.13266	9.9
173.14659	1.0
175.14835	5.0
177.12801	0.9
177.16397	1.9
179.08421	0.7
183.11702	3.9
185.13242	5.1
187.14841	6.0
189.12727	1.1
189.16391	1.8
191.14273	1.2
197.13293	2.5
199.13283	0.9
199.14813	3.9
201.16463	3.3
203.17952	1.7
205.15874	0.9
211.14857	2.3
213.14638	0.9
213.16417	3.1
215.17966	1.4
219.17441	1.0
225.16388	0.9
227.18172	1.6
231.17464	1.0
237.65562	0.9
241.17874	2.0
241.19872	1.5
245.19061	1.6
255.21228	0.9
257.19034	1.2
259.20547	4.6
261.22119	1.1
271.20636	2.1
273.22134	2.0
275.20032	0.9
285.22153	1.1
287.23819	2.3
291.23264	1.3
297.22256	0.8
299.23795	2.7
301.25226	0.9
305.24890	0.8
313.25253	1.5
315.23135	1.6
315.26678	1.2
317.24973	1.2
322.34296	0.9
327.26831	1.5
331.26257	1.7
333.24283	2.6
339.27185	0.7
343.26309	1.0
347.26132	0.8
361.27420	1.0
391.28528	1.9
405.30051	1.5
407.28461	1.0
407.33035	4.1
419.31833	1.5
425.34186	16.5
443.35309	7.1
447.31088	1.0
461.36594	1.1
463.35526	1.0
481.36670	1.2
499.37863	18.0
517.38928	100.0
518.39563	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	1.0
55.05513	16.0
57.03445	5.2
57.07067	2.6
65.03951	1.7
67.05507	32.3
69.07069	15.2
70.07733	3.4
71.04994	2.6
71.08640	1.2
77.03892	0.9
79.05497	21.8
81.03426	1.0
81.07057	38.5
83.04979	0.8
83.08627	9.7
85.06535	2.8
91.05482	22.9
91.06025	1.5
92.02788	0.7
93.07047	32.2
95.04970	2.7
95.08610	32.7
97.06544	3.3
97.10157	3.7
99.08086	1.4
105.04533	0.9
105.07034	25.8
107.04964	2.0
107.08594	21.0
109.06552	1.2
109.10159	14.4
111.08064	1.6
115.05450	0.8
117.07011	6.5
119.08586	25.9
121.09346	0.6
121.10153	16.3
123.08060	1.4
123.11713	3.9
125.09639	1.8
128.06201	0.7
129.06995	4.4
129.42395	0.8
131.08574	17.2
133.10135	19.5
135.11711	10.5
137.09619	0.9
137.13261	0.9
141.06972	1.5
142.07793	1.0
143.08566	6.3
145.10135	17.3
147.11687	13.9
149.09641	2.2
149.13243	6.4
151.11208	0.9
155.08540	1.5
157.10129	5.8
159.11690	13.7
159.72194	0.8
159.91852	0.7
161.09627	1.1
161.13234	8.0
163.11201	1.2
163.13623	0.7
163.14777	3.9
169.10155	1.9
171.11671	7.0
173.13266	9.7
175.14815	4.3
177.12787	1.0
177.16368	1.0
177.27039	0.9
183.11682	3.7
185.13278	4.7
187.14799	4.6
189.12813	1.0
189.16374	1.8
190.20773	0.7
197.13309	1.7
199.13261	1.0
199.14818	3.6
201.16382	2.9
205.15842	1.0
211.14836	1.5
213.16542	1.7
219.17406	1.4
225.16415	2.0
227.18024	1.2
231.17612	1.4
233.18947	1.0
235.16980	0.9
241.18022	2.7
245.19125	1.0
257.18866	0.8
259.20618	3.9
273.22223	1.1
275.20020	1.3
277.21765	0.9
285.22028	1.1
287.23752	2.5
293.21014	0.8
299.23767	1.4
300.59744	0.9
301.21890	1.0
301.25296	1.4
313.25168	1.8
315.23294	0.9
317.24683	1.2
327.26910	1.7
331.26370	1.3
333.24301	2.7
347.26022	0.9
361.27707	0.8
391.28537	1.1
405.30215	2.1
407.28195	1.0
407.33249	3.1
425.34143	13.5
443.35065	5.7
461.36639	1.2
499.30310	1.6
499.37814	20.3
499.44775	1.5
517.38885	100.0
518.39160	2.1
527.89594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.05021	1.5
58.06605	1.8
59.07368	0.6
60.08166	16.4
62.12270	0.5
67.05502	3.2
69.07059	1.1
70.19363	1.7
71.07375	7.3
79.05487	1.6
81.07052	2.6
83.08643	0.5
86.09706	48.9
91.05453	1.3
93.07040	2.7
95.08612	2.1
98.98463	4.9
104.10743	98.2
105.06987	0.8
105.11075	0.6
107.08576	0.9
121.10135	0.9
125.00007	28.4
163.01543	1.3
184.07341	100.0
185.07712	0.8
213.87010	0.5
246.78423	0.5
258.11075	1.1
335.25891	0.9
338.98828	0.5
396.08029	0.5
500.31390	7.5
518.32458	22.6
519.33313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39762	0.3
53.52235	0.3
55.05504	0.3
56.05020	0.5
58.06599	0.5
60.07887	0.4
60.08166	6.0
63.57386	0.3
66.70220	0.3
67.05496	0.6
67.60859	0.3
70.22018	1.0
71.07380	2.9
81.07037	0.4
86.09709	32.2
87.36413	0.3
93.06989	0.3
95.08607	0.3
98.21398	0.3
98.98470	3.3
104.10756	2.8
125.00010	23.6
125.28939	0.3
141.13864	0.3
154.78221	0.3
184.07346	100.0
185.07645	0.5
331.32016	0.3
375.32169	0.3
394.73785	0.3
396.37183	0.3
500.31198	1.0
518.32483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.4
57.07070	12.4
67.05495	42.3
69.03415	8.6
69.07062	26.6
71.08630	6.6
71.09078	6.2
71.09425	14.6
79.05490	30.8
81.07072	64.9
83.08617	34.8
91.05484	14.0
93.07052	51.6
95.08047	10.8
95.08613	100.0
97.10150	9.7
97.11155	6.4
98.21520	6.0
105.07041	46.4
107.08588	80.3
109.10155	82.4
119.08556	40.5
121.10133	40.4
122.10450	7.5
123.11701	28.1
127.11196	6.4
131.08549	27.0
133.10184	38.0
135.08104	7.6
135.11691	31.4
137.13246	22.0
140.19441	6.4
145.10143	24.0
147.08084	9.6
147.11682	29.5
149.09628	18.4
149.13235	17.6
153.09091	10.1
153.12746	18.4
157.10129	10.4
159.11688	23.0
161.09613	10.3
161.13260	21.2
163.11179	8.0
163.14813	18.5
165.05527	6.3
167.10770	7.0
171.11575	7.4
173.13237	19.1
175.11130	10.6
175.14813	16.3
177.16396	9.9
181.12207	7.4
185.13324	8.2
187.11224	6.6
187.14824	21.7
189.16441	11.9
205.15884	20.9
217.19505	18.0
223.16920	22.9
230.44240	7.1
233.15298	11.9
261.22031	10.5
286.73520	7.3
329.24799	6.8
378.23264	7.7
384.00662	7.3
397.31323	7.1
453.37210	25.3
465.37149	14.9
471.38214	8.1
483.38123	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	519.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04422	0.6
60.55370	0.5
65.03940	0.8
69.03410	2.0
69.07056	0.9
70.06594	15.0
70.58896	1.8
71.06907	2.8
79.05485	1.6
80.69601	0.7
81.03412	1.9
81.07049	0.8
84.08121	0.9
85.02895	1.6
85.06522	0.7
89.03912	1.0
91.05450	1.6
93.07030	2.0
94.06543	1.6
95.07368	1.5
95.08619	0.8
96.08114	2.7
97.02889	1.4
101.79696	0.6
103.05475	1.1
105.07036	1.6
107.04940	2.7
108.08125	2.9
109.10124	0.7
110.09694	3.8
115.05468	0.7
116.05013	5.1
117.26986	0.7
119.08543	0.7
120.08111	3.8
122.06046	3.2
123.11698	0.7
127.03935	0.7
129.10286	0.7
129.85173	0.6
131.04874	1.1
136.07587	4.4
137.06003	3.8
138.09123	5.2
144.04443	13.1
144.05557	0.5
146.06021	1.6
147.04369	0.7
148.03908	1.3
148.07599	1.9
159.08002	0.9
161.04732	0.7
161.05977	2.6
162.05547	3.6
163.07536	0.8
166.08649	10.3
172.03938	55.7
174.05489	1.0
175.07518	2.1
187.07523	1.6
190.04987	10.7
199.07622	1.0
204.06564	100.0
205.06821	1.3
218.48473	0.6
265.08466	0.9
279.11053	0.6
297.11569	1.1
306.09106	0.8
315.12106	0.7
316.07919	0.9
321.11304	0.8
325.11655	1.3
329.15060	1.4
334.09207	2.1
335.13022	0.9
339.13397	2.1
343.12772	0.9
357.14450	11.5
357.18820	1.5
427.15640	0.7
479.54843	0.7
487.17050	2.4
501.18777	1.3
519.19794	2.1
519.29700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
65.03960	1.3
66.04700	1.7
67.05500	4.0
69.03426	3.4
69.07069	1.8
69.29996	12.0
70.06586	1.8
71.04974	1.5
79.05480	6.6
81.03414	1.9
81.07050	5.8
85.02932	2.6
91.05487	7.7
93.07048	6.3
94.04164	5.0
95.04968	5.9
95.08604	5.4
97.06512	2.2
102.21872	1.4
103.05456	3.9
105.07034	14.8
107.04971	17.1
107.08564	3.9
109.06534	3.7
109.10162	3.3
111.04456	1.6
113.22327	1.4
115.05440	3.6
115.19690	1.2
116.36167	1.5
117.07009	1.6
119.08553	4.6
121.06505	2.2
121.10154	3.3
122.03620	7.5
128.06201	2.2
129.07013	5.0
131.04926	5.3
131.08548	2.9
132.05762	1.3
133.06491	7.8
135.11700	1.7
137.05986	100.0
143.05959	1.6
144.05714	1.5
145.06436	3.2
147.04378	1.6
147.08043	4.9
147.11710	2.0
149.05946	2.8
149.09535	1.5
151.07536	2.7
155.04860	1.7
156.05696	2.1
159.08058	5.5
160.05139	2.0
161.06009	18.5
162.65930	1.5
163.82178	1.3
165.07025	3.3
167.07028	2.5
167.08553	1.7
169.06366	1.9
172.03920	2.9
172.05229	3.6
175.07550	23.1
177.06898	1.7
179.07040	2.5
179.08498	2.9
184.05194	1.8
187.07550	21.6
189.35991	1.4
193.06448	1.9
194.07281	5.7
199.07553	15.5
202.07762	2.2
204.06560	6.0
205.06412	3.6
211.07481	2.3
215.08588	1.9
217.08673	1.6
218.07213	2.7
219.08060	2.5
221.06061	1.7
221.09526	1.7
222.06766	4.6
223.07458	2.2
225.09181	2.1
231.07936	2.7
232.08849	2.0
233.09634	2.8
234.06885	1.9
235.07619	2.8
237.05217	1.6
237.09039	7.5
243.08012	2.3
247.07341	2.2
249.09041	3.6
253.08575	3.4
254.09450	2.0
260.08316	1.8
261.09167	2.5
265.08551	13.9
267.10153	2.0
271.10101	2.1
273.08856	2.5
274.06354	1.7
275.10654	2.0
276.07932	1.9
277.08694	4.6
278.09418	1.9
279.66702	1.5
285.11273	10.4
289.08478	3.3
291.10056	3.0
293.11740	2.3
295.09634	2.1
297.11240	22.6
301.08353	1.8
303.10226	4.0
309.11072	5.7
310.12006	1.9
315.12589	2.9
321.11191	6.6
321.24371	2.7
323.12729	4.2
335.12979	8.9
396.13330	2.3
411.15823	3.3
439.15320	6.6
451.15607	2.4
459.18259	7.4
471.18027	9.4
489.18677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07722	2.5
53.03950	3.5
54.45491	2.3
55.05504	9.2
57.03437	3.8
57.07083	3.2
59.04983	2.8
61.02914	2.6
67.05503	13.5
69.03431	36.6
69.07069	44.3
70.06602	4.6
70.14079	10.2
71.04987	10.9
78.36324	2.5
79.05505	12.7
81.03421	5.6
81.07058	48.8
83.04979	7.2
83.08619	3.6
83.66242	2.5
85.02916	10.0
85.06550	37.0
91.05462	17.8
93.07044	39.2
95.04979	33.3
95.08617	37.6
97.02899	4.2
97.06521	22.3
97.10189	3.2
99.04438	4.4
99.08060	5.7
101.06013	4.5
103.05507	3.0
105.07031	31.1
107.04968	19.4
107.08602	34.7
108.08147	2.9
109.02849	3.4
109.06513	7.0
109.10172	21.3
111.08092	4.1
111.11718	12.2
119.08595	22.1
121.02973	3.0
121.06506	5.3
121.10146	37.1
123.08079	16.2
123.11732	10.6
125.09651	6.5
125.32805	2.4
127.03951	2.9
127.11143	3.0
129.07036	3.5
131.08580	8.1
133.10149	29.4
135.08032	4.1
135.11691	7.4
136.07623	4.2
137.05980	9.3
137.09589	13.7
139.11185	31.4
142.07806	3.8
143.08614	8.0
144.04442	2.8
145.10095	13.5
147.11665	17.0
149.09612	5.8
149.13264	8.8
151.11192	17.7
153.05446	2.9
153.12758	4.1
155.10643	3.3
157.10138	13.5
159.08018	4.8
159.11694	10.9
161.09660	4.3
163.11208	4.0
166.08669	5.9
167.10785	2.9
169.12317	2.7
171.11652	4.5
172.03951	19.0
173.13297	9.2
175.07533	3.2
175.11168	3.0
175.14871	6.7
183.13968	3.3
187.14883	3.2
189.12759	3.1
189.16374	12.2
190.04982	3.4
191.14308	6.4
193.15674	2.9
199.14838	11.0
204.06584	31.5
215.17917	2.4
217.15887	13.0
219.17522	2.8
223.16882	3.4
231.08049	2.8
235.16933	100.0
253.18039	17.6
281.85889	2.8
285.22305	5.5
291.23199	7.1
303.23187	15.8
321.24304	12.1
325.11520	3.1
339.25223	5.7
357.14362	4.4
449.67474	2.6
519.21503	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16092	3.2
53.03945	6.7
55.05509	55.9
57.03424	8.1
57.07075	39.1
61.02927	7.3
67.05506	70.4
69.03432	4.3
69.07066	76.5
69.74203	18.6
71.04995	3.6
71.08629	16.0
73.02925	4.3
79.05492	37.7
81.03408	9.6
81.07054	78.7
81.07523	5.5
83.04952	6.2
83.08617	58.7
85.02911	6.3
85.10191	8.8
91.05479	11.6
93.07047	40.5
95.02850	3.7
95.04958	4.8
95.08609	82.4
97.06522	14.4
97.10157	31.7
99.08097	4.9
105.07016	7.0
107.04933	6.1
107.08584	28.2
109.10149	38.7
111.08086	10.8
111.11736	11.6
121.10142	61.7
122.33089	3.4
123.11691	13.3
125.09624	6.7
125.13248	3.4
126.02090	4.1
131.08556	5.6
133.10110	6.6
135.11668	51.2
137.06015	6.2
137.13269	5.3
139.11069	4.0
149.13254	16.9
151.14845	4.9
153.12839	4.6
157.10069	4.0
158.18730	3.5
159.11632	4.1
163.14806	7.5
165.16396	4.4
167.05534	4.0
193.12224	8.9
247.24213	48.7
265.25266	95.6
283.26349	8.3
299.06293	4.6
317.13507	3.8
339.28952	100.0
357.29712	4.1
412.83548	3.5
501.34317	5.1
519.40271	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	519.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.9
55.05497	44.5
57.03426	12.9
57.07057	41.4
57.07314	9.7
67.05502	80.0
69.07069	94.1
69.68132	39.0
69.68539	15.5
71.08625	12.7
73.04745	13.6
79.05490	45.4
81.07069	74.5
83.08624	50.3
85.02905	11.4
91.05434	16.4
93.07047	46.9
95.04971	11.0
95.08613	57.5
95.13175	11.1
97.02911	13.0
97.06473	11.5
97.10152	29.1
97.24019	10.9
105.07030	25.7
107.08578	35.3
109.10156	48.5
111.11751	13.6
121.10162	68.4
123.11682	15.0
132.85172	10.8
135.11691	53.1
147.11679	15.4
149.13240	21.1
155.08585	10.6
167.05475	15.3
184.07333	22.6
247.24187	44.2
263.72995	9.1
265.25208	100.0
267.52176	10.3
296.26761	9.2
299.06110	17.2
317.22455	10.2
339.28964	89.4
347.25604	9.5
501.34067	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	520.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45158	0.6
53.03938	2.0
55.05273	0.8
55.05517	8.4
57.03440	8.1
57.07059	1.0
60.04522	1.0
60.08170	3.0
65.03933	1.2
65.66777	0.6
67.05507	34.3
69.07063	8.5
69.19175	5.3
69.19588	1.1
70.02947	0.9
71.07360	0.8
79.05495	16.3
80.05839	0.8
81.07060	26.3
83.04991	0.7
83.08618	3.0
86.09235	0.9
86.09715	12.3
87.10034	3.4
88.04008	6.0
91.05475	7.7
93.06492	1.1
93.07050	17.4
93.07634	1.0
95.04974	0.9
95.08608	21.3
97.06532	1.4
97.10163	0.9
98.98470	8.0
105.07021	5.4
106.05029	0.9
107.04951	0.7
107.08588	7.7
109.10165	6.8
109.43049	0.6
117.07023	1.1
118.56495	0.7
119.08578	3.0
121.10154	6.3
123.11697	2.3
124.99989	7.7
126.00316	1.3
127.00447	1.5
131.08588	2.1
133.10121	2.7
135.11719	3.8
145.10083	1.9
147.11685	1.1
149.13268	1.4
159.11676	1.5
161.13272	1.2
173.02164	1.4
173.13298	0.9
184.07341	26.1
185.07710	11.1
186.07802	7.0
261.22128	1.5
335.25806	100.0
336.26044	2.0
348.25406	2.2
520.32751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88794	1.8
53.03948	2.0
55.05509	6.6
57.07068	1.9
59.04992	1.9
61.45123	1.9
67.05515	8.7
69.03416	5.0
69.07072	10.8
69.27211	12.9
70.06591	4.2
71.04996	28.5
73.06547	4.5
79.05510	11.5
81.03409	1.8
81.07056	26.1
83.08611	5.3
85.02907	9.5
85.06513	4.6
86.09700	2.3
87.00832	4.4
89.90459	1.8
91.05473	10.6
91.75208	1.6
93.07050	25.8
94.01962	1.3
95.04944	2.2
95.08614	37.3
97.02903	3.7
97.06518	3.9
99.08088	5.7
105.01860	6.9
105.07036	33.3
107.04954	6.0
107.08598	26.1
109.02866	3.2
109.06499	2.4
109.10149	17.1
111.08070	2.0
117.07032	2.5
119.08604	10.4
120.07979	1.5
121.06532	1.7
121.10131	16.6
123.04490	2.3
123.11726	8.8
125.09630	22.6
127.03907	5.3
127.07555	3.8
127.11218	3.5
131.08554	6.2
133.10133	54.9
134.10466	2.2
135.11716	2.9
137.09596	1.6
143.10690	33.5
145.04907	1.9
145.10132	9.2
147.11691	15.6
149.13277	28.2
151.11250	2.4
159.11658	10.1
161.13264	5.3
164.20728	1.9
165.12813	1.8
167.14320	100.0
169.12190	2.2
173.13304	2.9
184.11198	1.7
191.17970	1.7
201.16470	10.3
203.17932	2.5
212.58458	1.7
219.17468	40.4
231.04951	2.0
237.18472	6.3
244.15341	2.0
406.39871	1.9
411.43750	1.6
444.35107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.05030	1.2
58.06602	1.4
60.08169	15.6
66.40958	0.3
67.05510	3.9
69.07072	1.4
70.28175	0.8
71.07383	6.2
79.05504	1.1
81.07061	3.2
81.75912	0.3
83.08615	0.7
86.09711	48.5
91.05494	0.9
93.07043	1.0
95.08610	2.9
98.98481	3.8
104.01600	0.4
104.10751	90.2
105.11079	0.5
107.08557	0.7
109.10188	0.7
125.00014	27.0
135.28708	0.3
149.13263	0.4
163.01556	0.7
175.14780	0.4
184.07353	100.0
185.07681	0.4
224.13582	0.3
231.21162	0.7
249.21989	0.4
258.11063	1.1
294.80664	0.3
323.25656	0.6
337.27493	0.6
502.32932	7.7
520.34045	20.4
521.34442	0.6
536.46143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
58.06599	0.6
60.08166	7.6
62.32754	0.2
67.05510	0.4
69.72288	1.2
69.72692	0.5
71.07368	3.6
81.07032	0.6
86.09707	34.7
95.08614	0.5
98.98466	4.1
104.10754	3.5
107.06411	0.3
125.00011	26.2
144.08508	0.3
184.07343	100.0
185.07544	0.3
249.07895	0.3
360.52246	0.3
415.08829	0.3
502.32947	1.1
520.34125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05513	6.9
56.04802	0.3
56.05042	4.5
56.05299	0.6
57.06837	0.3
57.07079	3.9
58.06578	0.9
60.04268	0.3
60.04525	3.7
65.03919	1.1
67.04236	0.6
67.05505	15.2
68.05038	1.7
69.07066	8.7
70.06588	2.2
71.08627	1.6
71.48861	0.4
72.04524	0.4
77.03905	0.4
79.05495	12.0
80.05016	3.5
81.05798	2.1
81.07056	12.8
82.06579	8.4
83.04984	0.4
83.08617	5.2
84.08134	0.8
85.10176	0.5
86.06064	0.5
91.05482	11.0
93.05767	0.6
93.07047	11.2
94.06567	20.8
95.04954	1.5
95.07352	10.6
95.08605	9.6
95.40419	0.3
96.07563	0.5
96.08131	5.8
97.06525	0.7
97.10172	3.0
98.06042	0.7
100.07587	0.7
105.04524	0.6
105.06317	0.3
105.07035	6.9
106.06572	0.4
107.08589	6.7
108.08124	3.8
109.10155	3.5
110.09674	0.4
111.11709	0.9
111.91077	0.3
117.06976	0.7
119.08583	6.7
120.08113	0.4
121.08878	0.8
121.10149	6.5
122.09680	3.0
122.97248	0.3
123.11707	1.5
124.11224	0.5
131.08617	0.3
133.00697	0.3
133.10139	5.0
134.09560	0.4
134.40012	0.3
135.10530	0.6
135.11673	4.1
135.38583	0.2
136.11191	0.8
137.13315	1.4
147.11713	2.2
147.12740	0.4
149.13232	1.3
161.13255	1.0
163.14818	0.5
175.14815	0.6
177.16393	1.0
177.55099	0.3
179.17973	0.6
205.19522	1.0
207.21236	0.3
219.21095	5.2
220.20636	0.6
231.21082	4.5
233.22728	0.6
234.22177	1.0
236.23727	10.6
245.22574	0.6
246.22092	0.4
248.23735	100.0
249.21983	0.6
249.24159	0.8
250.25159	1.3
254.24847	1.3
258.24240	0.6
260.23590	0.3
262.25299	12.2
266.24796	11.6
272.25848	4.8
280.26349	1.2
314.26968	0.4
348.29019	0.3
368.58273	0.3
474.46790	0.3
490.46216	3.1
502.46167	8.0
520.40082	0.4
520.47351	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1295
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.79872	0.3
51.03639	0.3
53.03955	3.4
55.01870	0.5
57.03426	0.9
61.02923	0.9
69.03091	0.5
69.03434	8.6
69.07072	0.9
69.20962	0.3
70.06584	0.8
71.04999	0.5
73.02930	0.9
79.05486	0.5
81.03422	13.0
81.07038	0.8
85.02910	5.9
86.09698	0.9
91.05489	0.8
92.02623	0.7
93.03399	1.0
93.07061	0.7
95.08583	0.4
97.02892	5.4
99.04443	2.2
103.05501	0.3
107.04945	2.4
107.08600	0.4
109.02882	8.0
119.04967	0.7
119.08591	0.4
120.08103	0.3
121.02887	1.1
121.10172	0.6
123.11700	0.4
127.03923	6.7
131.04918	1.3
133.04922	0.4
137.06012	0.9
139.03989	0.7
145.04950	1.1
151.03940	1.1
153.01843	7.0
159.04442	0.7
165.01843	0.6
177.05455	0.5
187.06032	6.5
201.05444	0.5
213.09013	0.5
217.04977	0.7
218.05766	0.6
228.04204	1.4
229.04973	3.0
231.02885	0.6
243.79417	0.3
244.15533	0.4
245.04494	1.5
246.05258	1.6
257.04535	2.7
265.08463	0.5
273.04010	1.9
274.04764	4.0
284.03217	0.4
285.03934	4.2
301.03354	0.4
302.04245	11.4
303.04459	0.3
317.06573	100.0
318.06903	2.3
359.12659	0.6
425.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
69.03439	1.0
69.07056	1.2
70.06587	6.8
71.06926	0.7
71.48164	1.3
71.48526	0.8
72.08153	1.9
77.03925	0.8
79.05465	0.8
81.03420	1.2
81.07069	2.5
84.04477	1.3
84.08134	3.4
85.02910	2.8
85.06534	1.6
86.06071	1.1
86.09705	3.5
87.14629	0.7
91.05482	2.4
93.07071	1.0
95.04986	1.0
95.08607	0.8
96.37561	0.7
97.02927	0.8
97.06564	1.0
103.05471	56.2
105.07038	2.8
105.57132	0.7
107.04980	4.2
107.08577	1.0
109.10146	1.2
112.07652	1.1
116.10743	0.8
119.04965	1.1
119.08566	1.1
120.08105	3.8
121.10136	1.6
123.11699	2.5
129.10237	2.9
131.04935	100.0
132.05284	0.9
137.05977	11.9
141.12714	1.2
147.04390	1.9
151.07558	0.9
161.05988	2.3
163.07553	28.2
171.30595	0.7
173.13264	0.7
175.07516	1.6
179.07097	1.3
184.35381	0.7
187.07553	1.3
201.91919	0.7
213.16679	0.8
303.84247	0.7
305.24725	1.5
311.12659	1.1
521.20020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	0.7
56.05029	0.6
66.64968	0.4
69.03432	0.6
69.85403	1.8
70.06584	1.8
72.08168	0.4
77.03922	0.7
81.07070	0.5
84.04504	3.8
84.08143	1.3
85.02905	0.8
86.09705	1.9
88.04818	0.4
91.05476	1.4
94.97511	0.4
95.04960	1.2
97.02869	0.7
98.20847	0.8
100.29976	0.4
101.07162	3.1
102.74886	0.4
103.05470	54.4
104.05792	0.6
105.07039	4.3
107.04961	1.3
115.05414	0.9
118.03214	0.7
119.04946	1.0
120.08118	5.5
129.10240	1.0
129.70485	0.4
131.04932	100.0
132.05296	0.6
133.06512	3.0
137.05998	2.5
140.01616	0.6
147.04424	1.3
147.05869	2.6
161.05972	8.2
163.03888	0.7
163.07550	29.4
175.07523	0.8
179.07066	0.6
181.64012	0.4
187.07568	0.6
197.12914	1.3
243.01166	0.4
277.12143	0.5
291.09915	0.5
311.12787	0.9
333.15689	2.9
391.11032	1.3
503.15787	0.6
521.19727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03939	1.1
53.14737	0.4
69.03415	0.6
69.38346	2.8
69.44113	0.3
70.06585	1.9
72.08173	0.4
72.76711	0.3
77.03925	0.4
79.05499	0.6
84.04498	0.5
84.08141	0.8
85.02897	1.2
86.09687	0.8
91.05494	0.6
95.04030	0.4
95.04961	0.4
98.21515	0.5
102.04735	0.4
103.05474	54.9
104.05808	0.4
105.07043	3.4
107.04951	1.3
115.05463	0.9
116.07163	0.3
118.03187	0.5
119.04942	0.9
120.08121	0.6
130.03166	0.3
131.04936	100.0
132.05280	1.3
133.06500	3.3
136.07596	0.5
137.05991	3.8
147.04417	1.1
147.05833	0.8
161.05989	8.7
163.07552	25.2
175.07562	1.2
179.06995	0.6
187.07549	1.3
244.03322	0.4
251.51424	0.4
279.10196	0.4
294.72559	0.3
311.12726	0.7
318.66592	0.4
352.84558	0.3
391.11145	0.4
542.30438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38266	7.2
55.01872	10.0
55.05519	15.8
57.07071	9.5
59.27052	7.4
60.56531	9.2
67.05499	22.2
69.03455	10.2
69.07073	39.6
69.77499	46.2
69.77821	7.8
70.06593	20.1
71.04990	28.2
72.08163	8.9
73.02919	7.5
79.05497	25.8
81.07056	84.3
83.08635	10.8
85.02910	14.6
85.06551	14.9
86.09704	45.4
91.05454	14.7
93.07060	41.4
95.04986	14.7
95.08595	49.7
97.02903	12.6
97.06503	12.4
102.10551	8.7
105.07034	30.7
107.04964	27.2
107.08606	35.1
109.10176	47.8
111.08075	45.5
119.08602	12.3
119.66782	8.2
121.10169	35.2
123.11739	47.2
125.09694	9.2
131.04987	9.2
135.11699	22.1
136.07501	10.2
137.06062	12.3
137.13254	16.5
145.10147	17.1
147.11703	20.4
151.11185	10.4
153.12807	21.1
169.12207	9.5
235.20538	10.5
237.08984	8.3
256.22739	15.6
273.87418	7.2
287.23727	25.1
293.24826	20.9
305.24719	100.0
307.00647	8.3
323.25830	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	522.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46822	1.3
54.64478	1.4
55.01867	1.3
55.05516	16.0
57.03438	8.6
57.07088	1.5
60.04532	23.4
65.03916	1.9
66.91498	1.3
67.05510	43.4
67.95476	1.1
69.07076	21.8
70.02969	6.6
71.05011	1.8
79.05503	13.0
81.06593	2.6
81.07063	44.9
83.08620	9.1
86.09685	2.1
88.03996	79.8
91.05464	8.8
92.05891	1.5
93.07047	14.8
95.05009	2.0
95.08614	30.4
97.06555	2.1
97.10169	4.1
98.98476	48.1
105.07048	6.4
106.05042	38.5
107.08601	8.7
109.10159	11.2
115.78566	1.9
116.90484	1.3
119.08591	5.2
121.10165	7.8
122.00074	1.7
123.11697	5.6
133.10135	4.9
135.11699	3.6
145.10167	1.5
147.11671	4.0
149.02379	2.0
149.13231	3.0
151.14769	2.6
153.12691	1.9
155.01065	25.8
161.13263	2.1
165.16328	1.8
173.02124	8.9
175.14865	2.0
186.01747	1.2
193.04922	3.1
194.08911	1.2
229.30733	2.0
245.22659	5.6
260.05405	1.6
263.23737	17.3
319.26169	1.8
337.27380	100.0
338.27777	3.9
350.26907	9.3
436.12814	1.4
463.14841	1.5
522.16077	4.9
522.37946	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	522.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05518	12.5
57.03442	7.3
57.07064	1.4
60.04530	1.1
67.05511	23.8
69.07073	15.8
69.70852	1.4
69.71261	2.3
79.05499	6.4
81.06593	1.3
81.07065	24.2
83.04960	0.9
83.08618	6.5
86.09706	0.8
88.03981	5.3
91.05483	3.6
92.76586	0.6
93.07050	6.3
95.08615	16.4
95.69682	0.8
97.06506	1.2
97.10166	3.0
98.98474	5.1
105.07012	3.6
106.05005	1.5
107.08617	3.8
109.10171	6.0
111.11711	1.1
119.08596	2.5
121.10143	2.7
123.11700	2.4
127.23327	0.9
133.10147	2.4
135.11696	1.4
137.13249	1.2
139.49535	0.8
147.11685	1.7
149.13269	1.2
159.80972	0.7
161.13396	0.9
163.14864	1.2
173.02142	1.3
175.14798	0.9
184.07353	2.2
186.07840	1.0
263.23666	1.6
304.89008	0.7
336.46204	0.8
337.27390	100.0
338.27679	2.0
350.27036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22884	2.3
55.01862	2.1
55.05511	7.5
56.05039	4.5
57.03443	14.5
59.04986	2.6
61.02932	4.6
63.09227	2.0
65.03916	2.2
66.67727	2.1
67.05506	5.0
69.03437	11.7
69.07053	5.9
69.87058	4.6
69.87474	7.5
70.06599	13.4
71.01348	3.2
72.07810	3.0
72.08161	30.9
73.02919	20.2
79.05482	4.3
81.07059	8.8
83.04998	3.0
84.04514	5.9
84.08144	72.1
85.02905	31.6
85.06548	3.5
86.09704	10.4
87.04497	3.8
91.05481	7.7
93.07031	5.6
95.04943	4.2
95.08603	9.3
97.02892	5.6
97.06506	3.5
99.04486	3.7
102.05521	2.3
103.03877	2.2
103.05453	11.6
105.07034	10.5
107.04939	10.4
107.08597	12.6
107.41044	2.5
109.02880	2.7
109.06556	4.7
109.10165	4.8
111.04467	5.0
114.09176	8.6
115.03934	7.9
115.05482	2.5
117.07032	2.4
119.08595	22.2
120.08106	81.6
121.06541	2.8
121.10134	18.2
123.08098	2.1
123.11710	3.1
125.06042	3.5
129.05476	8.4
129.10246	100.0
131.04951	16.7
131.08562	7.1
132.05299	5.7
133.04985	3.4
133.10127	20.8
135.11621	3.4
136.07571	2.3
137.06009	3.6
137.09645	3.2
143.07027	2.3
143.08647	3.1
145.10100	10.0
147.06544	8.3
147.11703	16.6
149.09650	4.7
155.08585	2.8
157.10190	4.4
159.06609	2.7
159.08110	2.7
159.11690	7.1
161.09610	3.3
161.13274	2.4
163.07539	4.8
165.12819	3.1
169.09996	2.2
169.13519	2.1
171.11646	6.7
173.13293	16.6
175.11264	2.9
175.14841	39.5
178.20267	2.3
185.13185	6.6
187.11264	3.5
187.14813	13.8
189.16307	2.7
191.14310	3.7
193.15935	12.8
199.14836	4.3
201.12659	3.2
211.14742	3.0
215.14384	2.6
217.15862	6.1
228.10159	9.7
229.15926	3.3
234.14497	11.2
235.16870	3.1
253.15932	4.5
259.16907	3.6
269.52118	2.4
271.16998	11.9
276.17068	19.5
287.05386	2.5
289.18042	21.9
307.19034	34.9
324.72794	2.6
325.20099	7.5
381.21054	4.0
474.17584	2.8
522.21838	4.4
522.29169	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05031	0.7
57.67518	0.2
58.06605	0.3
60.08165	6.2
66.82223	0.3
67.05482	0.3
67.65517	0.3
69.31950	2.2
71.07374	3.1
84.23736	0.2
86.09707	29.5
95.08602	0.3
95.75153	0.3
96.17929	0.2
98.21557	0.6
98.98472	3.6
100.96386	0.3
104.10756	2.7
125.00005	20.2
166.06116	0.3
184.07341	100.0
185.07716	0.6
339.29068	0.4
425.14517	0.3
466.37488	0.3
504.34497	1.1
522.35364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12999	0.6
55.05500	2.4
56.05039	1.1
57.03429	0.6
57.07063	1.2
58.06594	1.0
60.07892	0.9
60.08167	14.9
67.05492	2.4
69.07069	3.0
69.84415	2.3
69.84830	1.3
71.07369	6.4
74.61806	0.6
76.25894	0.5
79.05492	1.6
81.07042	3.3
83.08604	1.7
83.39241	0.6
86.09708	44.5
87.52367	0.7
93.07046	2.0
95.08605	2.5
97.10149	1.3
98.21492	1.1
98.98485	3.9
104.10745	79.7
107.08588	1.5
108.91419	0.7
109.10155	1.7
113.98363	0.5
121.10141	1.7
123.11760	0.8
125.00013	24.9
135.11702	2.1
145.24316	0.6
173.13324	0.6
184.07344	100.0
233.22729	1.9
251.23726	1.7
258.11060	1.2
325.27420	2.7
504.34409	8.5
522.35602	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	523.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01865	1.1
55.05512	4.8
57.03439	0.8
61.02965	0.5
65.03934	1.4
67.05508	23.5
69.03434	5.8
69.07047	0.6
70.68217	1.1
70.68620	1.1
71.04989	0.8
73.02941	1.0
79.05492	1.6
81.03419	6.0
81.07052	2.4
81.27852	0.6
85.02910	7.8
85.06560	0.8
87.00853	3.0
91.05480	2.7
93.07038	6.2
95.04968	1.2
95.08611	100.0
96.08939	0.7
97.02890	4.0
97.06567	1.0
99.04456	2.0
103.05482	1.3
105.01870	2.4
105.07027	2.5
107.04955	8.2
107.08616	0.9
109.02891	5.7
109.06513	1.5
109.10152	1.2
119.04928	0.7
119.08578	2.1
120.38000	0.6
121.06503	0.9
121.10158	1.1
127.03922	6.7
129.01816	1.1
129.07053	0.7
131.04915	3.2
131.08527	0.9
133.10143	1.3
135.08061	0.7
137.05986	2.1
143.08548	0.7
145.04970	1.6
145.06482	0.9
145.10098	1.5
147.11694	1.1
151.07521	0.6
157.10089	0.5
159.02911	2.6
159.08177	0.6
161.09584	0.7
165.09103	0.8
167.07060	0.6
168.51817	0.6
179.04855	0.7
181.06490	0.9
189.12781	1.4
197.13254	0.6
213.09283	0.6
231.04854	1.1
257.19012	8.5
317.08121	1.6
318.08902	1.8
329.07990	0.8
338.75662	0.5
345.07623	1.1
346.08356	53.0
347.08640	1.0
361.10693	53.3
362.11041	1.5
394.40912	0.6
410.55511	0.6
469.23386	0.6
523.16040	53.2
523.24860	4.8
524.16333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01865	1.1
55.05512	4.8
57.03439	0.8
61.02965	0.5
65.03934	1.4
67.05508	23.5
69.03434	5.8
69.07047	0.6
70.68217	1.1
70.68620	1.1
71.04989	0.8
73.02941	1.0
79.05492	1.6
81.03419	6.0
81.07052	2.4
81.27852	0.6
85.02910	7.8
85.06560	0.8
87.00853	3.0
91.05480	2.7
93.07038	6.2
95.04968	1.2
95.08611	100.0
96.08939	0.7
97.02890	4.0
97.06567	1.0
99.04456	2.0
103.05482	1.3
105.01870	2.4
105.07027	2.5
107.04955	8.2
107.08616	0.9
109.02891	5.7
109.06513	1.5
109.10152	1.2
119.04928	0.7
119.08578	2.1
120.38000	0.6
121.06503	0.9
121.10158	1.1
127.03922	6.7
129.01816	1.1
129.07053	0.7
131.04915	3.2
131.08527	0.9
133.10143	1.3
135.08061	0.7
137.05986	2.1
143.08548	0.7
145.04970	1.6
145.06482	0.9
145.10098	1.5
147.11694	1.1
151.07521	0.6
157.10089	0.5
159.02911	2.6
159.08177	0.6
161.09584	0.7
165.09103	0.8
167.07060	0.6
168.51817	0.6
179.04855	0.7
181.06490	0.9
189.12781	1.4
197.13254	0.6
213.09283	0.6
231.04854	1.1
257.19012	8.5
317.08121	1.6
318.08902	1.8
329.07990	0.8
338.75662	0.5
345.07623	1.1
346.08356	53.0
347.08640	1.0
361.10693	53.3
362.11041	1.5
394.40912	0.6
410.55511	0.6
469.23386	0.6
523.16040	53.2
523.24860	4.8
524.16333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	7.2
55.05509	14.7
56.26831	5.9
57.07077	10.6
58.54166	5.6
67.05511	42.5
69.03424	11.8
69.07079	36.6
69.35783	39.2
69.36199	12.7
71.04991	8.7
79.05489	23.7
80.60769	5.1
81.03415	7.3
81.06605	6.8
81.07066	100.0
83.04993	10.5
83.08625	16.6
85.02903	15.7
85.06512	8.8
86.09702	10.5
91.05465	18.7
93.07048	48.5
95.04957	13.1
95.08081	6.0
95.08621	91.5
97.10146	8.2
98.21481	13.0
99.08123	5.2
103.05430	6.5
103.73412	5.7
104.24200	6.0
105.07036	30.2
107.04969	26.8
107.08601	37.4
109.06557	7.5
109.10161	42.9
111.08103	7.1
113.06011	7.5
119.08590	28.3
120.08078	5.5
121.10153	32.5
123.11699	37.0
125.09631	7.5
127.03865	9.9
131.04916	8.1
131.08562	11.6
131.39783	5.8
133.10149	22.0
135.11656	17.4
137.05937	6.2
137.13283	16.4
145.10074	12.0
147.11670	10.3
149.13258	22.0
159.11708	9.9
161.13275	9.8
165.12807	6.0
167.14433	5.7
175.14763	8.3
175.89824	6.4
177.16370	10.3
197.12987	5.3
205.19516	6.2
215.17821	6.7
223.20609	6.9
271.24146	12.3
289.25259	18.8
302.58493	5.7
307.26273	18.5
325.27399	10.6
361.10587	18.2
394.90796	7.2
463.37225	6.6
523.28735	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.4
55.05514	10.3
55.93191	2.9
57.07079	7.0
63.99625	2.8
67.05510	24.7
69.03436	4.0
69.07072	30.1
69.40004	21.0
71.04990	17.3
79.05509	14.8
79.20082	2.5
81.03340	2.4
81.07062	100.0
81.07533	6.3
83.08630	11.0
85.02911	10.4
85.06547	11.8
86.09704	5.6
91.03924	2.8
91.05486	11.1
92.02573	2.6
93.07043	39.0
95.04992	7.4
95.08613	91.2
97.06548	4.3
97.10194	4.9
97.50929	2.7
99.08120	3.8
105.07069	13.3
107.04955	17.0
107.08599	48.7
109.10160	42.9
111.08084	23.5
111.11749	6.2
119.08589	13.0
121.10159	18.7
123.11716	80.4
125.09653	4.1
127.11191	11.0
131.08565	3.9
133.10147	8.9
135.11717	20.7
137.13264	39.5
139.11203	6.7
141.12755	5.3
147.11714	13.9
149.13289	33.8
151.11223	6.8
153.12740	17.4
159.11703	8.1
161.13251	5.7
163.14812	5.5
165.12735	9.1
169.12192	5.7
171.13898	3.9
173.13286	4.0
173.16458	2.8
175.14842	3.3
177.16458	4.1
183.13838	5.3
189.16396	3.7
191.17906	6.3
201.14767	3.8
203.17975	11.3
215.18030	4.9
225.18491	4.3
237.18512	9.8
237.22112	4.7
255.10146	5.3
259.24155	4.2
271.24127	3.6
277.25348	21.6
289.25275	21.6
295.26331	11.8
304.67429	3.2
307.26337	52.8
325.27399	17.3
361.14276	7.8
476.50903	3.1
518.26294	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.7
66.00813	11.1
67.05513	28.9
69.07061	35.3
71.00655	10.8
71.92066	11.2
79.05497	24.7
81.07059	96.5
83.08601	11.3
85.02903	17.0
85.94379	11.6
91.05505	18.9
93.07040	36.7
95.08607	100.0
98.21513	35.1
105.07049	23.4
107.04955	79.6
107.08606	54.0
109.10141	47.7
111.11732	13.0
115.01315	12.6
119.08554	18.9
121.10129	24.3
123.11721	75.5
133.10159	22.6
135.11687	21.0
137.05948	15.7
137.13246	34.3
145.10091	27.3
147.11685	17.7
149.13275	42.6
175.14851	12.7
179.14285	12.1
187.98062	12.8
215.93254	12.3
229.32770	13.0
255.10236	22.0
267.10226	36.9
271.24466	16.8
307.26349	19.4
361.10629	32.3
361.14331	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67860	0.7
51.02369	1.2
53.03930	2.7
55.01879	1.8
55.05511	14.8
57.03434	5.5
57.07076	39.3
65.03941	1.4
67.05504	28.9
69.03421	1.7
69.07066	10.7
71.04978	2.7
71.08632	27.4
79.05071	1.2
79.05493	15.5
81.03416	35.1
81.07053	31.4
83.04981	5.2
83.08620	24.4
83.09119	1.1
85.02905	19.4
85.06535	2.0
85.10184	14.7
91.04913	1.0
91.05478	18.3
93.07042	12.2
95.04961	14.9
95.08603	29.4
97.02898	1.8
97.06527	2.4
97.10165	8.9
98.20759	2.5
99.08091	1.1
103.05464	1.0
105.07031	12.8
107.04964	3.2
107.08603	4.1
109.06528	3.6
109.10149	12.4
111.04436	1.5
111.08083	6.1
111.11712	1.0
113.06018	1.7
115.05450	1.4
117.07016	1.8
119.08579	12.1
121.06495	0.9
121.10129	7.4
123.08071	1.2
123.11690	6.1
125.09599	1.1
129.07005	8.3
131.04922	2.2
131.08531	8.0
132.05292	1.0
133.06522	2.2
133.10138	6.7
137.09644	1.6
137.13258	2.8
147.08051	1.4
147.11700	8.6
149.09613	4.9
151.14783	1.1
157.10129	8.2
165.12794	2.9
175.11192	12.6
183.13895	1.4
193.12239	42.9
196.65089	0.8
211.13283	46.5
229.19624	0.9
239.23692	6.9
258.11975	0.9
267.15900	7.0
285.16916	1.0
291.70709	0.8
302.24133	0.9
313.27368	10.2
376.68427	0.8
440.91769	0.8
505.38913	3.0
523.39960	100.0
524.40436	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	32.5
57.03439	27.6
57.07074	64.2
60.08153	19.5
67.05516	60.6
68.56632	10.8
69.07051	38.0
71.08601	34.7
79.05458	29.7
81.03428	91.7
81.07055	64.4
83.08614	45.1
85.10169	31.5
86.09703	35.7
91.05469	30.7
93.07029	37.1
95.04955	37.4
95.08601	59.0
95.54180	11.9
97.10173	26.7
98.20721	21.6
104.10175	10.1
104.10752	83.4
105.07028	34.5
106.90708	12.5
107.08553	20.7
109.06491	12.6
109.10155	19.8
119.08570	26.6
121.10144	13.1
125.00026	13.9
129.06964	15.6
131.08522	13.5
133.10152	21.2
143.09297	9.9
143.50931	9.1
147.11679	17.6
157.10127	17.7
175.11182	24.2
184.07365	72.2
193.12270	98.9
211.13251	18.4
267.15857	77.4
283.72141	11.2
313.27362	100.0
356.03430	11.3
505.38803	51.5
523.25031	26.6
523.39600	48.7
524.37042	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	524.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01870	0.3
57.03446	0.3
61.02950	0.4
67.05500	0.3
69.03425	1.1
69.07050	0.3
70.06577	0.5
70.21574	0.7
71.05001	0.2
74.00658	0.3
81.03396	0.4
81.07047	0.5
85.02908	2.8
87.04482	0.2
93.07001	0.3
95.08592	0.7
96.08880	0.2
97.02868	1.0
107.08569	0.2
109.02890	0.3
109.10162	0.3
117.81597	0.2
123.11680	0.4
127.03934	0.4
145.04884	0.4
161.94920	0.2
169.06459	0.3
179.18060	0.2
181.06551	0.3
182.07243	0.2
183.08090	0.9
184.08652	0.2
197.06015	2.0
198.06636	0.3
201.36594	0.2
202.04529	0.2
211.07527	2.4
212.08327	8.3
213.03635	1.7
213.08965	0.2
214.06294	0.2
225.05449	1.3
225.09061	0.2
227.05089	0.2
227.07066	0.5
229.08589	2.5
230.04030	0.7
239.06999	1.1
240.02452	0.3
240.07819	10.1
241.03157	1.1
241.08551	1.6
242.09349	1.8
245.06334	6.6
255.04874	0.2
256.05524	1.0
273.05801	100.0
274.06122	1.1
281.06259	0.3
299.07379	0.7
337.23016	0.2
345.07867	0.4
362.10580	12.8
363.10822	0.2
404.11621	0.4
488.13794	0.6
506.14938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
61.02894	0.8
69.03436	1.3
69.07060	0.4
69.19786	2.0
69.20204	0.7
70.06580	0.4
81.03423	0.5
81.07053	0.3
85.02903	2.7
85.06541	0.5
96.08141	0.3
97.02888	0.9
98.20673	0.4
107.04947	0.3
119.16435	0.2
123.11694	0.3
127.03879	0.4
143.43208	0.3
145.04955	0.3
167.88084	0.3
181.06641	0.3
183.08052	0.9
197.05896	1.2
211.07562	2.8
212.08316	8.4
213.03661	2.0
213.08836	0.4
217.06850	0.3
221.18932	0.3
225.05484	1.3
227.06989	0.6
229.08601	2.3
230.04005	0.6
239.07149	1.2
240.07808	10.2
241.03194	0.8
241.08530	1.5
242.09377	2.0
245.06325	7.0
253.08778	0.4
255.04657	0.3
256.05499	1.2
273.05792	100.0
274.05948	1.6
299.07465	0.6
316.09818	0.3
345.07846	0.7
362.10565	12.7
404.11380	0.4
536.93756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01864	0.8
55.05481	0.5
57.03411	1.0
58.78621	0.5
61.02914	1.0
63.94202	0.4
69.03429	3.3
70.06599	2.5
70.40944	1.4
72.08141	1.2
74.00664	0.8
81.03383	1.8
84.04499	0.8
84.08125	1.9
85.02909	17.1
86.09716	2.2
91.91498	0.5
97.02912	3.1
99.04424	0.9
101.07140	0.9
105.07095	0.5
107.04943	1.7
109.02873	2.5
110.06028	0.5
111.85915	0.4
120.01178	1.6
120.08073	1.3
124.07581	0.6
127.03935	3.1
129.10231	0.9
136.07547	1.0
145.04951	2.3
153.07042	0.7
157.06505	0.9
165.06995	1.2
166.08618	0.6
169.06464	1.7
170.07339	0.6
181.06519	4.1
182.07184	0.9
183.08093	2.3
184.08864	0.6
191.72987	0.5
195.02731	0.5
195.08147	0.9
197.04147	0.8
197.05959	14.3
198.06720	1.3
199.07516	3.2
208.05222	1.7
209.05934	1.3
210.06813	0.7
211.07513	4.4
212.08322	8.4
213.03670	1.5
213.09097	6.6
217.06816	1.4
225.05481	7.0
227.05444	1.5
227.07040	35.1
239.06995	5.6
240.07814	100.0
241.03195	5.4
241.08522	8.3
242.09380	9.6
245.06282	5.2
255.04774	1.4
256.05704	0.7
258.03461	1.1
273.05801	96.7
274.06235	0.9
362.10559	3.5
362.14728	0.7
416.55548	0.5
435.11203	9.1
524.15155	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	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05504	0.3
56.05046	1.4
56.05287	0.3
57.03432	0.6
57.07078	3.1
58.06575	1.5
59.07376	0.3
60.08166	17.9
67.05499	0.9
69.07062	0.5
69.45578	1.4
70.06552	0.3
71.07376	7.4
71.08621	1.5
79.89376	0.2
81.07052	0.6
83.08607	0.5
85.10177	0.9
86.09708	53.6
95.08619	1.0
98.21563	0.3
98.98463	3.8
102.92824	0.3
104.10746	100.0
105.11128	0.4
109.10143	0.3
120.66607	0.3
125.00008	29.3
163.01559	0.6
166.06328	0.3
181.02649	0.3
181.42302	0.3
184.07344	97.7
185.07579	0.4
192.92432	0.4
258.11136	1.1
285.37769	0.3
341.30536	1.6
408.72974	0.3
447.28897	0.4
506.36139	9.2
524.37134	28.0
525.37372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45047	1.3
53.03933	2.2
53.26781	1.6
55.05511	11.1
57.03209	1.3
57.03439	13.0
57.07066	4.4
59.04998	2.2
67.05505	100.0
69.07055	7.4
71.04996	3.9
71.08622	2.7
71.22268	4.2
79.05498	19.6
81.03417	2.1
81.07057	38.8
82.03757	2.0
83.08599	9.1
85.06542	3.2
87.04457	2.5
91.05476	15.4
92.05819	1.8
93.07044	22.1
95.04958	3.3
95.08606	25.1
97.10181	2.4
105.07022	9.2
107.08597	12.2
107.65771	1.5
109.10155	62.2
110.10409	2.2
111.08065	3.8
113.06004	1.6
117.07011	2.6
119.08598	9.4
121.10143	7.8
123.11708	2.5
131.08571	4.0
131.85870	1.8
133.10143	3.5
135.11682	4.3
137.09616	3.1
145.10150	3.0
147.11691	2.7
149.13289	3.8
155.10709	7.4
159.11705	3.1
169.03731	1.6
173.11761	20.0
173.13197	3.2
184.01602	1.8
186.00595	1.6
187.14798	2.7
189.01459	1.8
203.82649	1.7
227.12651	2.5
229.14351	73.7
243.21059	3.9
261.22119	8.2
267.15781	2.8
280.89053	1.8
317.24911	1.9
335.25809	61.3
361.51590	1.7
371.72931	1.7
444.18423	1.8
489.35684	23.4
506.38831	2.3
536.21655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01860	4.7
55.05517	10.5
55.20328	2.0
57.03437	7.3
57.07080	9.6
65.03967	2.7
67.05510	24.5
69.03094	2.8
69.03437	40.0
69.07060	9.2
70.06573	4.3
70.76686	4.9
71.04985	4.5
72.08161	3.2
73.02921	6.4
73.74947	2.0
79.05506	10.7
81.03423	22.3
81.07064	28.1
83.04973	7.1
83.08636	4.9
84.08143	2.6
85.02916	32.3
85.06551	76.0
86.09719	2.2
87.00849	14.1
88.84938	1.9
91.05477	16.4
93.07053	14.9
94.35187	2.3
95.04964	9.2
95.08613	31.5
97.02899	15.1
97.06539	4.9
97.10217	2.5
99.04481	10.5
99.08099	77.7
103.05476	2.6
104.51435	2.0
105.01868	8.5
105.07040	30.4
107.04961	25.8
107.08604	17.6
109.02885	25.5
109.06520	14.2
109.10166	13.7
111.02826	2.0
111.08133	3.4
111.11749	2.8
113.09653	2.0
117.06959	3.3
119.04968	2.7
119.08597	36.5
120.08073	2.9
121.06509	4.2
121.09339	3.0
121.10155	39.6
123.04395	3.8
123.08080	9.8
123.11750	10.1
125.05994	4.8
125.09644	17.9
127.03934	31.6
128.06245	2.5
129.01823	2.7
129.06982	4.8
131.04901	7.0
131.08563	7.8
133.10164	19.8
135.11700	4.2
137.05983	2.9
137.09607	7.1
137.13248	4.1
139.11154	6.8
142.07776	2.7
143.08543	9.3
145.04953	7.6
145.10106	6.8
147.07994	3.9
147.11702	32.2
149.13260	3.4
151.11172	4.5
156.09328	3.6
157.10136	10.9
159.02917	11.3
159.11731	12.1
161.09634	5.9
161.13263	7.2
163.11182	2.7
165.12779	19.9
169.10100	3.5
170.10800	2.6
171.08113	2.5
171.11667	13.1
173.13260	4.5
175.11168	3.5
175.14876	5.6
177.12790	2.8
179.14310	12.1
185.13322	10.3
189.12746	4.4
190.13617	2.2
199.14838	10.6
201.16437	14.0
203.14322	7.1
231.04955	2.6
231.17673	2.2
241.08662	2.5
241.19498	8.4
257.08200	3.6
259.20605	100.0
269.08249	2.2
277.21725	11.2
287.49533	2.2
299.05911	2.3
362.10950	2.4
363.11667	7.0
497.11624	2.4
523.56451	2.1
525.11279	5.5
525.27197	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.3
54.30728	3.2
55.01865	7.6
55.05497	15.0
55.57377	3.4
58.80293	3.2
67.05512	25.3
69.03430	20.1
69.07053	11.3
71.04995	9.0
71.48479	3.6
71.48907	5.6
79.05164	2.9
79.05509	29.6
81.03426	21.1
81.07059	38.6
83.04962	13.6
83.08611	5.9
85.02911	24.2
85.06564	5.0
91.05492	24.7
93.07051	40.6
95.04969	10.5
95.08592	17.3
97.02905	13.1
97.06514	7.5
99.04469	7.3
103.05449	13.6
105.01877	4.1
105.07036	42.7
106.07343	6.0
107.04964	57.4
107.08586	24.8
109.02869	7.8
109.06515	8.0
109.10162	24.9
111.08064	11.3
113.09641	6.4
117.07021	10.1
119.08585	36.9
121.06498	21.9
121.10172	32.5
123.11686	10.2
125.09629	9.2
127.03922	12.7
128.06190	5.6
129.06963	4.2
131.04933	16.0
131.08560	11.3
133.06525	6.1
133.10136	52.2
135.08063	43.3
135.11716	9.2
136.08405	15.2
137.05962	19.2
137.09637	30.0
138.06314	5.7
141.07024	4.1
143.08559	6.7
145.04988	5.8
145.06425	6.0
145.10115	9.8
146.76050	3.9
147.04379	8.2
147.08044	9.4
147.11707	11.8
147.67372	4.0
149.09637	8.2
149.13255	7.2
151.07579	24.5
151.11185	16.5
152.07858	11.3
157.06548	6.9
157.10101	5.7
159.02832	3.6
159.08002	6.1
159.11687	7.3
161.06015	8.6
161.09625	9.0
161.13281	7.0
163.11215	7.3
165.07027	4.6
165.12679	4.9
171.08107	4.0
171.11606	5.4
173.09537	5.8
175.07538	4.7
175.14833	28.9
179.08479	4.8
181.06483	6.7
183.11737	4.7
185.09630	6.4
185.13191	7.7
187.11098	4.1
189.12691	6.2
197.05914	6.9
197.09637	3.9
199.07503	6.2
199.14841	4.0
201.16353	6.5
203.14320	6.4
209.09442	3.7
210.06728	4.9
211.07504	4.8
226.06267	9.0
227.07025	9.3
227.14326	3.8
239.07143	5.7
240.07782	3.9
241.08601	14.2
241.19489	5.4
255.06497	7.1
255.09921	4.0
256.07492	3.8
257.08023	4.7
259.13339	26.2
259.20560	38.8
260.13654	39.6
269.08075	6.3
277.21646	100.0
283.13193	5.6
284.13635	12.6
302.14755	4.3
326.14816	3.8
347.79419	4.4
363.11902	4.1
368.15744	8.5
404.10403	5.3
426.90732	3.7
433.20334	5.4
465.13535	6.8
493.12637	21.7
525.15375	46.5
525.27985	14.7
526.16486	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.05508	19.4
57.07075	13.0
67.05496	32.0
69.07075	43.9
70.06592	16.5
70.34805	5.9
71.05006	7.3
71.48442	10.7
79.05497	21.5
81.07062	100.0
83.08610	15.4
85.02905	11.7
85.06551	16.5
86.09698	10.6
91.05464	9.5
93.07056	35.1
95.07360	6.6
95.08611	87.5
97.06521	8.6
97.10149	9.9
99.08084	12.9
105.07040	13.5
107.04943	47.6
107.08598	27.7
109.10155	56.6
110.09698	14.2
111.08106	17.3
111.11742	10.6
119.08598	16.4
120.08118	6.5
121.10146	27.9
123.11701	59.9
133.10121	7.4
135.11655	20.8
137.13245	24.7
139.11203	7.0
141.12706	9.4
147.11658	12.5
149.13234	24.7
151.14796	8.2
153.12724	6.6
161.13222	11.3
163.14803	14.2
165.01868	24.3
166.08643	21.2
183.02908	11.0
191.17961	7.0
197.05896	5.9
205.19467	17.1
217.19553	15.6
223.20563	7.1
235.20570	11.9
253.21623	16.9
263.42123	6.5
269.08078	22.4
279.26932	6.6
289.05450	8.6
291.26874	39.1
309.27853	24.3
314.93481	6.2
327.28818	9.2
361.13980	14.2
363.12247	25.8
465.12793	7.9
525.17017	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49980	12.2
55.49623	14.4
58.61176	14.7
61.62202	16.0
64.31181	16.8
67.05499	34.2
69.07076	37.5
69.52184	85.9
78.17965	14.7
79.05486	16.7
79.15936	14.3
81.07069	100.0
81.96546	14.1
83.08628	27.1
85.02897	23.8
85.06576	17.3
91.05477	15.4
93.07050	38.3
95.08609	96.0
98.21492	32.2
107.04925	24.9
107.08591	56.1
109.10168	86.3
121.10149	30.7
123.11736	87.4
135.11725	31.5
137.13310	29.4
144.27731	14.8
149.13284	35.6
163.14806	27.4
195.96153	15.8
247.03229	19.5
261.65433	19.5
273.25839	25.2
291.26874	65.3
309.28000	35.6
336.36859	14.1
363.12247	30.4
461.49744	18.1
473.77078	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21028	3.2
55.05501	10.7
56.93166	3.3
57.07078	3.8
59.88545	3.4
62.01485	3.3
67.05495	16.4
69.03413	3.2
69.07072	31.7
69.85131	17.7
79.05471	14.0
81.06596	5.8
81.07056	100.0
83.08607	12.0
85.02911	5.6
85.06535	10.3
87.77048	3.8
91.05466	9.0
93.07050	24.3
95.08601	56.0
97.06558	3.7
99.08115	4.6
100.04888	3.4
104.69208	3.5
105.07035	13.9
107.04958	20.3
107.08582	29.3
109.02894	3.5
109.10160	46.1
111.08101	6.4
111.11692	10.2
117.73028	4.3
118.97417	3.6
120.08139	5.9
121.06479	5.4
121.10165	16.9
123.11725	36.0
127.11187	8.8
133.10101	4.8
135.11681	15.8
137.13239	37.0
141.12721	13.5
145.10167	4.1
147.11653	7.9
149.13232	15.8
151.14825	6.0
152.70465	3.5
153.12785	6.9
155.14285	11.9
161.13246	5.1
163.14742	6.5
165.16405	3.5
167.14336	7.9
173.15346	7.5
177.16339	5.4
179.17966	3.5
217.19455	5.4
242.09485	7.6
261.25870	5.2
273.25793	9.7
279.26822	5.3
291.26758	24.5
309.27917	20.5
327.28824	9.2
345.29767	7.2
359.34018	4.1
393.09381	4.8
403.14859	4.7
415.39264	3.4
525.22723	10.8
525.30151	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	526.1989
Annotation	KT5926
Peak:m/z	Relative Intensity
59.99456	0.7
67.05483	0.7
68.99799	0.8
71.03016	1.4
81.07059	0.6
86.09711	2.1
93.07069	1.0
98.97604	1.1
98.98484	0.7
104.10754	1.4
125.00023	0.9
133.08670	0.6
141.07013	1.5
141.41135	0.6
145.06491	0.7
152.06294	0.9
153.06998	1.2
154.07745	0.7
155.04924	2.5
155.08572	1.0
165.07002	2.6
167.08588	1.1
168.05722	1.1
169.06509	2.8
171.04425	1.5
181.06509	3.2
182.07283	1.2
183.08084	3.0
184.07339	1.3
185.68744	0.8
186.07826	1.0
189.54808	0.6
195.08110	4.5
196.05246	1.1
197.06013	5.8
198.06816	1.8
207.04465	3.7
208.05283	1.2
210.06821	1.2
211.07559	6.4
212.08334	2.7
213.05490	3.9
213.09113	6.6
223.07593	4.3
224.08359	1.5
225.05470	5.4
225.09105	1.5
226.06306	1.4
226.09932	3.0
227.07103	2.1
227.10652	1.9
228.07936	1.0
229.08636	2.2
237.05647	0.9
238.09969	1.5
239.07030	7.0
239.10640	3.3
240.07880	1.0
241.04932	1.0
241.08688	4.1
242.09386	1.9
243.10226	2.6
253.08614	0.7
254.09456	1.6
255.06369	0.9
255.07729	0.8
255.10100	5.0
256.07501	1.7
256.10980	6.2
257.08133	8.4
257.11758	1.5
269.08197	2.6
269.11798	4.6
270.12503	8.6
271.09598	3.1
283.09802	1.0
285.11261	2.4
286.12051	5.8
297.11255	1.9
405.11246	0.8
422.11511	1.5
437.14194	1.2
465.13522	2.0
480.15717	14.7
481.16122	0.9
485.12720	0.7
511.17471	3.8
526.19916	100.0
527.20056	3.9
527.37085	1.1
533.12354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
53.36415	1.4
55.05519	17.0
57.03442	14.1
57.07062	5.5
58.25368	1.4
59.04995	4.0
60.30898	1.4
65.03938	2.3
66.36281	1.4
67.05509	100.0
68.49577	1.5
69.07073	17.9
69.79201	8.2
71.04985	3.4
71.08625	2.1
79.05497	9.3
81.07058	53.2
83.08624	13.1
85.06543	2.0
87.04476	1.9
89.06040	29.6
91.05479	12.2
93.07036	14.4
95.08609	31.7
97.06522	2.4
97.10159	6.5
99.08071	1.5
101.65150	1.4
105.07008	4.8
107.08591	6.4
109.10165	82.8
111.08063	4.0
119.08598	12.2
121.10132	5.2
123.11700	4.6
133.08611	17.5
133.10135	4.8
135.11678	2.4
137.09599	1.9
137.13260	3.2
145.10086	1.6
149.13263	1.8
155.10687	8.1
159.11644	1.7
161.13232	1.8
163.14919	1.6
173.11772	18.1
177.11208	5.9
199.06839	1.5
229.14360	80.4
235.16609	1.5
245.22542	1.5
263.23676	4.8
327.20172	9.9
337.27393	84.2
491.37329	55.0
506.26337	1.6
552.10468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80751	1.1
55.05505	3.2
57.07079	59.0
59.81522	1.0
67.05506	2.7
69.07081	7.7
69.15939	2.9
69.16355	8.7
71.08636	54.4
73.06557	5.2
79.05521	1.1
81.07071	2.6
83.08622	5.0
85.10188	33.6
87.04483	5.7
89.06036	100.0
91.05492	1.7
93.07040	2.5
95.08561	2.0
96.54705	0.9
97.10143	4.7
99.11723	6.4
105.07080	1.6
107.07063	1.5
107.08569	1.3
111.11709	3.9
113.13292	4.8
117.09122	4.3
119.08518	1.5
125.13274	3.0
127.14848	3.6
130.08643	1.4
130.97208	1.0
131.07050	1.2
133.08614	63.4
145.10182	1.2
171.11752	1.3
176.06184	1.1
177.09676	1.7
177.11232	27.1
183.20967	1.6
186.16411	1.0
201.38364	1.4
221.13818	6.7
227.23633	1.5
239.14859	3.8
271.26321	4.2
283.17511	3.1
315.28912	5.0
327.20114	20.0
421.35175	1.5
465.37909	1.5
509.34424	1.4
509.40604	14.8
526.42224	1.9
527.37207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1166
Annotation	2'-Benzoylmangiferin
Peak:m/z	Relative Intensity
56.96561	2.1
69.03413	2.4
69.85987	8.1
85.02890	5.5
97.02818	2.2
98.97572	7.1
107.04962	3.7
110.97559	3.3
127.03918	3.1
145.04916	2.6
155.01733	2.0
158.99573	2.1
185.02940	2.4
201.00768	2.1
219.01845	4.0
237.02863	2.3
245.05003	3.5
300.63657	2.5
308.69153	2.0
321.10275	5.7
342.59570	1.7
352.07907	1.9
358.41867	2.1
365.06354	49.3
365.10791	3.0
393.98798	2.2
406.99728	1.8
413.69574	1.8
527.11560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84832	3.6
53.03939	16.1
55.01867	11.3
55.05510	21.7
55.98392	3.6
57.03438	29.2
61.02925	26.9
64.58137	3.4
65.03943	5.2
67.05506	69.4
69.03433	39.5
69.07069	26.8
70.54649	11.4
71.04991	12.8
73.02928	9.8
79.05497	58.1
81.03423	48.4
81.06593	7.0
81.07056	89.4
82.87049	3.7
83.04988	25.8
83.08636	9.3
85.02902	43.7
85.06546	5.7
91.03951	16.6
91.05484	78.1
91.71397	3.6
93.07045	65.4
95.04990	18.1
95.08613	30.0
97.02908	31.9
97.06525	9.9
97.10162	4.7
97.39816	3.3
99.04491	18.3
99.08101	4.6
101.02376	8.6
103.03951	5.4
103.05467	5.6
105.07041	74.0
105.96651	3.5
107.04964	42.8
107.08601	57.0
109.02883	16.5
109.06532	13.3
109.10165	54.1
111.04459	7.7
111.08083	6.1
113.06036	3.6
117.07016	13.1
119.08605	17.7
121.06522	11.3
121.10151	16.1
123.08058	10.7
123.11696	8.0
125.05994	3.7
127.03943	23.4
127.07578	4.1
129.05429	8.1
129.06989	7.4
131.04924	7.1
131.08586	25.8
133.06506	9.1
133.10130	100.0
135.08061	16.4
135.11682	12.2
137.05969	5.9
143.08525	7.3
145.05008	5.1
145.10149	13.3
147.08138	5.2
147.11716	9.0
149.09599	12.1
151.07491	4.9
151.11182	81.2
154.71059	4.5
157.10103	7.6
159.08080	9.2
159.11699	6.5
161.09627	11.8
161.13257	5.8
163.11241	3.9
165.09102	5.0
169.12259	16.2
171.11690	7.1
173.09612	4.9
175.11194	5.5
177.09061	10.6
179.10677	9.5
183.06548	8.2
191.10898	6.3
198.06451	3.9
211.13066	4.0
215.12798	9.7
237.16470	5.7
241.08670	3.8
245.77272	3.7
251.12683	6.5
253.14330	35.6
263.20078	6.4
269.13974	4.4
271.15488	10.0
273.18481	27.2
281.66751	4.2
285.16995	4.1
291.19565	20.3
347.22113	17.1
365.23334	35.5
451.16229	4.2
527.16821	7.2
527.28809	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
53.28561	1.3
55.01873	8.3
55.05516	28.5
57.03443	14.4
60.14989	1.3
61.02702	1.3
61.02930	14.7
65.03937	2.7
65.66772	1.2
67.05147	1.4
67.05512	33.4
69.03436	24.5
69.07072	26.9
69.13088	14.8
71.01353	3.4
71.04993	4.4
73.02921	9.2
79.05496	31.0
81.03423	34.6
81.07059	34.2
81.56089	1.3
83.04987	10.8
83.08624	14.1
85.02904	26.3
85.06554	1.4
91.03948	8.1
91.05485	25.6
93.07047	26.3
95.04966	15.6
95.08616	16.2
97.02898	23.5
97.06535	8.1
97.10182	18.8
97.89695	1.3
99.04466	5.7
101.02378	6.4
103.03963	4.2
103.05479	1.9
105.04475	1.5
105.07037	20.6
107.04971	23.7
107.08595	15.7
109.02881	9.2
109.06532	8.0
109.10165	12.1
111.04453	5.4
111.08070	4.9
115.05472	2.4
115.07536	1.5
117.07011	11.2
119.04976	1.3
119.08578	17.3
121.06505	5.4
121.10174	9.0
123.04442	2.5
123.08083	9.7
123.11711	3.0
125.09635	15.4
127.03925	12.5
127.07587	3.1
128.06233	2.2
129.05511	2.3
129.07019	6.5
131.08571	11.0
133.06485	5.4
133.10129	8.9
135.08073	8.7
135.11731	4.8
137.06001	3.3
137.09660	4.2
137.21469	1.3
139.11116	1.4
141.07010	2.0
141.09085	1.9
143.08582	4.6
143.66408	1.3
145.06459	2.5
145.10133	10.2
147.08015	7.2
147.11691	6.2
149.06033	1.8
149.09639	6.0
149.13284	2.3
151.07486	1.6
151.11237	1.5
153.09135	4.5
157.06572	2.1
157.10143	4.8
159.08093	2.9
159.11729	4.8
161.09642	5.5
163.11205	5.4
165.09125	3.6
167.07047	1.9
169.10085	1.6
171.10225	2.5
171.11757	4.5
173.09665	1.6
173.13316	2.3
175.11206	3.7
183.06543	2.4
183.08092	1.6
185.09731	2.1
185.13326	1.6
187.11298	1.8
189.11249	11.8
189.12656	1.7
193.12270	10.8
195.13893	2.1
201.07558	1.6
205.12166	2.4
211.11450	2.2
211.13136	7.3
219.13837	1.7
221.11708	1.8
223.13303	17.6
227.12790	5.4
227.17909	1.9
235.13327	2.8
245.19077	2.6
249.14915	5.1
255.17567	2.3
263.20291	1.6
267.16058	3.9
271.09326	1.6
273.18515	24.3
291.19550	100.0
292.19730	2.9
306.46951	1.5
344.85806	1.4
347.22241	8.6
365.23248	27.5
407.24277	2.3
473.26172	2.2
491.26010	1.6
509.27390	3.6
527.16418	2.5
527.28284	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01854	5.2
55.05273	2.4
55.05513	28.0
57.03429	5.5
59.35506	2.1
61.02700	1.8
61.02932	18.9
65.03953	2.0
67.05505	28.6
69.03418	7.9
69.07069	11.6
69.16994	21.9
69.93134	2.1
71.04987	3.6
73.02909	8.1
79.05494	28.2
81.03422	3.9
81.07056	30.5
81.51542	2.0
83.08614	9.0
84.08149	3.6
85.02905	15.7
85.06549	4.5
91.03951	8.6
91.05482	49.8
93.07047	29.7
95.04950	4.9
95.08604	18.8
97.02888	12.1
97.06535	7.2
97.10161	6.2
98.20795	3.3
103.05495	3.4
105.07028	42.1
107.04948	14.6
107.08591	15.1
109.06517	13.3
109.10173	7.3
111.08110	4.3
115.05482	5.1
116.06232	3.1
117.07017	25.8
119.08568	23.5
121.06497	7.2
121.10122	10.0
123.08054	8.0
127.03918	4.4
128.06224	14.7
129.07011	20.2
130.07780	7.6
131.08569	55.3
133.06488	8.2
133.10123	20.1
135.08040	5.5
135.11678	4.6
138.98419	1.8
141.06961	6.4
142.07765	5.1
143.08559	56.3
145.04944	2.3
145.10126	57.5
147.08020	10.3
147.11659	9.7
149.09644	4.6
149.13249	3.1
155.08513	8.1
157.10081	17.5
159.08054	4.4
159.11656	14.0
161.09624	15.4
163.11185	5.6
167.08566	3.3
169.10129	10.5
171.08104	2.1
171.11749	12.3
173.09645	3.8
175.11208	8.4
177.12770	7.6
181.10092	8.6
183.11681	6.8
185.09581	4.2
185.13257	6.7
195.11691	17.2
197.13313	2.1
199.11162	3.7
199.14824	3.0
226.53798	2.0
227.17924	6.3
237.16391	16.6
245.19009	4.3
255.17461	21.4
273.18481	52.0
291.19452	4.0
347.22168	100.0
453.87259	2.2
520.52368	2.2
527.18024	2.8
527.32477	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	527.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
53.26311	1.2
55.01864	2.3
55.05510	5.0
57.03436	1.8
65.03940	1.3
67.05509	10.5
69.03426	3.1
69.07056	3.1
71.48161	2.0
73.02914	1.1
75.08668	1.3
76.43168	1.1
79.05500	7.9
81.03441	6.5
81.07063	9.2
83.04980	1.2
85.02904	3.2
91.05473	7.5
93.07058	7.8
95.04953	3.9
95.08622	8.1
97.02888	3.6
99.04456	1.9
105.07045	9.1
107.04960	100.0
107.08588	4.1
109.10162	4.2
111.04443	2.4
117.07002	3.9
119.08579	5.8
121.06503	3.0
121.10139	5.3
125.87500	1.3
129.07024	3.6
131.08543	5.2
133.06458	8.8
133.10146	5.3
135.08086	2.5
135.11719	2.2
141.06938	1.7
142.07890	1.2
143.08568	4.1
144.05664	1.7
145.06490	6.1
145.10117	4.7
147.08041	2.7
147.11693	2.8
157.06487	8.7
157.10081	2.5
159.08049	2.9
159.11613	3.1
161.09625	4.4
161.13272	1.9
165.06911	1.4
167.08540	1.3
169.06557	1.8
169.10144	1.4
171.08026	6.2
171.11691	2.8
173.06065	1.7
173.09607	2.6
173.13274	2.3
175.11191	2.9
179.08530	1.8
181.06516	4.2
182.07312	2.2
183.08034	7.5
183.11708	2.3
184.08855	2.6
185.09628	5.3
185.13106	1.8
187.07545	1.2
195.08107	5.3
197.09592	5.8
197.13303	1.6
199.11150	1.8
201.12874	1.4
203.10550	1.3
207.08031	1.9
209.09641	4.3
211.11185	6.4
212.08084	1.4
213.12746	3.3
221.09570	1.5
222.10536	1.5
223.11215	3.3
225.09145	1.7
225.12708	2.4
227.14259	1.9
237.12837	2.3
239.14227	1.6
241.08565	1.5
251.14537	1.7
254.08853	1.4
255.10231	2.0
263.14450	1.7
271.09637	2.9
359.94620	1.3
363.23300	3.4
365.24646	7.3
382.63077	1.4
385.23712	2.8
389.24692	1.6
403.24976	3.7
421.25818	1.5
473.26556	2.4
491.27768	4.2
495.17981	1.6
509.19553	2.9
509.28854	5.8
527.20074	16.0
527.29724	14.6
527.37604	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	527.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03945	3.5
53.84534	0.6
55.01883	1.6
55.05511	3.3
57.03421	1.5
59.80540	0.6
65.03921	1.2
67.05502	7.2
69.03439	4.4
69.07059	2.4
69.84105	3.4
71.04993	1.4
79.05495	7.6
81.03429	5.8
81.07053	5.8
83.04987	1.4
83.08628	1.9
85.02905	2.0
91.05493	7.1
93.07049	8.1
95.04970	2.1
95.08607	6.9
97.02909	3.8
97.06496	1.3
98.21481	0.7
99.04484	0.9
103.03967	1.2
103.05442	0.7
105.04517	0.8
105.07030	8.1
107.04961	100.0
107.08598	4.4
108.05282	0.8
109.02908	1.6
109.10162	2.8
111.04464	1.5
111.08089	0.7
115.03936	0.7
115.05438	0.9
117.07012	3.3
119.08569	5.6
121.06497	3.0
121.10179	4.4
123.08076	0.7
123.11739	1.0
127.03944	1.6
128.06255	1.1
129.05478	0.7
129.07008	3.0
131.04964	2.1
131.08575	4.6
131.76218	0.7
133.06487	7.2
133.10129	4.1
135.08090	1.3
135.11708	1.9
137.05989	1.5
141.06975	1.0
143.08563	3.1
144.05701	0.8
145.06503	6.5
145.10094	4.1
147.08049	1.2
147.11697	2.7
149.06009	2.0
149.09618	0.9
153.07011	1.4
155.08563	1.7
156.09410	0.7
157.06488	8.4
157.10133	2.5
159.08083	4.0
159.11722	2.4
161.09598	5.1
161.13293	1.4
165.06981	2.0
166.07826	0.7
167.08612	1.3
169.06470	1.4
169.10118	2.2
171.08095	4.3
171.11757	1.8
173.05945	1.3
173.09628	3.7
173.13313	1.7
175.11188	1.7
179.08609	1.5
181.06516	1.9
181.10059	0.9
182.07336	1.8
183.08049	6.6
183.11720	0.9
184.08813	0.7
185.09634	5.2
185.13197	1.1
187.11232	1.8
193.10040	1.1
194.07236	1.0
195.08014	3.3
195.11794	0.9
196.08842	1.2
197.06004	0.9
197.09581	4.1
199.07646	0.8
199.11259	2.5
201.12723	1.1
207.08060	1.3
209.09630	3.9
211.07784	1.0
211.11195	6.7
213.12727	2.6
217.16005	0.7
221.09642	1.4
223.11201	1.9
225.12743	3.2
227.10770	0.8
227.14374	1.0
235.11229	1.4
237.12784	2.3
239.14325	1.7
241.12302	0.7
241.15845	1.2
247.11072	1.0
249.12718	1.1
251.14452	0.9
253.15904	0.8
255.10188	1.3
257.18881	0.7
259.20676	2.1
261.12711	0.8
263.14407	1.0
265.16098	0.8
275.14191	0.9
285.07742	0.8
363.23209	4.6
365.24753	8.4
367.22809	1.4
385.23810	2.1
389.24976	1.5
403.25031	2.9
407.25739	0.9
419.25262	0.7
421.25937	2.3
431.25970	1.2
455.25641	1.7
473.26941	3.2
491.27969	4.4
509.28873	5.3
527.29974	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	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.9
53.03937	3.4
55.01867	2.8
55.05513	14.6
55.89793	0.7
57.03437	3.4
57.07070	2.1
61.08019	0.7
61.57485	0.6
62.75711	0.7
65.03941	2.1
67.05137	1.5
67.05506	31.7
69.07066	12.4
70.61676	1.6
71.04981	2.2
77.03930	0.8
79.05495	25.9
81.03423	8.9
81.07057	31.0
83.04975	3.2
83.08621	6.6
85.06538	2.3
89.03941	3.2
91.05481	24.6
93.07045	26.2
95.01032	0.7
95.04951	4.3
95.08609	19.7
97.06541	2.5
97.10178	3.3
99.08064	0.8
105.04520	1.1
105.07037	23.2
107.04974	1.1
107.08601	13.3
109.06518	1.3
109.10168	6.8
111.08079	2.4
115.05493	2.3
117.03391	6.2
117.07017	10.4
119.08585	16.5
121.06500	1.3
121.10149	10.2
123.08102	1.7
123.11725	1.2
125.09634	2.2
128.06223	3.2
129.07004	10.7
130.07814	0.9
131.08575	18.7
133.06474	1.2
133.10143	9.4
135.08115	1.5
135.11719	6.0
137.09676	1.6
139.11223	1.4
141.07014	3.2
142.07800	2.7
143.08565	13.5
145.02861	16.2
145.10120	17.3
145.11172	1.4
147.08093	1.0
147.11728	6.5
149.06003	1.5
149.09610	1.4
149.13245	4.4
149.46983	0.8
154.07780	1.8
155.08568	7.4
156.09343	1.8
157.10132	13.2
159.11722	13.8
161.13295	3.3
163.14815	1.1
165.12831	0.8
167.08580	2.2
169.10123	10.1
171.11685	12.4
173.13275	6.5
175.11208	2.2
175.14861	1.8
177.05476	48.1
179.08548	1.4
181.10127	2.9
183.11697	8.2
185.13269	8.4
187.14795	3.8
193.10268	1.1
193.12294	3.2
195.11737	3.8
195.13544	1.0
195.94595	0.7
197.13239	6.3
199.11162	1.0
199.14835	5.7
201.16434	1.3
207.11726	1.0
209.13315	3.9
211.14845	4.6
213.16441	2.0
215.18106	1.1
223.14870	3.0
225.16441	2.7
235.14819	1.3
237.16338	1.7
241.19559	2.2
254.03032	1.0
259.20599	2.2
261.22064	1.3
265.19641	0.9
283.20740	1.1
283.24600	0.9
285.18460	0.9
285.22092	0.8
293.22247	1.1
295.20547	0.8
297.22150	2.4
309.22223	1.8
311.23724	2.2
313.21701	1.1
313.25345	0.9
315.23123	0.9
323.23837	1.6
325.25339	1.5
327.23303	1.4
335.23563	0.9
337.25446	0.8
355.26416	1.2
417.31494	4.2
435.32578	10.8
453.33609	9.2
471.34750	4.5
491.35239	1.1
509.36478	6.2
527.37341	100.0
528.37305	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
51.79605	0.6
53.03954	3.5
55.01862	2.4
55.05271	1.2
55.05514	15.8
57.03435	4.0
57.07072	1.9
62.32726	0.7
65.03938	2.2
67.05507	32.8
69.03439	1.3
69.06728	1.2
69.07071	11.7
69.31149	6.3
71.04995	2.6
77.03919	0.8
79.05493	25.7
81.03423	10.1
81.07055	30.8
81.07537	1.5
83.04976	2.4
83.08620	7.7
85.06561	1.6
89.03894	3.3
91.05488	27.1
93.07046	25.6
95.04980	5.5
95.08614	18.6
97.06524	2.1
97.10179	3.7
98.21584	1.2
103.05476	0.8
105.07036	24.2
107.04956	2.4
107.08601	14.7
109.06532	1.3
109.10160	8.8
111.08098	1.9
115.05440	1.6
117.03385	8.2
117.07020	10.4
119.08584	16.2
119.09382	1.4
121.10141	10.8
123.08083	2.0
123.10524	0.6
123.11688	1.0
125.09636	2.7
128.06230	2.9
129.07010	11.2
130.07684	0.7
131.08571	19.2
133.06517	0.7
133.10135	11.1
134.03662	0.9
135.04407	0.8
135.08049	0.8
135.11716	5.8
137.09645	1.8
141.06985	2.8
142.07794	2.3
143.08566	12.9
144.09380	1.2
145.02850	21.1
145.10138	15.2
147.08060	1.2
147.11671	8.2
149.05983	1.7
149.09671	1.0
149.13251	4.5
151.11339	0.7
153.07002	0.9
155.08569	6.7
156.09360	1.3
157.10135	12.6
159.11690	11.6
159.12889	1.1
161.09531	0.8
161.13266	2.8
167.08621	2.2
168.09352	0.8
169.10121	9.1
171.11696	9.0
173.09682	0.8
173.11913	1.3
173.13269	9.3
175.11241	2.1
175.14929	1.5
177.05473	51.4
177.12698	1.5
179.08591	1.2
180.09258	0.7
181.10123	3.0
182.10992	0.8
183.11700	9.8
184.12480	1.0
185.13235	7.7
187.14813	3.6
189.11267	1.1
193.12325	3.9
195.11746	3.6
195.13538	0.7
197.13255	7.3
199.14833	5.1
207.11800	1.3
209.13252	3.4
211.14867	2.7
213.16435	2.5
221.13309	1.6
223.14806	2.0
225.16447	1.8
227.18068	1.1
235.14845	1.7
237.16449	1.4
239.17874	1.3
241.19595	1.7
251.17883	1.1
259.20584	3.0
261.22150	1.2
265.19730	0.7
267.17551	1.0
269.19202	1.0
275.20145	1.1
283.20670	1.6
297.22244	2.1
301.25278	1.1
309.22125	1.5
311.23740	2.6
315.23175	1.8
325.25424	1.1
327.23218	1.4
329.24866	1.0
339.27026	0.8
341.24966	1.4
353.24564	1.0
393.74661	0.7
415.28052	0.8
417.31476	3.8
435.32599	12.3
453.33640	8.5
471.34750	4.9
491.35178	1.5
509.36163	6.9
527.37347	100.0
528.37378	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	528.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12458	0.1
55.05510	0.4
55.25518	0.1
67.02972	0.2
67.05506	0.8
69.03419	0.1
69.07066	0.2
69.85497	0.6
76.68034	0.1
79.05490	0.8
80.05796	0.1
81.03407	0.5
81.07049	0.7
83.08637	0.1
89.62311	0.1
91.05482	0.4
92.02494	0.2
93.07047	0.5
94.04058	0.5
94.07419	0.1
95.08614	0.5
97.18446	0.1
105.07021	0.4
105.15801	0.1
106.63725	0.1
107.04918	0.1
107.08598	0.4
109.10168	0.3
117.07003	0.2
119.03553	1.6
119.08584	0.3
121.10152	0.3
129.07031	0.2
131.08545	0.2
133.10088	0.1
135.11679	0.2
136.06186	100.0
137.04607	0.8
137.06511	0.4
145.10109	0.2
147.11638	0.2
157.10107	0.2
158.10306	0.1
159.11694	0.2
193.12138	0.1
239.00267	0.1
288.08908	0.1
307.59183	0.1
335.60571	0.1
390.65643	0.1
436.32510	0.1
468.19067	0.2
528.31451	6.0
528.37836	0.9
529.31891	0.2
529.39172	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	528.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01872	0.9
55.05513	5.7
55.28971	0.6
58.06321	1.3
58.06605	25.7
60.04506	1.1
67.05510	7.7
69.03429	0.8
69.07063	3.0
70.17905	2.5
72.08189	1.0
79.05495	7.6
80.05808	0.9
81.03417	2.7
81.07057	7.9
81.96347	0.7
82.03766	0.7
82.07372	1.6
83.04493	1.5
83.04985	26.2
83.08629	2.9
85.06534	0.7
91.05482	5.5
92.05826	1.1
93.07048	7.3
95.04968	2.1
95.08611	7.2
97.06538	0.8
97.10168	1.4
100.07623	4.5
105.07049	6.1
107.04948	2.1
107.08592	9.5
108.08948	1.2
109.06514	1.5
109.10168	5.1
111.08112	1.3
117.07017	2.1
119.08582	9.7
121.06539	1.4
121.10146	5.5
123.08121	3.6
123.11754	1.4
125.09648	1.1
129.07014	1.9
130.07379	0.6
131.08580	4.5
133.10150	6.6
135.00887	0.7
135.08020	1.1
135.11714	2.8
137.09671	1.2
140.05663	0.7
141.07034	0.9
143.08601	3.0
144.09296	0.7
145.10132	4.9
147.07968	1.3
147.11710	2.8
149.09634	2.0
149.13310	1.1
153.24780	0.7
155.08582	2.1
157.10144	3.2
159.11734	6.8
161.09604	2.0
161.13263	2.7
163.11198	2.3
163.14835	0.9
165.12961	0.6
169.10190	1.3
171.11713	3.1
173.13306	3.1
175.11226	1.8
175.14838	1.6
177.12772	0.9
183.11737	1.8
185.13263	2.0
187.14851	2.2
189.12761	1.0
191.14378	1.0
193.12262	2.1
194.12589	0.9
195.11719	0.7
197.13264	1.2
199.14888	1.9
201.16373	1.4
203.14401	1.5
205.15977	1.4
209.13254	1.3
211.07585	0.9
211.14760	0.9
213.16414	1.0
215.14314	0.8
217.15953	0.9
223.15024	0.8
225.16423	1.0
226.09822	2.2
227.10342	1.5
227.17999	0.9
231.17485	1.5
242.09418	0.7
257.08139	1.3
258.08499	1.3
285.11392	3.2
286.11676	3.5
311.23764	1.7
329.24957	1.0
397.27365	2.0
409.38989	0.7
421.10379	0.7
433.31082	1.4
436.33020	1.7
451.32138	7.4
472.35379	0.9
528.20807	6.6
528.36993	100.0
529.37250	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	528.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01885	1.2
55.05511	8.3
57.03439	2.0
57.07077	28.5
60.33135	1.1
67.05509	11.4
68.05838	2.4
68.55305	1.1
69.03427	1.8
69.07061	5.0
71.08636	25.2
73.06557	7.2
79.05490	8.5
80.05808	1.1
81.03418	6.0
81.07059	12.6
82.07413	1.6
83.08625	7.2
85.10185	25.1
87.04475	5.6
88.13934	1.2
89.06034	100.0
91.05480	8.4
92.05803	1.9
93.07035	6.9
95.04996	2.2
95.08604	8.2
96.08931	1.7
97.02882	1.6
97.06509	1.4
97.10156	3.1
98.20667	2.5
98.55031	1.1
99.11716	2.3
102.38277	1.1
105.07032	6.6
106.07337	1.7
107.04957	4.9
107.07120	1.3
107.08594	3.6
109.10183	3.4
111.08073	1.3
115.05425	1.3
117.07017	2.9
117.09131	3.8
119.08595	5.2
120.08917	1.6
121.10133	3.0
123.11727	1.2
128.06227	1.0
129.06995	3.5
130.07333	1.6
130.08669	2.9
130.83578	1.3
131.08566	4.1
133.08611	47.7
133.10161	3.2
134.10431	1.3
135.11668	1.7
141.16386	4.5
142.07771	1.1
143.08531	2.3
145.06465	2.1
145.10107	3.9
147.11668	1.8
152.05737	3.2
155.08560	2.0
157.10144	2.7
158.10548	2.0
159.11674	2.2
161.11780	1.8
169.10143	2.2
171.11562	1.6
172.19455	1.1
173.13344	1.6
177.11238	16.5
183.11638	1.5
184.12134	1.4
185.09656	1.4
185.13177	2.4
185.19037	5.5
221.13803	3.8
227.75169	1.2
229.21655	8.9
239.15088	1.6
265.16605	1.4
273.24240	4.9
283.17661	2.7
371.22714	5.9
436.32831	3.7
452.62219	1.4
454.33600	2.0
467.35535	1.6
511.38428	8.7
528.30493	2.3
528.37714	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	529.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.11555	1.9
56.96569	15.2
57.03431	2.7
60.03115	1.7
61.02924	3.8
62.40941	1.5
69.03436	13.2
70.06599	3.7
71.04980	2.0
71.47907	2.6
71.48261	2.1
73.02891	3.9
81.03428	6.1
84.08148	5.1
84.96039	7.9
85.02920	24.4
87.04478	3.2
95.04962	3.2
96.16077	1.9
97.02901	12.7
98.06056	1.7
98.97594	51.7
98.98218	3.9
99.04472	2.5
99.97945	2.0
101.00877	13.6
104.41456	1.7
107.04967	58.2
108.05338	3.7
109.02898	3.2
110.97560	12.2
112.99147	4.6
113.00896	4.4
115.00726	2.1
115.02450	2.6
116.98633	14.3
117.22579	1.6
119.01932	13.7
119.04975	2.2
124.99128	2.7
127.02461	4.2
127.03928	6.5
128.98624	10.3
131.00233	4.9
131.01907	14.3
134.99651	2.9
137.02988	2.3
137.06007	2.2
140.98596	3.5
142.01131	9.3
143.00203	7.6
143.01933	14.8
145.01678	2.6
145.03506	9.2
145.05000	4.1
146.02319	2.5
146.99680	5.4
147.01404	2.5
149.05954	4.6
152.05699	5.7
155.01904	24.3
156.02692	5.4
157.01758	2.3
157.03477	8.1
158.99698	11.4
159.01410	2.3
160.02231	5.2
161.01266	4.7
161.02953	15.1
165.04022	3.5
168.02704	2.2
169.03479	2.6
170.99695	5.8
173.01396	3.7
173.02988	29.7
175.02669	2.2
175.04614	3.7
177.00726	7.8
179.02197	3.2
182.99730	4.1
183.05026	3.2
185.02988	4.9
186.03722	2.2
187.04477	2.6
187.07680	3.3
189.00769	2.9
190.98688	2.3
191.05579	3.9
193.01743	3.7
195.05107	2.1
196.02388	2.4
197.03036	3.4
199.04486	2.3
201.00806	10.5
203.04073	9.4
205.00214	3.1
205.03790	3.4
207.05032	8.1
211.02849	3.2
212.04887	2.5
219.01823	24.1
219.05084	7.6
221.05034	24.9
221.06721	2.6
223.02777	5.2
223.04720	4.6
225.06136	4.4
231.05194	4.1
234.04669	2.2
235.04529	7.9
237.02853	17.7
237.06091	4.8
241.03891	4.0
243.01674	2.4
243.02504	2.5
243.05238	53.8
243.07326	2.3
243.55447	6.3
244.04324	29.3
245.02556	3.9
245.05066	68.9
246.05421	2.9
247.04733	4.3
249.06143	31.1
253.05626	5.0
259.04605	2.5
261.02936	10.3
261.06100	7.5
263.03894	2.5
263.07742	3.1
267.07114	17.3
271.06888	2.0
275.06171	8.6
277.05676	9.7
279.03952	3.8
279.07159	9.6
281.05331	2.6
281.08527	2.0
284.63910	1.8
287.05518	3.9
288.08710	3.4
289.05820	3.1
291.07156	6.5
295.06689	6.3
295.10764	2.6
303.07117	2.7
305.07684	9.0
307.06769	3.4
309.08408	11.2
319.06656	3.8
321.04858	4.0
321.08298	2.7
323.06158	2.4
331.07056	3.7
332.10092	2.7
333.08295	5.5
337.07788	10.4
349.08124	4.2
351.09293	84.1
352.09653	4.0
355.08813	2.3
367.08612	3.6
369.10403	3.1
379.08801	33.4
380.08905	2.2
386.10083	2.6
387.11713	2.2
395.06549	6.9
397.09924	36.6
409.10028	4.3
411.11386	6.2
415.10861	10.3
439.10907	7.0
469.12000	100.0
470.12064	3.6
485.09543	4.9
487.13101	11.2
511.10712	3.9
529.10553	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	529.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02380	0.7
53.03939	1.7
54.34930	0.4
55.05532	0.9
57.03437	0.5
67.05494	1.3
69.03438	2.7
69.07060	0.6
77.03942	1.0
79.05492	1.3
79.76192	0.4
81.03414	2.2
81.07072	1.8
84.08152	0.5
85.02909	0.8
91.05501	3.5
93.07048	1.0
95.04966	1.6
95.08611	0.8
98.20586	0.6
102.05518	0.4
103.05475	39.6
105.03407	2.7
105.04523	0.8
105.07030	1.0
107.04962	11.8
107.08572	0.6
109.02863	0.9
109.10133	0.5
109.86932	0.4
115.05465	10.1
119.08598	0.7
121.02886	0.5
121.06524	0.6
121.10172	1.1
122.68311	0.3
127.03914	1.3
131.04938	100.0
132.05254	1.0
133.06485	0.4
133.10130	0.9
137.06035	0.4
144.08171	0.5
145.06509	0.6
149.05974	1.0
159.08070	0.7
165.07028	1.2
166.07819	1.9
169.20906	0.4
179.08623	0.4
181.06471	0.5
181.10118	2.7
187.07486	0.5
191.08655	2.0
194.07309	3.0
209.09628	35.4
210.09888	0.6
213.09129	0.4
229.35809	0.4
237.09114	2.3
241.08591	0.7
259.06018	0.4
275.09262	1.3
275.20007	0.5
349.23795	1.5
376.53174	0.5
381.13422	0.5
529.18140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.8
55.01879	3.0
55.05511	11.7
57.03421	3.9
61.56535	2.9
65.03914	3.4
67.05511	61.8
69.03426	3.5
69.07058	11.0
70.93156	6.3
74.14194	2.7
79.05499	18.0
81.07063	34.2
91.05486	16.9
93.07040	22.3
95.04970	2.9
95.08161	2.7
95.08622	32.0
97.10194	4.6
103.05496	7.6
105.07045	20.9
107.04957	7.3
107.08578	8.5
107.18610	2.7
109.10176	21.8
109.38552	3.0
117.06989	6.1
119.08574	18.6
121.10168	12.2
122.02990	3.0
123.11742	8.3
129.06998	3.3
131.04941	6.7
131.08563	6.5
133.10097	6.7
135.11745	2.8
145.10138	3.7
147.11693	9.3
159.11697	5.9
161.13341	2.6
165.06984	6.3
167.07010	2.6
167.08603	4.6
179.08578	5.8
195.07985	4.9
208.08830	5.6
209.06035	4.3
209.09721	4.5
210.06638	3.1
219.08099	4.6
224.08412	7.6
225.09085	7.6
232.08727	3.4
233.06023	4.2
233.09682	4.1
235.07555	10.8
237.09241	3.2
239.07002	5.2
239.10783	6.6
245.09612	4.5
246.06801	2.8
246.10495	3.2
247.07552	4.6
248.08392	18.3
249.09085	6.5
249.18549	3.3
251.10698	10.8
251.20195	7.6
252.07785	3.6
253.08687	12.8
254.09293	6.3
255.10245	3.9
256.08789	3.4
257.19028	3.3
258.10602	3.2
259.07605	6.2
260.08456	3.9
261.09183	11.6
262.09830	3.7
263.07153	9.3
264.07910	5.5
267.10175	55.2
269.09622	7.9
271.07501	4.1
271.11072	4.1
273.09201	9.9
274.09845	6.3
275.07117	4.0
275.10599	6.2
275.20108	12.3
276.07883	16.4
276.11508	5.9
277.08694	7.5
278.09366	24.8
279.10260	34.3
279.13257	4.9
280.11118	4.2
285.09198	8.1
286.09979	9.8
287.10617	6.1
288.11472	7.6
289.08835	6.1
289.12076	7.2
290.09427	5.8
290.12723	3.1
291.07132	6.0
291.10172	86.8
292.10974	10.6
293.11771	11.2
295.13486	5.7
297.09143	4.3
298.10004	6.4
299.10635	13.8
300.11456	8.3
301.08810	7.2
301.12302	6.5
302.09467	6.9
303.10132	7.6
303.13409	3.4
304.10931	8.5
305.11789	18.2
306.12546	4.2
307.13586	14.7
312.11548	3.6
314.09409	4.4
314.12866	5.5
315.10184	9.5
316.10931	14.4
317.11722	35.6
318.12384	3.4
319.13284	12.2
321.14923	4.4
328.11066	6.0
329.11774	17.1
329.15292	4.0
330.12589	11.3
331.13199	19.2
333.14847	9.2
341.15118	3.4
343.13144	14.5
344.14127	4.3
345.14865	13.2
346.15720	13.4
347.16431	25.6
349.23956	4.8
355.16959	4.2
357.14969	12.7
359.16473	13.2
360.17242	3.3
371.16422	7.6
372.17276	10.7
373.18030	8.3
385.18030	6.1
386.18964	4.4
387.19650	3.7
401.17328	3.9
403.19025	10.4
412.47717	3.7
420.19171	3.9
421.20047	12.4
427.18753	3.5
429.20554	9.2
433.20337	15.2
434.20868	3.1
441.20697	6.1
443.22308	8.2
445.20120	7.9
447.21567	5.5
459.21671	39.2
460.22443	29.6
461.23175	6.4
473.23367	4.2
511.28479	34.3
529.21112	4.9
529.29492	100.0
530.30029	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.8
55.01875	8.2
55.05512	23.1
57.03440	30.9
60.59753	3.9
61.02926	32.0
65.03935	6.7
67.05497	49.1
69.03427	23.4
69.07076	22.2
70.09868	17.0
71.05000	11.9
73.02913	15.6
79.05494	56.3
81.03421	16.7
81.07056	100.0
83.04985	7.3
83.08620	16.6
85.02908	36.5
85.06537	6.1
91.03965	15.7
91.05479	64.8
93.07047	52.5
95.04971	8.3
95.08607	36.5
97.02884	21.3
97.06533	12.4
97.10175	6.1
98.20843	5.8
98.90876	4.4
99.08100	6.5
101.02378	8.4
105.07037	61.8
107.04971	20.6
107.08592	34.7
109.02895	6.4
109.06523	33.1
109.10124	10.3
111.08080	11.6
117.07012	18.2
119.08591	52.7
121.06505	9.1
121.10139	18.8
123.04449	4.6
123.08065	14.6
125.09659	8.7
127.03921	8.5
129.07027	16.0
131.04944	6.4
131.08578	30.8
133.10117	30.7
135.08092	6.2
135.11685	7.8
137.05988	27.5
137.09598	4.4
141.06935	10.3
143.08551	13.1
145.04967	5.0
145.10129	34.9
147.11693	23.2
149.09634	18.6
149.13248	9.9
151.11147	4.8
155.08545	8.2
157.10149	11.4
159.11707	20.3
161.13271	11.0
163.11198	9.3
165.12796	5.7
167.08620	5.8
169.10115	6.0
171.11740	9.5
173.13252	14.3
176.68091	4.2
177.12794	6.5
185.09694	4.2
185.13278	11.7
187.14915	5.1
189.12683	6.7
197.13347	5.8
201.86282	4.0
203.14389	5.9
205.15900	5.7
219.17462	8.1
239.17921	12.8
247.20766	5.6
257.18970	21.2
275.20074	69.1
275.22812	7.4
290.82315	5.1
293.21216	7.8
337.28568	4.4
349.23715	90.1
349.39099	4.0
367.24905	41.1
391.24908	5.2
529.29456	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21037	1.9
53.03957	4.7
55.01861	9.0
55.05510	16.0
57.03444	15.6
61.02929	36.2
63.35785	2.1
65.03951	4.2
67.05177	3.8
67.05505	38.4
69.03439	20.4
69.07073	21.9
69.28829	15.9
71.01350	3.5
71.04978	5.1
73.02923	22.5
79.05496	38.8
81.03420	17.7
81.07059	100.0
83.04973	7.4
83.08619	11.7
85.02910	45.7
85.06530	2.5
87.04448	3.3
91.03954	20.1
91.05480	26.1
93.07052	28.4
95.04954	9.8
95.08620	29.1
97.02896	30.4
97.06544	14.9
99.04449	8.8
99.08121	3.4
99.93681	2.0
101.02380	8.1
103.03954	3.5
105.07024	32.4
107.04950	9.4
107.08608	22.1
109.02875	9.1
109.06522	25.3
109.10168	10.5
111.04465	2.2
111.08102	7.1
112.08192	2.1
115.05428	2.9
117.07022	11.8
119.08591	22.5
121.06503	5.0
121.10150	18.2
123.08067	9.6
123.11710	13.6
125.09618	3.6
127.03924	14.6
129.07040	5.0
131.08542	11.3
133.10132	21.1
135.08040	4.9
135.11714	6.3
137.09612	4.9
139.11163	2.3
145.04961	4.4
145.10138	13.2
147.11690	30.8
149.09625	6.1
149.13266	8.6
151.11176	4.9
157.10138	6.2
159.11650	9.6
161.09654	3.1
161.13261	4.5
163.11171	6.7
163.14758	2.3
165.12755	12.3
170.48636	2.0
171.06444	2.0
173.13289	5.7
175.11185	5.0
177.12747	7.3
183.06573	2.8
187.11224	3.5
187.14873	2.1
188.86734	2.1
193.12321	2.8
201.07629	3.7
207.13741	3.0
215.64992	2.0
223.13261	2.2
229.19435	3.0
235.21510	2.0
237.14603	2.5
239.17973	3.9
247.20563	5.2
257.19125	9.7
275.20084	71.7
293.21124	27.1
349.23825	14.5
367.24786	54.4
385.29877	2.5
466.34061	2.1
511.28799	2.7
529.30133	5.3
543.26727	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	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19751	6.1
55.05520	8.2
61.02882	7.2
64.81808	7.4
65.06190	6.7
67.05493	18.0
69.07048	13.8
70.08469	30.0
77.07547	6.6
79.05485	18.3
81.07040	23.0
83.04967	7.3
83.08608	8.1
91.05480	13.7
92.73437	6.6
93.07027	19.1
93.53551	6.3
95.08601	18.7
105.07040	19.6
107.04939	21.9
107.08575	12.3
108.67330	6.8
119.08584	13.4
121.06486	7.9
121.10094	6.9
125.83792	7.3
131.08589	9.5
133.10115	7.6
135.08002	7.0
145.10126	10.2
147.11682	10.3
149.09708	7.5
161.09756	7.6
219.13550	6.8
233.79622	7.5
272.37173	7.1
275.19986	64.3
293.21002	10.4
349.23685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01853	1.6
55.05518	6.4
57.03422	2.2
67.05515	6.6
69.03419	2.7
69.07059	3.0
70.06561	1.4
71.08926	1.9
79.05495	9.1
79.41777	1.2
81.03408	4.0
81.07069	7.0
83.81812	1.2
91.05490	11.6
93.07034	6.2
95.04933	2.8
95.08607	4.3
97.02868	1.5
97.06512	1.6
103.05469	44.0
105.03389	3.8
105.04504	2.0
105.07016	8.9
107.04958	16.7
107.08604	3.6
109.10121	2.9
115.05463	10.2
117.07031	2.5
119.08556	3.5
121.10141	1.6
125.09568	1.5
129.06992	1.6
130.95963	1.3
131.04933	100.0
131.08551	4.1
132.05217	1.7
133.10110	5.1
135.11690	1.4
145.10095	2.8
149.09636	2.7
159.11664	1.9
167.08630	1.5
171.11769	1.9
181.10077	2.6
187.11151	1.3
191.08574	3.1
194.07253	3.5
198.12665	1.3
209.09627	34.5
215.33614	1.3
229.89931	1.5
237.09099	2.1
241.08688	1.8
242.09114	1.6
267.10126	1.9
275.20050	9.3
338.19144	1.3
349.23712	26.5
506.84082	1.5
529.16101	1.6
529.28870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33915	3.1
53.97738	3.3
55.01871	8.5
55.05522	16.5
57.03433	7.7
61.02917	6.0
62.83270	2.8
67.05232	3.3
67.05517	30.0
68.02052	2.8
69.03432	12.0
69.07063	19.6
69.17770	32.6
70.06630	2.9
79.05502	24.3
81.03437	4.7
81.07063	36.4
82.14240	3.2
83.04991	7.5
83.08632	6.0
85.02912	11.1
85.06567	3.6
86.09722	3.6
91.05495	29.7
93.07045	30.7
93.67078	3.5
95.04958	11.9
95.08611	23.8
97.02906	9.0
97.06561	7.3
97.10175	5.2
103.05453	3.3
104.17702	3.1
105.07040	28.7
107.04945	36.1
107.08630	19.0
109.06511	6.4
109.10194	15.2
117.07045	7.5
119.08592	20.0
121.06513	13.8
121.10152	8.5
123.08084	7.4
127.03938	3.7
128.06203	3.4
129.07066	4.1
131.04942	9.9
131.08553	19.6
131.77322	3.2
133.06531	7.6
133.10162	20.8
133.30215	2.7
134.23984	2.7
135.08035	6.4
135.11655	7.3
137.05974	9.4
137.09644	4.3
141.07002	5.1
143.08517	5.7
145.06520	6.6
145.10129	16.8
147.08057	6.1
147.11691	12.1
149.09618	4.6
151.07581	4.6
151.11230	8.5
157.10164	4.5
159.08063	5.7
159.11749	12.4
161.09615	3.9
161.13281	3.8
161.62306	2.9
163.11156	7.4
169.10213	3.4
171.08018	5.4
173.13275	3.4
181.06520	12.3
183.08156	6.0
183.11572	4.1
191.14336	3.2
195.08105	3.7
197.13316	3.9
205.12384	3.4
206.29910	3.1
209.06038	3.1
211.07552	5.2
211.14732	3.2
213.09171	8.5
226.06209	4.4
227.06981	5.2
239.07179	3.9
241.08595	21.4
247.20644	4.7
255.06630	4.1
255.83429	3.5
257.08063	8.8
257.19031	8.8
273.11343	4.2
275.20087	71.3
290.02704	3.4
293.20984	13.5
349.23749	100.0
367.24823	26.2
465.13538	12.4
466.13840	5.4
469.16617	5.0
479.14777	4.1
497.15799	13.5
512.04327	3.3
529.18274	14.0
529.29962	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.2
55.01869	10.8
55.05502	27.5
57.03430	13.1
60.89141	7.0
61.02922	11.9
67.05509	35.3
69.03427	20.9
69.07072	29.1
71.04987	5.9
71.08647	9.2
71.49114	9.5
79.05495	24.1
81.03414	26.2
81.07072	49.0
83.04970	8.1
83.08624	9.1
85.02899	19.8
91.05470	37.5
93.07048	37.9
95.04958	17.3
95.08597	29.9
97.02904	11.3
97.06543	16.6
97.10187	8.1
100.64427	5.9
102.92689	5.7
103.05473	6.6
105.07050	32.4
107.04942	28.0
107.08599	19.5
109.10146	11.6
117.06978	8.1
119.08562	24.3
121.06470	9.4
121.10134	11.5
125.09604	7.2
127.03925	12.9
131.04951	10.7
131.08545	14.3
133.10123	26.1
135.11688	8.8
137.05969	10.2
139.86917	6.0
145.10121	14.6
147.11679	10.4
149.09622	8.2
159.11685	9.4
176.76172	5.7
177.12769	6.8
179.14270	8.4
208.41646	5.7
216.30176	7.7
217.11673	5.9
275.20172	55.5
293.21130	57.0
349.23734	100.0
367.24655	9.9
534.27277	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	529.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	2.7
55.05511	7.9
55.61856	0.6
56.79653	0.6
57.03432	2.4
57.07094	1.1
61.02902	0.7
63.64231	0.7
65.03946	1.3
67.05180	1.1
67.05508	15.2
69.03152	0.7
69.03443	7.5
69.07065	6.9
69.13878	6.8
71.04993	2.1
71.08642	1.1
77.03928	0.8
79.05493	11.0
79.05915	1.1
81.03423	9.6
81.07059	14.4
83.04986	1.7
83.08622	4.2
85.02911	5.9
87.04478	0.8
91.05486	9.8
93.07053	13.7
95.04970	3.8
95.08613	11.0
97.02896	7.7
97.06527	1.9
97.10157	1.5
98.21552	1.5
99.04458	2.6
99.08121	0.8
100.87216	0.7
103.03944	1.9
103.05490	0.8
105.04522	1.1
105.07047	8.1
107.04962	100.0
107.08604	7.6
108.05342	1.0
109.02895	2.6
109.06538	1.4
109.10149	5.9
111.04449	2.5
111.08073	1.2
115.03935	1.1
115.05460	1.4
117.07040	3.7
119.04895	0.8
119.08596	5.8
121.06524	4.9
121.10159	5.4
123.04431	0.9
123.08091	1.3
123.11735	2.3
125.09659	1.4
127.03912	3.3
128.06238	1.8
129.07031	2.7
131.04939	6.2
131.08578	7.1
133.06493	10.0
133.09285	0.8
133.10126	4.7
135.08104	1.5
135.11703	3.5
136.06192	12.2
137.06526	1.7
141.07004	2.0
142.07872	0.8
143.08592	3.4
144.05721	2.8
145.04903	1.8
145.05150	1.2
145.06493	16.9
145.10117	3.7
147.08064	4.4
147.11728	2.1
149.05974	6.6
149.09569	1.6
149.13264	2.4
151.35814	0.8
153.07034	1.5
155.06017	1.2
155.08522	1.2
157.06496	17.3
157.10158	1.3
158.07310	1.3
159.08069	8.3
159.11667	2.7
161.09648	2.6
161.13167	1.6
163.14830	0.9
165.06979	1.7
167.08493	1.1
169.06490	3.8
169.10091	1.7
170.07233	0.8
171.08066	10.8
171.11693	1.2
173.05998	6.7
173.09631	5.7
173.13254	1.1
174.88892	0.7
175.11211	2.4
175.14861	1.6
179.08624	1.5
179.14307	1.8
181.06487	3.4
181.10132	1.0
182.07271	0.9
183.08070	8.1
183.11612	0.8
184.08804	0.9
185.06032	1.2
185.09621	7.4
185.13341	0.8
187.11244	4.7
187.14740	0.8
194.07286	1.1
195.08043	4.9
196.08687	1.0
197.06033	2.4
197.09604	5.6
198.97440	1.2
199.07536	1.1
199.11205	5.7
201.12854	3.6
207.08070	1.2
209.09653	3.3
211.07541	1.1
211.11082	3.4
213.08989	0.9
213.12709	3.7
215.14369	2.7
221.09714	1.7
221.13373	0.8
223.07521	1.4
223.11176	2.6
225.12708	3.6
227.14326	3.2
229.16054	1.4
235.11221	1.3
237.09195	0.9
237.12799	2.0
239.14435	2.3
247.11169	1.0
249.12744	0.9
251.14366	1.8
253.16042	0.9
255.17496	0.8
259.20590	1.5
261.22134	2.8
265.15887	1.3
277.16177	0.7
283.16898	1.0
291.23422	0.9
293.18851	0.9
297.18469	1.3
299.20035	0.8
303.23389	1.1
309.18475	0.8
311.20187	0.9
339.23224	1.7
349.25156	1.3
365.24933	5.0
367.26291	14.5
369.24268	1.9
377.24796	0.8
379.26431	1.5
383.25803	1.4
385.27432	2.0
387.25488	2.1
389.24683	0.7
391.26273	5.6
395.25604	1.0
405.26593	2.2
407.25778	1.0
409.27274	2.6
415.26324	0.9
421.27292	1.5
423.27527	1.2
433.27429	4.3
457.27356	2.2
475.28384	7.0
493.29752	6.3
511.30411	5.1
529.31665	8.5
529.38879	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	529.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.65435	0.3
55.05517	2.7
57.03451	1.5
57.07074	0.5
60.71804	0.3
63.02358	0.5
65.03940	0.7
67.05508	10.2
69.03431	0.7
69.07073	2.1
69.61987	0.7
69.62391	1.4
71.05009	0.4
71.36723	0.3
79.05500	4.8
81.03422	0.9
81.07060	9.4
83.08620	0.9
85.02905	0.9
85.06506	0.4
89.03917	6.8
91.05487	3.9
93.07043	4.8
95.04954	1.1
95.08607	6.3
97.02895	1.1
97.06568	0.6
97.10177	0.4
98.21493	0.5
103.05457	0.3
104.07144	0.3
105.07040	2.8
106.04227	0.4
107.04955	4.7
107.08598	2.9
109.10159	1.8
113.96064	0.3
117.03387	17.2
117.07008	0.9
119.08576	2.2
121.06493	0.5
121.10140	1.7
123.08097	0.4
123.11707	0.4
129.07021	0.5
131.04932	0.6
131.08612	1.9
133.06487	1.1
133.10136	1.4
134.03625	1.2
135.04405	1.1
135.08075	0.4
135.11682	1.1
141.06987	0.4
143.08543	0.4
144.05682	0.4
145.02850	43.3
145.06522	1.9
145.10139	0.9
147.08058	0.5
147.11674	0.6
149.06003	5.4
149.13245	0.9
157.06493	1.4
159.08003	0.9
159.11702	1.1
161.09639	0.6
161.13304	0.6
162.03152	0.4
163.03920	0.5
169.10228	0.3
171.08101	1.0
173.09610	0.8
173.13264	0.6
177.05476	100.0
178.05780	0.6
185.09557	0.4
186.05530	2.0
187.11221	0.7
187.14868	0.5
195.06505	0.7
198.97438	1.7
199.11171	0.7
225.12881	0.4
227.10677	0.6
245.08156	0.5
251.09187	0.6
367.26459	1.9
385.27423	0.4
391.26367	0.5
399.15820	0.4
437.34476	0.6
475.28015	0.4
493.29324	0.5
497.15942	0.3
511.30487	0.5
529.24408	0.6
529.31549	2.8
529.38574	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	529.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64557	1.6
53.03939	6.5
53.47465	1.5
55.01872	2.3
55.05511	11.2
55.49624	1.6
57.03438	3.9
57.07057	2.1
61.02923	2.7
61.07391	1.2
65.03934	3.7
67.05505	22.4
69.03431	20.6
69.07079	11.8
69.22457	1.6
71.04992	4.3
71.48622	2.5
73.69759	1.4
79.05493	14.7
80.93646	1.4
81.03422	16.6
81.07063	24.5
83.04988	2.3
83.08615	5.6
85.02905	20.5
85.06557	2.5
89.03925	1.8
91.05478	15.1
93.07054	15.1
95.04958	4.6
95.08612	19.3
97.02894	38.9
97.06555	1.4
97.10165	4.6
99.04449	6.4
103.03938	1.8
103.05396	2.0
105.07026	13.2
107.04957	100.0
107.08604	9.1
108.05262	1.5
109.02895	4.9
109.10158	7.7
111.04454	2.0
111.08092	2.6
115.05441	1.7
117.03378	5.7
117.05457	1.8
117.06250	1.7
117.07022	5.8
119.08604	8.6
121.06553	7.2
121.10155	9.0
123.08080	2.8
123.11712	2.8
127.03900	6.8
128.06226	2.3
129.07004	6.5
130.00748	1.9
131.04918	6.5
131.08563	10.1
133.06506	21.4
133.10161	7.6
135.04408	1.6
135.08089	1.9
135.11711	5.1
141.06984	3.5
143.08583	4.5
144.05693	4.8
145.02846	13.4
145.04956	16.6
145.06487	38.4
145.10146	5.7
147.08078	7.8
147.11711	4.1
149.05963	7.3
149.13234	3.0
155.06073	2.9
157.06497	40.5
157.10168	2.3
158.07355	1.8
159.08073	20.0
159.11714	4.7
161.09630	9.1
161.13344	2.4
165.06999	2.1
169.06490	5.0
169.10124	3.0
170.07346	1.7
171.08049	19.9
172.08617	1.7
173.05991	4.9
173.09618	10.4
175.11235	3.3
177.05481	38.7
181.06473	4.2
181.10152	2.4
183.08028	10.4
185.09642	15.0
185.13310	2.5
187.11191	8.3
195.08092	5.5
197.06010	2.0
197.09651	8.6
197.13316	2.2
198.97472	7.1
199.07449	2.0
199.11197	11.9
201.12810	9.9
207.08011	2.0
209.09566	3.7
211.07463	1.8
211.11197	5.2
213.12700	6.2
215.14320	3.4
221.09515	1.8
223.11252	3.3
225.12764	5.5
227.10844	2.2
227.14285	6.4
237.12857	1.7
239.14339	4.7
241.15904	3.7
255.17474	2.3
261.22147	4.3
283.09833	1.9
283.16852	2.0
297.18491	3.3
325.21561	2.4
365.24542	8.9
367.26312	50.7
383.25940	2.0
385.27179	9.3
391.26303	6.6
421.27182	3.4
433.27490	4.6
451.94644	1.6
457.27228	2.2
463.28461	2.8
475.28473	7.4
493.29446	8.5
511.30521	9.0
529.24585	2.9
529.31500	21.7
529.38623	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	529.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01876	4.0
55.05505	16.6
57.03428	6.5
57.07060	10.5
65.03909	2.9
67.05180	4.6
67.05508	61.7
69.07073	22.2
71.04945	3.5
71.08633	21.2
71.49297	4.2
75.23119	3.4
76.70995	3.4
77.03954	3.3
79.05491	42.6
81.03407	8.3
81.07056	61.6
83.08614	12.6
85.06525	7.2
89.06013	3.6
91.05488	36.2
93.07044	50.1
95.04972	6.8
95.08614	37.7
97.02869	3.7
97.06537	7.0
99.08093	16.5
105.07043	30.4
107.04957	98.9
107.08600	31.1
109.06528	19.9
109.10160	19.4
117.07010	13.0
119.08569	25.2
121.06495	7.0
121.10143	16.5
123.08092	22.2
123.11659	8.4
123.97684	3.1
128.06230	4.3
129.06972	8.3
131.08556	24.9
133.06474	11.6
133.10159	21.3
134.85162	3.5
135.08098	5.0
135.11674	11.6
143.08539	6.4
145.06468	6.8
145.10168	15.3
147.08063	5.8
147.11665	14.3
149.13255	9.0
155.08554	5.2
157.06470	5.8
157.10135	7.8
159.08066	7.4
159.11684	15.4
161.13228	6.7
171.08096	8.3
171.11638	6.3
173.09642	4.4
173.11810	14.8
173.13133	5.3
177.12805	3.4
179.14302	90.9
185.09622	5.9
185.13239	4.6
187.11214	4.7
187.14745	4.8
193.15901	4.3
195.13783	4.1
197.09581	4.4
214.09871	13.8
227.10690	44.1
253.14503	5.9
256.26321	11.3
271.16968	32.6
284.17706	8.4
285.18448	9.8
331.26028	3.8
339.23184	30.3
349.25919	2.9
413.27060	5.8
423.31088	8.2
435.30780	3.9
437.30377	11.2
483.19214	3.4
501.36066	4.1
511.34103	5.3
529.35376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
53.03938	7.3
55.01870	2.6
55.05266	1.9
55.05512	20.3
57.03432	5.2
57.07077	3.3
64.11171	1.2
65.03926	3.9
67.05505	74.7
69.03436	3.2
69.07072	24.3
69.92933	5.5
71.04993	5.0
77.03935	1.7
79.05498	54.2
81.03416	5.6
81.07058	78.1
83.04981	6.6
83.08626	13.9
85.02916	1.5
85.06547	3.7
91.05488	35.7
93.07047	71.3
95.04964	7.0
95.08607	42.0
97.06551	9.7
97.10179	3.6
99.04424	2.3
99.08118	1.7
99.25935	1.5
105.04544	2.6
105.07040	23.5
107.04962	22.8
107.08587	34.0
109.06539	2.6
109.10155	11.5
110.19969	1.2
111.08102	4.3
117.07040	13.5
119.08593	16.8
121.06517	2.7
121.10144	27.4
123.08112	2.6
123.11735	4.5
125.09641	1.8
129.07031	4.5
131.04979	2.1
131.08574	21.5
133.06523	2.1
133.10136	12.7
135.08112	1.7
135.11694	16.2
141.06987	1.6
143.08575	5.2
145.06537	3.9
145.10130	10.1
147.08052	1.8
147.11684	7.9
149.13260	27.3
155.08603	2.3
157.06522	4.8
157.10149	5.5
159.11691	13.8
161.13307	4.6
163.14803	2.2
169.10091	2.4
171.08081	3.1
171.11725	5.0
173.05975	1.4
173.09573	1.4
173.13298	6.9
175.14848	2.9
177.12740	3.7
181.10167	1.6
183.08237	1.8
183.11719	3.3
185.13350	3.5
187.14868	3.3
195.13814	7.5
197.13283	1.6
199.14761	1.7
213.16429	1.6
215.17929	1.8
256.26431	3.2
261.22055	6.8
297.14929	1.2
367.26379	5.3
391.26447	2.0
423.31165	2.1
437.34171	5.6
455.35382	2.3
475.28342	2.0
493.30267	2.0
511.37973	3.4
529.38953	100.0
530.39276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.03949	5.2
53.47818	0.7
53.49209	0.8
55.01869	2.6
55.05511	17.3
57.03448	4.6
57.07078	3.5
65.03943	4.8
67.05507	62.3
68.56154	0.7
69.03435	0.8
69.07070	21.5
71.04996	2.8
72.59605	0.9
76.16372	0.7
77.03918	1.4
79.05496	49.6
81.03417	1.8
81.07059	72.1
83.04976	4.4
83.08620	9.7
85.06564	2.3
91.04908	1.6
91.05484	32.4
93.07047	60.5
95.04980	5.5
95.08608	35.3
96.50250	0.8
97.06545	8.7
97.10153	2.3
99.08112	1.8
105.04523	2.2
105.07030	18.7
107.08600	30.8
109.06532	1.7
109.10163	10.6
111.08089	3.8
115.05487	1.0
117.07032	12.3
119.06101	1.1
119.08583	15.4
121.06499	1.1
121.10143	22.5
123.08061	1.9
123.11713	3.5
125.09640	1.1
129.06995	3.3
130.07767	0.9
131.08571	17.0
133.10147	12.9
135.08076	1.5
135.11696	13.8
137.13263	0.9
139.11151	1.7
141.07001	1.0
143.08572	4.1
144.09312	0.8
145.10127	12.1
147.11719	6.6
149.13274	23.7
151.11227	0.9
155.08569	2.0
157.10123	3.0
159.11710	15.3
161.13248	3.8
163.14845	1.6
169.10176	2.8
171.11674	4.4
173.13264	7.1
175.14838	1.8
177.12747	3.9
183.11745	2.4
185.13303	2.4
187.14804	2.5
195.12077	1.1
195.13748	5.0
197.13348	1.0
199.14873	2.7
201.16505	1.3
209.13272	0.9
211.14819	1.8
225.16429	1.2
243.21234	1.2
261.22144	6.6
299.23758	1.5
311.23764	0.9
313.25388	0.9
419.33060	1.7
437.34155	7.9
455.35141	2.3
473.36398	1.8
511.37817	2.8
529.38922	100.0
530.39307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03949	5.0
55.01871	1.5
55.05514	23.4
57.03434	3.5
57.07077	5.1
65.03946	2.1
67.05508	56.3
69.07071	20.6
70.06578	1.2
70.46404	2.1
70.46767	1.7
71.05001	3.3
71.08630	0.9
72.65318	0.8
79.05497	46.9
79.45345	0.9
81.03397	2.5
81.07057	64.2
83.04980	4.4
83.08626	11.8
85.06544	3.7
86.27631	0.9
91.05487	35.6
93.07048	51.5
95.04965	5.7
95.08610	33.8
95.09074	0.5
97.06541	6.1
97.10168	4.1
98.21455	0.8
99.08083	1.8
103.05496	1.2
105.04509	1.4
105.07037	23.8
107.04960	1.5
107.07881	1.9
107.08599	29.4
109.06542	2.6
109.10160	11.1
111.08086	3.1
111.11679	1.3
115.05442	1.9
117.07024	13.8
119.08601	13.6
121.10152	19.0
123.08051	1.3
123.11697	3.7
125.09603	1.8
128.06294	1.2
129.07018	5.7
131.08580	21.5
133.10127	16.1
135.08084	1.3
135.11700	11.7
137.13249	1.5
141.06979	1.8
142.07710	0.9
143.08586	6.7
145.10129	14.1
147.11679	7.0
149.13268	16.8
155.08580	3.0
157.10127	5.8
159.11696	15.1
159.12918	1.6
161.13206	4.3
163.14857	1.2
167.08469	1.3
169.10153	2.6
171.11629	5.4
173.13274	6.6
175.14865	3.3
177.12730	3.5
181.10107	2.1
183.11729	1.7
185.13229	5.2
187.14877	2.4
195.11870	1.4
195.13867	7.9
197.13388	1.5
199.14830	3.2
201.16386	2.1
209.13278	1.8
213.16490	1.4
215.17993	1.4
223.14626	0.9
225.16553	1.2
228.23088	1.1
228.28371	0.9
241.19617	1.1
243.21158	1.2
261.22043	4.3
299.23755	1.2
311.29193	1.1
312.29794	1.3
317.24814	1.2
341.24936	0.9
419.33255	2.6
437.34064	9.2
455.35199	4.2
473.36377	1.9
511.37836	4.4
528.49365	1.0
529.38904	100.0
529.50006	6.8
530.39056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01863	4.2
55.05517	22.3
57.03444	6.6
57.07071	5.0
59.63609	1.2
59.71659	1.2
65.03937	3.9
67.05509	70.8
69.07073	22.5
71.05000	3.1
71.08625	1.4
79.05498	54.8
81.03425	1.7
81.07059	74.9
83.04983	4.4
83.08625	14.7
85.06538	3.7
87.04452	2.0
91.04917	1.8
91.05483	35.1
91.06026	2.5
93.07048	72.9
95.04983	6.7
95.08611	36.9
97.06550	7.8
97.10172	3.2
99.08144	2.3
105.04541	2.9
105.07040	23.4
107.04975	2.7
107.08607	35.9
109.06518	2.1
109.10147	12.4
111.08131	3.5
117.07015	14.5
119.08578	18.8
121.10142	29.8
123.11720	3.9
125.09650	1.8
129.07027	4.1
131.08568	21.0
133.10152	14.5
135.08115	2.2
135.11703	13.8
143.08600	5.9
145.10121	13.0
147.11688	9.1
149.13272	26.4
155.08554	3.8
157.10144	6.7
159.11703	19.9
161.13300	4.3
169.10101	2.4
171.11737	4.4
173.13268	5.2
175.14795	2.6
177.12762	5.9
183.11740	2.6
185.13277	3.5
187.14871	4.2
191.37177	1.6
195.13812	7.3
195.63779	1.3
199.14844	3.4
201.16379	1.8
211.14835	2.3
213.14856	1.6
261.22205	6.0
317.24689	3.5
395.64865	1.6
419.33542	2.7
437.34338	7.3
455.35120	3.9
511.37738	3.3
529.38922	100.0
530.38995	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	530.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91614	12.8
67.05505	31.2
69.03422	42.4
69.07089	16.3
69.56875	98.5
79.76384	12.7
81.07045	15.8
81.46185	12.7
83.22680	14.7
84.41922	14.1
87.04506	18.9
91.05494	17.3
93.07014	19.5
95.04961	38.7
95.08605	34.1
98.20829	17.8
105.06993	26.1
107.08583	19.3
109.10128	14.3
119.08591	22.0
121.10117	18.8
133.10097	22.0
136.51997	16.1
159.11653	26.8
161.13235	23.0
183.11853	14.4
226.39523	16.2
227.17970	15.1
295.24115	21.8
313.25201	51.6
363.26425	19.7
381.27954	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	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.3
55.01856	14.3
55.05495	27.7
55.78885	7.9
57.03421	22.9
59.87515	7.9
60.87766	7.6
61.02943	9.6
62.25965	8.2
66.18386	7.5
67.05511	71.1
69.03424	18.4
69.07057	34.5
69.32740	26.7
69.33162	40.1
70.06576	9.0
71.04981	8.4
71.08636	12.2
79.05491	60.8
81.03368	14.2
81.07056	79.8
81.93555	8.0
83.04982	21.2
85.02900	15.0
91.05495	54.7
93.07058	54.2
95.05000	10.8
95.08612	50.2
97.02886	21.8
97.06522	18.7
99.08080	13.5
105.07036	49.8
107.05004	16.4
107.08588	48.3
109.10163	30.7
117.07024	14.9
119.08575	42.2
121.10136	29.6
123.08090	9.7
129.07010	13.1
131.08559	25.0
133.10126	26.1
135.11691	26.0
141.09003	7.0
145.10126	24.2
147.11676	26.4
149.13341	14.8
159.11674	19.5
161.13245	19.8
163.14922	9.2
171.11746	11.2
173.13188	13.9
175.39442	7.3
179.14304	27.8
211.07269	7.9
241.19440	10.6
259.20584	18.2
277.21637	58.1
286.17523	8.5
351.25357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
54.11842	1.3
55.01883	11.2
55.02109	1.8
55.05515	54.3
57.03434	5.2
57.07072	1.5
59.05319	1.5
60.25645	1.5
61.02932	20.5
63.56544	1.4
65.03951	2.2
67.05509	41.4
69.03435	9.0
69.07071	19.5
69.24297	3.4
69.24712	10.5
70.06627	3.1
71.04997	4.7
71.37125	1.5
73.02927	8.1
79.05494	20.4
81.03416	15.4
81.07062	41.6
83.04974	8.3
83.08624	59.6
85.02913	18.4
85.06546	3.3
90.15654	1.6
91.03968	5.6
91.05488	30.3
93.07050	25.4
95.04969	7.8
95.08614	23.7
97.02890	12.0
97.06534	7.0
97.10181	6.5
99.04464	2.6
99.08100	2.3
103.05460	1.9
105.07037	20.2
107.04962	8.5
107.08592	17.0
109.02866	7.0
109.06516	6.3
109.10164	8.7
111.04420	2.0
111.08089	19.0
113.09690	1.7
117.07061	3.9
119.08588	16.5
121.06522	2.4
121.10151	14.6
123.08070	3.9
123.11697	2.5
125.09662	2.6
127.03887	7.3
127.11115	1.6
129.07008	3.6
129.09119	2.5
131.04893	2.4
131.08585	8.9
133.06546	1.7
133.10143	24.7
135.08040	1.6
135.11688	8.3
137.06087	2.8
137.09601	2.0
139.11208	11.0
142.07753	1.5
145.10143	5.6
147.11716	16.4
149.09654	8.4
149.13269	21.1
151.11206	7.4
157.10159	6.8
159.11708	6.1
161.13304	4.6
163.11153	2.1
165.12741	10.4
167.14326	4.2
171.11708	3.8
173.13295	4.4
175.11182	4.0
175.14796	2.7
177.12782	2.5
181.12183	2.0
185.13272	3.5
199.14825	1.5
215.08510	1.8
221.15378	3.5
241.19560	5.8
247.24176	1.9
259.20514	11.5
265.25333	6.9
275.19986	1.7
277.21643	61.1
278.21967	1.8
295.22656	2.0
301.21750	1.6
308.12637	1.6
308.19797	1.6
343.00201	1.4
351.25302	100.0
352.25494	2.0
369.26364	15.7
393.26355	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03946	1.9
55.05514	1.8
57.03440	0.4
57.07064	0.6
67.05508	3.5
69.07076	1.9
69.14984	2.3
69.15392	0.4
71.04977	0.4
71.08633	0.5
74.50230	0.2
77.03905	0.4
77.31561	0.3
79.05492	3.0
81.03409	0.9
81.07055	4.1
83.05003	0.3
83.08626	1.6
84.16817	0.3
84.28649	0.2
87.04465	0.6
91.05485	1.7
93.07042	2.9
95.04971	2.1
95.08610	3.6
97.06538	0.6
97.10194	0.6
99.08147	0.3
105.00099	0.6
105.04510	0.7
105.07030	1.6
107.04958	100.0
107.08592	2.5
108.05331	0.5
109.06525	0.3
109.10173	1.3
111.08090	0.7
117.07041	0.5
119.08582	1.7
121.10153	2.1
123.08071	2.3
123.11686	0.4
131.08562	0.5
133.10167	1.5
135.11703	1.4
145.10138	0.7
147.11707	0.6
149.13280	0.7
157.10179	0.4
159.11690	0.7
161.13237	0.5
163.14859	0.5
165.16388	0.2
167.14290	0.5
171.06631	0.2
171.11751	0.4
179.14290	3.0
193.12283	0.5
277.21616	1.4
333.27902	6.6
335.26163	0.3
351.28873	1.6
407.31763	0.3
423.31036	2.2
425.32626	26.8
426.33020	0.6
471.30753	0.4
513.36017	0.4
531.38556	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	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03941	1.7
54.12100	0.2
55.01864	0.4
55.05505	1.4
57.03430	0.4
57.07063	0.9
65.03916	0.3
67.05504	2.5
69.03427	0.2
69.07068	2.1
69.14459	0.2
70.10602	0.9
71.04994	0.5
71.08628	0.4
77.03928	0.4
79.05489	3.6
81.03423	0.4
81.07052	3.8
81.07529	0.3
83.08623	1.4
85.06532	0.4
87.04452	0.3
89.70802	0.2
91.05494	1.7
93.07041	2.6
95.04958	1.9
95.08606	2.9
97.02899	0.3
97.06498	0.5
97.10159	0.6
105.04510	0.9
105.07024	1.5
107.04952	100.0
107.08585	2.8
108.05277	0.6
109.06513	0.8
109.10146	2.3
111.08091	0.6
112.65910	0.2
113.05991	0.2
117.07036	0.3
119.08579	1.1
121.10143	1.6
123.08058	2.3
123.11700	0.9
125.94898	0.2
131.04938	0.6
131.08574	0.5
133.06500	1.4
133.10138	1.8
135.11671	0.9
137.09659	0.5
141.06898	0.2
145.06468	0.6
145.10138	0.4
147.08008	0.6
147.11655	0.2
149.13278	0.7
151.11192	0.9
157.06480	0.6
159.08029	0.5
159.11742	0.2
161.13307	0.4
161.35651	0.2
163.14868	0.3
167.14351	0.6
171.08067	0.5
173.09566	0.3
177.05482	0.5
179.14319	2.3
217.45108	0.2
253.14323	1.3
261.22205	0.5
273.18405	0.5
277.21643	0.9
333.27853	6.8
351.29053	1.4
369.27927	0.7
407.31674	0.5
423.30939	2.2
425.32602	25.0
426.32715	0.6
448.14838	0.2
457.33170	0.2
531.37268	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	531.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32235	1.5
53.03943	3.4
55.01859	3.7
55.05507	18.3
57.03419	3.3
57.07074	9.6
65.03916	4.4
67.05502	87.3
69.07063	24.8
69.90529	7.4
71.04965	2.5
71.08610	5.8
73.02914	1.4
77.00628	1.7
79.05492	37.8
81.07053	100.0
83.04961	4.9
83.08614	15.7
85.06521	4.1
85.10163	1.7
87.04438	6.2
91.05476	25.9
93.07041	49.7
95.04946	5.1
95.08607	59.5
97.06504	6.4
97.10151	4.8
99.08085	2.8
105.00110	9.3
105.00658	1.4
105.04551	1.5
105.07032	22.4
107.04941	7.6
107.07991	2.4
107.08599	28.8
109.06483	2.3
109.10155	20.9
111.08074	3.9
117.06976	6.9
119.08578	15.7
121.10133	19.8
123.08051	2.0
123.11737	11.0
127.00652	1.6
131.08548	9.0
133.10104	13.0
135.11659	11.5
136.48012	1.7
137.13243	5.6
144.09273	1.8
145.10078	6.4
147.11678	9.2
149.12071	2.0
149.13243	24.5
157.10143	4.8
159.11691	13.5
161.13255	6.6
163.14827	3.7
164.10240	1.6
169.10199	1.8
171.11676	3.0
173.13254	5.7
175.14793	7.4
177.12698	4.7
187.14815	3.6
195.13802	8.2
195.94615	1.6
197.13199	2.0
199.14796	2.9
201.16389	3.1
213.16559	2.0
215.17966	1.8
245.22624	2.5
250.29800	1.8
259.92947	1.8
263.23651	5.5
267.20871	1.9
312.71454	1.8
425.32416	2.7
531.40100	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	531.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99948	1.4
53.03946	5.3
54.56087	1.9
55.01875	2.6
55.05517	22.5
57.03435	5.2
57.07077	6.9
65.03938	2.8
67.05507	91.3
68.05831	2.0
69.07072	27.0
71.05003	2.9
71.08634	3.0
71.49233	1.9
73.02931	4.2
79.05498	36.0
81.03414	2.8
81.07059	100.0
83.04996	3.1
83.08616	15.5
85.06555	5.1
87.04483	6.2
91.05489	24.1
92.55446	1.6
93.07046	47.7
95.05005	4.6
95.08611	52.0
97.06520	8.1
97.10190	6.5
99.08077	3.0
105.00116	5.9
105.07037	16.4
107.04977	3.1
107.08598	26.5
109.10165	19.3
111.08105	5.9
111.11788	2.4
117.07055	6.2
119.08588	10.7
121.10134	23.5
122.87803	1.6
123.11698	10.2
125.09618	2.1
131.08615	7.5
133.10136	17.8
133.10994	1.9
135.11668	9.6
137.13295	3.4
145.10184	4.4
147.11746	6.0
149.13268	25.2
149.14406	2.2
151.11192	1.8
151.14789	2.6
157.10162	3.5
159.11729	12.1
161.13338	5.0
165.16261	1.7
175.14853	3.4
177.12831	4.8
178.61909	1.8
187.15005	1.8
195.13858	5.9
232.51268	2.1
245.22710	3.0
263.23813	6.2
273.36731	1.7
439.36035	2.3
531.40637	67.4
532.40869	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	532.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43137	0.5
52.37787	0.5
53.03932	0.6
53.94318	0.5
55.01860	2.2
60.17163	0.5
65.25189	0.5
67.05512	3.1
69.03420	0.9
69.06731	0.9
69.07074	11.3
69.73724	1.5
69.74117	0.9
75.38800	0.5
77.03954	0.6
79.05501	8.5
81.07059	1.2
93.07028	1.1
95.04991	0.8
97.06535	100.0
105.03390	1.1
105.07040	0.8
107.04952	6.7
107.08592	0.9
113.09600	0.5
117.91493	0.5
119.08527	0.5
123.04434	39.0
219.10172	79.1
220.10658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21977	0.5
55.05518	5.8
56.05031	2.6
57.05823	0.9
57.63784	0.5
58.04088	0.5
58.06606	0.5
67.05505	0.8
69.03452	0.5
69.07063	3.5
69.28777	4.6
70.06596	5.4
70.35812	0.5
72.08160	80.6
74.06090	4.7
78.47610	0.5
81.03391	0.8
84.04509	1.3
84.08132	2.4
86.06060	1.1
86.09711	100.0
95.04983	0.5
97.02938	0.5
98.21520	0.9
101.07148	1.4
107.04959	7.7
110.07197	0.7
112.03957	2.3
125.10758	2.1
127.12281	0.6
128.10722	1.4
129.06609	0.7
129.10237	1.8
136.07608	0.6
138.09067	0.7
142.12286	6.7
152.10716	4.3
155.11885	0.7
169.13333	1.6
171.07639	0.8
173.12874	7.3
183.11353	0.9
185.16508	11.4
187.14417	7.7
191.14240	0.8
194.59618	0.5
197.12874	25.0
201.12381	3.4
213.15984	10.9
215.13928	10.0
216.61943	0.5
217.08197	1.6
219.13394	6.5
227.17474	0.7
251.17542	1.5
268.20193	1.2
286.14059	0.6
296.19705	39.4
300.19263	0.8
303.20313	0.6
314.20761	14.8
318.20111	2.1
322.17535	0.5
330.16632	3.0
382.26907	0.6
399.29721	6.7
409.27792	0.8
427.29233	4.4
532.21722	1.2
533.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.7
57.19958	4.6
67.05506	64.3
69.07061	8.9
70.18974	16.1
79.05502	37.5
81.06673	5.7
81.07065	75.8
83.08582	7.0
90.07314	4.1
91.05460	18.8
91.44373	4.5
93.07050	44.2
95.08605	52.6
98.21480	5.5
105.07012	9.4
107.08592	26.2
109.10152	30.4
117.06963	6.9
119.08573	13.2
121.10152	35.4
123.11696	15.9
131.08569	17.7
133.10146	13.6
135.11699	28.0
137.13290	6.3
145.10109	11.7
147.11717	8.8
149.13229	13.5
159.11684	7.6
161.13290	7.9
163.14803	13.2
165.12682	5.6
173.13251	11.8
177.16490	6.4
187.14864	11.2
201.16388	5.0
201.22067	4.4
243.21037	37.1
258.30267	4.6
261.22131	100.0
275.24957	4.5
335.25909	24.5
352.15439	4.2
353.26761	24.8
456.42987	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	532.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73681	13.2
55.05507	53.3
55.30097	13.9
57.07078	20.0
59.66627	14.1
64.11069	14.8
67.05508	90.1
67.67400	12.5
69.03423	43.7
69.07059	21.6
69.62077	93.9
79.05486	49.4
81.07054	100.0
83.08608	19.8
87.04469	20.5
91.05470	52.1
93.07011	68.6
95.04975	34.3
95.08607	86.4
105.07012	53.6
107.04952	99.2
107.08570	58.3
108.05308	21.4
109.10142	61.6
111.73526	15.1
119.08566	67.6
121.10110	39.7
123.11706	28.1
131.08595	34.2
133.06474	13.4
133.10132	50.7
135.11700	38.6
143.08571	16.9
145.06509	18.4
145.10135	42.4
147.11664	19.6
149.13269	30.3
157.10156	34.3
159.11713	28.4
161.13264	60.6
163.14763	20.9
171.08072	19.4
171.11697	20.3
175.14787	24.9
229.19536	33.2
243.21078	21.4
257.07672	14.7
261.22168	23.9
297.25745	58.9
315.26660	27.2
365.28308	27.6
383.29276	80.8
425.72156	16.5
426.33127	28.7
532.40283	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01870	2.1
57.03443	2.3
69.03431	7.9
69.72754	6.6
70.06580	3.3
78.04735	2.2
79.05499	8.5
81.03416	2.7
81.07047	2.0
82.95174	1.1
85.02911	12.9
86.09749	1.3
91.05472	4.1
97.02903	4.3
98.79330	1.2
99.04437	1.9
103.05493	2.3
105.07030	7.0
107.04955	22.7
107.05637	1.7
107.08650	1.5
109.02907	2.0
115.05452	5.1
117.07009	2.0
118.04140	1.4
119.08617	1.6
121.06493	1.9
123.04438	5.2
124.05229	4.3
125.05975	1.4
127.03939	2.8
127.21832	1.1
128.06236	3.4
129.07010	4.6
129.10239	1.8
131.04926	2.9
132.05704	2.5
133.06526	5.5
133.10135	5.1
137.05986	1.9
137.09628	3.2
144.05687	1.6
145.06465	1.8
147.04422	2.0
147.08060	3.1
149.01329	1.2
151.03986	1.4
152.04686	3.3
159.08051	5.0
161.06027	6.6
167.07045	100.0
168.05714	1.3
169.06491	1.5
171.08066	1.3
173.09595	1.1
175.07558	33.6
184.05232	1.8
187.07529	14.2
189.06981	1.5
189.09120	1.5
190.07739	1.8
191.07022	10.5
191.14310	5.2
193.08626	14.9
199.07600	11.7
201.09157	2.4
203.08595	4.8
205.06468	1.2
206.07188	1.6
207.08011	1.4
215.08578	3.3
218.07326	3.4
219.07986	1.8
221.09558	2.0
231.08034	4.4
232.08813	2.5
233.09679	4.7
234.06691	1.2
243.07941	1.6
245.05914	1.8
246.06873	1.7
247.07552	2.3
249.09207	5.1
250.10016	1.5
260.08279	2.1
261.09067	6.4
263.07175	2.1
274.06232	1.5
277.08603	2.4
278.09326	3.5
279.10065	1.4
281.11807	4.8
289.08578	6.6
290.09338	1.6
293.11700	3.2
295.09888	1.6
306.08878	2.9
307.09680	2.8
309.11212	4.9
321.11304	13.6
322.12201	3.8
325.14343	1.9
326.11450	2.8
338.11548	2.0
341.13901	14.1
353.13892	20.6
355.15381	1.6
463.98184	1.4
473.41150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	1.2
55.05510	1.6
67.05508	1.6
69.03426	3.6
69.07066	2.1
70.06594	2.5
71.44576	1.1
79.05479	4.1
81.03418	2.5
81.07039	4.0
85.02902	8.6
87.04504	1.6
91.05470	4.1
93.07028	3.0
95.04968	3.0
95.08601	3.0
97.02887	3.3
99.04453	1.3
105.07040	3.4
107.04958	100.0
107.08611	2.9
109.02880	2.8
109.06469	1.5
109.10157	2.7
110.77032	1.1
119.08575	2.6
121.06506	1.3
121.10111	2.1
127.03928	2.5
129.10254	1.3
131.04922	2.5
131.08580	1.3
133.10143	3.1
135.08084	2.2
137.06009	3.0
145.04959	2.6
145.10123	3.0
147.11720	1.7
158.07281	1.6
161.05994	1.5
165.12733	2.1
167.07030	3.7
173.13463	1.0
175.07602	2.2
177.09134	8.0
186.06839	1.7
187.07538	1.6
191.10681	3.9
191.14290	3.6
197.06013	1.6
201.09076	17.6
205.08586	7.5
209.15338	2.5
219.10112	5.8
229.08537	8.9
229.35834	1.3
229.44276	1.2
247.09654	45.8
247.18385	1.1
265.10703	53.5
267.21088	1.2
269.09106	1.2
285.11383	1.8
297.08585	1.4
371.12192	1.7
389.13336	2.5
437.91400	1.2
453.94943	1.3
483.13882	1.3
515.16534	1.8
533.17828	1.5
553.88959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01870	2.1
57.03443	2.3
69.03431	7.9
69.72754	6.6
70.06580	3.3
78.04735	2.2
79.05499	8.5
81.03416	2.7
81.07047	2.0
82.95174	1.1
85.02911	12.9
86.09749	1.3
91.05472	4.1
97.02903	4.3
98.79330	1.2
99.04437	1.9
103.05493	2.3
105.07030	7.0
107.04955	22.7
107.05637	1.7
107.08650	1.5
109.02907	2.0
115.05452	5.1
117.07009	2.0
118.04140	1.4
119.08617	1.6
121.06493	1.9
123.04438	5.2
124.05229	4.3
125.05975	1.4
127.03939	2.8
127.21832	1.1
128.06236	3.4
129.07010	4.6
129.10239	1.8
131.04926	2.9
132.05704	2.5
133.06526	5.5
133.10135	5.1
137.05986	1.9
137.09628	3.2
144.05687	1.6
145.06465	1.8
147.04422	2.0
147.08060	3.1
149.01329	1.2
151.03986	1.4
152.04686	3.3
159.08051	5.0
161.06027	6.6
167.07045	100.0
168.05714	1.3
169.06491	1.5
171.08066	1.3
173.09595	1.1
175.07558	33.6
184.05232	1.8
187.07529	14.2
189.06981	1.5
189.09120	1.5
190.07739	1.8
191.07022	10.5
191.14310	5.2
193.08626	14.9
199.07600	11.7
201.09157	2.4
203.08595	4.8
205.06468	1.2
206.07188	1.6
207.08011	1.4
215.08578	3.3
218.07326	3.4
219.07986	1.8
221.09558	2.0
231.08034	4.4
232.08813	2.5
233.09679	4.7
234.06691	1.2
243.07941	1.6
245.05914	1.8
246.06873	1.7
247.07552	2.3
249.09207	5.1
250.10016	1.5
260.08279	2.1
261.09067	6.4
263.07175	2.1
274.06232	1.5
277.08603	2.4
278.09326	3.5
279.10065	1.4
281.11807	4.8
289.08578	6.6
290.09338	1.6
293.11700	3.2
295.09888	1.6
306.08878	2.9
307.09680	2.8
309.11212	4.9
321.11304	13.6
322.12201	3.8
325.14343	1.9
326.11450	2.8
338.11548	2.0
341.13901	14.1
353.13892	20.6
355.15381	1.6
463.98184	1.4
473.41150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91448	0.6
53.03939	1.2
53.61828	0.6
59.43792	0.6
69.03432	1.4
70.06599	1.3
70.72291	1.6
73.46603	0.7
77.03893	0.8
78.04698	2.3
79.05497	7.7
81.03403	0.6
81.07049	1.5
85.02914	4.0
91.05486	3.3
95.04948	1.4
95.08601	1.1
97.02907	1.1
97.55498	0.7
103.05449	2.8
105.03410	0.8
105.04533	0.7
105.07033	6.4
105.67112	0.6
106.04160	1.9
107.04952	18.6
107.08573	1.3
109.02856	0.9
115.05431	3.1
117.07030	1.4
118.04177	1.2
119.08595	1.7
121.06508	1.8
121.10223	1.0
123.04435	5.9
124.05232	3.9
124.06063	0.7
125.09682	0.7
127.03940	0.7
127.85194	0.6
128.06215	2.4
129.06989	5.1
131.04921	3.6
131.08549	0.8
132.05696	2.3
133.06477	4.4
133.10118	1.2
136.07584	0.8
137.05991	1.5
141.07092	0.6
144.05695	1.0
145.06467	2.2
147.08038	2.3
149.06013	1.4
151.03929	1.5
151.07469	0.7
151.11188	3.9
152.04659	2.8
153.05458	1.5
155.04924	1.0
156.05664	1.2
157.06461	0.8
159.08054	5.1
160.05159	1.6
161.05998	7.4
167.07036	100.0
168.07425	0.8
168.42819	0.7
171.08136	1.0
172.05202	1.8
173.06006	1.1
173.13182	0.9
175.07542	21.8
176.04706	0.9
177.05513	1.5
179.07037	0.9
179.08531	0.9
184.05214	1.0
185.05893	0.9
187.07542	18.7
189.09087	2.3
190.07744	1.4
191.07062	8.2
191.08629	1.6
191.14359	4.5
197.88599	0.7
199.07533	8.7
199.09189	0.9
202.07774	1.1
203.08571	3.8
203.10199	0.7
204.09416	1.1
205.06429	0.8
205.08456	1.1
206.07288	1.6
207.07956	0.9
209.08084	2.7
209.15346	5.8
215.08566	2.3
217.08554	1.2
218.07291	2.0
219.07961	1.9
221.09621	2.7
231.08035	2.2
232.08859	0.8
233.09576	2.7
234.06749	2.5
235.07541	2.0
237.09117	0.7
243.07820	0.9
245.05972	1.0
246.06750	2.0
247.07512	1.3
248.08466	0.9
249.09102	5.7
250.09814	1.0
251.07083	1.2
259.07452	1.1
260.08224	1.6
261.09119	4.6
263.07101	1.4
263.10703	0.8
266.09354	1.4
274.06277	1.3
277.08542	3.1
278.09421	1.5
281.11707	5.2
289.08524	4.8
291.06897	0.8
291.10016	1.3
293.11685	2.4
294.08990	1.2
295.09491	1.0
305.08218	0.9
306.08740	1.2
307.09479	1.6
309.11191	7.1
311.10001	0.8
321.11237	8.8
322.11923	2.1
325.14291	1.3
326.11426	2.1
339.09528	0.8
341.13818	18.8
353.13861	9.7
371.12610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01880	1.3
56.05036	6.0
56.96865	1.0
57.03430	2.6
57.18340	1.1
61.02914	2.3
62.25353	1.0
62.93561	1.1
65.10173	1.0
69.03442	10.1
69.71693	3.0
69.72112	3.0
70.06580	4.2
71.04992	1.1
73.02922	2.0
77.98004	0.9
78.04706	4.1
79.05494	11.7
81.03403	3.3
81.07050	1.5
84.08084	1.1
84.99992	1.2
85.02908	16.8
86.09715	2.7
90.87035	0.9
91.03957	1.2
91.05479	7.0
93.07078	1.2
95.04975	3.7
95.08538	1.5
97.02885	7.9
97.72464	1.0
98.06054	7.9
99.04421	1.1
100.03957	1.1
103.05467	4.8
105.04572	1.3
105.07031	7.5
106.04179	2.0
107.04963	31.2
107.08591	1.5
109.02890	1.8
109.06490	1.5
114.14989	1.0
115.05427	4.3
117.07001	1.4
118.04146	1.9
119.04917	2.4
119.08578	3.4
120.08130	2.2
121.06512	1.7
122.03623	1.2
123.04442	6.6
123.11795	1.3
124.05204	5.0
125.05932	1.2
127.03900	4.1
128.06219	3.3
129.07011	6.0
131.04962	5.9
132.05695	3.4
133.06494	7.0
137.05971	5.2
144.05692	1.4
145.04945	1.9
145.06514	2.6
145.10117	2.1
147.04428	2.6
147.08061	4.4
149.06010	2.0
151.03880	3.2
152.04691	3.4
153.05450	2.2
156.05753	1.5
158.07219	1.2
159.08070	5.0
160.05177	1.7
161.05981	9.3
163.07674	1.1
165.09093	1.6
167.07042	100.0
168.07411	1.2
169.06483	1.6
171.08063	2.1
172.05193	1.6
173.09624	1.6
175.07542	36.8
176.04752	2.5
178.07835	1.4
179.06999	1.3
184.05156	1.3
187.07539	16.9
189.07039	1.5
189.09111	2.2
190.05341	9.1
190.07744	2.0
191.07039	11.0
192.07782	1.2
193.08635	15.4
199.07524	15.1
201.09106	3.8
203.08530	3.8
206.07159	1.5
207.08139	2.9
209.08104	2.0
213.08957	1.5
215.08542	3.2
218.07239	3.7
219.08075	3.4
220.08751	2.1
221.09651	2.5
231.08025	3.3
232.08818	2.6
233.09602	6.7
233.11627	1.6
234.06841	2.8
235.07498	3.7
237.08791	1.2
243.08080	1.5
245.05940	1.6
246.06808	2.9
247.07597	3.0
248.08464	1.7
249.09088	4.8
250.09863	2.0
251.07088	1.5
260.08261	3.3
261.09155	7.1
263.06995	3.2
265.08521	1.4
274.06119	1.9
275.06958	1.7
275.10535	1.6
277.08640	4.6
278.09393	3.2
281.11679	5.0
289.08698	7.6
289.11438	1.5
290.09363	2.0
291.06494	1.9
291.10031	2.1
293.11646	3.8
295.09534	1.1
301.95825	1.2
303.18945	1.2
306.08844	3.5
307.09677	3.2
309.11346	6.9
321.11200	14.0
322.11868	3.0
323.09290	1.8
325.14136	3.0
326.11325	1.7
338.11160	1.7
341.13824	17.7
353.09848	2.0
353.13870	28.4
354.13895	1.5
355.15204	3.0
402.13321	4.9
533.18323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
53.98130	0.9
59.31091	0.9
67.05476	0.9
69.03439	2.6
70.06601	1.5
70.93172	1.8
78.04718	3.0
79.05495	8.3
81.03441	1.8
81.07053	1.3
85.02905	5.2
86.78625	1.0
91.05478	5.7
95.04975	2.4
95.08574	1.6
97.02882	1.9
103.05470	3.7
105.04429	0.9
105.07044	6.7
106.04195	2.1
107.04250	0.9
107.04960	22.2
107.08618	1.6
109.06515	1.2
109.10150	1.6
115.05472	4.2
117.07056	2.2
118.04175	1.3
118.96115	1.0
119.08585	2.7
120.08121	1.6
121.06492	2.4
121.10159	2.5
122.03664	1.4
123.04401	5.9
124.05235	3.7
127.03879	1.2
127.48019	1.0
128.06248	3.8
129.07013	5.6
131.04915	4.5
131.08551	1.5
132.05698	3.1
133.06502	6.4
133.10158	2.0
137.05917	1.9
144.05730	1.7
145.06526	1.2
147.04414	1.2
147.08080	2.3
149.06015	2.1
149.09630	1.1
151.03929	1.5
151.11211	4.6
152.04675	3.2
153.05507	2.3
156.05688	1.1
157.06534	1.1
159.08083	8.7
160.05173	1.9
161.05978	9.1
163.07648	1.0
163.14865	1.2
167.07036	100.0
172.05229	2.8
175.07550	22.1
176.04655	1.7
177.05476	1.2
187.07542	22.2
189.07097	1.0
189.09131	3.3
190.07809	1.4
191.07065	8.8
191.08629	1.7
191.14272	5.7
193.10081	1.1
199.07449	8.5
203.08568	4.0
205.06523	1.0
206.07240	2.0
209.08067	1.6
209.15353	9.9
215.08667	2.3
217.08559	1.3
218.07292	4.0
219.08032	2.8
221.09590	2.9
223.07518	1.4
231.08003	1.9
233.09674	2.5
234.06760	2.9
235.07539	3.1
246.06752	2.3
247.07591	2.1
248.08243	1.0
249.09111	5.1
260.08301	2.2
261.09167	4.3
263.07019	2.2
265.08624	1.8
266.09338	1.9
275.07108	1.3
277.08600	3.1
278.09277	2.2
281.11694	6.2
289.08615	4.8
291.10211	2.3
293.11768	2.7
294.08755	1.9
296.33990	1.0
306.08954	2.3
307.09662	1.7
309.11172	9.0
311.10068	2.8
321.11234	8.4
325.14603	1.9
326.11459	2.0
339.09772	1.8
341.13806	19.8
353.13785	10.8
357.10800	1.1
371.12360	2.0
400.28922	1.1
437.91217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75444	4.6
53.03929	9.0
53.60488	4.4
55.01876	6.2
55.05494	10.0
57.03424	12.3
57.07056	7.5
59.04975	5.7
61.02914	11.3
67.05503	8.7
69.03430	41.1
69.07066	23.8
70.06574	13.4
71.05003	5.6
71.48387	6.4
72.08160	7.0
73.02934	6.8
74.35667	4.0
79.05474	25.0
81.00912	4.7
81.03415	29.4
81.07055	49.8
83.04987	25.8
83.08620	22.3
84.08128	8.4
85.02381	5.1
85.02900	100.0
85.06522	13.4
86.09698	13.4
91.05480	19.3
93.07063	35.2
95.04961	33.1
95.08601	17.6
96.08145	5.7
97.02882	30.9
97.06555	7.5
99.04468	13.1
105.07053	40.6
107.04932	11.7
107.08597	47.5
109.02871	22.0
109.06496	27.3
109.10157	23.1
111.08061	11.2
114.09176	5.7
117.06990	5.5
119.08580	39.0
120.08085	4.9
121.10139	39.4
123.08041	9.0
123.11702	17.6
125.13252	7.8
127.03912	37.4
129.05455	4.4
131.08551	20.5
133.10165	32.2
135.08049	82.7
135.11644	7.3
145.04987	24.4
145.10097	7.1
147.11673	27.7
149.09636	5.7
149.13252	25.9
151.11118	6.3
153.09087	17.6
154.15831	5.2
159.11690	7.0
161.09499	5.7
161.13333	6.8
163.06047	7.0
163.14774	6.0
167.14291	20.3
171.10165	8.9
173.13251	82.7
175.14825	46.4
191.14301	55.9
207.13756	4.9
209.15335	48.9
227.16257	8.6
335.18521	7.6
353.19476	6.7
371.20642	10.9
533.21881	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05538	0.9
57.03426	1.5
57.07066	1.0
61.02939	1.2
61.81914	1.0
65.12698	1.1
69.03427	7.3
69.07059	0.9
70.06604	2.3
70.12981	1.0
71.17812	2.1
73.02913	1.0
76.11058	0.9
79.05486	1.6
81.03421	4.6
81.07055	1.9
83.05002	1.2
84.08128	1.3
85.02915	15.0
86.09701	1.4
91.05499	1.3
93.07034	1.1
95.04955	2.5
95.08613	2.0
97.02891	4.9
105.07048	1.6
107.04960	15.9
107.08593	5.2
108.44591	1.0
109.02884	1.2
109.06509	4.8
109.10162	1.2
110.07167	1.1
112.22374	0.8
119.08588	1.4
121.06465	1.3
121.10172	6.1
123.08075	2.9
123.11726	2.2
127.03908	1.4
127.91826	0.9
133.10139	2.8
135.08083	2.2
135.11688	1.4
136.07635	1.1
137.09628	7.2
137.13254	1.8
145.04945	2.9
147.11676	1.4
149.09657	6.5
149.13266	2.8
151.11182	12.3
165.12756	35.0
167.07048	2.1
173.13252	2.0
175.07532	1.9
187.07469	1.1
191.14313	11.1
193.15840	1.5
209.15378	100.0
210.15648	1.3
277.08774	1.3
312.06607	1.0
321.11038	1.1
371.12820	1.3
371.20483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63354	1.4
53.02200	1.5
53.03945	2.6
55.05498	2.8
67.05486	1.7
69.03426	6.6
69.07070	4.1
70.06579	5.4
71.04999	2.8
71.48316	2.4
71.91335	2.1
72.08140	1.7
79.05489	8.5
81.07056	3.7
83.04976	3.9
83.08568	1.9
85.02893	8.7
91.05460	5.2
93.07039	2.2
95.04987	3.7
95.08601	5.8
97.02870	3.9
97.06523	3.1
99.08056	1.6
103.05453	3.3
105.07057	9.2
106.04165	2.8
107.04950	28.4
107.08601	12.3
109.02898	2.0
109.06464	2.2
109.10149	5.3
115.05451	5.1
117.07034	1.8
119.08591	3.4
120.08101	2.0
121.06463	2.3
121.10123	10.1
123.04447	5.9
124.05215	5.6
125.05916	2.6
125.09621	4.8
127.03878	3.2
128.06203	2.5
129.06972	5.1
131.04941	2.4
131.08534	3.2
132.05699	3.1
133.06514	2.0
133.10121	3.8
135.08052	5.1
135.11688	2.2
137.09624	3.3
137.85533	1.7
139.11127	2.1
147.11641	4.1
149.09618	7.6
149.13266	6.0
151.11179	32.5
152.04665	2.0
153.05368	2.5
159.08076	7.3
161.05978	12.3
163.14851	6.2
165.12752	5.8
167.07037	100.0
172.05228	2.3
173.13275	5.9
175.07512	20.2
187.07523	22.4
189.09166	2.6
191.07040	10.6
191.14323	32.3
192.89749	1.6
199.07426	8.4
203.08508	4.2
205.08667	2.0
209.15375	54.3
215.08534	2.7
218.07281	4.2
219.07986	2.2
221.09578	2.8
231.07928	2.1
233.09778	2.0
235.07533	3.1
237.19685	1.9
241.09831	2.0
249.09161	2.8
255.11464	1.9
257.06042	1.8
261.09137	4.9
263.07092	2.6
266.09293	1.7
277.08542	3.2
281.11703	5.1
289.08542	3.0
293.11710	2.8
306.08707	3.7
307.09848	2.4
309.11227	8.7
311.10062	3.6
321.11243	9.8
326.11472	3.1
341.13797	17.7
353.13867	11.0
423.61261	1.7
427.18533	2.2
533.21198	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41613	0.9
50.64925	0.7
51.24363	0.8
53.03944	3.0
55.01867	3.9
55.05502	1.7
57.03441	7.8
61.02933	10.0
67.05501	1.7
69.03430	29.0
69.07071	8.1
69.42098	6.7
71.04996	4.6
73.02924	4.3
76.48424	0.7
79.05473	2.7
81.03422	10.2
81.07060	2.8
83.01336	1.8
83.04974	1.0
83.08625	1.8
83.76203	0.8
85.02907	95.9
87.04457	3.0
91.03967	5.1
91.05491	2.1
93.07040	2.1
93.65216	0.8
95.04987	5.9
95.08622	4.3
96.83611	0.9
97.02892	35.5
97.06511	3.2
99.04458	5.5
105.07034	4.1
107.04948	1.3
107.08617	4.4
109.02883	10.1
109.06515	5.3
109.10148	1.0
109.42195	0.9
115.03946	1.2
119.08586	3.4
121.06512	3.8
121.10155	3.1
122.07294	3.8
123.08073	17.9
123.11678	1.1
127.03918	24.6
127.04834	1.7
131.08630	1.1
133.10106	5.3
135.08060	29.3
135.11700	3.8
137.09659	1.5
138.10432	0.8
139.07448	1.0
145.04961	40.6
147.11671	2.5
149.09570	1.6
149.13219	1.4
163.06071	6.2
163.14854	1.2
165.12752	18.6
171.06544	2.6
173.13261	1.4
175.14821	5.1
176.12035	5.0
177.12668	1.3
189.07599	3.2
191.14311	100.0
193.15898	13.4
207.13818	3.7
209.15367	15.3
226.50885	0.9
325.11841	0.9
353.19604	2.5
361.73080	1.0
371.20706	10.2
533.25909	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41106	2.6
53.03942	5.2
55.01866	8.1
55.05513	5.9
67.05496	4.4
69.03406	13.7
69.07073	7.6
69.14593	10.3
69.15011	17.3
69.69642	2.9
70.06596	17.2
71.05006	3.0
72.08155	8.8
75.24371	2.7
75.95005	2.6
79.05485	18.1
81.03421	6.1
81.07057	5.2
83.04987	5.5
84.04513	3.6
84.08162	7.8
85.02893	18.5
86.09724	20.1
91.05502	16.0
93.07053	19.4
95.04983	11.2
95.08611	4.0
97.02886	9.4
97.06534	9.7
99.04450	9.3
102.46474	2.8
103.05453	5.1
105.07043	57.9
105.07705	5.8
107.04965	67.4
107.08592	14.3
108.05317	4.7
109.02853	4.2
109.06534	7.0
117.07018	8.5
119.04921	7.2
119.08582	7.6
120.08135	9.1
121.06516	30.6
123.04418	8.8
125.05984	5.6
127.03967	5.4
129.07007	4.6
129.10240	4.7
130.07770	4.8
131.04959	9.1
131.08583	11.9
133.06508	20.2
133.10126	6.2
135.04323	3.0
135.08063	10.9
137.05962	7.0
139.07512	3.6
141.06961	3.6
143.07062	10.1
143.08592	7.5
144.09363	6.5
145.06511	9.4
145.10132	58.1
147.04405	4.0
147.08060	5.4
149.06009	4.8
151.07530	6.1
154.07817	3.4
155.08531	7.3
158.07286	10.1
159.08043	9.7
159.11729	26.8
161.09634	7.2
167.07053	14.5
168.07399	5.8
169.10155	9.1
171.08110	4.1
171.11644	3.2
172.08908	5.0
173.09637	100.0
175.07550	3.1
179.08640	5.2
187.07632	3.8
187.11203	51.9
191.10600	3.2
193.08614	3.0
197.09573	14.2
205.12216	34.8
215.10681	80.8
233.11726	82.5
251.12825	25.9
266.27472	2.9
267.08603	4.7
319.11734	4.4
337.12814	19.7
354.14096	3.8
355.13904	5.7
377.16345	3.1
533.79980	6.6
534.27136	5.1
542.79779	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	534.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01868	2.2
61.02911	2.0
63.93999	1.2
65.16226	1.2
65.16624	1.4
67.05500	3.0
67.37679	1.2
69.03423	5.8
69.07064	2.6
70.06592	2.7
70.15733	5.6
71.04998	2.5
72.08120	1.9
73.02908	1.4
79.05506	12.0
81.03412	2.1
81.07028	2.7
83.04969	3.5
85.02919	8.9
85.06567	1.6
86.09732	2.9
91.05474	11.0
91.91063	1.5
93.07021	7.5
95.04961	5.1
95.08627	1.6
97.02901	4.4
97.06528	6.3
99.04458	5.5
100.71259	1.3
103.05507	2.4
105.06332	1.8
105.07033	36.3
106.06539	2.1
107.04958	14.6
107.08584	5.8
109.06496	2.4
111.04449	1.7
117.07030	5.9
119.04918	2.3
119.08585	7.9
120.08141	1.6
121.06519	11.8
125.05998	5.5
127.03916	2.3
128.06197	2.2
129.07002	3.8
129.10266	1.7
130.07799	2.4
131.04938	3.4
131.08568	10.2
133.06502	11.9
133.10138	3.8
135.04475	1.6
135.08040	3.9
141.06961	2.8
143.07034	10.7
143.08574	3.9
144.09305	1.7
145.06476	4.8
145.10126	57.0
147.04431	1.8
147.07968	3.1
151.07584	2.7
154.07753	2.8
155.08556	5.8
158.07243	8.8
159.08029	7.5
159.11693	21.5
161.09587	4.7
165.09117	8.5
167.07080	9.4
168.07384	5.3
169.10126	5.1
172.08846	3.8
173.09628	100.0
175.07518	3.9
176.07994	1.3
182.07179	2.0
187.11179	26.8
189.12688	3.2
191.10684	5.6
193.08669	1.9
197.09625	4.6
200.07870	1.4
205.12254	40.7
215.10684	44.3
233.11746	40.0
251.12737	11.7
271.75543	1.3
285.67389	1.3
287.05273	6.2
288.05716	7.7
319.11789	2.2
337.12820	9.5
354.14017	2.5
355.14011	1.8
371.12466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69575	1.2
53.03953	1.4
55.01864	2.7
57.03445	1.2
67.05508	2.6
69.03430	15.4
69.07060	4.0
70.06600	1.5
70.10374	5.0
71.04990	3.5
77.79023	1.0
79.05495	6.7
81.03419	2.3
81.07052	3.7
83.04983	3.2
85.02911	6.6
91.05491	7.6
93.07023	2.3
93.78911	1.1
95.04992	3.1
97.02863	3.2
97.06531	4.2
99.04456	5.0
102.95461	1.0
103.05476	1.4
105.07031	62.6
107.04949	6.2
107.08586	5.0
109.06535	3.9
109.10168	1.3
111.04444	1.6
117.07049	8.4
119.04958	2.2
119.08601	3.6
121.06516	8.9
123.08068	1.3
125.06001	3.1
127.03976	1.3
128.06261	1.3
129.07016	3.2
130.07788	4.0
131.08557	11.5
133.06479	10.2
133.10150	5.9
135.08069	2.5
137.05991	1.8
143.07095	1.3
143.08572	5.9
144.09363	3.5
145.06473	4.2
145.10127	96.5
147.08086	1.8
147.11775	1.3
149.05997	1.3
154.07780	3.3
155.08565	3.9
157.10139	1.8
158.07271	7.6
159.08083	7.6
159.11696	34.7
160.87210	1.0
161.09636	9.2
163.07584	1.9
169.10127	8.3
171.08095	1.1
172.08835	3.1
173.08112	2.7
173.09630	53.0
187.11180	32.9
189.12740	6.2
191.10634	3.0
191.14339	2.2
192.14627	3.0
197.09642	7.1
205.10210	1.6
205.12251	87.6
215.10680	100.0
233.11723	45.5
234.12126	1.4
248.68484	1.1
251.12791	6.2
255.57814	1.1
259.14816	1.2
309.13416	2.6
319.11838	5.6
337.09021	1.7
337.12860	15.0
340.25165	1.0
355.13870	4.1
389.23099	1.1
403.53146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61382	5.7
55.05509	14.8
57.03408	5.8
57.07071	9.0
67.05235	5.7
67.05513	55.4
69.07056	22.7
70.18396	24.1
70.67705	7.2
71.08613	9.7
73.12093	5.5
79.05482	22.9
81.07059	100.0
83.08624	13.5
91.05483	14.2
93.07045	15.0
93.09383	6.0
95.08613	79.1
97.10147	13.5
98.20816	7.5
104.33434	5.7
105.06996	9.8
107.08600	14.5
109.10146	29.2
115.09951	6.3
115.12305	6.1
119.08577	10.4
121.10125	20.6
123.11687	8.1
124.55997	5.6
133.10107	15.3
135.11678	12.0
135.72252	5.3
137.13222	7.8
147.11694	8.5
149.13237	7.4
151.14807	7.6
161.13257	11.1
163.14818	10.6
165.16302	7.0
175.14828	11.4
245.22704	50.7
263.23691	65.2
305.74478	5.7
337.27377	33.2
552.80786	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	534.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01890	0.3
55.05516	9.1
56.04794	0.4
56.05042	5.5
57.07077	3.9
58.06580	1.0
60.04530	4.2
65.03950	0.8
67.04232	0.8
67.05509	15.8
68.05020	1.5
69.06694	0.5
69.07074	9.8
70.06596	2.6
70.67242	0.8
70.67568	0.4
71.08630	2.0
77.03916	0.4
79.05499	12.5
80.05029	3.9
81.05817	2.0
81.07062	13.8
82.06585	8.6
83.08622	6.8
85.10180	0.9
86.06055	0.6
91.04915	0.4
91.05489	12.7
93.05804	0.9
93.07054	12.6
94.06575	21.8
94.13199	0.3
95.04963	1.7
95.07356	10.1
95.08615	9.8
96.08144	4.8
97.06500	0.5
97.10188	3.2
97.10753	0.6
98.06058	0.9
100.07608	0.8
105.04519	1.0
105.06403	0.6
105.07039	7.5
106.06538	0.4
107.07343	0.8
107.08597	6.8
108.08124	3.0
109.10166	4.1
111.11703	0.9
117.07077	0.4
119.07807	0.6
119.08582	6.2
120.08107	0.5
121.08851	0.6
121.10156	6.9
122.09671	2.6
123.11689	1.9
131.08604	0.5
133.10139	4.7
134.09650	0.6
135.10519	0.8
135.11690	3.5
136.11201	1.2
137.13271	1.0
142.00969	0.3
147.11676	1.7
149.13235	1.4
151.14836	0.5
161.13263	1.5
163.14828	0.7
165.16368	0.4
175.14830	0.4
191.17882	0.8
193.19566	0.3
196.20662	0.3
202.23653	0.4
205.19577	0.4
217.19473	0.7
219.20958	0.6
233.22725	4.6
234.22188	4.0
245.22668	4.2
248.23729	1.9
250.25311	8.5
252.23332	0.5
254.24713	1.0
260.23761	0.4
262.25314	100.0
263.23495	0.9
272.25885	5.5
280.23328	0.6
280.26392	10.6
436.54333	0.4
504.47787	2.3
516.47821	8.3
534.48773	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	535.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01864	0.6
55.05495	0.5
57.03439	0.6
60.00116	0.4
61.02908	1.2
63.74688	0.4
69.03429	2.4
69.53692	3.0
70.02946	0.7
70.06609	2.6
71.04995	0.5
72.08121	0.8
72.53862	0.5
73.02903	0.6
81.03419	1.5
81.04091	0.5
81.07037	1.2
84.08147	0.9
85.02446	0.6
85.02916	9.2
86.09671	0.9
87.04463	0.5
91.03955	0.5
91.05499	0.6
93.07037	0.5
93.33011	0.4
95.04971	1.0
95.08601	0.7
97.02902	3.5
99.00029	1.5
99.04449	0.7
105.07006	1.2
107.04947	1.5
107.08591	1.3
109.02888	0.8
109.06488	0.6
109.10149	0.5
119.08582	1.1
120.08102	0.6
121.10142	1.1
126.99463	2.2
127.03925	1.9
129.10265	0.7
130.03990	0.6
133.05209	1.5
138.01048	3.8
140.02579	0.7
145.04956	2.7
147.11700	2.3
166.00571	17.5
167.01315	1.5
168.02147	7.9
180.17107	0.5
184.01572	0.5
193.01593	0.9
194.00055	54.2
205.12285	0.9
209.15343	0.6
210.54977	0.5
211.02701	100.0
212.02956	0.6
287.05511	2.5
293.22632	0.5
315.93814	0.5
337.16263	0.6
373.07770	1.1
405.24957	0.5
461.76352	0.5
523.54401	0.5
535.29816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01878	1.0
57.03439	2.1
59.04990	1.4
59.09885	0.5
69.03432	9.3
70.06593	1.5
71.04978	1.2
71.48427	0.6
71.48798	0.8
73.02916	4.9
77.03915	0.8
79.05506	1.5
81.03419	3.6
81.03812	0.5
81.93042	0.6
82.94879	0.5
84.08123	0.7
85.02904	30.4
87.04470	1.3
89.06048	0.6
91.05471	2.0
93.07032	0.7
95.04966	23.1
95.05578	1.2
95.10144	0.5
97.02908	3.1
99.04455	2.9
105.04507	1.0
105.07009	0.8
107.04955	100.0
109.02862	1.1
119.04939	0.5
121.02846	0.9
121.06519	0.7
123.04429	76.0
127.03914	4.4
131.04887	0.9
132.40634	0.6
133.06499	0.7
145.04941	0.7
145.06461	1.2
147.04382	0.8
147.08015	1.6
149.05957	1.7
157.06450	1.0
161.05998	1.1
173.05951	0.7
175.07594	0.9
183.08046	0.8
185.05969	0.6
201.56290	0.6
203.07007	1.2
211.07568	3.2
229.08644	0.9
233.08029	0.9
249.07571	3.4
251.09131	4.0
267.08643	34.3
269.09912	0.7
274.86691	0.7
337.23709	0.6
355.11523	0.7
373.12833	23.2
393.06006	0.6
517.16650	1.1
535.20667	2.5
564.32056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01856	0.9
55.05550	0.8
57.03432	2.1
67.05507	0.9
69.03436	9.4
69.07082	0.9
70.77149	2.1
71.01349	0.7
71.04995	1.3
73.02564	0.8
73.02923	4.3
77.03922	0.8
79.05494	2.0
81.03436	3.9
81.07072	1.6
84.44603	0.7
85.02908	28.7
87.04489	1.1
91.05487	3.0
93.07038	2.4
95.04972	22.3
95.08601	1.7
97.02881	3.7
99.04437	3.5
105.04511	1.5
105.07024	1.1
107.04959	100.0
107.08632	1.3
109.02859	1.6
119.05042	0.8
121.02853	1.3
121.06499	1.3
121.10104	1.4
123.04433	72.9
127.03940	5.0
131.04993	1.0
133.06456	0.8
135.04446	1.1
137.05963	2.3
145.04938	1.6
145.06461	1.2
147.04422	1.2
147.08055	1.6
149.05986	2.4
155.08612	0.8
157.06499	1.5
161.05927	1.1
171.11685	0.8
175.07489	1.1
183.08076	1.1
203.07062	1.0
211.07608	3.1
229.08490	0.8
249.07655	2.6
251.09256	4.7
267.08646	33.9
269.10330	1.0
373.12854	23.4
535.18726	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03945	3.8
55.01881	0.6
57.03442	1.7
66.49348	0.5
69.03430	8.2
69.87083	2.4
71.01350	0.9
71.04984	1.6
73.02914	5.0
77.03947	0.7
79.05489	1.4
81.03419	4.2
85.02908	28.7
87.04467	1.3
91.05470	1.1
95.04973	21.8
97.02911	3.4
98.20783	0.7
99.04464	2.9
105.04515	1.3
107.04959	100.0
109.02872	1.7
117.07048	0.5
119.04964	0.5
121.02820	0.6
123.04432	76.0
125.27453	0.5
127.03923	4.3
131.04926	1.1
133.06465	1.5
135.04379	1.2
145.04973	2.1
145.06526	0.8
147.08046	1.3
149.05981	1.9
155.08505	0.7
157.06471	1.2
161.05959	1.0
173.05952	0.8
175.07599	1.0
178.81396	0.5
183.08060	0.9
191.06976	0.9
197.24028	0.5
203.06982	1.8
211.07501	3.6
215.07013	0.7
229.08650	0.8
249.07547	4.1
251.09187	4.1
267.08649	32.8
355.11490	0.6
373.12827	25.2
414.81592	0.5
517.16907	1.1
535.17700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
56.05038	64.8
57.03431	3.1
58.06594	7.3
61.01155	40.3
69.03407	3.3
70.06584	6.5
70.93114	3.9
73.02931	2.4
74.06082	65.3
79.86054	1.8
81.03363	2.4
84.04504	80.1
84.08138	2.0
85.02908	15.0
86.09705	55.2
93.32581	2.0
95.04951	9.1
98.06067	20.0
102.05547	100.0
104.05333	81.4
107.04955	44.3
108.05247	2.9
112.07584	4.6
118.03006	2.2
120.10567	2.8
123.04432	25.4
124.11316	3.0
127.03928	2.3
130.04961	2.4
132.10208	41.6
137.06012	3.6
139.08682	4.0
140.07059	24.3
146.06355	49.7
147.04311	2.5
150.05562	4.6
150.16852	2.0
158.08165	5.6
158.11792	4.6
167.08191	10.0
169.09615	2.9
169.13426	3.2
174.05843	48.7
185.09259	16.7
185.10738	3.4
187.14439	7.6
195.07675	5.1
203.10213	11.1
213.08708	13.0
215.13919	6.0
231.09727	12.3
233.14967	45.7
246.24019	2.3
251.09140	2.4
267.08578	9.5
267.11264	2.8
280.16653	4.7
298.17746	2.6
303.10126	41.9
326.17105	22.7
331.19495	2.7
344.18195	15.5
358.14508	3.0
362.19333	4.0
373.12845	8.2
376.15256	4.7
386.14108	11.2
404.14847	8.8
466.56708	2.2
471.22440	4.0
517.23584	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	535.3397
Annotation	Taumycin B
Peak:m/z	Relative Intensity
51.55740	0.4
53.03943	0.4
55.05526	1.6
57.03428	1.5
57.07069	0.6
62.40328	0.3
65.66573	0.3
67.05511	2.8
69.03420	1.4
69.07059	2.0
69.21597	3.0
71.05012	0.4
79.05492	2.3
79.16654	0.4
81.03445	0.6
81.07066	4.4
83.01096	1.3
83.04998	0.7
83.08614	1.4
85.06527	0.5
91.05501	2.2
93.07042	3.7
95.04980	1.6
95.08607	4.5
97.06522	1.6
97.10160	0.8
99.08071	0.4
105.07032	3.3
105.74621	0.3
107.04954	0.6
107.08584	3.4
109.06521	0.9
109.10158	3.4
111.08108	0.4
117.07024	0.9
118.79016	0.3
119.08576	3.8
121.06364	1.7
121.10151	4.1
123.08054	1.2
123.11697	1.9
125.09610	0.5
125.99320	0.3
128.06166	0.4
129.07010	0.7
129.26871	0.3
131.08563	2.6
133.10127	3.5
135.11699	1.3
137.09592	0.5
143.08585	1.6
145.10144	3.0
147.11688	3.0
149.09669	0.6
149.13266	0.9
151.11205	0.5
157.10118	1.5
159.11678	2.6
161.09610	0.4
161.13252	2.6
163.11261	0.4
164.63065	0.3
165.12718	0.5
169.10175	1.6
171.11629	1.8
173.13275	1.6
175.14842	0.8
177.12810	0.6
178.18088	0.3
181.10059	0.4
183.11720	1.4
185.13306	2.1
187.14845	1.0
189.12833	0.5
189.16507	0.4
195.11771	0.8
197.13315	0.9
199.14836	1.0
200.14256	0.3
201.12723	0.5
201.16391	0.9
209.13298	0.5
211.14809	0.8
213.16431	1.3
215.17978	0.5
225.16393	0.8
227.17952	1.3
229.15889	0.6
239.18011	0.5
245.19003	0.7
265.19366	0.4
273.70187	0.4
313.25201	0.7
381.27930	0.5
475.31888	18.4
516.34619	1.3
535.33966	100.0
536.34131	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	535.4147
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03949	1.0
55.01855	1.0
55.05271	1.0
55.05513	14.8
56.24223	0.8
56.89281	0.7
57.03438	1.2
57.07073	2.2
65.48563	0.9
67.05507	27.3
69.07079	10.0
70.30074	1.0
70.30418	2.6
71.04974	1.4
79.05495	10.4
81.07063	23.2
83.08620	8.9
85.06507	0.9
87.45699	0.9
88.48833	0.7
91.05462	7.0
93.07050	10.5
95.07992	1.1
95.08610	20.4
97.06516	1.8
97.10178	2.9
99.08011	0.9
104.20314	0.7
105.07044	9.0
107.08598	9.2
109.06540	0.9
109.10156	13.1
111.08093	0.9
115.05455	1.6
117.07034	3.5
119.08599	8.9
121.10166	4.7
123.08097	0.8
123.11706	2.8
125.09621	2.2
126.74605	0.8
128.06219	1.9
129.07004	6.8
131.08603	7.5
133.10117	6.4
135.11703	3.9
137.13277	1.2
141.07007	7.8
142.07779	1.8
143.08566	11.1
145.10110	10.5
147.11682	4.2
149.13268	1.6
153.07018	3.5
154.07767	2.1
155.08568	18.4
156.09320	0.9
157.10144	13.3
159.11708	7.1
161.13249	2.1
165.07065	2.2
166.07799	1.9
167.08591	9.7
168.09328	3.4
169.10133	26.2
170.10942	0.7
171.11671	9.6
173.11911	0.8
173.13237	4.0
175.14879	1.6
178.07813	1.0
179.08577	4.4
180.09334	2.7
181.10120	16.4
182.10869	2.6
183.11702	28.0
184.12285	0.9
185.13271	10.3
185.37219	0.9
187.14851	3.3
192.09415	1.2
193.10118	5.4
194.10883	1.8
195.11720	19.6
196.12456	2.2
197.13268	17.8
199.14848	5.2
201.16370	1.2
205.10252	1.3
206.11061	1.0
207.11728	7.1
208.12471	1.7
209.13258	15.8
211.14847	12.5
213.16431	2.6
219.11798	1.6
221.13232	4.8
223.14821	11.2
225.16393	10.9
227.17975	2.3
233.13211	2.6
235.14854	4.7
237.16396	9.2
239.17966	7.1
247.14763	1.3
249.16426	2.9
251.17999	3.5
251.20236	0.8
253.19576	4.4
261.16446	1.9
263.17926	3.0
265.19540	2.3
267.17685	1.1
267.21039	2.3
271.16922	0.8
277.19461	1.7
279.21036	2.1
280.80545	0.8
281.22815	1.5
289.19727	0.9
291.21298	1.1
293.22546	1.8
297.18567	1.0
297.21997	1.3
299.06174	1.0
299.20071	1.1
303.21036	1.2
305.22778	2.1
307.20618	2.3
309.22241	1.3
311.19977	1.0
313.21521	1.4
319.20432	1.3
321.22275	4.7
323.23709	2.3
325.21896	1.2
325.25534	0.9
333.22253	1.1
333.25934	1.3
335.23730	4.5
337.25360	2.3
339.23288	3.2
349.25357	3.7
351.26901	3.1
361.25101	1.7
363.26846	3.6
365.28314	2.6
367.26532	2.0
375.30518	1.2
377.28409	2.5
379.30127	2.0
381.27878	2.0
391.30008	3.2
393.31628	1.5
395.29660	1.3
403.30020	0.9
405.31726	1.4
409.31015	3.6
421.31064	1.7
423.32767	2.8
429.31555	2.4
435.32663	1.4
437.34161	1.0
443.33429	1.0
447.32599	6.6
461.34464	2.3
475.35748	2.2
493.36661	1.1
499.39493	7.6
517.40448	68.4
518.40540	1.6
535.28546	3.1
535.41492	100.0
536.41943	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	536.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05521	1.7
56.05040	3.3
60.04530	0.8
60.55610	0.8
61.01157	6.1
67.05517	0.8
69.03429	2.2
69.07076	2.0
70.06597	68.1
71.06927	2.2
72.08154	8.0
74.02454	0.8
74.06078	4.6
81.03467	1.5
81.07053	1.1
82.06593	1.4
83.06123	0.7
84.04517	8.9
84.08149	29.9
85.02917	6.1
85.08466	1.0
86.03281	0.8
86.09711	98.1
87.05597	2.4
91.05445	1.0
91.57030	0.7
93.07043	2.0
95.04980	4.1
95.08610	1.4
96.05285	1.3
97.02901	1.6
98.06055	0.9
99.04462	1.2
101.07191	1.5
102.05558	2.5
103.05444	3.9
107.04965	13.9
108.05285	2.6
110.09750	0.8
115.05476	0.8
118.06888	28.2
119.07258	2.5
120.08115	100.0
123.04449	9.4
124.04757	2.5
126.05525	7.4
127.03918	1.4
127.08688	2.1
129.06628	1.4
129.10255	16.2
130.05026	1.1
130.06519	4.5
130.10568	1.6
131.04906	1.0
132.08107	3.5
133.06100	13.2
137.05992	1.7
138.09143	2.7
139.00153	0.8
139.86491	0.8
141.06557	0.7
144.08168	0.8
145.04936	0.9
148.06042	1.2
155.08192	1.0
159.07945	1.2
159.09172	8.3
163.09000	3.2
165.08682	0.7
169.06151	1.0
170.06062	1.5
182.12883	1.2
183.11282	3.5
183.14957	3.8
187.08778	1.2
194.15436	2.8
195.11238	1.5
200.13966	1.9
205.13321	0.9
211.14429	2.8
212.16432	14.4
223.12268	0.9
228.17014	0.7
233.16512	5.1
239.13913	32.8
246.12723	1.5
257.14999	13.6
258.15936	1.0
261.16031	4.5
263.10284	4.2
267.08707	2.3
268.08945	2.4
274.12189	5.6
280.12939	14.7
287.05563	1.6
288.05719	1.7
295.12979	1.1
314.66779	2.2
315.16946	1.6
354.20822	1.0
373.13977	0.8
373.18896	3.8
374.13333	3.2
376.22321	2.1
393.21252	1.1
396.52057	0.8
404.21722	1.8
423.22696	1.4
481.26996	0.8
523.79852	1.8
524.30542	1.1
551.31628	1.3
559.26721	3.7
560.27252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52287	5.5
55.01871	6.9
55.03735	6.6
55.05509	10.5
57.03430	6.6
62.94569	6.0
63.09170	6.9
67.05511	18.9
69.03425	18.1
69.07076	40.4
70.06586	20.9
71.03216	8.4
71.04993	20.4
72.08163	8.5
79.05484	24.1
81.07049	41.9
82.17357	5.9
83.05013	11.9
84.08132	7.1
85.02898	24.1
85.91531	6.6
86.09720	6.3
91.05432	32.5
93.07040	100.0
95.04975	47.2
95.08605	51.6
97.02885	13.8
97.06528	14.6
103.05463	9.4
105.07047	27.5
107.04973	74.0
107.08619	41.0
108.05288	14.1
109.10157	37.3
111.08109	11.3
119.04955	6.6
119.08575	23.4
120.08159	7.9
121.06485	9.3
121.10165	51.3
123.04436	18.2
123.08060	12.1
123.11697	15.5
125.09624	10.0
127.03926	8.9
131.04939	19.0
131.08574	14.6
133.10146	12.8
135.11691	27.9
137.05980	22.9
139.11186	23.5
143.08569	9.3
145.10139	26.7
147.11703	8.4
149.13121	7.3
149.73969	6.6
151.11313	6.7
153.12769	22.8
157.10124	11.1
159.11694	20.8
163.11235	14.2
167.05643	6.3
167.10738	7.2
173.13278	8.6
175.14824	6.8
177.05362	6.6
181.12276	17.3
187.14775	9.9
199.07539	7.4
199.11465	6.7
199.13217	14.3
199.14957	30.1
213.16327	8.4
216.05307	6.0
217.16180	6.8
235.16957	7.8
267.21146	8.4
283.02820	9.2
285.22263	35.8
299.06265	15.8
303.23148	56.3
309.24319	17.7
321.24213	97.3
339.25247	20.3
374.13766	10.0
494.33591	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	537.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01876	3.3
55.05502	1.9
57.03428	4.4
61.02927	3.3
62.34992	1.4
69.03434	30.4
71.04985	3.9
71.47868	2.0
73.02911	3.0
79.05472	1.5
80.43122	1.6
81.03419	26.7
81.07080	1.9
82.81374	1.8
83.04982	2.1
85.02905	99.4
87.04465	3.4
89.43779	1.4
91.05459	2.1
91.21528	1.4
93.07040	3.0
95.04379	2.1
95.04972	31.9
95.08557	2.3
97.02889	20.2
99.04440	11.3
101.02362	3.1
103.03932	1.6
105.07024	3.4
107.04962	32.3
108.05300	3.1
109.02891	14.7
109.06534	1.3
109.10178	1.9
111.04404	1.8
115.03935	2.9
121.02869	4.9
123.04432	100.0
124.04789	3.9
127.03924	29.5
131.03386	1.9
133.06503	2.1
137.05998	2.2
137.09644	2.2
145.04962	25.8
145.06532	3.2
147.07941	2.1
149.06003	2.3
157.06543	1.7
161.05972	1.8
163.03894	1.6
163.06056	1.7
167.06871	1.5
175.07614	3.2
187.15083	1.4
203.07002	1.8
241.71284	1.5
267.08655	6.9
268.09091	2.1
269.08942	2.1
319.99869	1.8
375.13953	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	537.3033
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
50.97409	0.3
52.32499	0.3
69.28121	0.8
69.28530	1.8
86.34483	0.4
98.21556	0.7
124.55208	0.3
203.05293	0.5
225.08925	0.4
266.12146	0.3
537.30383	100.0
538.30853	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	537.3271
Annotation	glas#24
Peak:m/z	Relative Intensity
50.91729	5.0
53.03940	9.4
55.01876	8.0
55.05519	9.2
57.03435	5.7
58.40984	5.1
61.02913	6.3
67.05489	6.9
69.03436	27.9
69.07069	16.4
69.91117	27.9
70.06602	55.5
71.04977	7.8
72.08148	7.0
79.05466	9.3
81.03410	24.6
81.07053	25.5
84.08143	21.8
85.02902	87.6
86.09707	100.0
87.10057	11.4
91.05479	16.0
93.07049	26.7
95.04978	38.8
95.08617	27.0
97.02887	17.3
97.06488	7.6
99.04404	9.0
99.38551	6.1
103.05455	8.7
105.07025	15.9
107.04953	68.5
107.08572	8.4
108.05276	6.4
109.02872	15.3
109.06509	8.4
109.10174	13.9
112.63994	5.7
118.06873	10.1
119.04948	7.3
120.08111	54.2
121.06453	6.5
121.08437	18.2
121.10143	25.7
123.04441	79.0
123.11708	22.2
127.03897	31.6
129.10245	10.1
130.06519	10.2
131.04921	20.7
131.08565	6.7
133.06108	8.6
133.10117	7.6
136.07590	6.3
137.05981	59.5
142.18019	5.5
145.04944	27.8
145.10109	9.2
145.98584	6.3
151.07484	6.0
163.07564	9.4
212.16524	9.0
213.16777	8.4
239.14034	8.9
267.08661	7.5
280.12964	6.5
285.22333	6.0
303.23257	9.2
309.11136	6.9
316.16763	11.4
321.24249	19.6
339.25281	8.7
404.71802	6.3
443.20187	5.9
451.09540	6.5
455.59845	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.3
53.03936	8.8
55.05510	25.0
57.03425	11.0
57.06803	2.3
57.07075	45.2
58.22022	2.4
65.03955	4.4
67.05502	53.4
69.07066	17.5
69.27670	3.6
69.28010	22.6
71.04978	2.4
71.08635	33.0
78.61382	2.6
79.05498	71.2
81.03407	8.5
81.07051	51.2
82.34882	2.2
83.04982	14.3
83.08614	18.0
85.10191	14.8
91.05466	53.5
93.06492	4.7
93.07045	67.1
95.04964	16.6
95.08607	45.1
97.06532	4.3
97.10164	6.2
105.04487	4.4
105.06335	3.6
105.07023	44.5
107.04941	5.3
107.08585	15.0
109.06495	6.7
109.10159	12.5
111.11691	3.3
117.06979	9.7
119.08570	22.8
121.06508	3.2
121.10153	3.9
123.08076	3.0
123.11739	3.2
128.06178	2.8
129.07025	15.8
133.10114	8.2
135.11565	2.7
137.13286	3.9
143.08560	10.8
145.10075	9.9
147.11693	43.3
159.11604	2.4
161.09624	3.4
161.13226	18.1
171.11687	32.2
188.15746	3.0
189.12755	13.1
207.13820	37.0
216.16760	2.4
239.23636	3.5
266.65399	2.6
281.17484	60.4
290.66650	2.5
297.01395	3.0
313.27380	79.8
519.40497	100.0
537.29962	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
54.52321	3.1
55.05519	15.6
57.01773	3.3
57.03440	6.1
57.07077	29.0
67.05508	35.4
69.07063	10.8
69.43411	7.8
69.43845	12.5
71.04989	4.4
71.08632	17.8
75.08611	2.4
79.05493	40.4
81.03398	3.5
81.07053	30.9
83.04984	7.3
83.08619	9.1
85.10180	7.5
85.36514	2.4
91.05453	24.6
93.07041	35.0
95.04971	10.8
95.08608	26.5
97.10191	5.6
105.07033	20.4
107.04987	5.5
107.08583	10.2
109.06555	2.8
109.10159	7.6
119.08605	9.3
121.10159	3.1
121.37418	2.4
121.38329	2.7
123.08058	3.3
128.06186	2.6
129.07002	9.2
133.10147	5.6
143.08559	5.7
145.10149	4.4
147.11688	24.5
154.56093	2.6
161.13255	7.4
171.11723	13.7
189.12759	5.5
207.13788	16.5
250.23058	2.5
281.17401	26.3
281.29492	28.7
282.27896	100.0
299.30600	23.7
300.06290	4.8
313.27408	35.0
519.40576	49.6
537.40430	3.2
537.53577	5.8
542.60944	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06854	2.9
53.03941	6.7
55.01867	3.9
55.05511	26.1
57.03438	17.0
57.07079	44.6
65.03928	4.2
67.05509	63.5
69.07067	19.3
71.08644	24.4
73.04767	4.1
73.06557	4.3
74.02101	2.6
76.42534	3.2
79.05495	79.8
80.79016	3.0
81.03403	7.4
81.07056	56.7
82.30708	3.0
83.04981	10.6
83.08620	18.9
83.67688	3.1
85.10175	14.5
91.05479	57.8
91.27187	2.8
93.07044	65.9
95.04952	14.5
95.08611	44.1
97.10171	13.2
98.20804	7.6
105.04565	3.3
105.07036	39.9
107.04968	5.0
107.08588	22.6
109.06532	4.7
109.10151	15.6
117.07001	9.4
117.90582	3.3
119.08591	27.0
121.06516	5.6
121.10123	4.3
123.08077	5.0
125.05318	2.9
128.06204	4.5
129.07022	14.6
131.08572	4.3
133.10089	14.0
135.11661	3.5
137.13258	3.5
138.72765	3.6
143.08571	8.9
145.10149	12.5
147.11684	40.3
157.10080	3.0
161.09633	5.5
161.13245	15.5
166.04916	2.7
167.05576	4.0
171.11714	30.0
189.12721	12.1
207.13834	41.8
281.17477	68.1
299.06033	4.4
313.27374	89.2
378.66074	3.5
378.71445	3.0
417.31738	3.3
467.15271	3.1
519.40485	100.0
519.48303	4.8
537.30597	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.5
55.05521	32.6
57.03431	16.0
57.07079	54.0
65.03949	5.5
67.05506	80.5
69.07056	23.2
71.08623	33.6
73.04751	8.7
77.05589	4.5
78.16508	4.4
79.05496	92.2
80.09934	4.6
81.03421	12.3
81.07056	65.8
83.04969	15.2
83.08619	16.4
85.10174	26.4
91.05478	66.3
93.07048	84.8
95.04959	18.1
95.08627	61.5
97.06534	6.4
97.10172	13.8
105.07043	52.6
107.04990	8.5
107.08579	16.6
109.10152	23.2
117.07014	13.3
119.08582	27.9
121.10109	15.0
123.08065	11.8
123.11698	10.3
129.06998	19.9
131.08655	6.7
133.10100	13.2
135.11760	5.4
142.72820	5.1
143.08533	13.1
145.10095	13.4
147.11684	46.2
161.09669	6.9
161.13315	12.9
167.05600	7.9
171.11719	40.5
189.12779	8.7
190.34900	5.4
207.13837	37.4
239.23792	5.8
266.27786	6.1
281.17499	66.6
281.91251	9.7
288.55276	5.3
299.06250	12.6
300.06247	10.9
313.27356	81.3
360.84219	7.4
474.71338	5.8
476.63855	6.2
519.33240	8.9
519.40369	100.0
537.44165	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	538.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50812	1.2
53.03939	3.0
55.01863	3.6
57.03447	1.4
60.66008	1.2
61.02911	2.2
67.05502	1.8
68.99797	1.6
69.03431	5.2
69.07096	1.2
69.64664	5.4
69.65079	1.9
70.06580	3.2
71.01360	1.1
71.04997	1.9
79.05479	1.4
81.03413	5.3
81.07051	3.1
85.02903	18.3
86.06074	2.2
86.09708	2.8
87.00822	6.9
91.05476	11.1
93.07053	5.7
95.04955	4.9
97.02885	5.4
99.04444	3.7
103.05475	8.3
103.88836	1.2
105.01860	3.7
105.07029	4.2
107.04955	19.1
107.08595	2.6
108.05283	1.4
109.02884	4.9
109.06528	5.0
110.06085	1.3
111.99046	1.2
119.04905	2.3
120.08166	1.7
120.78255	1.2
121.06521	25.0
123.04419	9.2
125.06065	1.5
127.03934	7.9
129.01917	1.4
131.04941	9.7
133.10110	1.3
135.04422	3.3
135.08026	2.2
137.05969	15.2
138.09097	1.4
145.04979	3.4
145.06445	1.9
147.04463	1.9
149.05986	18.8
150.06793	2.0
151.03914	1.9
151.07562	9.3
152.06178	2.2
153.07007	5.9
159.02917	2.9
161.05986	3.1
163.07555	9.9
165.07004	3.0
166.08646	4.3
167.08611	4.2
169.06421	1.7
170.07300	2.2
175.07581	5.1
177.05498	2.1
180.05708	2.6
181.06480	13.3
182.07271	4.4
183.08041	1.8
185.09673	2.6
187.07524	4.2
195.08113	9.4
197.05965	4.7
198.06705	8.1
199.07510	2.8
199.11382	1.5
209.05937	3.5
209.09525	2.1
210.06711	2.2
211.07614	1.7
212.08275	4.9
213.09125	25.0
214.09488	1.7
217.12141	1.5
223.07544	5.9
224.08275	1.9
225.05525	1.5
226.06216	5.0
227.10654	7.5
235.07271	1.7
236.08260	1.3
237.09222	3.6
239.06918	1.8
240.07803	5.0
241.08589	19.9
242.09421	4.6
249.09116	1.8
255.10268	4.8
258.08902	5.3
261.09125	2.8
265.05908	1.5
265.08472	6.2
266.09457	1.7
268.07397	3.0
269.11621	1.7
273.11230	100.0
274.11707	1.8
277.08557	1.6
282.08939	3.5
283.09653	11.3
285.11597	1.4
295.09558	2.3
297.11227	36.6
303.10080	1.5
306.08719	2.0
309.11356	4.1
315.12061	7.2
320.10211	1.6
321.11206	3.6
335.13019	1.7
339.12280	14.3
345.11328	1.4
362.07977	2.9
363.12418	7.9
377.10172	5.5
381.13376	8.0
467.13312	3.3
485.14432	3.9
488.18307	1.6
488.65491	1.3
503.14954	1.7
506.19382	3.6
539.15332	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	538.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01873	2.0
57.03439	1.6
59.70462	0.8
61.02938	1.3
67.05515	2.0
68.99787	2.1
69.03429	5.9
69.07063	1.0
69.30569	0.8
69.67090	5.4
70.06591	3.0
71.04993	1.5
71.33586	0.9
73.02933	2.2
79.05499	2.6
80.47437	1.0
81.03425	5.7
81.07072	3.4
84.04469	0.8
85.02911	17.2
85.25466	1.1
86.06099	1.5
87.00831	5.0
91.05476	8.1
93.07044	3.4
93.76735	1.1
95.04958	4.1
95.08617	2.2
96.08115	1.0
97.02876	5.5
99.04468	3.4
102.86545	0.8
103.05457	5.8
105.01874	2.6
105.07019	3.0
107.04963	13.0
107.08595	1.4
109.02886	6.1
109.06523	3.5
109.10189	1.0
110.09687	1.7
111.04449	1.9
112.68956	0.8
115.05489	1.0
117.07012	1.4
119.04971	2.0
119.87552	0.8
120.08099	2.6
121.06507	22.1
121.07392	1.2
123.04433	7.8
125.05998	1.8
127.03916	9.3
128.06184	1.0
129.01875	1.7
129.06996	1.1
131.04924	10.8
134.03609	1.2
135.04433	4.3
135.08066	1.7
135.80070	0.9
137.05988	14.5
138.09138	2.5
141.07013	1.2
145.04984	5.3
145.06480	1.8
147.04507	1.0
148.05147	0.9
149.06001	17.0
150.06747	3.0
151.03925	1.3
151.07556	9.1
152.06207	2.0
153.05482	0.8
153.07007	5.2
155.08601	1.1
159.02884	4.2
160.45805	1.0
161.05948	2.1
163.07547	7.3
165.07013	2.2
166.08664	4.0
167.08572	3.7
169.06525	1.5
170.07343	2.3
172.03970	2.5
173.06120	0.8
174.06686	1.2
175.07516	5.3
176.08134	1.0
177.05428	1.5
177.06918	1.3
177.09097	1.4
179.08569	1.3
180.05594	1.5
181.06493	13.0
182.07257	3.6
183.08147	1.3
185.09590	2.2
187.07591	2.8
189.03992	1.4
189.09120	1.1
191.07040	1.6
194.07291	1.2
195.08031	8.6
196.08812	1.0
197.05969	3.2
198.06743	6.2
199.07460	2.1
205.06474	1.0
208.05165	2.2
209.05994	2.8
209.09517	1.1
210.06769	2.4
211.07460	1.5
212.08401	2.8
213.09090	20.5
215.07007	1.9
217.08589	1.3
223.07518	7.2
226.06332	4.3
227.07115	1.3
227.10696	5.7
231.04948	1.7
237.08870	4.6
240.07852	4.8
241.08574	15.3
242.09341	3.4
245.11807	2.5
250.06311	1.1
255.10144	4.7
258.08890	3.2
261.09134	1.1
263.06970	1.6
265.08560	4.4
266.09259	1.6
268.07364	2.9
269.11636	1.3
273.11218	100.0
274.11536	1.7
277.08698	1.8
282.08969	1.8
283.09647	9.6
289.08600	1.4
293.08612	1.8
295.09750	2.2
297.11224	40.5
306.08707	1.1
307.09814	1.4
308.70032	1.0
309.11340	4.8
315.12332	5.7
321.11209	3.6
325.11679	1.6
335.13058	1.1
339.12271	13.2
341.11325	1.2
362.07410	1.9
363.12149	8.2
373.45496	1.0
377.10211	4.7
381.13266	5.7
441.15549	1.6
467.13544	1.8
485.14355	3.1
488.18195	1.4
506.19031	3.3
539.15601	4.3
545.54065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05506	1.3
69.03452	4.0
69.03757	1.1
69.07058	2.1
69.46242	0.7
69.46569	5.3
70.06593	12.0
70.28870	0.8
71.04975	0.8
71.06907	2.2
79.05478	2.3
79.38767	0.7
81.03413	2.1
81.07035	1.9
83.04965	0.9
83.60828	0.8
84.08110	0.9
85.02903	11.2
85.06544	1.2
86.03230	1.6
86.09703	2.0
87.05614	0.8
91.05487	4.8
93.07035	2.6
93.24102	0.9
94.04166	1.9
95.04957	1.7
95.08612	1.0
97.02874	3.6
99.04444	1.0
103.05450	2.2
105.03327	0.7
105.07034	6.0
107.04964	6.7
107.08577	1.6
108.05256	1.4
109.02834	1.4
109.06485	1.2
111.11705	0.8
115.05464	1.7
117.07024	1.4
119.05014	1.1
119.08564	1.8
120.08085	1.3
121.06483	1.2
121.10114	1.6
122.03648	5.9
123.04393	2.5
125.23681	0.9
127.03894	2.5
128.06212	1.2
129.06973	1.7
131.04948	1.5
132.05693	1.3
133.06516	4.1
133.10060	1.0
135.11681	0.8
137.05978	100.0
139.07617	0.8
143.04852	0.9
145.04985	2.6
145.06445	3.3
147.04349	1.4
147.08041	2.1
149.06030	4.1
159.08041	2.3
160.05252	1.3
161.05984	16.9
162.06735	1.9
163.07463	0.8
167.07175	0.9
173.06003	1.5
175.07547	23.6
177.16313	1.4
178.16640	1.3
187.07544	6.1
190.07755	1.7
191.08601	4.3
193.08583	5.6
195.17328	0.9
199.07564	3.7
203.08437	1.4
205.06725	0.8
205.08595	2.8
206.76004	0.7
213.18549	1.1
217.08673	1.0
218.07312	1.5
219.08044	6.9
220.08826	1.1
231.08066	1.3
236.08211	1.3
247.07515	3.5
248.08353	0.9
251.10669	11.0
259.07520	1.1
261.09064	1.0
263.10611	0.9
265.08722	0.9
279.10144	8.9
291.10092	3.6
308.11023	0.8
309.11252	1.0
311.12772	24.6
312.12967	1.5
313.42294	0.9
323.12845	9.1
329.13776	4.7
341.13840	7.3
457.30121	1.5
475.31339	4.5
520.30060	1.4
538.30511	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	538.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.05501	10.0
57.07047	6.0
67.05495	20.4
69.03410	8.8
69.07065	24.9
70.06570	20.3
70.61198	9.7
71.05010	9.2
72.08147	7.3
79.05488	15.5
81.03422	5.9
81.07053	38.5
85.02890	15.6
86.09718	12.3
89.06046	5.8
91.05475	14.4
93.07041	45.6
94.06546	12.6
95.04971	8.8
95.07331	12.7
95.08612	59.8
96.08118	18.0
97.02910	9.3
97.06523	12.2
105.07018	22.5
107.04959	51.3
107.08595	21.6
108.08128	18.2
109.02885	9.0
109.06507	8.0
109.10146	22.4
110.09699	25.2
111.08093	27.6
119.04881	6.2
119.08586	15.0
120.08117	25.4
121.10115	26.7
122.06023	9.7
123.11710	16.8
125.09652	7.4
127.03856	6.9
131.04895	9.5
131.08533	6.3
133.10115	9.3
135.11729	12.2
136.07582	8.0
137.13322	6.4
138.05492	6.1
138.09148	53.1
139.11195	10.1
144.04428	7.2
145.10124	12.0
146.05963	6.3
147.04428	9.8
147.11656	13.7
148.07590	12.5
149.13332	7.7
151.11156	5.5
153.12735	6.5
166.08659	100.0
172.03969	46.6
189.16417	8.9
190.04990	20.1
201.16335	12.7
204.06531	24.2
212.10780	9.0
217.19452	6.1
223.07573	8.2
223.16855	5.7
225.10320	6.8
235.20522	6.0
237.10193	15.7
238.10712	5.8
239.11855	5.6
240.07777	4.9
241.08783	5.5
251.11810	7.1
253.09665	6.2
255.10310	11.3
265.09711	21.5
273.11639	6.9
275.23563	7.3
278.06586	10.4
279.11243	8.8
283.10797	9.1
287.23645	8.9
293.09137	21.9
293.24734	27.1
305.24747	50.0
309.12024	6.0
312.10849	5.4
313.11703	9.6
323.25824	65.1
325.11783	18.0
335.10089	6.2
341.11349	30.7
341.26801	9.3
353.11353	22.5
362.07864	7.2
373.13849	6.8
377.10321	6.8
465.18851	16.2
478.19739	11.6
488.17984	15.4
506.19156	63.1
538.18652	6.6
539.15161	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	539.1554
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
50.04432	0.2
56.76690	0.3
64.22565	0.3
66.64227	0.2
67.05445	0.3
69.03399	0.4
70.83427	0.5
76.44118	0.2
86.09654	0.5
91.70392	0.2
93.07006	0.3
107.04903	1.2
121.96890	0.3
126.60676	0.3
141.50543	0.2
154.43716	0.3
184.05031	0.3
212.75513	0.3
225.05449	0.7
235.07632	0.3
236.08131	0.7
239.06973	0.3
247.07533	0.4
247.44777	0.3
249.09192	0.3
251.07024	0.5
263.07040	1.0
264.07816	0.9
265.04993	0.4
265.08569	1.7
273.11066	0.3
275.07047	1.0
278.09372	0.4
279.06631	0.8
287.07178	0.3
288.07742	0.3
289.08575	0.7
291.06622	0.6
292.07227	1.4
293.08008	0.9
305.08154	0.8
306.08807	1.3
307.05777	0.4
316.07263	0.4
317.08258	1.4
318.94827	0.3
319.05984	0.9
333.07562	3.0
333.13092	0.6
334.08386	3.1
337.03726	0.3
344.06818	0.6
345.07593	8.3
346.08154	0.8
347.05444	0.6
359.09119	1.9
360.06180	0.6
361.07132	4.0
362.07855	58.9
363.08182	1.1
375.08621	1.8
376.09464	1.6
377.10184	89.3
378.10471	2.4
539.15521	100.0
540.15839	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	539.1703
Annotation	Agrostonin
Peak:m/z	Relative Intensity
55.05512	1.6
62.42344	0.9
67.05506	2.1
69.07060	1.8
70.43141	0.9
71.49135	2.0
79.05482	3.7
81.03438	1.9
81.07047	3.3
83.04931	1.2
83.08627	1.4
85.02915	1.2
91.05482	2.1
93.07035	1.9
95.04940	1.2
95.08566	1.6
97.02925	1.2
105.07040	2.2
106.34210	1.1
107.04952	7.6
107.08607	1.9
108.72272	1.0
109.10175	2.0
115.05486	1.1
117.06976	1.4
119.08572	2.3
127.03934	1.2
131.04916	2.4
131.08586	1.5
139.07645	1.1
141.07014	1.6
143.08618	1.3
147.11562	1.2
152.06294	1.2
153.07053	2.4
155.08534	1.6
157.06502	1.6
165.07037	3.1
166.07707	1.1
169.06555	1.8
170.07219	1.5
171.44165	1.0
181.06511	15.2
182.07201	1.5
183.04417	6.1
183.08034	1.8
185.06053	1.4
195.08151	1.9
196.05179	1.4
197.06010	3.3
198.06778	6.9
199.07568	5.1
208.05206	1.3
209.05998	7.3
210.06821	2.7
211.03963	4.4
211.07529	3.6
212.04753	1.8
213.09183	5.9
223.03883	13.5
225.05399	1.2
226.06250	88.9
227.07022	13.2
233.47690	1.0
237.05635	1.0
239.07054	1.8
240.07709	1.8
241.08604	100.0
242.09175	7.6
253.05000	1.6
254.05721	4.7
255.06583	11.7
269.08105	76.9
270.08862	29.9
271.09421	3.3
275.20108	2.0
362.08231	2.8
377.10257	5.5
436.96887	1.1
485.94052	1.1
507.14349	1.4
510.12918	1.1
511.17114	1.1
521.16510	1.9
521.23834	1.7
539.16833	74.7
539.24670	5.8
540.17725	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	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.8
67.05489	17.0
69.03420	16.5
69.07064	13.4
69.99569	43.6
70.06594	8.7
79.05499	13.2
81.03403	14.9
81.07055	29.4
83.08626	13.6
85.02915	12.7
85.06612	10.7
89.03851	9.8
91.05481	22.8
93.07059	21.9
95.04962	14.9
95.08604	19.9
97.06570	10.3
97.70628	9.1
98.20802	8.5
102.43974	8.3
103.91109	9.8
105.06993	22.5
107.04951	63.0
108.90708	8.2
109.06497	12.6
109.10202	18.4
112.06809	7.5
117.03397	19.7
119.08598	14.4
121.06489	10.3
122.45624	9.1
127.03871	14.4
131.04932	13.3
131.08571	13.4
133.06554	11.7
137.05971	55.8
143.08557	12.0
145.02875	53.8
145.06479	14.9
145.10143	13.3
147.04401	17.7
149.06000	19.9
149.13289	11.5
159.11693	15.6
163.07550	16.8
164.14618	8.0
177.05490	100.0
183.11639	8.3
189.12761	8.2
195.06461	14.8
215.10709	9.6
362.07883	23.4
377.10257	63.4
539.14996	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	10.1
55.01858	16.0
55.05511	21.7
55.22586	3.8
57.03440	23.1
57.07080	87.1
61.02910	5.3
61.05540	3.4
67.05511	45.0
69.03432	51.5
69.07072	25.6
71.04980	6.8
71.08629	63.1
71.48898	3.4
71.49305	4.3
73.02918	48.1
75.06131	3.5
76.02980	4.0
79.05481	17.1
81.03416	35.2
81.07057	55.6
83.04964	13.5
83.08624	30.1
85.02908	40.4
85.10189	35.8
87.11919	3.9
88.94716	3.6
89.06027	8.3
91.05466	14.5
93.07048	14.7
95.08607	69.0
97.02897	16.9
97.10173	18.5
99.04452	21.5
99.11795	3.7
105.07012	11.3
105.14859	3.3
107.04951	10.7
107.08617	8.8
109.02880	58.5
109.10152	38.1
110.03648	13.3
111.04443	68.7
111.11681	6.8
115.03942	4.7
117.06999	6.1
119.08590	8.8
121.10132	4.0
123.11698	17.0
125.13299	4.2
127.03912	42.7
129.06897	4.7
131.08536	7.0
132.99539	28.9
133.08606	7.6
135.11687	4.6
137.13254	12.4
144.27663	4.4
151.00589	7.5
151.14803	5.8
159.11687	8.1
163.11293	4.9
164.98439	5.4
167.00137	4.5
169.10123	6.5
170.91420	14.4
172.99059	10.1
173.05965	4.2
188.92447	38.2
191.00142	37.1
197.13266	4.5
208.92851	5.0
209.01170	13.4
214.93939	9.2
221.22696	6.0
226.94011	25.3
239.23692	100.0
244.95163	28.4
252.95633	3.8
257.24722	13.8
265.03967	5.1
283.09686	4.0
300.97623	13.9
313.27386	78.6
350.24582	3.9
377.10275	8.8
447.32291	4.3
465.16901	14.3
539.14801	6.4
539.21063	6.6
539.28870	67.4
539.37726	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	539.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09813	10.0
55.05511	10.2
56.05028	16.4
57.07075	8.2
58.15413	8.9
61.32005	9.6
64.15106	10.5
67.05491	34.9
69.03390	15.0
69.07062	41.3
69.12348	23.4
69.12758	84.1
70.06580	38.9
71.04982	18.2
73.72897	9.8
79.05492	13.9
81.07060	100.0
83.04973	14.8
83.08667	10.8
83.35292	9.1
84.08148	20.7
85.02901	26.9
85.06576	11.8
86.09724	46.3
91.05470	32.5
93.07050	67.5
95.04975	29.5
95.08617	61.1
102.92397	8.7
104.05329	35.4
105.05689	9.0
105.07024	34.6
107.04950	67.5
107.08589	34.2
109.10151	60.7
111.08067	10.1
117.87973	8.9
119.08554	27.5
120.08121	18.3
121.10127	35.7
123.11755	50.4
131.08566	12.1
132.08084	13.6
133.10123	28.5
135.11659	18.5
136.07520	10.0
137.05975	41.2
137.13248	28.1
138.06339	11.5
145.10101	24.6
147.11699	13.5
148.07556	23.6
149.07385	11.6
149.13257	10.9
159.09158	44.4
159.11716	16.5
160.09480	22.1
175.07611	12.9
201.16434	13.2
260.10638	13.3
261.05899	16.0
261.10785	11.3
287.23648	16.4
289.05252	13.4
305.24780	30.4
323.25555	14.9
352.13531	15.2
499.86322	10.3
539.15070	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	539.343
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.98106	0.9
53.03951	1.5
55.05503	1.5
67.05497	3.5
69.03432	1.9
69.07059	4.3
70.06580	3.9
71.04994	1.6
71.48105	1.1
72.08162	2.0
78.87627	1.0
79.05479	2.8
81.03426	1.7
81.07061	10.9
83.04970	2.8
83.08625	1.3
84.04494	1.2
84.08152	2.8
85.02894	3.7
85.06553	2.2
86.09702	6.0
91.05499	2.8
93.07053	5.9
95.04960	3.7
95.08601	7.1
97.02847	1.2
97.06557	2.0
99.04443	1.2
105.07045	4.9
107.04967	5.1
107.08587	4.3
108.05302	0.9
109.02832	1.2
109.06512	2.6
109.10150	5.8
109.86478	0.9
119.08573	2.7
120.08116	2.8
121.06496	1.1
121.10160	4.8
123.08060	1.0
123.11702	6.8
129.10283	1.2
131.08546	1.8
133.10127	2.5
135.08086	1.1
135.11671	1.7
136.07671	1.0
137.05978	1.5
143.11818	2.0
145.10185	2.2
147.11697	2.8
151.03873	1.2
159.11708	2.4
161.13217	1.7
172.11465	1.3
197.06007	1.4
226.06277	1.0
227.07094	1.9
228.07835	1.9
237.05263	1.1
238.06209	1.6
242.09369	1.2
243.04768	2.7
247.07326	1.2
256.07306	15.6
261.08997	1.2
263.06982	1.4
264.07883	1.0
271.04291	5.1
271.07269	2.1
273.05826	2.7
277.08728	1.1
278.09427	1.5
287.06876	1.2
287.23697	2.1
288.07574	1.4
289.05304	11.2
289.08691	2.7
305.08163	1.8
305.24756	2.4
306.08990	6.1
315.06528	2.1
316.07272	2.5
317.08023	7.0
323.25821	3.2
333.07608	3.0
333.58047	1.1
334.08453	10.4
341.26877	1.5
344.06998	1.8
344.13046	1.2
345.07507	10.9
361.06979	2.2
362.07861	52.1
363.08279	1.8
375.08765	4.8
376.09280	1.5
377.10214	58.0
378.10156	7.3
539.15460	100.0
540.15900	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.5
55.05508	6.7
57.07068	12.9
61.01151	23.9
67.05498	33.2
69.07063	15.6
71.04984	3.4
71.08621	7.4
72.04518	38.9
78.03790	39.2
79.05494	34.7
81.07051	30.8
83.08627	7.5
85.06529	4.6
85.41656	3.3
88.02204	6.0
89.06036	16.6
89.32578	3.3
91.05485	13.8
93.07034	30.3
95.04967	5.8
95.08602	23.9
102.03766	42.2
103.02158	4.3
105.07024	14.2
107.08591	16.1
109.10149	16.3
114.03745	15.8
117.07014	6.5
119.08549	11.7
120.04781	9.3
121.10154	13.4
131.06363	23.7
131.08553	5.3
132.04793	36.2
133.08568	7.8
133.10106	9.3
135.11697	13.6
142.08635	10.8
145.10115	8.2
147.11725	4.7
149.07445	92.6
149.13184	5.8
159.05983	4.0
159.11723	6.9
161.13260	5.7
172.08351	3.4
173.13319	3.7
175.14772	3.6
184.09711	4.8
187.14851	3.5
188.92467	6.2
209.11749	3.2
226.94037	4.2
242.00540	3.0
243.11681	3.6
261.12640	10.9
261.22125	3.9
263.82755	3.0
297.22070	3.5
315.23123	11.1
332.25876	38.7
377.09897	5.8
409.28836	100.0
521.34045	72.4
537.46124	4.0
539.15332	4.8
539.37952	7.7
554.58142	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	540.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84828	0.7
55.01865	1.0
55.05502	1.4
55.61786	0.7
61.02958	0.8
66.72729	0.8
69.03420	3.1
70.02966	0.8
70.06592	8.7
71.48365	1.3
72.08160	2.2
81.03393	1.5
81.07038	3.0
83.04958	1.2
84.04501	2.0
84.08136	3.0
85.02900	8.2
85.06506	0.7
86.09693	2.9
88.03993	15.4
91.05463	1.0
93.07067	1.5
94.81013	0.8
95.04977	1.2
95.08568	1.1
97.02905	2.0
97.06557	0.9
98.88879	0.8
100.11254	3.5
105.07068	0.8
107.04960	8.2
108.05299	0.9
109.10157	1.1
110.38641	0.8
114.84708	0.8
119.08543	0.8
120.08124	1.3
121.10109	1.3
127.03922	1.3
129.10233	1.0
130.05045	1.3
137.05966	2.0
145.04976	1.0
155.08543	0.9
161.06079	0.9
168.05623	0.8
168.17479	2.1
169.06487	1.6
181.06462	1.6
181.12213	1.3
182.15366	1.6
182.82715	1.0
183.08022	1.7
197.05887	3.9
199.07584	2.5
202.04449	0.8
210.06799	1.1
210.14920	1.6
211.07521	5.4
212.08344	11.8
213.03670	2.4
213.05490	2.7
225.05531	1.9
225.09102	1.1
227.07030	19.9
227.09085	0.8
228.07788	8.8
229.08623	5.8
230.03839	0.9
233.06265	1.6
239.07021	1.5
240.07887	8.7
241.03110	1.1
241.08611	7.1
242.09381	95.0
243.04620	3.5
243.09700	1.3
245.06342	7.8
255.06676	1.0
255.08908	5.9
256.07401	5.8
257.08099	15.0
258.08896	1.1
260.07339	3.1
261.05823	17.2
268.09579	1.9
269.06345	1.4
271.04239	3.7
273.05798	100.0
274.06131	1.5
280.09808	1.7
281.10413	1.8
282.11285	2.4
288.06934	6.6
288.09869	1.1
289.05286	61.3
290.05548	1.0
291.06711	1.0
297.05716	2.0
314.08496	3.1
315.06866	3.0
360.08975	4.6
361.07254	2.5
378.05475	1.7
378.10065	22.1
428.78024	0.9
539.41711	5.2
540.21753	1.3
540.41858	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01863	2.2
57.03424	1.4
61.02922	0.8
68.99810	0.9
69.03442	4.1
70.06580	2.6
70.64791	1.7
71.04967	0.8
73.02908	2.2
79.05503	1.0
81.03416	5.3
85.02908	13.3
86.09715	0.9
87.00828	5.4
91.05483	13.1
93.07042	3.7
94.04180	1.1
95.04955	2.5
97.02894	5.3
98.21194	0.9
99.04436	2.4
103.05499	3.3
105.01868	3.9
105.07030	0.8
107.04958	3.4
108.05743	0.9
109.02876	5.1
117.01839	0.8
117.06976	1.2
119.04939	11.2
120.08091	0.7
121.06500	1.5
122.03654	3.1
123.08087	4.2
124.07599	1.2
127.03918	10.1
127.91928	0.7
129.01881	1.6
133.06488	2.3
136.05222	3.8
137.05984	96.3
139.07559	3.5
145.04976	6.3
147.02852	0.8
147.04401	0.6
151.07552	100.0
152.07951	0.9
159.02922	3.4
161.05931	1.1
166.08693	1.1
175.07562	8.7
217.08575	1.2
229.08650	1.5
231.04999	2.0
243.10172	1.2
272.12704	0.9
275.12793	76.7
285.11179	1.1
299.12823	22.2
309.11288	0.8
315.13541	0.8
317.13885	6.5
327.13467	0.8
337.14386	0.9
341.13904	11.4
363.08502	0.8
365.13843	5.5
375.15784	0.7
383.14890	6.4
388.06622	0.9
487.15948	0.7
540.15082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19066	0.4
53.15782	0.4
56.96568	4.2
69.08768	0.5
69.17027	0.4
70.13125	1.6
71.95258	1.6
97.87859	0.4
98.97586	83.6
116.98624	33.0
129.95186	0.4
130.93248	0.5
134.99663	6.0
140.00186	0.9
150.59058	0.4
163.83946	0.4
168.07724	0.5
172.94330	3.7
190.95343	1.9
208.96486	0.4
214.95404	4.4
232.96509	5.7
240.98814	1.2
250.97427	2.9
252.83095	0.5
256.96454	24.0
257.96826	0.5
258.99765	8.1
272.94376	0.7
274.97513	100.0
275.97845	1.1
277.00842	8.4
282.99936	0.9
290.95444	0.5
292.98563	44.9
297.99063	1.6
298.97873	0.8
301.01047	0.7
314.95352	0.8
316.00189	0.7
316.98862	1.7
332.96460	0.8
374.97989	1.2
382.99817	1.0
398.97620	26.5
399.97943	0.7
401.01208	2.3
416.98697	44.1
417.98822	1.0
434.99829	6.0
440.00201	1.3
456.96475	1.0
498.97897	0.8
540.91266	0.8
540.98901	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	541.1857
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01860	1.1
55.05489	1.1
56.06813	0.9
67.05481	2.3
69.03421	0.9
70.06560	1.4
70.72712	1.9
70.73066	0.7
79.05483	2.1
79.05920	0.6
81.03412	1.5
81.07035	2.3
85.02894	1.1
91.05462	2.7
93.07045	1.7
95.04939	1.2
95.08598	1.0
105.07015	1.3
107.04920	3.0
107.08565	1.5
109.10142	1.2
115.05463	0.7
117.06995	1.4
119.08570	1.2
125.87424	0.8
129.06992	0.9
131.04890	2.2
131.08548	0.7
141.07019	1.6
145.06502	1.1
145.10112	1.0
147.04419	2.2
152.06227	1.3
153.07001	3.4
154.72087	0.7
155.08539	2.8
157.06499	1.7
159.11647	0.8
165.07004	6.6
167.08633	1.4
168.05719	2.2
169.06447	2.2
170.07297	0.9
171.08035	1.4
177.80264	0.7
181.06482	7.1
182.07217	2.5
183.08046	9.6
185.05933	1.9
185.09616	1.2
185.13248	0.8
187.07549	1.8
187.11078	1.3
193.06459	1.4
195.08035	1.5
196.05214	2.3
197.05991	4.4
197.09564	3.6
198.06750	4.3
199.07491	2.7
200.08325	2.0
201.05351	0.7
201.09113	0.7
209.05997	2.7
210.06842	4.3
211.05542	1.1
211.07552	18.5
212.08282	13.3
213.05530	5.4
213.09131	4.3
215.06738	0.8
215.10664	1.9
223.03864	2.6
224.04390	1.0
225.05511	5.5
225.09010	4.2
226.06255	19.7
227.06999	5.9
228.07829	11.5
229.08504	2.3
239.07079	6.3
240.07683	3.1
241.05006	1.4
241.08591	26.2
242.05641	0.9
242.09306	2.6
243.06454	1.1
243.10172	21.0
254.05719	1.4
255.06477	3.6
256.07312	3.7
257.08118	3.6
258.08835	0.9
269.08130	11.7
270.08755	4.1
271.09656	100.0
272.10376	10.7
273.11304	0.9
283.09845	1.0
287.09015	0.9
299.09103	2.8
301.10712	11.1
302.11490	1.4
363.09845	0.9
374.36038	0.8
391.09781	1.7
392.10486	1.0
406.12070	0.9
407.12811	0.8
417.11371	1.3
420.09366	1.3
423.12296	1.2
433.10513	0.8
434.11316	2.1
435.12292	2.3
449.13861	3.1
449.19458	0.8
451.11374	2.0
463.11761	2.4
465.13046	1.1
466.14197	1.9
477.13190	3.6
478.14441	4.2
479.11090	0.9
481.16437	3.0
494.13593	1.7
509.15903	13.9
510.16031	1.3
526.16620	1.1
541.18298	33.6
541.35675	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	541.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05501	0.4
65.88635	0.3
67.05505	0.4
69.03421	0.7
69.07065	0.4
70.06574	0.4
79.05511	0.3
81.03411	0.4
81.07059	0.4
85.02902	0.4
91.05499	0.7
93.07064	0.8
93.70376	0.4
95.08577	0.6
97.02908	0.4
105.07032	0.6
107.04955	1.7
107.08585	0.4
109.02897	0.8
117.07087	0.4
127.03925	0.6
131.04897	0.4
135.11739	0.3
137.06036	0.8
145.10110	0.4
147.11711	0.3
153.01842	4.5
165.12802	0.4
175.14995	0.3
193.12180	0.3
197.05960	1.1
225.05505	0.8
229.20517	0.4
240.07828	1.1
273.04022	0.5
293.21179	0.7
311.06918	0.4
317.36960	0.3
329.08084	0.5
344.06439	0.4
359.09534	0.4
379.11237	0.4
379.24695	1.7
385.53055	0.4
435.08499	0.7
469.20410	0.3
481.09354	0.5
523.20276	0.4
541.11871	11.5
541.29877	100.0
542.11615	0.7
542.30359	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	541.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
55.01870	3.5
55.05519	15.1
57.03435	8.4
57.07073	10.7
61.02909	2.1
67.05510	27.6
69.03434	42.2
69.07078	13.1
70.06593	3.6
71.04984	6.0
71.08617	3.3
73.02903	2.9
79.05506	15.1
81.03418	13.6
81.07067	29.0
83.04974	4.4
83.08640	5.2
85.02909	29.3
87.04456	1.9
88.07642	4.8
89.06029	4.4
91.05486	20.4
91.31498	2.1
93.07051	17.6
95.04977	4.0
95.08610	28.3
97.02895	65.8
97.10184	6.8
98.98524	3.7
99.04445	12.2
105.07026	15.4
107.04938	9.3
107.08634	10.1
109.02912	11.3
109.03524	1.9
109.10181	13.5
111.08051	2.1
115.03890	2.5
115.05434	3.0
117.07039	8.2
119.08584	11.0
121.06506	83.7
121.10162	7.9
123.11682	3.3
125.02396	2.7
125.09592	2.4
127.03904	5.9
128.06259	6.6
129.07013	8.5
131.04846	1.9
131.08571	15.4
133.06537	7.0
133.10141	8.9
135.08057	8.4
135.11679	5.1
141.07043	6.1
142.07788	2.9
143.03445	2.9
143.08582	15.9
144.05725	4.1
145.04977	16.3
145.06453	16.3
145.10141	9.0
146.07256	2.5
147.08058	37.6
147.11705	4.8
149.13284	2.6
153.06975	4.3
155.08565	8.0
157.06511	28.8
157.10155	5.5
158.07277	7.4
159.08064	61.4
159.11700	4.2
161.09612	18.3
163.11240	2.6
165.06995	3.1
167.08537	6.5
169.06487	5.0
169.10201	3.5
170.07272	5.1
171.08060	100.0
171.11674	3.1
172.08844	6.7
173.09650	27.1
175.11217	10.2
175.14746	2.4
181.06514	3.6
181.10117	4.8
183.08090	17.8
183.11665	4.5
184.08789	5.7
185.09627	35.0
187.11185	26.6
189.12717	13.5
193.10179	4.7
195.08055	5.7
195.11684	4.6
196.08791	2.9
197.09616	29.0
197.13359	3.1
198.10406	3.6
199.07852	2.0
199.11163	31.9
201.12747	15.0
209.09656	5.9
210.10367	2.9
211.11179	21.1
213.10835	3.7
213.12762	43.7
215.14343	25.6
221.09641	3.3
223.11140	4.8
224.11932	2.1
225.12703	14.6
227.14351	25.3
229.15875	6.0
237.12755	4.2
239.14357	15.1
241.15910	11.9
241.18065	2.3
243.17484	5.7
251.14323	3.6
253.15848	6.5
255.17407	6.6
256.26431	4.6
257.18835	2.3
258.09146	2.0
267.17551	5.6
269.19153	2.5
279.17282	2.4
295.20200	2.2
296.11359	2.3
297.18536	3.7
309.18594	3.7
309.22119	2.3
311.29456	4.9
313.27325	3.0
315.23108	2.2
351.26843	36.7
361.25180	7.6
377.24832	5.3
379.26303	53.5
381.27847	31.6
391.26401	2.1
395.26187	3.5
397.27393	32.1
433.27435	2.6
467.31625	3.0
475.28461	6.1
487.28296	6.7
505.29187	5.1
523.30579	8.4
540.53387	6.8
541.31213	35.4
541.53925	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	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	9.5
57.07079	9.2
66.45639	8.5
66.50459	8.5
67.05511	15.0
69.07075	26.0
70.06599	13.6
70.39889	17.8
70.40262	16.8
71.05006	19.1
71.08631	9.2
73.06570	9.0
79.05486	22.8
81.07063	100.0
83.08600	10.5
84.08150	10.5
85.02863	9.4
85.06545	78.9
93.07063	48.0
95.08620	57.8
97.06554	16.0
97.10196	9.0
99.08117	24.4
105.07026	25.7
107.04939	9.2
107.08607	49.7
109.10178	56.5
111.08076	19.6
119.08605	23.5
121.10133	44.5
123.11715	62.3
127.11219	26.2
133.10103	13.3
135.11678	34.0
137.13344	19.1
139.11188	11.4
141.12741	23.1
147.11681	20.1
149.13277	50.0
153.12744	21.1
161.13239	12.6
167.14342	10.6
175.14877	13.5
177.16405	15.0
191.18011	9.9
203.17999	31.2
221.19035	47.8
237.34329	8.5
239.20036	24.2
249.85579	8.4
249.91200	8.4
271.24298	18.7
289.25238	29.7
295.26193	12.6
307.26285	83.6
325.27435	34.4
361.29492	12.9
414.01242	11.4
467.76779	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	541.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.2
56.04998	9.1
67.05492	15.3
69.07059	33.1
70.06595	100.0
70.61056	19.3
70.61404	16.5
71.05002	10.0
72.08134	14.3
76.20466	9.4
79.05476	17.1
81.07073	70.4
84.04488	21.7
84.08138	46.9
85.02868	10.4
91.05486	13.5
92.15217	10.4
93.07058	17.6
95.08631	59.8
101.27293	9.5
105.07028	14.6
107.04958	16.0
107.08596	32.4
109.10146	32.0
111.08106	15.6
118.19408	11.0
119.08569	12.1
121.10167	27.0
123.11691	43.6
127.11116	13.7
129.10226	26.6
135.11690	25.7
137.13216	25.4
149.13225	14.4
153.12796	11.3
159.11786	12.3
173.13330	13.9
194.16747	9.9
251.20070	12.2
256.07251	20.0
288.66522	10.0
289.25214	17.5
290.05499	16.5
307.26239	44.2
541.15906	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	541.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.6
57.07073	6.7
59.04995	2.2
65.40137	1.9
67.05508	8.2
69.07063	12.3
70.06585	5.6
70.83559	6.0
71.04971	2.8
71.08632	6.5
79.05495	4.6
80.96065	2.0
81.07060	29.7
83.08617	3.7
85.06548	100.0
86.09704	3.7
93.07054	10.8
95.08620	19.1
95.50231	1.9
96.45360	2.0
97.06520	10.5
97.10187	2.1
99.08089	13.3
101.06060	2.3
105.07047	10.3
107.04961	4.3
107.08590	14.0
109.10153	14.0
111.08107	5.8
111.11732	2.5
119.08602	8.1
121.10170	12.4
123.11716	30.6
133.10117	6.9
135.11700	7.8
137.13284	3.8
139.11226	2.2
141.12770	2.8
147.11702	6.5
149.13275	2.8
151.11221	4.8
161.13286	5.9
163.14896	3.4
169.12280	2.3
177.16478	6.4
181.15897	3.8
203.17966	13.6
221.19028	54.0
221.21097	3.6
229.08516	3.5
239.20029	28.9
271.24121	2.4
289.25385	3.8
295.26065	3.9
307.26404	11.5
318.22806	2.6
325.27426	8.6
343.28488	6.2
361.29572	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	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.2
51.02383	2.4
53.03945	9.2
55.01870	3.3
55.05513	27.0
57.03433	3.0
57.07078	4.4
59.04989	0.8
61.05981	0.8
63.18849	0.8
65.03938	7.0
67.05508	79.3
69.03426	1.9
69.07070	18.8
69.26147	7.1
69.53864	0.7
70.06586	2.6
71.04992	3.8
71.08643	2.3
73.06547	1.1
77.03934	3.3
79.05497	100.0
81.03422	8.0
81.07060	69.6
82.87074	0.8
83.04986	11.7
83.08627	9.5
85.06561	3.2
86.53538	0.8
88.07648	4.2
89.07975	0.9
91.05484	72.0
93.07045	89.2
94.07370	0.8
95.04973	18.4
95.08609	45.0
95.20834	0.8
96.41396	0.7
97.02899	1.0
97.06551	4.9
97.10175	5.1
99.08111	1.4
102.09199	2.9
103.05478	1.4
105.04533	3.6
105.07035	48.7
107.04966	6.4
107.08598	32.7
109.06507	5.7
109.10165	13.4
111.08102	2.4
113.09621	0.9
115.05452	2.4
116.06221	0.8
117.07027	13.7
119.08585	31.9
121.06520	2.5
121.10147	19.7
123.08047	4.2
123.11701	2.3
125.09610	0.9
127.07603	1.4
128.06241	4.2
129.07013	16.8
129.07928	1.4
130.07802	1.4
131.08568	14.8
133.06491	1.7
133.10141	15.5
135.11693	11.6
137.09615	1.1
141.07104	1.5
141.09158	1.6
142.07867	0.7
143.08572	9.4
145.10124	15.5
145.11176	1.4
147.08089	2.3
147.11691	34.9
149.13249	5.4
153.66232	0.7
155.08548	2.0
156.09337	0.8
157.10172	4.2
159.11658	5.3
161.09625	3.8
161.13264	16.4
163.11284	1.2
163.14806	1.3
169.10194	3.3
171.11700	26.5
173.13281	3.8
175.14796	0.8
179.14326	1.0
183.11659	1.9
185.13303	2.0
187.14888	2.6
189.12770	10.6
195.11734	1.2
197.13350	0.9
199.14850	1.8
207.13800	28.3
209.13388	0.8
211.14961	1.0
225.14806	1.5
228.45752	0.7
243.21091	1.4
256.26373	5.4
257.26776	3.1
261.22144	3.6
283.26382	1.3
284.29565	1.4
311.29425	4.7
312.29904	4.1
317.24734	1.7
335.25842	1.2
396.41513	0.7
431.32977	1.0
449.34271	3.3
467.36081	1.1
485.36285	1.6
523.38025	1.5
540.53516	4.3
541.38934	88.9
541.53143	18.2
542.39130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
54.23230	1.7
55.05513	18.4
57.03442	5.9
57.07080	20.3
65.03945	2.0
67.05508	39.8
69.07073	16.4
70.06597	12.7
70.14408	3.2
70.14764	3.5
71.04994	2.7
71.08630	8.3
71.46921	1.4
72.08971	1.5
73.02917	1.6
79.05494	37.0
81.03415	1.8
81.07055	35.8
83.04976	4.1
83.08601	10.1
85.06540	2.6
85.10178	3.2
88.07636	16.8
89.06014	2.4
91.05484	33.3
91.06026	2.5
92.33694	1.6
93.07045	36.6
95.04958	7.2
95.08611	27.3
95.73550	1.4
97.06552	4.4
97.10168	8.3
102.09181	14.9
105.04536	2.1
105.07023	27.9
107.04945	1.8
107.08604	17.7
109.06593	2.8
109.10178	8.8
110.10501	2.2
111.11740	1.6
115.05436	2.1
117.07026	10.0
119.08574	21.7
121.06516	2.5
121.10150	12.4
123.08029	3.2
123.11742	3.1
125.09635	3.8
128.06241	2.8
129.07039	12.6
131.08571	21.9
133.10121	9.5
135.08095	1.7
135.11722	5.2
141.07022	5.7
142.07761	2.8
143.08569	20.8
145.10115	20.5
147.11697	13.2
149.13286	5.0
155.08551	12.9
157.10150	12.4
159.11688	11.7
161.09651	2.9
161.13338	6.3
163.14848	1.7
167.08649	3.8
169.10117	16.1
171.11671	14.5
173.13327	6.0
175.14783	2.9
181.10094	7.9
183.11685	9.4
185.13321	9.5
187.14832	3.8
189.12753	1.7
189.16405	2.1
193.10248	2.2
195.11739	6.3
195.13519	1.6
197.13310	6.8
199.14868	5.6
207.11789	2.5
207.13881	4.4
209.13313	5.6
211.14854	4.8
213.16405	3.4
215.17995	1.9
221.13338	3.9
223.14845	5.0
225.16537	3.4
227.17999	2.5
228.80486	1.4
235.14804	2.1
237.16469	4.3
239.18108	1.9
243.21208	2.4
247.72298	1.7
249.16368	1.6
251.18120	2.0
256.26337	24.2
257.26685	16.8
261.22232	3.5
274.27542	2.8
281.17316	2.1
283.26349	4.0
284.26675	3.6
284.29492	5.9
285.30081	2.2
311.29510	20.0
312.29797	19.5
317.24908	3.0
325.25342	3.0
337.25491	2.3
355.26382	2.2
431.33185	5.4
449.34225	19.2
467.35388	6.3
485.36533	2.5
487.36462	2.1
505.36798	2.0
523.37775	9.2
540.53625	18.8
541.39001	100.0
541.53766	82.7
541.62360	3.4
543.40210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.4
51.02379	2.6
51.11937	0.7
51.37213	0.8
53.03948	11.5
55.01862	3.3
55.05511	27.6
57.03430	2.4
57.07068	5.8
60.95515	0.8
65.03932	5.9
67.05503	79.4
69.03455	2.3
69.06689	1.1
69.07067	20.6
69.30830	0.8
70.06594	2.7
70.08026	2.0
70.08414	2.0
71.04987	2.4
71.08627	2.2
73.06555	1.2
77.03944	2.4
79.05493	100.0
81.03424	8.7
81.07054	66.3
83.04979	12.8
83.08616	11.2
85.06544	2.5
85.10197	1.4
87.04478	1.3
88.07645	4.8
91.05479	74.0
93.07041	83.2
95.04971	19.8
95.08607	45.5
97.06532	6.0
97.10171	5.1
99.08079	1.5
101.10738	1.0
102.09196	3.3
103.05479	2.1
105.04501	5.2
105.07031	48.3
107.04957	15.2
107.08587	31.6
109.06529	5.0
109.10154	12.9
111.08081	2.2
115.05464	2.9
117.07011	14.7
119.08586	28.6
121.06511	2.0
121.10138	19.5
123.08053	5.4
123.11710	1.9
127.07552	1.1
128.06210	4.1
129.07007	14.2
130.07825	0.9
131.04924	10.3
131.08559	12.0
133.06482	2.5
133.10126	15.8
135.08057	1.2
135.11688	12.0
137.09747	1.0
141.06987	1.6
142.07808	1.3
143.08548	9.9
144.05746	1.6
145.06526	3.6
145.10129	15.0
147.08055	2.7
147.10519	1.6
147.11685	30.4
147.12811	1.6
149.09621	0.8
149.13301	4.1
151.11168	0.9
155.08595	2.4
156.09331	1.2
157.06535	2.1
157.10178	4.4
159.11693	4.9
161.09605	4.8
161.13257	12.2
163.14856	2.0
169.10161	3.6
171.08136	2.0
171.11676	24.5
173.05984	7.0
173.13286	4.4
175.14893	1.4
179.14491	0.9
183.11737	2.1
185.13286	2.4
187.14871	2.6
189.12729	10.6
197.13336	1.4
199.14862	1.1
207.13800	24.2
209.13338	1.3
211.14801	1.1
225.14803	1.6
256.26331	4.7
257.26825	3.1
261.22189	3.3
274.27576	0.9
281.17593	1.4
283.26312	1.0
284.29535	1.5
295.78906	0.9
311.29449	5.1
312.29788	4.7
317.24939	2.0
434.53745	1.0
449.34409	1.6
467.35275	1.1
503.93622	1.0
540.53717	4.9
541.39056	70.0
541.53320	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05510	22.6
57.07088	21.1
58.07402	4.4
60.51072	2.6
67.05184	2.7
67.05513	35.4
69.07070	29.6
70.06600	12.7
70.54444	5.9
71.08616	10.5
79.05502	25.6
81.07060	100.0
83.08627	21.6
85.10170	8.0
86.25767	2.3
88.07639	18.0
88.42550	2.2
89.06025	5.1
91.05495	23.0
93.07047	44.8
95.08614	79.6
97.10184	5.7
102.09206	12.3
103.09571	2.9
105.07040	40.9
107.08604	56.9
109.06475	2.6
109.10164	47.1
111.11667	3.9
117.07027	8.9
119.07819	3.5
119.08592	42.2
121.10157	41.4
123.11723	23.1
129.06981	3.9
130.07697	2.3
131.08597	18.4
133.08591	6.4
133.10159	24.0
133.11127	3.7
135.11700	24.4
137.13261	8.4
142.07785	3.2
143.08571	10.3
145.10126	25.4
147.11690	27.0
149.13292	16.8
155.08582	3.6
156.09326	3.0
157.10139	12.2
158.10873	2.6
159.11705	31.1
161.13286	25.8
163.14822	12.5
169.10138	8.9
171.11659	14.6
173.13243	22.0
175.14821	13.9
177.16399	7.6
181.10098	3.9
183.11667	9.2
184.46544	2.1
185.13251	10.4
187.14828	12.4
189.16408	11.1
191.18109	3.8
195.11655	4.1
197.13312	9.6
199.14789	12.4
201.16408	11.1
203.17928	7.4
211.14778	8.2
213.16425	10.2
215.18007	8.6
217.19475	4.6
221.13481	2.7
223.14865	4.9
225.16327	5.1
227.17949	8.3
229.19437	4.5
239.18039	3.3
241.19421	4.6
243.21043	3.6
253.19542	4.6
255.21048	7.4
256.26422	26.1
257.22516	3.8
257.26691	19.9
267.21036	5.0
269.22583	3.8
271.24271	4.4
274.27390	3.6
279.21072	4.2
281.22681	5.2
283.26572	4.1
284.26666	5.8
284.29309	5.3
285.29767	5.3
295.24329	3.7
309.25702	3.4
311.29617	15.7
312.29669	21.3
327.19949	2.9
349.28928	3.2
391.33478	4.5
417.35461	3.8
459.39691	2.5
472.41122	3.0
541.47290	83.7
541.53937	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4769
Annotation	Asymmetrical zeta-carotene/ Asym. zeta-carotene/ 7,8,11,12-Tetrahydrolycopene
Peak:m/z	Relative Intensity
50.30517	2.7
50.39518	2.8
53.03932	5.4
55.05509	20.1
57.07072	16.6
67.05503	32.8
69.07068	34.8
70.06577	11.4
71.08616	8.0
71.49001	2.7
75.97591	2.5
76.65968	2.6
79.05488	21.3
79.10335	2.8
81.07057	92.5
83.08607	13.1
88.07613	14.3
89.06014	8.6
91.05489	18.4
93.07044	45.4
95.04939	4.6
95.08605	64.1
97.10160	10.7
100.94181	3.3
102.09173	11.8
105.07037	37.9
107.08598	58.0
109.10154	43.0
117.07009	4.7
119.08583	42.8
121.10150	37.0
122.73463	2.9
123.11707	22.5
129.06953	3.7
131.08595	19.0
131.09389	3.0
133.08623	3.4
133.10152	27.1
135.11703	25.2
137.13255	12.5
142.07739	3.1
143.08557	7.9
145.10124	23.1
147.11703	26.5
149.13263	20.4
157.10136	17.0
158.10843	3.2
159.11717	25.8
161.13264	22.2
163.14801	10.0
169.10144	11.4
171.11720	14.3
173.13258	18.0
175.14813	15.0
177.16426	5.7
183.11707	9.0
185.13242	11.1
187.14839	12.2
189.16368	8.9
195.11647	4.9
196.12460	4.6
197.13275	8.6
199.14818	12.1
201.16417	14.2
203.17967	8.4
211.14861	8.0
213.16319	10.8
215.17993	7.7
217.19508	4.7
223.14796	5.5
225.16437	7.9
227.17915	5.7
229.19545	6.9
237.16385	5.0
241.19533	8.7
241.26015	3.3
243.21007	6.7
245.22632	3.8
246.66945	2.9
253.19553	4.7
255.21117	8.2
256.26273	16.7
257.26755	15.4
267.21149	4.6
271.24323	3.5
281.22763	4.9
283.24045	4.9
309.25766	4.0
311.29407	12.5
312.29749	14.3
323.27286	3.7
335.27625	4.6
337.28839	3.3
419.36914	3.4
463.91147	3.3
471.39957	3.5
541.47351	100.0
541.54047	64.7
542.47864	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	541.4776
Annotation	Asymmetrical zeta-carotene/ Asym. zeta-carotene/ 7,8,11,12-Tetrahydrolycopene
Peak:m/z	Relative Intensity
53.03942	4.2
53.87433	1.9
55.05509	18.3
57.07080	18.1
65.03951	4.4
66.58460	1.7
66.61348	2.0
67.05508	34.6
69.07071	29.5
69.37348	4.0
69.37749	12.1
70.06588	9.2
71.08622	8.4
79.05500	22.5
81.07062	92.1
82.44737	1.8
83.08610	12.3
85.10203	2.3
88.07636	12.4
89.06023	6.9
89.08013	2.7
91.05489	19.5
93.07047	43.8
95.05041	1.9
95.08615	79.2
96.23292	1.8
97.10179	8.0
102.09192	11.2
105.07040	46.0
107.08599	52.4
109.10167	50.9
111.11702	4.1
117.07014	5.9
119.08598	39.5
121.10156	40.3
123.11718	23.4
131.08572	16.2
133.08577	5.1
133.10153	31.7
135.11699	28.8
137.13266	8.8
142.07759	4.5
143.08575	12.6
145.10135	27.5
146.13995	2.0
147.11691	29.0
149.13293	18.7
151.14897	2.2
155.08536	5.2
156.09343	2.9
157.10132	20.1
159.11708	27.7
161.13292	23.7
163.14857	12.3
169.10121	10.1
171.11710	19.2
173.13277	24.1
175.14861	15.9
177.16376	8.4
181.10143	2.5
183.11726	7.3
185.13283	11.4
187.14822	16.6
189.16437	11.3
191.17967	4.1
195.11760	5.0
197.13272	9.4
199.14754	10.4
201.16428	12.5
203.17963	7.6
209.13246	6.2
211.14902	9.4
213.16486	10.8
215.17931	6.8
217.19531	3.7
223.14807	4.9
225.16391	7.9
227.17873	11.6
227.72499	2.0
229.19516	6.1
237.16354	3.6
239.17908	5.6
241.19646	4.6
243.21213	4.2
253.19511	6.6
255.21069	3.6
256.26376	18.7
257.22571	4.1
257.26663	12.7
265.19244	2.2
267.21118	3.5
269.22662	4.8
271.24133	3.4
281.22604	4.7
283.26581	3.8
284.26804	4.0
284.29593	2.6
285.29831	3.4
293.23029	2.4
295.24402	3.9
297.25772	2.3
299.27460	2.3
307.24191	2.9
311.29834	10.2
312.29785	19.8
321.25735	3.0
335.27350	3.0
337.28748	3.6
351.30341	2.3
351.55536	2.0
363.30521	3.6
377.32114	2.5
389.32098	3.1
391.33569	4.9
417.35172	2.3
433.38452	3.1
471.39597	2.5
485.41248	3.0
541.47412	100.0
541.54071	56.5
542.47986	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	542.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91592	0.8
54.28980	0.9
69.03429	1.2
70.06609	8.8
70.34902	2.0
70.35277	1.8
72.08175	5.8
74.00664	1.4
74.06091	1.5
82.48639	0.9
82.75803	1.1
83.06133	1.1
84.04498	2.7
84.08144	2.3
85.02903	4.0
86.09695	2.2
90.77276	1.0
91.05499	1.8
92.49699	0.9
97.02879	1.9
107.04945	8.4
110.07164	1.3
118.06562	2.3
120.01170	3.0
120.08126	2.8
122.02706	1.5
129.10205	1.1
132.01117	1.4
138.09158	1.2
141.07002	1.7
143.01678	2.6
146.06018	3.6
153.06963	5.4
154.07774	2.0
155.08566	1.9
157.06458	2.8
165.06996	7.0
166.08665	2.8
167.08603	2.3
169.06511	2.4
170.07234	3.5
171.08057	3.4
180.05714	1.3
181.06462	15.8
182.07239	5.3
183.08034	10.5
185.05952	1.5
185.09593	6.3
195.08061	4.4
197.05995	4.2
197.09630	6.4
198.06743	7.3
199.07561	7.2
208.05246	2.2
209.05986	19.0
210.06822	2.4
211.07487	7.0
212.08304	9.2
213.09119	68.0
214.09503	1.6
215.10760	2.0
217.08592	3.0
222.06781	3.0
223.02112	1.6
223.07393	1.1
225.05528	1.0
225.09096	8.4
226.06238	2.6
227.07031	10.6
228.07953	1.6
231.10204	1.6
239.07065	1.5
240.07813	26.6
241.03278	3.5
241.08604	100.0
242.09459	6.3
243.10184	55.7
244.10481	1.1
245.06255	6.6
245.08345	0.8
248.05733	1.3
255.04736	3.5
258.11066	1.7
259.09674	40.5
273.05823	59.6
274.14145	1.1
292.09952	1.0
335.93701	1.1
362.10608	16.8
380.11490	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	542.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
54.33454	0.7
60.50935	0.6
69.03416	2.0
70.06574	1.2
70.54167	1.0
70.54507	1.2
71.94345	0.7
79.05470	0.9
79.27435	0.6
81.03426	5.3
81.07068	1.4
82.05975	0.6
85.02879	1.8
87.16730	0.6
91.05499	1.8
93.07027	1.3
95.04977	1.1
95.08589	0.8
97.02897	2.3
99.04459	1.1
103.05476	29.3
107.04936	3.9
107.08643	1.1
109.02888	13.9
109.10145	0.8
117.07059	0.7
127.03947	3.2
131.04936	100.0
132.05280	0.7
139.03966	1.0
169.04990	2.0
187.06062	0.7
243.46252	0.8
275.09143	1.5
321.22803	0.6
335.11279	7.6
351.12454	0.9
523.57477	0.7
542.30029	3.1
553.27838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79538	2.7
53.03942	7.3
55.01865	4.2
55.05509	13.1
57.03420	7.2
57.07056	4.2
61.02930	6.6
61.39114	2.5
67.05191	4.0
67.05513	58.7
69.03430	20.3
69.07061	11.9
69.15946	5.0
69.16354	25.6
71.04971	6.4
73.02911	6.0
79.05093	3.1
79.05483	20.4
81.03408	12.3
81.06598	4.0
81.07057	65.6
83.08607	10.6
85.02907	100.0
85.06551	30.9
87.04459	3.7
89.29682	2.5
91.03974	6.1
91.05468	14.8
93.07052	24.1
95.04986	2.5
95.08070	4.3
95.08613	60.4
96.08932	2.7
97.02896	27.9
97.06526	4.0
97.10168	3.6
99.04479	5.1
103.08546	2.8
105.07027	14.3
107.08588	13.7
109.02879	6.2
109.06561	2.6
109.10155	37.5
117.07011	4.7
119.08588	13.0
119.59745	2.7
121.10145	14.3
123.11720	19.9
127.03917	19.6
131.08580	9.9
133.10144	15.0
135.11703	11.7
137.09628	4.1
137.13264	8.3
143.08623	2.7
145.04974	35.6
145.10091	7.6
147.11696	12.6
149.13416	2.8
159.11687	5.7
161.13271	6.6
163.06119	2.7
163.14987	2.8
165.12749	2.8
173.13188	3.9
187.14757	4.9
204.82848	2.5
209.15271	4.5
229.10628	4.0
231.17401	2.9
261.22162	8.9
277.21597	3.5
279.23203	26.2
327.26727	3.3
345.27988	5.2
541.53735	4.8
542.33997	21.6
542.53986	3.9
543.36847	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	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60137	0.6
55.05502	3.2
57.07077	37.8
67.05496	2.5
69.07078	2.8
69.37305	4.9
71.08635	26.3
73.06565	6.5
75.72135	0.6
79.05484	1.2
81.07054	2.6
83.04990	0.9
83.08617	2.2
85.10188	22.0
86.07995	0.7
87.04465	4.5
89.06031	100.0
91.05472	2.0
91.07613	0.9
93.07047	2.1
95.04959	0.8
95.08607	1.8
97.10155	3.7
99.11721	3.8
105.07041	0.9
107.07069	3.0
107.08617	1.4
109.10172	1.2
111.11740	1.0
113.13304	0.7
117.09142	4.1
119.08566	0.8
121.10152	1.0
126.49995	0.7
130.08647	1.5
131.08591	1.1
133.08604	48.4
135.10222	0.9
143.08513	1.0
155.17995	3.8
159.11646	0.8
161.11804	0.8
177.09689	1.1
177.11229	18.4
177.12708	1.1
199.20589	4.5
221.13828	3.5
235.64323	0.7
239.14841	1.5
240.23708	0.7
243.23195	7.5
251.62135	0.7
256.10617	0.8
283.17596	1.5
287.25754	4.9
291.47629	0.7
319.41183	0.7
327.19989	1.3
371.22800	4.7
425.10538	0.8
437.34650	0.8
525.40491	6.6
542.42712	0.9
542.54156	1.5
543.36737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67656	2.7
74.13342	0.5
75.44271	0.5
75.86710	0.5
119.82331	0.5
181.01801	0.6
192.80075	0.5
203.73521	0.5
259.78168	0.6
272.61273	0.6
279.03952	0.8
313.86102	0.6
363.06989	4.0
381.07959	16.2
382.07904	0.6
543.13245	100.0
544.13818	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	543.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01868	3.1
55.05519	15.4
67.05506	33.0
68.43536	2.5
69.03426	4.6
69.07065	13.3
69.37450	24.8
71.04978	4.1
79.05496	38.9
81.03445	6.0
81.06594	5.8
81.07060	100.0
83.04960	5.0
83.08604	7.8
85.06541	3.9
85.39644	3.0
91.05476	36.9
93.07038	35.1
95.04960	8.4
95.08620	23.0
97.06528	7.1
98.79029	3.0
103.05502	3.6
105.07037	41.1
107.04955	8.3
107.08602	42.3
109.06516	36.1
109.10136	8.9
111.08076	4.7
115.05519	3.2
117.03442	4.0
117.07033	17.0
119.08582	38.5
121.06482	3.3
121.10174	17.3
123.08013	4.5
123.11675	4.7
123.94675	2.9
125.09669	4.4
128.06239	4.7
129.06993	12.3
131.08575	34.9
133.06427	5.3
133.10104	23.3
135.08070	14.6
135.11646	9.7
137.09598	4.0
141.06998	5.7
142.07770	10.5
143.08562	25.9
144.09297	3.0
145.02837	11.0
145.10146	41.8
147.11700	15.2
149.09688	16.9
149.10715	4.1
149.13306	5.4
151.11119	3.3
155.08524	11.4
156.09306	5.0
157.10146	34.8
159.07999	3.3
159.11699	33.6
161.09631	16.9
161.13275	10.9
163.11208	7.3
167.08531	7.1
169.10124	10.2
170.10875	3.7
171.11703	21.4
173.09642	5.6
173.13278	15.4
175.11171	8.2
175.14717	3.7
177.05472	23.1
179.08562	4.9
179.10617	5.9
181.10129	9.0
183.11761	18.0
185.09650	4.2
185.13235	17.2
185.14684	3.2
187.11108	8.1
187.14790	4.7
189.12723	7.5
193.10164	4.3
195.11681	13.3
196.12648	3.2
197.13258	13.3
197.14839	3.0
199.11157	4.5
199.14789	10.0
201.12717	17.5
201.16385	10.4
203.10655	6.4
205.12265	4.4
207.11694	6.7
209.13301	12.9
211.14850	6.9
213.12778	3.7
213.16370	4.8
215.14275	6.7
215.17957	8.5
219.11632	5.1
221.13223	8.5
222.14059	3.6
223.14833	8.6
225.12805	4.3
225.16312	8.3
227.10547	3.5
233.15399	6.0
235.15021	3.8
237.16335	7.2
243.13722	7.4
243.17496	8.1
245.15411	8.8
249.16338	6.0
251.18018	3.7
253.15985	4.4
257.19034	6.8
259.16827	3.6
261.18503	5.2
263.17996	5.9
265.15906	4.0
265.19492	4.3
267.17487	4.5
275.20007	5.4
285.18405	8.4
291.17291	5.1
303.19635	7.5
307.20398	4.0
309.18585	4.4
309.21979	14.2
323.20172	5.0
323.23749	7.5
351.23328	17.5
365.24823	6.8
369.24350	18.4
376.02615	3.0
393.24188	13.9
411.25372	34.0
433.30792	4.5
451.31857	3.4
453.26059	5.7
471.27390	79.9
525.35498	5.1
543.36707	27.7
554.92078	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	543.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12262	2.0
53.03957	2.7
55.01861	3.0
55.05501	8.1
61.02916	3.8
63.11150	2.3
67.05499	8.4
69.03436	18.7
69.07069	16.5
69.63895	3.8
69.64206	12.8
70.06589	17.2
71.04983	5.4
72.08141	8.9
73.02920	2.4
78.01842	2.1
79.05482	8.7
81.03416	5.8
81.07053	10.1
83.04972	9.7
83.08594	2.5
84.08142	8.5
85.02904	21.2
86.09702	10.0
91.05489	15.8
93.07043	17.0
95.04967	6.8
95.08594	11.7
97.02885	9.6
97.06528	6.0
98.20720	2.5
99.04469	4.7
105.07036	26.4
107.04966	10.4
107.08601	40.4
109.02879	3.8
109.06516	5.4
109.10159	12.0
111.08109	2.5
116.07063	3.0
117.07022	3.2
117.86148	2.3
119.08598	31.2
120.07973	3.2
121.06487	5.4
121.10158	32.2
123.08070	12.9
123.11707	3.2
127.03903	5.6
129.07005	3.5
129.10216	4.3
131.08574	25.9
133.10136	91.0
135.08034	12.7
135.11710	19.5
136.07588	2.8
137.09615	6.4
142.07822	2.7
143.08531	6.1
143.11862	2.2
144.09309	2.6
145.04887	2.8
145.10091	13.1
147.08095	2.9
147.11699	19.7
149.09669	4.9
149.13249	14.1
151.02130	3.4
151.11189	4.8
156.09340	4.0
157.09996	5.0
158.10942	11.2
158.90285	2.4
159.08067	4.2
159.11673	9.8
161.09579	5.2
161.13237	6.7
163.14841	6.7
169.10136	3.7
171.11670	9.2
173.13264	49.3
175.11191	3.7
175.14790	13.8
179.01642	3.5
180.01883	2.8
181.10132	2.4
185.13289	2.7
187.11179	4.3
187.14839	5.2
189.12732	16.5
191.14319	100.0
195.11603	3.1
197.13324	4.9
203.14279	4.8
207.13638	2.4
209.13127	2.6
213.12778	2.7
213.16075	2.4
214.09421	3.2
215.14238	3.8
217.15860	2.9
230.45644	2.6
241.08202	3.6
243.17383	3.1
246.06554	2.6
274.06152	6.8
291.06790	5.1
292.07086	7.0
307.20737	3.8
335.18365	7.1
363.26764	16.8
381.27856	13.6
525.32104	3.9
543.25378	2.0
543.33063	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01864	4.8
55.05511	21.0
57.03428	6.7
57.07085	2.3
65.03914	2.4
65.49314	1.5
67.05508	32.8
69.03422	3.8
69.07077	11.1
70.18885	4.7
71.04955	1.7
78.37898	1.4
79.05076	2.1
79.05495	26.9
80.55759	1.6
81.03414	6.6
81.07057	32.4
82.74834	1.5
83.04974	8.7
83.08624	10.4
83.86344	1.5
85.06525	3.0
88.57007	1.6
91.05485	23.5
93.07050	23.5
95.04965	5.6
95.08607	22.0
97.06545	3.9
97.10167	12.9
105.04516	1.8
105.07029	21.6
107.04955	7.3
107.08595	17.8
109.06503	3.3
109.10149	10.4
111.08059	3.2
117.07025	13.3
119.08592	18.1
121.06521	4.0
121.10134	11.3
123.08064	3.6
123.11732	4.6
125.09679	9.3
125.10461	1.5
128.06219	3.5
129.06982	7.5
130.07800	2.2
131.08566	18.4
133.10136	12.4
135.08051	5.1
135.11711	7.0
137.09596	2.4
141.07014	3.4
143.08560	10.7
145.06465	5.1
145.10118	18.2
147.07988	2.3
147.11690	5.7
149.13271	2.9
155.08586	4.9
157.10072	11.2
159.08055	3.1
159.11711	9.5
161.13255	4.6
163.11165	4.9
167.08501	3.0
169.10124	5.5
171.08061	2.8
171.10355	1.7
171.11673	7.5
173.09625	4.4
173.13232	9.8
175.14876	2.8
181.10178	2.5
183.11719	6.9
184.17433	1.6
185.09668	2.4
185.13280	5.6
187.11232	1.7
187.14816	3.9
189.11235	5.1
193.10315	1.6
193.12296	2.2
195.08096	1.6
195.11693	2.3
197.13266	3.8
199.11179	4.1
199.14792	3.5
201.16393	2.1
203.14365	1.7
209.13440	2.5
211.14877	2.5
223.15005	1.7
227.12747	8.4
227.17889	1.6
249.16408	1.9
259.20633	2.2
261.22055	2.3
267.15881	1.8
275.20087	2.3
283.20618	3.2
297.22070	2.7
299.23618	8.7
313.11899	1.9
333.24643	1.9
339.23398	1.9
423.32883	2.6
433.25922	1.9
433.30930	8.8
451.31955	11.1
469.33295	4.9
487.33963	2.0
525.36029	16.2
543.36829	100.0
544.37177	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
52.09748	0.7
53.03946	4.6
53.60821	0.6
55.01873	3.9
55.05513	17.6
57.03428	2.2
57.07067	2.4
65.03937	2.9
65.53230	0.7
67.05508	39.7
69.03426	2.1
69.07072	12.3
69.33656	3.0
69.34082	3.5
71.04979	2.5
73.02906	0.8
74.35854	0.7
77.03913	1.0
79.05497	48.7
81.03409	2.4
81.07058	36.1
83.04996	4.9
83.08623	8.5
85.06558	0.9
89.59650	0.8
91.05486	25.1
92.66942	0.8
93.07046	59.1
95.04970	9.2
95.08611	45.7
97.02901	2.9
97.06519	4.7
97.10195	2.0
99.04478	3.2
99.08070	0.9
103.05479	1.2
105.04523	1.8
105.07028	18.1
107.04977	8.7
107.08601	34.3
109.06528	2.7
109.10162	9.6
111.04423	0.9
111.08069	1.8
117.07023	14.1
119.08580	17.9
119.09377	1.4
121.06516	4.5
121.10156	20.7
121.11021	1.3
123.11694	1.6
125.06010	3.1
128.06201	0.8
129.07094	1.6
130.07799	3.1
131.08548	7.2
133.10138	7.6
135.08072	2.4
135.11694	46.7
143.08560	2.5
145.10132	27.8
145.11302	1.1
147.11717	4.1
148.90771	0.8
149.13260	4.7
150.67920	0.8
153.12669	1.0
155.08585	1.3
157.10132	1.5
159.11682	4.3
161.13269	2.9
163.11188	49.7
171.11716	0.8
173.13287	3.1
178.07443	0.8
179.14337	1.1
181.12262	10.8
181.13739	1.0
187.14896	0.9
209.11781	1.4
227.12781	100.0
243.21130	1.2
261.22144	6.7
275.20062	1.9
277.21643	1.1
304.60278	0.8
317.25003	1.7
451.32062	2.2
507.35760	0.9
525.35706	2.6
543.36841	52.1
544.37201	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	543.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.05510	16.8
57.07076	6.9
59.18714	3.1
65.03934	5.1
67.05505	54.6
69.07063	28.7
70.88974	9.2
71.04985	12.6
71.08620	6.9
72.29858	3.4
79.05494	40.0
81.07059	100.0
83.08613	10.7
91.05482	35.0
93.06485	5.5
93.07049	65.2
93.85401	3.7
95.04961	9.3
95.08611	90.4
97.10194	5.9
105.07034	57.2
107.08595	54.6
109.06499	6.4
109.10167	45.2
111.08080	9.7
112.38250	3.8
117.07043	7.7
119.08581	59.4
120.08953	3.2
121.10147	44.4
123.11719	23.9
128.06213	3.8
129.07001	5.9
130.97023	4.4
131.08572	32.2
131.39642	3.2
133.10139	35.5
135.11681	30.7
137.13248	7.8
138.72917	3.7
143.08554	13.0
145.10124	39.2
147.11671	39.3
149.09631	3.3
149.13248	24.6
156.09406	5.5
157.10156	22.3
159.11687	44.7
161.13260	26.2
161.37421	3.1
163.14844	14.2
169.10107	11.3
171.11700	22.3
173.13306	23.2
175.14859	15.9
177.16457	8.9
183.11722	10.6
185.13278	13.2
187.14761	23.7
189.16396	11.6
191.17966	5.7
197.13264	8.7
199.14799	14.1
201.16435	11.9
203.18001	5.1
207.13811	6.1
209.13313	6.1
211.14870	6.0
213.16447	18.2
215.17888	16.5
217.19518	4.9
223.14880	3.4
225.16364	5.6
227.17931	15.5
229.19518	8.4
241.19472	7.8
253.19460	6.6
255.21054	10.5
257.22849	3.6
267.21057	7.6
269.22733	5.8
269.68210	3.4
271.56903	3.3
283.24063	6.8
288.82376	3.2
296.19522	3.1
297.25717	4.5
325.28885	6.7
525.44531	4.2
543.46100	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.493
Annotation	all-trans-Phytofluene
Peak:m/z	Relative Intensity
53.03950	2.3
55.05513	21.3
57.07071	5.5
65.03944	2.5
67.05510	30.8
69.07075	35.7
70.06653	2.3
71.08642	3.2
71.09337	4.1
79.05496	21.6
81.07062	93.7
83.08605	12.4
91.05495	19.7
91.29865	2.5
93.07053	39.6
95.08616	79.6
97.10168	9.8
105.07041	33.3
107.08607	47.1
109.10162	47.3
109.10854	3.7
117.07027	4.0
119.08593	39.6
121.10158	39.8
123.11702	26.9
131.08585	11.3
133.10165	25.7
135.11707	28.4
137.13274	12.9
142.07758	2.8
143.08586	5.7
145.10127	21.5
146.80611	2.2
147.11693	27.1
149.13290	23.7
156.09392	2.9
157.10146	12.1
157.66948	2.3
159.11705	25.3
161.13266	21.5
163.14871	14.9
163.95865	2.3
169.10126	2.8
171.11732	8.8
173.13310	17.3
175.14888	15.3
177.16460	7.6
181.10248	2.4
183.11749	5.7
184.63261	2.1
185.13263	4.9
187.14876	9.8
189.16367	12.3
191.18013	4.9
197.13316	5.0
199.14850	8.4
201.16446	9.4
203.18033	7.5
211.14961	3.0
213.16464	7.4
215.18024	8.5
217.19598	7.6
225.16275	3.2
227.17986	5.9
229.19540	5.9
231.21173	3.7
241.19684	5.4
243.20988	3.9
248.42043	2.1
255.21149	4.5
257.22656	6.3
267.21091	3.4
269.22720	4.0
271.24213	3.7
283.24188	4.6
297.25778	3.2
325.29105	3.8
365.32294	2.4
367.33115	2.4
393.34903	2.7
403.59851	2.8
433.38635	2.9
435.40033	2.6
461.41586	2.7
473.41516	2.3
537.88403	2.4
543.49249	100.0
544.49701	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	544.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.2
57.03451	2.2
57.07065	3.8
58.36934	1.8
59.05003	2.2
60.50136	1.7
67.05504	18.0
69.03439	28.6
69.07061	12.7
69.22569	20.7
71.04987	5.0
79.05498	12.4
81.03408	4.1
81.07068	24.3
83.04993	4.2
83.08607	8.0
86.47313	2.1
91.05472	11.3
93.07043	17.8
95.04977	29.1
95.08608	30.4
96.08936	2.5
97.06522	5.7
97.10152	2.3
98.20834	5.1
99.08106	3.0
105.07032	16.6
107.04927	5.8
107.08603	25.7
109.06513	3.1
109.10155	21.2
111.08073	3.8
117.07023	5.0
119.08595	23.4
121.10149	22.0
123.08071	6.0
123.11723	12.3
125.09595	2.4
127.18864	1.9
129.07025	2.4
129.55894	2.1
131.08543	9.4
133.10164	18.0
135.08049	6.0
135.11707	7.4
137.09602	5.3
137.13269	2.3
142.07866	1.9
143.08571	7.4
145.10130	14.8
147.11722	10.0
149.09605	4.8
149.13243	4.2
151.11205	4.0
151.98943	2.0
155.08598	2.8
157.10124	10.1
159.11702	15.0
161.09616	2.5
161.13275	24.1
163.11197	4.3
163.14880	2.7
164.11513	2.7
167.10701	2.8
169.10115	6.1
171.11716	10.4
173.13287	10.9
175.14828	7.7
177.12799	2.9
179.14307	2.5
181.10172	2.4
183.11734	6.8
185.13275	10.7
187.14804	9.0
189.12744	4.6
189.16396	4.8
195.11731	3.5
197.13254	7.4
199.14865	4.9
201.16437	4.1
203.14313	2.5
203.18042	3.6
209.13286	2.8
211.14813	7.1
213.16406	6.8
215.17944	2.9
217.15866	2.1
223.14859	2.5
225.16389	6.3
227.12709	3.5
227.18044	10.6
229.15837	4.5
231.17387	4.9
235.14890	2.6
237.16287	2.1
239.17891	3.4
241.16008	2.3
245.18987	14.3
249.16403	2.8
253.19565	2.4
255.17450	2.2
257.19037	4.8
259.20572	6.7
265.19595	3.3
269.19125	4.0
271.20554	3.5
277.19617	2.3
283.20547	4.0
285.21826	2.1
295.21011	2.2
295.23993	9.7
297.22098	3.1
307.73712	2.1
309.22134	3.1
311.23691	13.3
313.25272	53.8
337.25189	11.6
339.26651	5.5
351.26871	4.1
363.26810	19.0
381.27890	100.0
383.29446	3.1
412.32001	5.9
417.31616	5.9
425.34244	3.9
435.32388	11.8
453.33633	21.3
484.37735	5.6
544.38251	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	545.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.5
57.03416	0.9
58.98474	0.4
61.02914	1.0
69.03439	3.1
69.93449	2.1
70.06573	0.8
71.95220	0.4
73.02908	1.0
81.03365	1.1
83.81886	0.4
84.08139	1.0
84.96042	12.3
85.02914	6.2
86.09701	0.6
91.05463	0.6
97.02917	2.7
97.96820	3.4
98.97590	28.3
101.00858	0.5
102.97041	1.3
107.04975	5.6
109.02938	0.8
110.97574	8.8
112.99126	2.4
115.97790	1.1
116.98624	8.9
119.01902	1.1
124.99107	1.1
126.97057	0.6
127.03937	2.9
128.97713	0.6
128.98615	8.8
129.10229	0.5
131.00159	2.1
134.99646	1.7
136.06145	0.8
137.05934	0.7
140.98557	1.8
143.00177	5.0
143.01891	1.0
144.98050	1.5
145.03462	0.9
145.04941	1.4
146.99716	2.8
147.04431	0.5
149.01210	1.3
152.05673	1.3
152.98586	1.5
153.03996	0.7
155.01866	0.6
156.98027	0.6
157.03464	0.7
158.99675	4.7
161.01236	4.5
161.02562	0.7
161.03012	0.8
162.99182	1.0
163.00568	0.5
170.99651	3.9
173.01172	0.5
173.02936	0.9
174.99107	1.0
175.00604	0.5
177.00732	3.7
179.02208	0.9
182.99619	1.1
185.02939	1.0
189.00714	2.5
193.00034	0.5
193.01741	7.1
197.02782	0.6
201.00687	4.4
203.02164	0.5
205.01779	4.1
207.03334	1.5
211.02803	5.0
215.03992	0.7
218.27156	0.5
219.01772	21.6
221.05022	0.6
223.00763	1.0
223.02802	12.5
225.04338	0.7
227.02104	0.5
231.06645	0.4
233.01172	2.6
235.02797	0.5
235.06320	1.0
237.02835	26.6
238.03185	0.5
239.02287	0.6
241.03845	6.1
243.01717	0.6
243.05228	1.3
245.05206	3.1
247.01047	2.6
251.02269	12.0
253.04126	0.6
255.03944	0.8
260.02008	1.3
261.02841	1.9
265.02039	1.4
265.03864	2.7
269.03345	15.5
275.02243	1.3
275.05954	0.5
277.03845	0.9
279.03949	1.5
283.04993	2.0
287.04468	4.6
289.04028	0.6
293.03281	1.6
295.05026	0.9
307.04883	1.4
316.08746	0.7
325.06073	0.8
325.09583	1.3
329.03271	0.9
335.04178	0.8
337.05991	1.4
338.05368	0.5
347.04419	1.3
349.05981	0.8
353.05197	0.7
365.09341	0.9
367.06921	7.7
381.05191	3.4
381.09869	0.8
383.06482	0.5
395.06540	100.0
396.06894	3.0
413.07501	1.9
427.09167	0.5
436.09244	1.6
453.74634	0.5
469.12091	1.2
485.09711	62.3
486.09988	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75078	5.9
55.01863	9.1
55.05511	15.4
55.60255	6.4
57.03429	30.0
65.03948	6.3
66.49290	5.9
67.05492	41.2
69.07062	8.4
70.30569	5.9
70.60985	20.8
71.04993	8.9
76.26474	6.6
79.05484	21.8
81.03429	11.3
81.07050	23.5
83.05006	6.1
85.02895	13.4
85.06544	29.8
86.09667	7.2
91.05482	26.0
93.07043	23.1
95.04975	55.1
95.08593	17.7
105.07021	20.7
107.04960	56.2
107.08580	22.4
109.06530	64.2
113.06013	86.6
117.07041	8.3
119.08549	9.5
121.10133	10.6
131.04947	13.1
131.08553	16.2
133.10120	9.3
135.08080	44.0
147.08054	8.9
149.09624	9.1
159.11633	7.4
166.70709	6.0
175.11186	8.4
217.15857	13.7
220.89133	6.8
226.17819	7.0
262.09219	6.1
273.18521	23.8
291.19556	100.0
307.18994	10.1
347.22180	11.2
365.23276	96.4
369.36206	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91356	4.0
52.91968	4.1
53.03944	10.9
53.28722	4.7
55.01874	6.1
55.05509	15.8
57.03439	10.4
60.01529	3.7
61.02925	4.3
65.65726	4.6
67.05507	29.0
69.03429	6.8
69.07059	8.7
69.26077	9.5
69.26489	34.5
71.04996	6.0
79.05499	38.9
81.03419	8.8
81.07063	100.0
82.55696	4.1
83.04986	11.8
83.08620	7.4
85.02916	12.1
91.05487	22.8
93.07063	22.2
94.43925	4.5
95.04986	9.7
95.08602	22.0
95.70383	4.8
97.02925	6.7
97.06535	4.8
97.10178	5.2
103.05483	10.9
105.07058	16.6
107.04965	44.8
107.08588	12.7
108.05296	6.7
109.03003	4.0
109.06515	38.9
109.10159	11.0
111.04456	20.3
117.07011	13.3
119.08564	27.7
121.06509	13.3
121.10149	15.2
123.08057	8.2
125.09651	5.8
127.03918	7.1
129.07011	6.6
131.04936	12.3
131.08600	11.9
133.06543	5.0
133.10124	8.1
135.11649	6.8
137.09587	6.9
143.08572	8.2
145.10149	19.6
147.08060	8.5
149.09579	4.7
153.12682	7.0
157.10107	10.2
159.08130	5.2
159.11740	5.1
161.09680	8.2
163.11191	9.6
171.11685	4.9
181.12215	6.1
189.11224	7.2
227.12746	6.2
255.17328	5.6
273.18500	22.0
283.15274	5.0
291.19550	96.5
347.22217	14.4
365.23242	69.8
494.06210	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	18.3
55.01878	17.6
55.05513	53.1
57.03433	36.3
61.02931	60.1
67.05509	54.9
69.03429	38.5
69.07076	46.3
69.42107	37.2
70.06605	5.6
71.05005	11.5
73.02927	37.1
75.12691	4.9
79.05495	65.8
81.03423	34.3
81.07059	94.4
83.04986	31.9
83.08617	24.0
85.02904	70.0
89.16811	4.5
91.03956	30.0
91.05479	51.1
93.07057	38.9
94.92045	4.8
95.04985	26.3
95.08607	32.1
97.02892	45.6
97.06535	26.6
97.10180	48.9
99.04494	9.0
99.08094	20.5
101.02376	12.8
103.03938	7.4
103.05466	22.0
105.04545	4.3
105.07030	36.2
107.04961	69.1
107.08586	38.0
109.02888	18.6
109.06519	21.4
109.10175	25.2
111.04476	25.2
111.08061	8.1
115.03902	6.9
115.07556	6.7
117.07009	16.8
119.07859	7.1
119.08580	38.5
121.06528	16.8
121.10157	20.6
123.08070	33.7
123.11753	6.0
125.09666	36.1
127.03947	29.0
127.07584	10.0
129.07027	10.6
131.04919	47.7
131.08571	20.7
133.06517	14.1
133.10144	16.8
135.08067	15.9
135.11693	14.8
137.05901	6.6
137.09622	6.6
139.11218	5.4
143.08481	4.6
145.10149	19.2
147.04408	6.1
147.08046	13.5
147.11708	12.5
149.09642	16.2
149.13240	6.7
153.09151	6.5
153.12723	10.6
157.10139	15.5
159.04395	5.9
159.11671	22.3
161.09689	11.2
163.11212	34.9
165.09122	9.8
171.10254	6.3
171.11694	9.8
173.09683	8.9
181.12296	16.5
185.53355	5.9
189.11217	48.5
191.10707	10.9
193.12332	8.1
217.15959	5.6
223.13341	6.5
227.12805	22.3
238.68272	5.4
245.19073	6.2
253.08565	4.9
255.17509	12.6
255.83768	4.5
263.20084	8.5
273.18527	58.1
291.19537	100.0
309.20428	6.0
347.22192	10.3
353.07147	4.8
365.23270	26.5
383.24283	57.4
429.69891	4.9
458.30768	4.7
501.17215	13.7
527.28723	7.3
545.16083	26.8
545.33038	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.88159	0.5
55.01886	0.7
55.05514	1.2
55.85723	0.5
67.05512	2.5
69.03427	1.4
69.07064	1.3
69.17390	0.6
69.17797	4.6
77.03937	0.5
79.05504	3.8
81.03419	1.5
81.07061	2.8
83.08630	0.6
83.24646	0.5
85.02917	3.2
91.05485	1.9
93.07058	2.4
95.04988	1.1
95.08611	2.0
97.02898	1.0
97.10185	0.6
105.04523	0.9
105.07043	1.8
106.46552	0.4
107.04964	100.0
107.08592	1.5
108.05268	0.6
109.10156	0.9
117.07069	0.6
119.08575	1.2
121.10190	1.3
129.07005	0.6
131.04912	0.5
131.08601	0.6
133.06500	3.0
133.10100	0.6
135.04350	0.6
135.11664	1.0
145.04953	0.5
145.06526	1.4
145.10132	0.8
147.08034	1.2
151.83328	0.5
157.06517	1.7
161.09677	1.3
171.08116	1.6
173.09644	0.7
175.11235	0.5
183.08069	1.1
185.09669	0.9
197.09668	0.8
199.11197	1.1
208.08742	0.5
211.11238	0.7
235.17010	0.5
269.30420	0.5
277.21695	3.7
332.81693	0.5
365.24826	1.6
383.25848	11.6
383.30692	0.8
407.25806	0.8
435.31757	0.5
544.92590	0.6
545.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01872	3.0
55.05513	18.2
57.03432	5.1
57.07066	5.9
65.03938	5.8
67.05505	65.2
69.03423	17.1
69.06789	1.4
69.07077	15.9
71.05006	2.1
71.08620	2.4
71.48741	2.1
79.05495	52.5
80.05799	1.6
81.03404	6.9
81.07055	72.0
83.04990	3.5
83.08621	10.4
85.02910	5.6
85.06532	3.5
91.05473	40.6
93.07046	63.8
93.07648	3.2
95.04966	7.3
95.08607	52.1
97.02863	2.1
97.06538	5.8
97.10160	8.1
99.08127	3.3
105.04497	1.9
105.06325	1.9
105.07030	32.9
105.41078	1.8
107.04957	62.6
107.08594	39.1
109.06493	3.9
109.09381	2.1
109.10157	26.0
113.09624	1.7
115.05436	2.2
117.07030	14.6
119.04945	7.2
119.08586	23.4
121.02869	2.5
121.06505	2.9
121.10140	32.2
123.08076	2.5
123.11703	11.1
125.09615	2.8
127.03928	2.2
129.06979	5.9
130.07747	2.2
131.04938	2.6
131.08574	28.4
133.06471	8.0
133.10135	16.7
135.04381	1.8
135.08061	3.1
135.11693	22.4
135.12628	3.1
137.09615	2.8
137.13275	4.3
141.07066	2.9
142.07762	2.0
143.08566	4.4
145.06450	4.0
145.10126	19.4
147.04424	26.7
147.08022	4.4
147.11696	14.2
149.05989	3.0
149.09621	3.5
149.13271	19.5
153.12660	2.0
157.06424	2.8
157.10181	3.7
159.04326	1.8
159.08081	3.3
159.11670	18.9
161.05978	6.0
161.13304	6.6
163.11163	4.4
163.14815	9.7
165.12735	2.3
171.11731	4.9
173.13249	14.7
175.07672	2.0
175.14775	5.2
179.14290	3.1
183.11740	2.2
185.06027	3.7
187.07535	2.0
187.14809	10.0
189.05501	4.9
195.11575	1.8
197.13342	2.0
201.16370	2.6
203.07019	9.8
205.08632	3.7
205.15985	1.7
221.08093	3.7
225.16045	1.6
227.12796	2.9
233.22571	4.1
239.09143	2.4
243.21089	19.4
249.07555	12.7
259.20560	2.3
261.22137	100.0
264.79736	1.6
267.15866	2.8
275.19940	2.2
279.23151	8.8
299.23581	2.1
301.25348	1.9
327.91699	1.8
335.25763	2.4
345.32663	1.7
366.53717	1.6
435.32535	3.7
453.33374	6.1
481.29504	3.0
527.30426	3.0
527.37305	16.0
543.36432	1.9
545.31110	6.5
545.38464	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	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.7
55.70443	0.7
56.05034	2.7
57.05813	1.0
59.37101	0.8
67.23325	0.8
69.03454	1.0
69.07073	7.2
69.88155	2.0
69.88544	1.7
70.06600	12.6
71.06940	0.9
72.08160	100.0
73.08480	0.8
74.06079	2.4
84.04496	2.4
84.08152	4.8
85.02910	2.0
86.09712	92.8
91.05508	1.2
98.09674	2.3
100.07620	0.9
101.07138	1.7
105.07079	1.5
106.05043	1.2
107.04951	3.0
110.07167	1.9
116.07069	1.3
120.08075	1.2
121.82830	0.9
123.04453	1.2
127.03897	0.9
129.06673	1.0
129.10254	19.6
130.06587	1.2
136.07567	1.1
137.38538	0.8
141.10223	1.0
143.11810	33.5
157.09755	10.4
171.11305	32.3
173.12856	2.3
183.11305	1.3
185.16463	2.7
188.14050	1.2
189.10489	0.9
192.77632	0.8
195.14923	1.4
195.59135	0.9
197.16512	3.7
201.12357	2.3
205.11909	6.3
213.15947	1.5
225.15993	6.7
228.13409	4.3
239.17584	2.8
242.15051	2.4
242.18604	1.5
244.13017	1.0
262.13971	3.4
266.18634	1.1
269.12082	0.8
270.18121	14.2
272.16010	1.1
284.19760	7.0
298.17596	2.4
299.20792	1.7
313.22281	3.3
327.20291	10.4
338.24469	1.6
341.21848	27.5
357.21274	1.3
375.22467	11.6
395.26422	1.5
412.29160	14.3
440.28693	12.8
527.31531	1.2
545.21741	2.1
545.33221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
53.48203	1.4
55.01875	3.5
55.05512	31.9
56.75706	1.5
57.03446	8.8
65.03945	4.1
67.05509	59.9
67.36079	1.5
69.03427	4.0
69.07067	17.0
69.46481	10.0
71.04995	5.0
71.08637	1.8
73.53311	1.3
79.05026	2.1
79.05495	44.1
81.03423	23.9
81.07059	63.4
83.04964	8.1
83.08630	21.3
85.02899	7.5
85.06540	2.8
86.39534	1.4
91.05481	38.1
93.07045	47.2
95.04974	16.9
95.08612	36.8
97.06554	5.7
97.10163	14.8
105.04517	1.9
105.07034	37.6
105.07703	2.9
107.04954	5.3
107.08598	32.1
109.06519	6.3
109.10155	18.1
111.08092	7.2
113.06004	1.7
117.07005	15.0
119.08582	27.2
121.06525	6.2
121.10159	20.9
123.08083	2.9
123.11712	7.0
125.09655	11.0
128.06230	2.2
129.07016	10.6
131.08566	24.5
133.06430	2.4
133.10114	22.3
133.10965	2.3
135.08081	4.9
135.11687	13.1
137.09630	2.1
137.13159	2.1
141.06995	1.9
142.07870	1.8
143.08588	6.4
145.06514	1.8
145.10126	18.1
147.08080	3.5
147.11690	17.3
149.09695	4.4
149.13289	6.3
151.11169	1.9
155.08592	4.0
157.10162	8.3
159.11682	11.4
161.09674	1.9
161.13264	6.9
163.11209	3.5
163.14838	2.1
169.10191	1.5
171.10294	1.9
171.11729	5.6
173.13251	8.1
175.11205	5.4
175.14896	2.7
183.11740	2.3
185.13258	4.4
187.14893	6.7
189.11218	3.9
189.16342	1.7
193.12265	19.9
197.13298	3.3
199.14847	2.5
211.13242	14.1
211.15016	2.1
213.16484	1.9
221.13385	1.6
221.15273	1.7
223.14876	1.7
227.12779	7.4
237.50317	1.3
241.18118	1.9
243.21101	3.0
261.22058	9.3
267.15961	10.8
285.22144	3.9
289.21628	2.4
299.23755	2.7
301.22101	3.1
301.25180	14.0
303.23193	2.8
317.24927	3.0
335.25854	11.8
403.25156	1.8
417.31705	2.6
435.27530	1.9
435.32608	5.9
453.33777	12.3
471.35193	7.7
488.34787	1.9
489.36792	2.0
509.36346	2.6
527.37347	48.0
545.38409	100.0
546.38611	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	1.8
53.03936	6.1
55.01870	4.6
55.05514	37.7
57.01201	1.7
57.03433	9.4
57.07072	2.6
59.04996	2.8
65.03936	6.5
67.05508	69.6
69.03426	4.2
69.07072	20.0
69.72401	6.4
69.72800	3.2
71.04989	4.3
78.28104	1.6
79.05494	49.3
79.57804	2.0
81.03418	28.5
81.07058	68.6
83.04985	6.1
83.08630	21.1
85.02918	2.3
85.06530	4.8
91.05486	38.5
93.07045	47.8
95.04978	21.4
95.08619	39.4
97.06535	6.8
97.10167	21.9
98.21453	2.1
105.04505	1.9
105.07039	36.4
107.04953	10.3
107.08593	32.3
109.06524	7.5
109.10159	28.6
111.08106	4.1
115.05409	2.9
117.07021	14.8
119.08587	31.7
119.19585	1.9
121.06507	7.6
121.10143	19.5
123.08054	4.2
123.11705	7.9
125.09624	21.2
126.27295	1.7
128.06261	2.2
129.07008	11.5
131.08563	30.8
133.06493	4.8
133.10121	21.6
135.08054	4.4
135.11676	10.4
135.38853	1.8
137.09625	4.2
137.13310	2.7
141.07004	3.2
142.07800	3.0
143.08551	6.5
145.06450	2.2
145.10144	18.8
147.08055	4.3
147.11678	12.3
149.09645	4.9
149.13281	7.0
153.09116	1.8
155.08499	4.1
157.10126	12.3
159.08054	3.3
159.11693	14.1
161.09662	2.5
161.13205	9.2
163.11249	2.8
163.14922	2.1
169.10172	5.9
171.10269	3.2
171.11702	6.8
173.09607	1.8
173.13234	11.9
175.11221	3.9
175.14857	6.6
183.11766	4.3
185.13298	6.4
187.14836	4.7
189.11229	12.2
189.16493	2.4
193.12213	10.0
195.11760	3.2
197.13351	3.9
199.14862	3.5
209.13222	2.3
211.13200	2.5
211.14954	2.4
221.15518	2.1
227.12778	14.1
243.21121	4.3
247.16919	2.8
249.14764	2.2
249.18529	2.9
261.18317	2.2
261.22110	12.8
267.15906	18.1
285.22079	3.5
287.20126	2.2
299.23706	2.8
301.25229	22.5
303.23416	2.3
316.19412	2.1
335.25885	16.0
341.24573	2.4
357.28070	2.1
417.25848	2.2
417.31198	2.9
421.25919	2.8
435.27228	2.7
435.32571	10.7
453.33569	17.3
471.34955	9.4
509.36490	3.7
527.37341	54.2
528.38751	2.2
545.38373	100.0
546.38763	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
53.17958	1.9
55.01863	4.4
55.05514	30.9
57.03430	9.8
57.07071	3.3
59.01934	1.7
59.05010	1.7
65.03936	5.3
67.05508	78.1
69.03411	4.1
69.07072	23.9
71.04986	6.5
73.97157	1.7
79.05495	70.0
79.30786	1.9
81.03419	43.4
81.07058	75.3
83.04988	9.6
83.08616	23.4
85.02905	20.6
85.06535	3.4
89.39273	2.0
91.05486	56.7
93.07047	66.6
93.07642	3.4
95.04964	20.3
95.08609	47.3
95.09186	3.5
97.02910	2.6
97.06553	5.7
97.10172	8.1
98.20638	3.9
99.08108	2.2
103.05507	2.2
105.07034	42.8
105.07700	3.3
107.04941	5.0
107.08587	34.1
109.06528	6.6
109.10162	22.2
111.08067	9.6
113.06004	2.0
117.07011	11.5
119.04943	2.0
119.08588	32.6
121.06540	4.5
121.10150	32.3
123.08092	1.7
123.11705	7.2
125.09616	9.0
129.06989	12.9
131.08556	27.5
133.06490	2.1
133.10133	23.9
135.11691	17.1
143.08592	6.4
145.10112	15.1
147.11685	22.9
149.09608	11.7
149.13255	6.3
155.08594	2.4
157.10153	14.7
159.11716	13.0
161.13258	6.1
163.11177	3.2
165.12807	5.3
169.10037	2.4
171.11725	5.3
173.13283	7.5
175.11249	14.0
175.14893	4.1
183.11688	4.5
185.13293	5.8
187.14859	3.3
193.12254	35.2
197.13298	4.1
211.13274	33.6
227.12782	5.8
247.16855	2.8
261.22076	9.2
262.97223	1.9
267.15955	7.6
273.22284	1.9
279.23239	2.0
285.22238	2.1
289.21518	2.9
301.25235	5.5
335.25986	5.0
338.18338	1.8
363.25299	2.4
374.35059	2.0
405.36090	2.3
411.77945	1.8
417.31534	2.7
435.32736	7.4
453.33517	4.5
471.34897	4.8
522.52167	1.9
527.37238	29.5
545.38373	100.0
546.38403	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49482	1.6
53.03940	8.1
54.63953	2.0
55.01867	2.6
55.05514	36.1
57.03439	12.4
57.07074	5.0
58.22612	1.6
59.04977	2.0
61.01918	1.6
64.02465	1.9
65.03929	3.6
67.05508	73.3
69.03416	3.6
69.06794	1.6
69.07078	19.5
69.38454	7.6
69.38902	6.7
71.02331	1.5
71.04997	4.5
77.03944	2.0
79.05497	50.8
81.03425	37.7
81.07058	68.0
82.07405	2.4
83.04982	8.4
83.08627	24.4
85.02917	10.8
85.06554	2.9
91.05484	48.9
93.07050	54.7
94.71380	1.9
95.04974	23.9
95.08609	42.6
97.06535	7.2
97.10180	15.0
99.08111	2.0
105.04497	2.4
105.07043	36.6
105.07708	3.5
107.04955	8.7
107.08598	30.6
109.06511	3.9
109.10165	25.5
111.08101	8.0
113.06052	1.8
115.05462	3.2
117.07030	9.7
119.08582	30.5
121.06488	4.9
121.10161	25.7
123.08047	3.3
123.11723	8.7
125.09621	9.2
128.06206	2.1
129.07005	10.6
131.08585	27.0
133.06491	2.7
133.10132	22.2
135.08055	4.8
135.11679	15.1
137.09613	4.3
143.08615	5.2
145.10121	18.0
147.08054	3.7
147.11676	13.1
149.09616	5.0
149.13245	8.7
153.09099	1.9
155.08578	5.1
157.10117	11.8
159.11711	15.0
161.09596	2.0
161.13275	7.9
163.11166	3.1
163.14827	2.5
165.12752	4.1
169.10112	3.2
171.11697	4.3
173.13301	7.6
175.11237	8.7
175.14871	3.5
179.14371	2.2
181.10027	2.2
183.11716	2.1
185.13417	2.2
187.14828	5.5
189.11275	5.6
193.12239	26.1
197.13327	4.3
199.14783	2.2
205.12292	1.8
211.13275	26.7
211.14993	2.9
214.94774	1.9
221.15344	2.0
225.16408	2.1
227.12816	6.9
233.15611	1.8
243.21036	2.8
258.50342	1.8
259.20602	2.1
261.22159	13.3
267.15845	11.3
285.22125	2.7
301.25308	9.7
303.23462	1.9
317.24869	3.5
335.25894	9.4
417.31403	2.6
435.32294	8.4
453.33508	10.1
471.34702	5.0
527.37317	34.7
545.38416	100.0
553.91724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61400	2.3
53.03942	5.0
55.01875	6.1
55.05512	41.1
57.03429	10.6
57.07075	5.9
59.04983	2.7
65.03935	4.0
67.05508	84.7
69.03436	4.9
69.07069	30.1
70.61167	2.9
70.61538	7.3
71.00551	2.5
71.04999	5.9
79.05495	61.0
81.03420	21.8
81.07059	83.3
83.04973	6.3
83.08633	22.6
83.92809	2.5
85.06519	4.3
91.05485	53.1
93.07045	57.4
95.04973	21.3
95.08608	51.7
97.06512	5.2
97.10159	20.1
105.04503	2.6
105.07030	55.9
105.07704	4.4
107.04959	5.4
107.08595	36.0
109.06503	6.8
109.10162	25.8
111.08080	6.9
117.07027	22.2
119.08583	45.7
119.09379	3.9
120.96078	2.3
121.06505	6.7
121.10144	27.9
123.08114	4.2
123.11700	9.9
125.09644	16.4
125.25214	2.3
129.07004	18.2
131.08578	42.9
133.10109	26.2
135.08098	7.8
135.11697	15.6
137.09584	3.3
141.06985	3.8
143.08568	20.7
144.09314	2.5
145.10130	34.6
147.11685	24.7
149.09659	3.8
149.13264	15.9
155.08583	10.3
157.10167	20.6
159.11681	27.5
161.13287	15.2
163.11227	3.5
163.14801	5.1
167.08443	3.3
169.10115	11.9
171.10364	3.9
171.11597	15.4
173.13229	20.6
175.11186	4.1
175.14867	8.2
177.12700	5.2
179.08635	2.9
181.10173	2.7
183.11734	6.9
185.13260	14.5
187.14859	7.2
189.11238	6.4
193.12305	5.7
195.11707	4.1
195.13782	2.3
197.13321	8.8
198.75439	2.2
199.14868	10.3
201.16455	6.9
211.14862	5.5
213.16446	4.1
227.12791	10.5
241.19606	7.6
243.21214	4.8
259.20605	11.8
261.22189	11.3
267.15912	18.1
269.17551	10.6
285.22125	6.1
299.23587	4.3
301.25235	16.2
315.23215	3.1
317.24905	3.5
327.23434	2.6
333.24384	8.0
335.25769	11.0
359.26050	4.1
407.33502	4.9
417.31607	4.2
425.34412	4.1
435.32419	18.0
453.33661	23.4
471.34656	18.7
499.38147	5.1
509.36310	9.0
517.39026	11.5
527.37347	94.6
528.37238	2.8
545.38391	100.0
546.38916	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
54.70070	2.4
55.01861	5.5
55.05278	2.9
55.05513	41.0
57.03427	7.7
57.07050	6.6
65.03947	5.5
65.39957	2.2
67.05508	78.9
69.03423	6.8
69.07072	23.0
71.04981	6.9
71.09977	4.7
71.10326	2.3
71.32665	2.2
79.05499	57.6
81.03425	27.4
81.07060	72.0
83.04985	8.6
83.08630	19.7
85.06569	4.3
91.05485	50.5
93.07049	53.5
95.04972	22.4
95.08610	47.0
97.06536	6.1
97.10175	22.8
98.02446	2.1
105.07035	38.0
107.04973	9.5
107.08595	36.4
109.06503	4.6
109.10165	29.0
111.08093	6.3
115.05470	4.2
117.07015	21.2
119.08592	36.5
121.06528	7.7
121.10143	24.8
123.08048	6.1
123.11754	12.1
125.09644	23.2
126.21460	2.5
128.06212	2.2
129.07004	8.9
131.08591	32.1
133.06415	3.0
133.10144	26.4
135.08084	9.2
135.11665	14.3
137.09656	5.7
142.07814	2.7
143.08577	7.2
145.06491	4.7
145.10132	20.3
147.08092	2.6
147.11690	19.8
149.09573	5.9
149.13280	8.2
155.08597	4.7
157.10123	11.4
159.08112	3.5
159.11702	18.0
161.13261	10.3
163.11179	5.6
163.14760	3.9
169.10130	6.7
171.10338	3.5
171.11720	8.0
173.09625	3.7
173.11960	2.1
173.13263	13.0
175.11250	4.5
175.14891	6.2
181.10236	3.1
183.11726	4.6
185.13274	6.9
187.14857	7.0
189.11252	9.0
189.16376	4.9
193.12202	11.2
197.13318	5.2
199.14915	4.0
201.16519	4.1
227.12756	15.4
233.15424	4.2
243.21156	6.0
249.14938	4.3
259.20627	2.8
261.22153	15.1
267.15939	25.1
279.23163	2.9
285.22363	3.6
287.20096	2.8
299.23792	4.4
301.25217	22.5
303.23181	3.0
317.24771	3.6
327.23737	2.6
335.25800	12.0
365.27411	2.7
421.25854	3.3
435.27536	2.6
435.32620	12.6
453.33615	18.3
471.34927	15.7
509.35797	3.3
527.37360	66.6
545.38397	100.0
546.38135	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	545.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21869	2.0
53.03939	2.2
55.05515	18.0
57.07069	4.9
59.69025	2.1
60.46469	1.9
65.03934	2.7
67.05511	34.5
67.87939	2.0
69.07071	26.0
71.05003	17.2
72.20868	1.9
77.69611	1.9
79.05499	25.1
81.07059	93.1
81.08518	1.8
82.07380	3.0
83.04947	2.7
83.08633	14.4
85.06553	2.9
91.05476	22.8
93.07047	68.7
95.04959	6.4
95.08611	100.0
96.08947	4.4
97.06523	3.1
97.10176	10.3
105.06328	2.6
105.07034	50.6
106.07339	2.7
107.08597	58.7
109.06474	3.6
109.10154	59.1
111.08083	8.3
111.11727	3.9
113.09652	4.5
117.07019	7.9
119.08580	50.5
120.08953	2.6
121.09335	3.3
121.10147	43.6
123.11711	28.6
124.52840	2.1
129.06976	2.5
131.08575	18.1
133.10147	37.4
135.11696	31.7
136.12012	2.4
137.09616	3.6
137.13243	8.9
142.07733	2.8
143.08551	8.1
145.10132	27.9
146.10535	2.9
147.11682	30.6
149.13278	29.7
151.14836	2.4
157.10130	15.2
158.10834	2.9
159.11690	28.8
161.13261	30.0
162.13687	1.9
163.14821	21.7
169.10120	4.4
171.11656	8.8
173.13281	24.9
175.14857	17.8
177.16408	12.1
183.11674	4.3
185.13284	11.3
187.14801	16.5
189.16406	14.1
191.17934	6.7
199.14857	8.5
201.16429	13.7
203.17987	13.9
211.14781	3.2
213.16357	8.6
215.17970	11.4
217.19563	12.7
223.14717	2.2
225.16298	3.1
227.17915	5.0
229.19513	8.8
231.21043	6.9
235.97655	2.3
239.17943	4.3
241.19507	5.4
243.21097	3.6
245.22589	3.4
255.21233	3.6
257.22574	6.5
265.19736	2.2
271.24203	4.2
281.22510	2.5
285.25690	5.9
325.28845	3.4
327.30350	5.6
367.33768	3.1
395.36710	3.3
449.37704	4.5
487.42737	3.6
527.46100	6.9
545.47131	87.3
546.47198	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	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05514	6.5
57.03434	5.0
57.07063	2.1
60.77359	0.9
62.06069	1.2
65.05080	0.9
67.05512	9.1
69.07073	7.4
70.06570	1.6
71.04944	0.9
71.08640	4.5
71.48723	1.1
79.05493	7.1
81.07053	14.1
83.04965	2.4
83.08619	5.0
85.06505	2.1
91.05488	5.1
93.07043	8.1
95.04947	1.2
95.08607	10.4
97.06519	3.5
97.10169	1.7
98.98444	5.2
99.08080	2.8
105.07023	8.5
107.04929	1.9
107.08595	9.0
109.06526	7.7
109.10178	4.7
111.08061	2.6
117.06992	1.5
119.08580	9.3
121.06508	1.0
121.10153	4.7
123.08075	15.5
123.11689	2.3
125.09631	1.5
129.07036	1.6
131.08540	3.1
133.10138	9.4
135.08041	9.3
135.11691	2.7
137.09599	1.0
143.08508	1.5
145.10095	3.2
147.11659	6.4
149.09592	3.0
149.13228	2.6
150.94821	0.8
157.10048	1.2
159.11717	4.3
161.09627	1.1
161.13255	2.7
163.11145	1.7
165.12695	0.9
167.14316	1.4
169.10107	1.0
171.11575	0.8
172.85808	0.7
173.13240	1.6
175.11243	1.4
175.14833	7.5
177.12704	4.0
177.16452	1.2
179.14320	24.1
183.83527	0.7
185.13361	1.0
187.14847	0.8
193.15869	1.8
205.15921	4.1
215.70711	0.9
216.06377	1.0
223.16771	1.2
263.20135	1.5
271.20624	1.2
275.20013	3.0
289.21622	7.9
293.20993	3.3
303.26761	1.8
319.22653	1.6
331.26312	11.8
337.23898	1.2
347.25598	0.9
349.23611	1.7
349.27353	5.3
369.27744	1.7
374.30530	2.1
375.28857	2.4
387.28967	5.9
405.30014	100.0
406.30359	2.9
440.28503	0.8
485.26740	1.2
503.27887	5.7
526.47235	0.9
546.31580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.0
57.03424	4.0
60.22914	2.7
60.26021	2.4
67.05505	12.2
69.03430	3.2
69.07083	4.6
69.22112	19.9
69.22530	5.6
73.99246	2.4
79.05503	8.1
81.03416	3.0
81.07064	11.9
83.04966	4.3
91.05481	10.0
93.07059	16.6
95.08623	7.8
100.09643	2.6
105.07025	12.2
107.04976	10.4
107.08591	7.2
109.02882	3.0
109.06506	5.3
109.10158	5.5
117.07014	5.8
119.08579	8.8
121.06516	6.4
121.10146	7.3
123.11725	3.3
131.08559	9.7
133.10152	7.7
134.40056	2.6
145.10123	9.5
147.11674	9.5
149.09648	3.8
159.11737	5.0
201.12617	3.0
209.84416	2.7
222.83228	2.8
245.07521	2.8
257.19049	3.6
275.20062	40.3
293.20978	2.7
302.05707	2.3
318.78445	2.5
349.23743	100.0
367.24826	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.7
57.03428	7.7
59.74464	6.7
67.05502	38.2
69.07050	13.6
69.57645	41.9
70.95473	7.2
79.05484	24.2
81.03419	12.7
81.07051	23.1
83.04946	11.0
83.08626	11.2
86.19000	7.0
86.57051	7.2
91.05464	25.8
92.40156	7.0
93.07034	29.1
95.04994	9.9
95.08605	14.7
97.06543	6.8
105.07024	31.1
107.04951	28.3
107.08595	15.7
109.06540	8.0
117.07002	12.9
119.08591	32.3
119.34582	6.9
121.10179	10.2
125.09643	9.6
131.08553	11.3
133.10167	17.2
145.10130	14.7
151.11089	10.1
159.11713	8.6
163.11201	7.5
177.12756	18.6
179.01108	7.7
179.14297	10.6
275.19946	16.4
304.65399	7.9
309.96640	7.9
349.23752	100.0
367.24777	8.3
405.29779	36.2
450.29092	8.4
546.35864	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31487	2.1
55.05497	7.4
57.03441	5.2
57.60508	2.1
67.05509	16.1
69.03442	3.0
69.07064	9.0
70.06597	2.1
70.65426	2.7
70.65776	6.6
79.05511	16.7
81.03422	6.5
81.07059	23.1
83.04976	4.1
83.08638	5.7
91.05492	22.8
93.07057	14.6
93.76752	2.3
95.04965	3.9
95.08616	11.8
95.99692	2.7
97.02868	2.9
97.06538	5.1
105.07032	18.4
107.04955	2.9
107.08581	6.9
109.02895	3.5
109.06564	5.5
109.10155	6.7
115.03969	2.4
117.07005	7.9
119.08585	20.7
121.06493	3.4
121.10123	7.0
123.08047	2.8
128.49319	2.3
131.08583	7.0
133.10158	18.0
135.08049	5.0
135.11662	3.0
143.08606	3.0
145.10150	6.5
147.06834	3.2
147.07953	2.7
147.11719	8.0
149.09578	2.7
149.13286	2.9
157.30121	2.7
159.11700	8.7
173.13327	3.3
257.18863	2.9
275.20084	22.7
349.23761	100.0
419.24158	3.1
446.93936	2.7
475.26825	3.8
511.28821	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	546.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
61.02922	9.0
64.06329	3.7
67.05508	55.5
69.07069	8.2
71.48329	2.9
71.89021	3.3
73.02937	3.1
79.05495	27.1
81.07065	47.8
83.08619	4.9
85.02913	10.6
85.06577	3.6
91.03921	5.8
91.05506	16.8
93.07046	37.7
95.08611	41.9
97.02877	5.1
97.10168	3.0
99.08108	3.4
105.07034	14.9
107.08604	27.0
109.10179	29.7
117.07034	6.2
119.08566	8.7
121.10160	20.1
123.11686	16.0
131.08568	11.4
133.10121	13.7
135.11687	20.8
137.13257	12.6
145.10159	15.3
147.11668	8.3
149.13229	18.1
159.11687	13.2
161.13255	11.0
163.14830	13.3
173.13281	10.0
175.14796	2.7
177.16348	5.8
187.14868	9.5
229.39037	3.0
243.21129	29.6
261.22150	100.0
279.23257	6.0
335.25873	29.0
353.26938	29.1
405.30191	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	547.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20043	2.1
53.03946	3.5
55.01867	7.7
55.05519	17.1
57.03436	10.8
61.02924	4.0
67.05508	35.8
69.03421	3.2
69.07076	22.2
69.46424	16.3
69.71077	2.2
71.04987	6.1
71.76118	2.2
79.05494	36.5
81.03420	7.9
81.07059	93.1
83.04989	4.0
83.08626	16.5
85.02905	10.9
85.06556	4.0
91.03956	3.5
91.05479	27.1
93.07048	29.8
95.04959	9.3
95.08607	28.8
97.02913	5.9
97.06535	9.6
98.21522	3.1
99.08129	3.3
99.40530	2.6
103.05422	3.4
105.07035	29.7
107.04954	23.9
107.08611	22.8
109.02896	4.1
109.06513	30.9
109.10184	9.6
117.07027	8.3
119.08590	22.7
121.06517	7.2
121.10154	14.2
123.08080	7.9
123.11737	7.0
125.09666	3.1
127.03923	5.3
129.07028	5.0
131.04971	5.2
131.08580	9.4
133.10136	15.0
135.08110	5.1
135.11713	7.6
137.09636	4.1
145.10123	15.0
147.08096	3.1
147.11710	15.4
149.09616	5.3
149.13275	7.3
151.07556	3.5
155.08580	2.8
157.10110	3.4
159.11700	10.9
161.13232	3.3
163.11174	8.6
165.12733	5.1
171.11758	4.4
173.13300	4.7
175.11201	2.8
177.12784	3.1
192.83444	2.2
201.12787	2.9
215.17891	3.1
223.81476	2.5
229.19350	2.7
247.20538	3.2
257.19046	4.6
275.17303	5.0
275.20056	50.9
293.21036	12.5
295.54340	2.8
342.09262	2.9
349.23749	71.1
367.24811	100.0
401.56812	2.8
529.30011	2.9
532.14368	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	547.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.4
55.05512	36.0
57.03439	9.8
66.49505	3.6
67.05503	30.9
69.03432	7.9
69.07068	20.2
69.79472	3.4
70.44006	3.2
71.04986	10.5
71.48054	4.5
76.96853	3.4
79.05486	39.9
81.03409	12.2
81.07051	33.0
83.04976	16.4
83.08622	24.9
85.02905	10.2
85.06597	6.9
91.05483	29.3
93.07050	30.9
95.04960	50.4
95.08604	22.8
97.06463	7.3
97.10159	10.0
98.48106	3.5
99.04456	6.3
105.07034	29.5
107.04969	38.6
107.08595	30.7
109.06514	8.7
109.10151	15.5
111.04447	12.0
117.07029	7.6
119.04921	5.6
119.08589	24.1
121.06533	9.7
121.10175	18.5
123.08083	5.6
125.09612	10.3
129.07040	3.7
131.04932	15.5
131.08562	18.9
132.82198	3.5
133.06520	4.3
133.10121	14.5
135.11714	9.7
137.05971	10.2
137.09564	4.3
145.10135	16.1
147.11681	14.6
149.09619	19.5
149.13280	5.0
159.11783	10.6
161.13301	4.0
163.11159	27.9
165.09190	3.7
165.12753	4.5
171.11681	5.3
174.47032	4.2
175.11151	4.2
189.11243	7.4
205.12274	6.3
206.54025	4.1
206.55945	3.9
213.09109	11.1
223.13268	33.6
257.19183	5.3
269.17316	4.6
275.20035	45.4
293.21103	29.1
349.23685	11.9
367.24823	100.0
547.25500	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	547.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61010	2.9
52.64293	3.4
53.03957	6.8
53.77509	3.0
55.01877	5.0
55.05514	44.1
56.19018	2.8
57.03438	9.3
57.07080	7.7
59.63577	2.7
64.04110	3.0
65.03931	7.2
67.05508	90.3
69.03419	10.3
69.07071	27.5
69.20032	5.8
69.20428	27.7
71.04991	9.5
71.48577	3.0
79.05499	59.7
81.03423	9.3
81.06593	6.3
81.07061	100.0
83.05009	7.4
83.08626	14.3
85.02912	11.8
85.06556	7.5
86.38818	3.0
88.87018	2.7
91.05489	42.7
93.07050	60.5
95.04961	12.7
95.08612	62.9
97.02882	5.6
97.06525	10.3
97.10199	7.0
105.07040	37.6
107.04962	78.8
107.08585	34.5
109.02933	3.9
109.06527	3.0
109.10158	30.8
111.08149	6.3
116.47732	3.0
117.07016	16.5
119.08571	29.9
121.06499	8.8
121.10146	30.1
123.04426	27.9
123.08020	3.7
123.11726	14.3
125.09602	6.3
129.06979	7.4
130.45634	3.8
131.04901	6.9
131.08574	21.6
133.06505	11.0
133.10117	27.4
135.08025	4.2
135.11673	20.1
137.13338	4.0
141.07054	5.8
142.07822	3.8
143.08588	8.4
145.06458	19.6
145.10138	12.5
147.04460	5.1
147.08034	6.5
147.11707	18.0
149.05983	9.9
149.09641	6.2
149.13298	13.7
151.11224	6.8
155.08621	3.4
157.06494	21.8
157.10161	8.6
159.08076	4.8
159.11690	20.6
161.09679	5.5
161.13287	13.3
163.11211	4.5
167.08635	6.3
169.06534	11.2
169.10138	3.6
171.08057	8.8
171.11676	5.9
173.06021	9.9
173.09587	5.3
173.13287	5.5
175.11162	5.9
175.14926	3.7
181.06511	8.7
183.08075	10.0
183.11714	4.2
185.09639	6.1
185.13304	6.9
187.11224	4.0
187.14870	6.1
193.12309	4.3
195.08046	5.9
195.13821	6.4
197.09644	7.2
199.11237	4.1
199.14766	3.6
201.12694	4.0
211.11256	9.6
211.14873	4.2
213.09129	5.1
213.12770	6.5
215.06909	4.1
215.14383	3.6
223.11194	5.3
225.12814	7.8
226.12740	3.0
227.10645	4.6
239.14227	3.9
243.15967	7.5
251.14377	5.4
261.22107	6.5
269.10165	8.5
269.17395	4.5
287.23737	10.2
291.23196	4.6
297.50977	3.2
298.16180	2.9
367.26349	5.3
377.24768	4.1
385.27322	11.7
389.24518	4.7
409.27347	10.8
425.32755	6.1
433.27161	9.9
437.34427	5.7
444.52783	3.9
451.28479	7.5
455.35141	3.7
473.36545	4.4
475.28497	7.1
493.29337	4.2
503.37323	5.9
529.38800	32.6
547.40479	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3982
Annotation	Allopurpurin
Peak:m/z	Relative Intensity
53.03934	2.2
55.05507	13.3
57.03448	4.9
57.07067	4.3
65.03938	2.4
66.82278	2.0
67.05512	35.0
69.07076	13.7
69.24349	12.0
69.24766	5.5
71.08621	3.5
79.05493	24.4
81.03437	5.0
81.07062	39.3
82.07452	1.9
83.04984	3.6
83.08617	7.5
85.06568	2.6
91.05485	24.1
93.07053	35.9
94.07386	2.3
95.04965	3.9
95.08610	33.1
97.06541	4.4
97.10147	3.4
98.20796	3.2
98.33736	1.9
99.08122	2.6
105.07036	29.4
106.92326	1.8
107.05009	2.6
107.08588	23.7
109.06525	2.4
109.10175	20.1
111.08107	3.0
112.04116	1.9
117.07047	5.9
119.08599	30.8
121.06493	3.9
121.10142	21.5
123.08051	2.2
123.11706	6.4
125.09608	2.5
128.06235	2.3
129.07021	4.8
131.08565	17.1
133.10130	23.7
135.11668	15.3
137.09608	2.6
141.07011	3.9
142.07791	6.8
143.08556	9.3
145.10132	24.7
147.11699	12.9
149.13300	7.3
155.08583	4.8
156.09373	3.0
157.10152	19.5
159.11703	14.5
161.13268	8.5
163.11246	4.1
165.12816	2.4
167.08585	2.9
168.09366	3.1
169.10159	8.9
171.11697	12.9
173.13309	8.0
175.11133	3.2
175.14857	5.6
179.08565	4.2
181.10175	5.5
182.10997	2.3
183.11769	8.6
185.13329	10.9
187.14883	5.4
193.10194	2.5
193.12207	2.8
194.10831	3.9
195.11815	4.2
195.13818	2.2
197.13287	8.0
199.14841	6.6
201.16371	3.9
207.11801	5.4
208.12422	3.0
209.13330	7.5
211.14882	6.1
213.16411	4.1
221.13211	4.8
223.14824	4.3
225.16475	4.1
227.12828	4.5
231.11908	3.1
233.13232	2.8
235.14972	2.9
237.16335	4.7
239.17989	3.4
245.13368	2.4
247.14975	3.0
249.16360	2.6
251.17957	4.8
261.16562	1.9
263.18063	3.0
265.19427	4.1
267.16129	2.9
267.21426	2.5
271.14755	3.2
273.16284	3.0
277.19186	2.1
281.19083	2.4
291.51266	2.1
299.17996	2.1
301.84344	1.8
307.20883	2.2
317.48300	1.9
335.25925	3.4
419.33212	2.1
428.46277	2.3
437.34259	6.5
455.35056	9.2
473.36505	6.8
503.37460	3.9
511.37787	2.4
529.38861	34.6
530.39795	2.8
539.27667	2.3
547.39551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43772	1.5
53.03938	6.3
55.01861	3.3
55.05275	1.8
55.05515	24.0
55.32206	1.5
57.03426	9.1
57.07065	3.2
65.03923	3.6
67.05507	78.2
69.07073	27.9
69.16123	10.4
69.16550	6.4
71.04996	4.3
71.08626	1.6
79.05496	49.3
80.58404	1.6
81.03415	2.1
81.07058	100.0
81.97670	1.5
83.04980	5.2
83.08636	16.5
85.06534	4.4
87.52013	1.4
91.04980	2.6
91.05491	30.2
93.07048	60.0
94.51103	1.8
95.04960	6.5
95.08610	56.9
97.06528	9.4
97.10165	4.9
105.07030	29.7
107.08594	39.1
109.06477	2.0
109.10159	25.6
111.08068	3.3
117.07002	12.0
119.08577	25.8
121.10150	27.8
123.08102	2.7
123.11706	11.1
125.09608	2.2
129.06985	3.9
131.08578	21.9
133.10144	18.2
135.07956	1.7
135.11699	16.5
137.13232	2.5
139.49553	1.6
141.06964	1.7
143.08548	5.2
145.10136	15.6
147.11725	15.3
149.13277	21.1
155.08589	3.0
157.10124	6.8
159.11676	16.5
161.13249	8.8
163.11176	3.4
163.14742	4.3
165.12769	2.4
169.10110	3.2
171.11694	6.8
173.13268	7.1
175.14816	4.6
177.12712	5.7
179.14276	1.7
183.11688	2.0
185.13298	3.3
187.14818	4.0
189.16408	2.4
195.11787	1.6
195.13828	9.5
197.13318	2.3
199.14761	3.7
213.16438	2.0
229.14342	1.9
241.19501	2.1
243.21106	2.5
247.20638	2.4
259.20660	1.9
261.22183	16.4
267.15942	4.7
269.17422	20.0
279.23230	2.0
287.23666	3.6
301.25223	4.4
317.24774	3.8
335.25806	18.8
375.28818	2.0
419.33344	2.0
427.35382	3.1
437.34216	8.1
455.35028	9.5
473.36237	12.7
503.37302	2.8
511.38235	3.2
529.38971	62.6
547.39972	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	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01870	8.0
55.05507	27.4
57.03438	10.1
57.07071	7.8
58.53113	3.3
62.67941	2.7
64.45401	2.5
65.03939	7.9
67.05505	100.0
68.05834	3.0
68.49697	2.9
69.03416	3.4
69.07066	32.5
71.04992	8.2
71.08640	7.0
71.22159	6.2
75.00800	2.9
76.97683	2.9
77.03930	3.5
79.05492	66.9
79.63889	2.8
80.05848	2.7
81.03421	11.2
81.07059	98.2
82.03745	3.5
82.07409	4.5
83.04987	8.8
83.08616	18.1
85.02884	3.2
85.06557	7.2
87.29777	2.6
89.06052	4.1
91.04914	4.4
91.05476	53.4
93.07043	82.7
94.48171	2.8
95.04975	12.9
95.08611	71.0
95.09183	5.2
96.08958	3.6
97.06526	16.8
97.10163	10.2
99.08100	4.1
105.07032	45.7
106.07397	3.2
107.04974	8.0
107.08594	46.7
109.06493	6.4
109.10155	40.8
111.08093	6.3
117.07019	17.3
119.07810	3.5
119.08597	36.2
120.09002	3.6
121.06519	3.2
121.10155	35.9
123.04454	22.5
123.11672	13.7
125.09623	4.8
128.06201	4.8
129.07021	9.5
131.08578	34.6
133.06503	2.8
133.10121	34.6
135.08116	3.7
135.11699	21.4
139.11157	2.8
143.08568	11.2
145.10121	25.7
147.08063	3.1
147.11696	28.5
149.09628	2.9
149.13261	19.8
151.11211	6.1
155.08510	3.6
157.06450	3.5
157.10150	12.1
158.99411	2.5
159.11678	19.4
161.13293	10.6
163.11188	3.1
163.14803	4.0
165.12750	5.1
165.72527	2.7
169.10127	6.0
171.11728	7.0
173.13286	13.3
175.11218	4.1
175.14821	5.5
177.12773	6.7
179.14363	4.9
183.11723	4.5
185.13277	7.5
187.14801	6.9
193.12221	4.6
194.12663	3.2
195.13937	4.9
197.13252	3.8
199.14816	5.0
201.16287	3.8
211.13261	4.0
212.13652	4.7
219.17490	3.1
259.20694	5.1
261.22092	22.3
267.15848	6.6
269.17371	13.8
277.21637	3.3
287.23703	5.3
335.25751	13.1
419.32968	3.1
425.32654	6.3
437.33957	19.9
455.35324	17.4
473.36060	10.5
503.37155	4.5
511.37723	6.6
529.30621	3.7
529.38770	78.4
547.40240	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98928	2.2
55.01857	3.5
55.05511	11.8
61.02927	9.0
67.05495	5.0
69.03428	21.6
69.07072	22.5
70.06594	18.1
70.93280	5.3
71.04980	3.1
72.08159	5.6
73.02927	4.2
74.06030	1.8
79.05499	7.0
81.03413	4.7
81.07039	13.3
83.01337	3.5
83.04971	20.9
84.08145	5.8
85.02901	32.2
85.06526	2.7
86.09701	10.9
91.03946	6.1
91.05477	12.1
91.95002	1.9
92.62194	1.7
93.07041	12.5
95.01318	7.5
95.04956	10.9
95.08612	23.7
97.02872	7.3
97.06527	5.1
97.10157	11.0
102.05585	2.8
103.05491	3.2
105.07038	18.1
107.04963	13.1
107.08600	13.7
109.02863	5.9
109.06522	5.3
109.09536	2.4
109.10166	17.9
111.04424	2.7
111.08082	2.2
113.02402	3.9
117.07050	3.5
119.08584	54.6
120.08085	4.2
121.06521	4.6
121.10133	25.7
123.04424	5.0
123.08093	12.6
123.11719	9.1
125.06003	3.7
125.09612	2.6
127.03913	6.3
129.10246	2.8
131.08562	4.0
133.10136	88.4
135.08029	8.9
135.11713	4.6
137.05962	5.7
137.09598	2.3
139.03880	6.3
141.01889	2.3
141.05446	2.3
143.03392	3.5
143.08543	4.0
145.04973	5.4
145.10138	8.0
147.08008	5.4
147.11687	31.8
149.05983	2.8
149.09660	2.4
151.07550	7.1
153.05444	4.2
153.09111	6.7
157.04976	7.6
157.10052	1.7
158.93530	1.8
159.06506	3.5
161.09628	3.9
161.13248	12.0
165.09108	2.5
165.12671	2.3
167.07051	6.5
169.04970	4.1
171.11726	2.6
173.13319	2.1
175.14832	93.8
176.15533	7.9
177.03848	4.2
179.07071	4.3
180.08691	2.2
183.06548	10.6
185.08090	5.0
185.13202	1.9
187.14803	3.4
189.09102	3.2
189.12766	4.4
193.15881	7.5
197.08218	2.1
203.05524	6.5
203.14369	2.8
207.10240	2.8
207.13832	5.0
209.11714	2.4
211.06061	10.4
211.09711	3.3
213.07594	2.2
213.12901	1.8
215.05513	23.1
225.11201	6.7
229.07083	34.5
243.08678	12.0
253.10719	3.4
255.13982	2.4
257.10117	12.2
259.57162	2.1
271.11758	37.3
294.65912	1.8
295.11728	2.7
300.09601	2.0
305.17377	6.0
315.15698	2.4
323.18771	2.4
333.16760	3.1
351.18015	100.0
369.19058	4.5
381.19724	2.1
548.18524	2.3
548.27307	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	548.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80346	3.3
55.05516	19.1
57.03434	8.9
57.07074	5.4
61.02933	8.9
67.05505	64.4
69.07066	21.7
69.35412	28.0
71.05003	4.6
71.08619	5.3
79.05502	22.4
81.07059	74.3
83.08625	24.3
85.02912	9.8
91.03966	6.3
91.05471	17.7
91.43375	4.1
93.07056	29.5
95.08611	67.5
97.02891	7.7
97.06559	5.1
97.10168	15.4
105.07043	16.7
106.07342	4.6
107.08608	19.5
108.08932	4.7
109.10162	29.5
109.74133	3.6
111.08096	5.4
111.11745	5.2
117.28362	3.9
118.07400	4.4
119.08593	15.5
121.10123	21.0
123.11687	18.6
127.03891	5.4
131.08601	6.4
133.10133	22.3
135.11713	11.9
137.09604	4.9
137.13206	6.5
141.12733	4.8
142.47124	3.9
145.10074	4.6
147.11723	10.4
149.13272	16.1
151.14867	6.5
161.13280	12.1
163.14853	15.1
165.16444	10.1
175.14833	14.5
177.47643	4.0
179.17937	10.7
184.07356	6.1
189.16408	5.1
206.04005	4.0
245.22673	79.1
263.23724	100.0
281.10648	3.8
337.27341	65.3
355.28336	6.3
442.38666	3.7
530.38367	12.1
548.39435	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	548.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	26.3
57.07069	13.1
61.02909	6.3
66.80882	3.5
67.05141	5.5
67.05503	89.0
69.03419	4.0
69.07069	25.1
69.73146	7.0
69.73441	26.9
70.68836	3.8
71.04971	5.0
71.08636	9.3
72.02985	3.7
73.74911	4.0
79.05486	23.6
80.05792	5.4
81.07057	100.0
83.04967	5.7
83.08615	26.5
85.02895	4.5
85.06576	4.5
91.05474	20.8
93.07036	38.5
95.08604	87.5
97.06512	5.6
97.10163	13.6
104.10722	6.7
105.07038	21.3
107.04929	5.6
107.08578	21.6
109.10161	43.4
111.11768	4.6
117.06921	4.9
119.08566	23.4
121.10167	33.6
123.04430	15.5
123.11688	21.2
125.13222	5.0
133.10120	11.9
135.11609	9.3
147.11644	7.4
149.13229	10.9
151.93431	4.2
161.13268	13.8
163.14818	9.1
165.12772	4.3
165.16364	4.9
175.14777	12.0
177.16370	11.9
179.17966	8.5
184.07271	9.6
189.16281	7.1
191.33118	4.8
193.19539	4.4
256.42514	5.4
259.24203	52.6
277.25269	84.0
351.28906	62.2
362.64105	4.8
369.29788	6.0
496.79437	4.8
548.39606	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01855	5.4
57.03433	10.4
61.02921	10.4
61.69785	1.3
67.05497	2.7
69.03431	30.8
69.07048	1.8
70.60460	1.7
70.60796	3.4
71.04977	3.3
73.02915	5.0
79.05494	3.4
81.03430	15.1
81.07045	8.4
83.04984	1.7
85.02911	84.0
85.06538	8.2
87.04463	6.1
90.16647	1.6
91.03954	4.8
91.05468	6.3
93.07037	5.8
95.04950	2.7
95.08617	3.6
97.02898	28.4
97.06523	3.5
99.04440	5.0
105.07037	13.5
107.04971	2.6
107.08585	5.6
109.02856	10.0
109.06522	6.7
115.03945	1.8
117.06998	2.2
119.08591	11.0
121.06485	10.8
121.10144	6.1
123.08073	23.4
125.05997	2.6
127.03922	20.8
131.08556	4.9
133.06479	3.6
133.10143	8.9
135.08061	3.0
135.11745	3.0
137.05966	4.1
143.08559	2.4
145.04968	28.4
145.10123	7.3
147.08035	3.3
147.11633	7.6
151.07544	47.1
156.09302	2.7
159.08061	2.8
161.13235	3.6
163.05962	2.9
163.11194	41.5
163.14767	1.6
165.09149	2.7
171.11752	2.7
174.10416	4.0
181.12239	32.2
189.12755	100.0
191.14294	15.7
205.12212	2.4
207.13789	32.2
221.85208	1.6
223.13286	4.5
225.14885	5.2
229.10641	1.8
247.11731	2.0
290.70850	1.5
325.16281	3.1
338.19543	3.7
343.17685	2.4
369.19113	34.5
384.53470	1.5
516.38275	1.7
517.27197	3.4
537.89148	1.6
549.25568	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11328	2.6
55.01864	2.5
57.03428	9.1
61.02921	7.2
67.05494	3.4
69.03436	21.8
69.36997	14.5
69.37415	5.2
70.06594	13.4
71.04964	3.6
72.08141	4.0
74.06081	3.6
81.03397	6.5
81.07060	5.6
84.08141	7.2
85.02910	41.3
85.06543	3.4
86.09692	8.2
91.05463	5.9
93.07042	6.1
93.96767	3.5
95.08618	16.7
97.02907	14.1
99.04440	4.9
103.05418	2.9
104.72862	2.5
105.07022	10.5
106.44584	2.4
107.04950	7.7
107.08581	7.3
109.02854	3.2
109.06477	5.0
109.10125	3.5
110.07188	3.0
119.08562	13.5
121.06475	8.0
121.10152	5.8
123.08072	17.2
127.03915	11.1
129.10223	3.5
131.08545	9.4
133.10138	15.4
135.11711	21.4
137.09624	6.1
145.04961	10.4
145.10196	5.3
147.08054	3.6
147.11690	10.4
149.09616	11.2
151.07579	14.2
156.09386	2.9
159.73793	3.1
161.13284	22.5
163.11176	16.0
165.09135	28.6
171.11754	3.3
179.14259	4.7
181.12187	5.6
189.12744	40.3
191.14259	7.6
207.13815	100.0
225.14876	8.0
287.05322	4.2
325.16537	3.5
361.02353	4.1
369.19153	25.5
387.20175	2.9
549.24774	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
54.14824	1.1
55.01869	3.5
55.05499	5.8
57.03434	8.8
61.02923	8.4
64.77480	1.1
67.05492	4.9
69.03094	1.8
69.03436	24.5
69.07047	3.7
70.06573	5.4
70.07056	4.0
70.07475	2.2
71.04993	2.4
73.02898	1.6
79.05493	7.3
80.94746	1.1
81.03427	10.2
81.07063	9.1
85.02911	71.2
86.09702	2.4
87.04489	2.6
91.03960	2.9
91.05497	15.3
93.07049	10.4
95.04990	3.0
95.08599	6.0
97.02898	25.3
97.06517	1.6
97.57375	1.4
97.97626	1.3
99.04464	3.8
99.08040	1.3
103.05460	2.2
105.07040	54.3
107.04955	13.6
107.08595	10.2
108.05254	1.5
109.02882	8.1
109.06532	6.4
109.10159	4.3
111.08119	1.4
117.07014	4.7
117.53934	1.4
119.08588	46.9
121.06511	5.4
121.10142	8.1
123.08086	19.3
123.11722	1.8
125.05947	2.4
127.03918	17.4
131.08572	2.3
133.06445	1.7
133.10168	6.3
135.08070	11.7
135.11690	1.9
136.07631	1.5
137.05965	3.8
137.09619	2.2
141.26497	1.2
143.08600	1.3
145.04979	26.6
145.10112	4.8
147.04384	1.3
147.07945	1.3
147.11694	72.3
149.09628	7.1
151.07533	12.2
151.11192	9.4
161.13217	4.2
163.06023	3.3
163.11174	5.9
165.12764	65.1
167.06992	1.5
177.12715	7.8
179.10539	1.4
179.14369	1.4
181.12228	6.1
189.12772	10.1
191.14296	3.1
207.13811	100.0
209.15378	5.0
225.14853	23.9
287.05496	1.9
351.18002	1.7
369.19083	11.7
377.01855	2.1
387.20197	6.4
393.13516	1.3
437.48782	1.1
549.26282	7.7
578.26544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05125	0.6
50.57736	0.7
53.03942	1.1
55.05117	0.7
55.05506	0.9
56.45948	0.5
57.03435	1.4
61.02944	0.8
67.05505	2.2
69.03419	3.0
69.07068	1.8
69.13721	6.3
70.06588	2.5
72.08157	0.9
75.19234	0.6
77.03938	0.8
79.05489	2.3
79.44122	0.6
80.16276	0.6
81.03421	0.7
81.07056	1.9
84.08166	1.0
85.02907	6.4
86.03248	1.0
86.09704	1.5
91.05482	8.4
93.07054	1.7
95.04961	0.8
95.08611	1.5
97.02899	1.7
101.43140	0.6
103.05467	0.7
105.06383	1.1
105.07030	9.1
107.04951	2.1
107.08595	2.6
108.08134	5.7
115.05463	1.2
116.06228	1.8
117.07056	3.6
117.23791	0.6
117.61929	0.6
119.08598	11.8
120.08128	1.8
121.10120	1.7
123.08040	0.8
124.07593	0.8
127.03918	1.0
128.06241	2.1
129.07016	4.8
129.10222	0.7
130.07780	2.0
131.08572	23.1
132.08887	0.8
133.10138	6.6
134.06020	0.6
135.08037	0.7
135.11681	0.8
136.07544	1.4
137.09610	0.6
143.08572	15.0
144.09354	4.1
145.04968	1.7
145.10127	13.8
147.11714	2.0
149.13274	1.3
152.07021	3.6
156.09360	0.8
158.09700	1.2
158.10928	15.4
161.06003	0.8
163.11226	0.9
170.08138	0.8
171.11659	0.7
173.13272	100.0
174.13583	1.2
175.14832	13.1
189.08989	0.8
190.13000	0.7
191.14317	20.2
192.14618	1.1
207.13802	4.5
208.14192	4.1
209.15465	1.6
240.84097	0.7
281.51807	0.6
314.12256	1.9
332.13455	8.4
532.27307	0.8
550.28015	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.7
57.03424	9.3
57.07077	27.2
59.05009	3.4
61.02914	7.1
65.32063	4.8
67.05502	41.7
69.07069	53.7
70.08276	14.9
71.08624	13.4
79.05489	19.4
81.07058	51.7
83.08161	4.5
83.08619	48.0
85.10175	8.5
91.05490	5.9
93.07043	27.4
95.08614	50.6
97.06540	9.1
97.10180	23.6
104.10693	4.0
107.08584	15.1
109.10149	28.7
111.08090	4.8
111.11686	9.2
121.10158	41.7
123.11729	7.7
125.09629	4.3
135.11697	37.2
139.11197	5.9
149.13245	13.7
179.17909	4.4
184.07388	8.3
261.25742	29.4
273.97339	3.8
279.26822	99.2
297.27872	12.2
353.30499	100.0
371.31516	17.9
406.99463	4.3
532.39459	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	551.2127
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
52.91051	0.7
53.03950	1.7
53.79227	0.7
55.01872	6.4
55.05510	0.9
57.03439	2.1
61.02918	2.2
65.03944	1.3
67.05499	2.3
69.03436	7.1
69.70921	3.0
69.71333	2.8
70.06597	1.5
78.04725	1.0
79.05493	3.1
81.03418	2.0
81.07047	2.0
81.95686	0.8
84.08125	1.3
85.02910	8.8
86.09697	1.0
89.03880	1.1
91.05487	3.7
92.91978	1.0
93.07053	1.9
94.04216	1.0
95.04985	2.7
95.08591	0.9
97.02890	4.5
99.04472	1.3
103.05469	6.3
105.07054	1.7
107.04946	8.9
108.08127	1.0
109.02885	1.6
112.72678	0.8
115.05498	1.5
119.04927	1.1
121.06524	4.4
122.03660	2.7
122.06052	2.5
123.04430	3.0
124.05236	1.5
124.07593	5.7
125.06062	1.3
127.03908	1.9
128.06204	3.0
129.07021	14.2
131.04950	10.9
131.08578	2.2
133.06519	1.4
135.04413	1.5
136.07582	62.1
137.05988	30.3
141.21979	0.9
144.05713	1.1
145.06473	1.9
147.04347	1.6
149.05989	10.9
151.03888	1.7
151.07532	3.0
152.07085	17.9
153.05449	1.2
153.06853	0.8
157.06506	13.4
159.04419	2.8
159.08006	1.8
161.05969	5.7
163.03914	1.2
163.07539	6.6
164.07076	68.7
167.07040	49.2
173.05959	2.4
174.06734	4.6
175.07582	3.7
177.05478	22.8
181.04973	14.4
182.08182	2.7
183.06514	1.1
185.06010	3.9
187.07561	1.7
189.09125	14.5
191.10548	1.0
203.07028	1.1
205.08652	2.3
209.08109	4.4
209.80209	1.0
215.08607	1.0
217.08607	10.5
218.07317	1.4
219.08089	1.2
219.10045	1.9
231.08176	1.2
233.09615	1.8
236.12930	1.1
247.07423	1.3
248.12758	2.2
261.09204	4.4
263.07141	1.4
277.08807	1.5
278.09381	1.7
279.10172	1.4
287.13904	21.6
289.14487	1.3
293.11771	1.7
302.48581	1.0
305.14999	3.6
307.09647	2.0
308.85922	1.0
313.82071	1.0
321.11356	5.5
322.11746	1.3
339.12540	2.0
353.13925	2.2
355.15240	1.0
371.14948	100.0
371.19516	8.0
372.15115	1.9
551.20941	2.2
559.19153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01871	1.8
60.06176	1.2
61.02905	1.3
64.41687	1.0
65.03923	2.2
67.05500	2.0
69.03439	2.2
70.06564	1.7
70.33682	1.4
70.34016	3.3
74.93499	1.1
79.05491	2.3
81.03419	1.4
81.07064	1.8
85.02901	4.2
91.05473	4.4
93.07051	2.9
95.04949	2.7
97.02876	2.5
103.05457	2.4
107.04946	5.3
108.08111	2.0
121.06483	2.1
122.06031	3.9
124.07604	9.5
129.07030	3.5
131.04916	2.9
136.07584	95.4
137.05986	10.8
139.82051	1.1
148.05046	1.1
149.05978	4.2
151.07613	1.4
152.07056	26.5
157.06474	4.5
159.08138	1.2
161.06013	1.6
163.07495	1.4
164.07072	100.0
167.07047	16.7
170.08118	3.9
173.05968	2.6
174.06750	1.6
175.07481	2.3
177.05424	5.4
177.08961	1.2
181.04930	5.0
182.08127	15.2
185.06067	1.4
187.07594	1.7
189.09065	4.7
211.22701	1.1
217.08662	2.1
280.52127	1.1
287.10629	1.4
287.13879	27.9
305.14978	23.3
307.95560	1.2
321.10858	1.3
352.79373	1.2
371.14978	31.4
371.19568	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	551.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.3
69.03439	14.8
69.07076	9.9
70.06590	24.7
71.04976	9.7
72.08160	17.5
81.07043	21.6
83.04974	14.6
84.08145	8.5
85.02917	77.1
86.09708	32.2
91.05473	12.0
93.07039	15.7
95.04971	31.3
95.08625	10.7
97.02889	18.5
97.06529	33.6
98.06047	8.1
105.07029	21.5
107.04961	23.0
107.08596	28.1
109.02879	8.0
109.06540	41.6
109.10152	12.5
111.14002	8.2
119.08592	13.1
120.08126	15.3
121.10140	31.3
127.03945	14.0
129.10271	12.4
130.16150	7.6
131.08635	16.3
133.10136	63.6
136.07610	31.2
145.04939	24.9
147.11719	23.2
149.13237	9.8
151.11232	13.1
153.09105	19.0
163.06105	8.1
173.13301	31.2
177.75517	7.3
191.14337	48.8
206.65915	7.6
207.13869	11.8
209.15364	100.0
227.16486	89.6
349.15024	20.7
355.20929	9.6
496.57401	7.4
533.68176	7.3
551.20850	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	551.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
56.05025	9.5
69.03416	8.8
70.06595	15.2
71.48205	3.8
72.08145	4.4
74.06062	3.0
81.03448	3.2
81.07037	5.4
83.01351	5.6
83.04961	3.2
84.04497	3.5
84.08137	6.7
85.02900	18.6
85.06553	3.8
86.09728	14.7
91.05521	3.5
93.07038	7.3
95.08631	4.0
96.08134	6.5
97.02894	7.3
97.06539	3.6
98.06051	11.2
98.79591	2.7
99.04426	3.9
99.08058	13.0
107.04946	10.4
107.08571	5.5
109.10156	4.1
110.07193	4.5
119.08585	3.9
120.08091	12.8
121.10143	9.0
123.11729	3.3
125.34248	2.5
126.28616	2.6
127.03931	5.5
129.10245	4.9
132.10172	2.8
133.10130	12.4
134.06142	3.1
135.08067	4.3
135.70010	2.9
135.71005	2.9
139.11221	3.9
145.04965	3.5
147.04434	3.1
148.93700	2.6
149.09634	14.8
151.03867	3.4
151.11255	3.3
163.14806	4.3
173.13284	6.2
190.05295	7.5
191.14304	7.9
209.15381	100.0
227.16338	16.3
228.69394	2.8
389.13406	4.8
551.20935	17.6
551.28931	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	551.2832
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
50.13370	0.3
55.01864	0.4
55.05523	0.6
67.05499	0.6
68.98984	0.4
69.07069	0.6
70.06572	0.7
71.42590	0.5
75.20028	0.4
79.26488	0.4
81.07063	0.9
83.08648	0.4
91.05473	0.8
94.57275	0.3
95.04957	0.5
97.02885	0.4
105.07024	0.8
107.04951	1.6
107.08604	0.7
109.02859	0.5
119.08606	0.5
121.38921	0.4
127.03873	0.4
131.04910	0.6
174.55353	0.4
224.52962	0.4
389.22995	1.9
415.11447	0.5
509.34259	0.4
551.28296	100.0
552.28571	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	551.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93149	0.4
59.35457	0.4
67.05515	0.8
69.07062	0.6
69.31609	0.5
79.05483	0.8
81.07069	1.0
86.49178	0.4
90.26477	0.5
91.05452	0.4
93.07069	1.2
95.08599	0.9
97.06564	0.7
102.49137	0.4
105.07057	0.6
107.04969	1.7
109.10109	0.4
119.08559	0.5
121.10204	0.5
121.84333	0.4
123.04460	0.4
131.04955	1.1
131.08565	0.5
136.77382	0.4
147.11630	0.5
169.10225	0.5
203.05296	0.7
209.09683	0.4
248.25661	0.5
259.07852	1.2
353.88895	0.5
359.02362	0.4
376.53928	0.5
389.13937	0.5
389.23026	2.0
551.28284	100.0
552.28668	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	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56928	0.4
61.46589	0.4
69.20315	3.8
81.07030	0.9
93.07059	0.4
94.44650	0.5
98.58020	0.4
107.04964	0.8
126.93999	0.4
133.10136	0.4
147.04393	0.5
162.32242	0.5
203.05318	0.9
259.07977	0.8
315.19119	0.5
315.75732	0.4
320.34091	0.4
389.22946	2.2
551.28284	100.0
552.28845	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	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.01453	0.3
56.74843	0.3
67.53560	0.4
69.29266	2.6
70.12695	0.3
79.68758	0.3
81.07069	0.4
96.70959	0.4
107.04940	0.6
112.57298	0.3
119.08555	0.4
127.19904	0.4
181.36430	0.4
203.05333	1.1
259.08041	1.3
353.23022	0.3
389.22955	1.8
408.05005	0.4
551.28302	100.0
552.28680	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	551.3137
Annotation	Rescinnaminol
Peak:m/z	Relative Intensity
55.05487	1.1
55.78043	0.9
57.07074	2.1
67.05507	0.9
69.07097	1.2
71.08639	1.2
79.05486	0.9
81.03425	2.6
81.07076	2.1
83.08618	1.3
84.19948	0.8
85.10128	0.9
91.05516	1.3
93.07050	2.2
95.08614	3.0
100.74112	0.8
105.07022	0.9
107.08618	1.5
108.73948	0.8
109.10174	1.3
116.24014	0.8
119.08518	1.3
121.10139	1.0
131.08621	1.0
133.10161	1.2
169.10217	0.7
189.78734	0.8
264.11798	1.0
267.15976	1.0
333.09354	0.8
341.30603	1.4
490.18365	0.8
551.31384	100.0
552.31433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03941	7.1
55.05522	12.8
57.07080	12.2
65.03947	2.5
67.05508	30.7
69.03413	1.8
69.07068	19.8
71.08629	3.6
71.09384	2.2
71.09711	1.6
74.34699	1.5
77.14750	1.5
79.05066	2.8
79.05491	25.7
81.03426	3.4
81.07056	40.1
83.08620	8.6
85.06542	2.0
91.05482	39.4
93.07049	57.7
93.07637	2.9
95.04984	5.6
95.08614	46.8
97.06528	1.7
97.10176	3.8
103.05476	4.3
105.07036	69.7
107.08599	61.0
109.10164	38.0
111.08065	1.9
115.05466	3.2
116.06242	2.8
117.07027	15.9
119.08588	100.0
120.05757	1.6
121.10153	49.1
123.08112	1.8
123.11702	15.3
128.06239	7.6
129.07010	14.3
130.07809	9.7
131.08580	31.6
133.05440	1.6
133.10139	55.6
135.11696	35.8
137.09602	3.1
141.07002	5.8
142.06740	1.7
142.07755	10.3
143.08563	25.8
144.09283	5.2
145.10132	60.5
147.11687	25.9
149.09608	4.8
149.13257	5.6
153.06969	1.7
155.08562	10.3
156.09305	7.9
157.10136	31.6
158.10898	5.6
159.11708	39.7
159.13028	1.9
160.12415	2.7
161.09599	1.8
161.13229	10.9
162.76735	1.5
163.51160	1.6
165.07013	2.0
167.08563	3.8
168.09283	2.6
169.10168	17.9
170.10912	4.6
171.11690	23.1
172.12411	2.1
173.13274	20.8
175.14833	37.0
179.08585	5.4
180.09290	4.7
181.10141	11.2
182.10971	5.9
183.11697	17.4
185.13283	15.0
187.14836	11.4
189.16391	4.9
192.09366	2.5
193.10150	8.3
193.12280	2.4
194.10948	4.5
195.11696	10.2
196.12488	5.8
197.13266	22.5
199.14812	6.2
201.16403	15.1
205.16096	2.1
206.10997	2.2
207.11711	7.8
208.12395	3.6
209.13252	12.4
210.14088	2.7
211.14868	10.4
213.16422	6.8
219.11694	2.6
219.17497	3.5
220.12489	1.8
221.13260	8.6
222.13977	2.3
223.14787	11.0
225.16409	5.7
227.18091	2.1
233.13274	3.2
235.14862	4.5
237.16379	6.3
239.18011	5.5
241.19444	3.2
247.14851	4.4
249.16493	3.3
251.18074	3.0
253.19547	4.4
257.18893	2.2
259.20596	2.5
261.16251	2.8
263.17999	4.4
265.19617	3.5
267.21106	5.6
275.18091	2.0
279.21210	2.2
283.20667	2.1
285.22083	2.4
289.19568	2.8
309.22055	1.9
315.21118	1.8
321.25507	1.7
345.25778	2.7
347.23279	2.1
359.27219	1.7
411.30588	1.8
459.36249	2.5
495.36252	3.1
533.41461	6.3
551.42444	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.05503	15.2
56.89223	3.5
57.07086	29.0
65.03951	3.1
67.05506	33.8
69.05159	4.1
69.07072	25.2
71.08621	11.5
71.22554	8.3
71.22920	3.6
78.96421	3.6
79.05497	24.2
81.07056	44.4
82.72053	3.3
83.08598	11.2
85.06563	4.5
91.05484	31.7
93.07051	57.7
95.04967	3.4
95.08617	58.1
97.10186	3.8
105.07037	61.6
107.08604	61.2
109.10150	42.6
117.07016	15.0
119.08594	100.0
121.10161	45.6
123.11759	17.1
125.09568	4.1
128.06238	9.0
129.07018	8.1
130.07782	10.3
131.08612	26.0
133.10144	65.0
135.11707	42.7
141.07036	7.9
142.07759	10.8
143.08563	24.3
144.09343	6.0
145.10129	57.6
147.11728	26.4
149.13274	8.3
155.08549	6.9
156.09367	8.2
157.10168	39.4
159.11700	34.8
161.13260	10.6
167.08617	4.3
168.09351	4.2
169.10115	19.6
170.10947	5.1
171.11676	17.6
173.13283	21.3
175.14850	44.9
179.08565	5.9
181.10101	9.9
183.11685	16.4
185.13271	17.7
187.14796	15.8
193.10103	7.2
195.11693	11.5
197.13339	18.3
199.14842	8.5
201.16400	13.4
207.11766	9.7
209.13237	14.3
211.14832	18.3
213.16412	8.3
221.13229	5.8
223.14719	11.0
225.16467	4.9
235.14868	7.0
237.16380	6.5
239.17854	7.6
253.19662	5.5
277.19543	6.0
327.07898	9.8
345.98404	4.2
379.29935	3.8
403.00980	3.9
466.62692	3.6
495.26474	9.6
495.36328	4.7
551.42383	39.3
551.50195	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	551.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01022	1.4
50.93056	1.5
53.03938	3.1
54.51406	1.3
55.05510	16.5
57.03420	5.5
57.07078	36.3
59.04986	1.8
62.84458	1.3
65.03931	2.2
66.29694	1.1
67.05186	2.2
67.05505	28.2
69.03432	2.4
69.07069	13.0
70.54678	3.3
70.54999	1.3
71.04993	4.0
71.08630	27.8
74.00890	1.2
79.05489	14.8
81.03419	42.0
81.07056	35.3
83.04982	6.8
83.08623	22.9
85.02910	19.1
85.06574	2.3
85.10177	15.5
91.05483	20.5
93.07034	10.9
95.04957	14.8
95.08609	25.5
97.06576	1.6
97.10181	10.0
102.40615	1.4
105.04498	1.6
105.07021	12.7
107.08571	5.8
109.06532	2.6
109.10161	14.3
111.08085	7.5
111.11711	3.7
117.07073	1.5
119.08574	14.1
121.10132	6.1
123.11723	5.9
129.07005	6.9
131.08562	7.6
131.44844	1.5
133.10164	6.9
137.13263	3.1
142.07805	2.2
147.08162	1.4
147.11671	10.2
149.09618	4.3
151.11230	1.9
157.10129	9.1
165.12769	1.6
175.11157	11.1
193.12244	42.9
211.13281	43.8
267.15903	5.5
267.26904	4.3
341.30557	6.2
533.42126	2.6
551.43091	100.0
552.43195	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	552.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99411	0.5
54.80836	0.6
69.69173	3.5
74.54562	0.6
87.15546	0.5
91.05490	1.2
94.04173	1.3
103.05459	2.4
105.07079	0.8
107.04967	1.2
121.06519	0.7
122.03663	1.9
123.04430	1.8
131.04913	3.4
135.04475	0.7
137.05981	30.5
146.84810	0.6
147.04353	0.9
150.06795	1.0
151.03911	6.8
151.05017	0.9
161.06033	1.0
162.06639	0.7
163.07529	3.7
169.06502	1.1
181.06470	1.2
194.07294	0.7
197.06053	1.8
205.06482	1.4
207.08134	1.2
209.05963	0.8
210.06732	1.0
211.07558	1.8
219.08087	1.1
221.05969	1.7
222.06749	2.6
224.08363	1.5
225.05424	5.3
225.09041	0.6
226.06367	0.6
233.06111	1.4
234.06778	3.3
235.07445	2.8
236.08458	0.8
237.05443	0.9
237.09116	12.7
238.95326	0.7
239.07147	0.7
239.10753	1.3
240.07753	5.1
241.08580	1.0
242.09674	0.7
247.07550	1.7
248.08266	0.7
249.05527	1.7
250.06279	3.4
251.07074	0.7
253.08461	1.1
262.06470	0.6
263.07059	2.2
264.07809	1.2
265.08575	11.1
267.10199	3.6
271.11102	1.4
277.08566	1.2
278.09427	1.5
279.10132	1.4
281.09641	1.7
284.08392	0.7
285.09256	1.0
297.09140	0.9
298.09848	1.5
299.10492	3.3
300.11356	1.0
309.09235	1.0
310.09821	1.4
311.10745	2.2
312.07394	1.0
313.08606	1.2
315.10037	1.2
316.10693	0.8
323.10580	1.1
325.08624	1.0
326.09393	1.8
327.10150	4.6
328.10904	1.6
329.08005	0.8
329.11639	0.8
331.09589	0.6
337.08652	1.1
338.09467	1.4
339.10068	3.6
340.10931	1.6
341.11749	2.8
342.12607	1.1
343.09775	2.0
344.10260	1.3
353.11743	3.1
354.08786	2.1
354.12546	2.8
355.09598	3.1
356.10590	3.2
357.10989	0.8
358.12000	1.9
359.12912	3.9
361.14221	1.0
369.11127	5.8
370.11969	4.9
371.08887	0.6
371.12848	7.9
372.09805	1.7
373.10492	1.3
373.14606	0.9
382.81549	0.7
385.14487	4.4
386.11536	2.0
387.12341	11.7
389.13873	4.5
401.13901	9.1
402.14615	100.0
403.14902	2.1
552.14490	2.0
552.21753	13.5
571.93384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05505	9.6
61.02928	6.8
69.03426	5.0
69.07059	11.8
70.06597	42.0
70.96879	4.0
70.97202	5.1
71.04981	5.3
72.08154	7.9
73.02908	5.1
74.06085	5.8
79.05496	6.9
81.03406	3.5
81.07058	10.0
84.04515	7.3
84.08157	5.6
85.02901	12.0
85.14044	2.8
86.09709	71.7
90.87437	3.6
91.05471	15.2
93.07078	7.5
95.04952	3.4
95.08591	10.9
97.02908	5.3
100.63016	2.9
102.05534	4.8
105.07033	17.8
106.79553	2.6
107.04955	26.9
107.08595	15.0
108.08162	7.3
109.10158	4.8
110.07185	5.4
117.07014	5.6
119.08582	72.8
120.08114	29.2
121.08421	14.2
121.10189	4.4
128.10732	4.2
131.08566	9.9
133.06116	9.1
133.10146	31.2
136.07614	7.6
137.09668	4.8
143.08594	3.9
145.04976	5.8
145.10112	6.2
147.11700	7.3
158.10941	3.9
167.06606	2.8
173.13199	27.4
174.13664	14.9
175.14859	100.0
176.15181	3.7
191.14348	5.7
193.15913	6.7
201.12392	6.2
233.38120	3.5
238.18129	6.3
246.14439	16.2
254.17548	8.9
263.12103	4.2
265.11798	4.1
265.37360	3.0
296.19611	8.8
328.21075	20.7
330.22797	4.0
335.42569	3.5
351.72302	3.8
357.94019	3.0
358.93686	3.4
372.23837	18.6
409.15396	3.3
446.25821	7.1
490.26593	5.3
534.29016	54.7
552.29681	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.07068	0.7
59.21137	0.7
67.05498	1.7
69.07076	6.6
70.06601	4.6
70.44902	0.8
70.45263	3.1
79.05486	1.0
81.03423	1.0
81.07048	1.6
83.08636	1.3
84.08076	0.7
85.02890	2.9
86.09684	1.4
91.05480	2.0
93.07044	1.1
94.32098	0.8
95.08626	5.5
97.02876	1.7
105.07042	5.5
107.08577	3.4
109.10144	3.9
119.08585	28.4
120.08089	2.4
121.10142	2.1
131.08618	0.9
133.10135	26.0
135.11699	3.4
137.09590	1.5
145.10091	2.1
147.11674	3.4
151.14775	1.1
175.14827	100.0
193.15889	13.6
254.17439	1.6
328.21191	3.7
372.23730	3.2
490.26532	0.9
534.29053	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05515	5.9
57.07075	0.7
65.03941	0.6
67.05510	1.5
68.19168	0.5
69.03439	1.8
69.07076	9.2
69.73964	2.8
70.06604	3.5
71.05003	6.0
73.95401	0.5
79.05502	2.2
81.03413	0.9
81.07058	7.2
83.08629	3.8
85.02904	6.2
86.09712	1.0
91.05492	11.0
93.07043	4.5
95.08608	8.5
97.02907	1.1
103.05492	1.7
105.07041	20.0
107.04964	1.7
107.08605	16.0
108.37569	0.5
109.10161	1.7
115.05510	0.5
117.07022	4.4
119.08590	100.0
120.08937	0.7
121.10149	4.0
127.03947	1.1
131.08600	1.3
133.10141	21.0
135.11710	1.1
137.06024	0.7
145.04962	2.8
145.10161	1.8
147.11722	4.2
152.79353	0.5
159.11798	0.6
160.12508	0.9
161.13222	0.7
163.05988	1.7
173.13240	1.1
175.14836	84.0
176.15163	1.3
215.09180	2.4
228.10350	0.5
233.10181	3.0
240.18523	0.5
258.07956	0.5
386.76367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89986	3.7
50.93035	3.3
55.05510	6.1
57.03419	4.5
57.07077	4.8
59.05004	5.2
67.05509	18.8
69.03424	12.2
69.07076	23.1
70.06581	8.3
71.04996	13.3
71.44420	4.6
71.61998	3.1
79.05500	16.4
81.03387	3.5
81.07060	41.8
83.04967	7.0
84.04398	3.1
85.02905	11.5
85.06528	3.9
86.09737	4.0
91.05477	10.7
93.07048	54.3
94.08273	3.6
95.04951	10.0
95.08619	44.4
97.06538	11.1
105.07049	17.7
107.04968	14.2
107.08607	29.5
109.06500	11.2
109.10166	23.8
111.08086	5.1
117.07037	4.7
119.08590	31.7
121.06496	5.0
121.10153	100.0
123.08053	12.8
123.11687	15.9
125.09637	14.0
125.99035	3.2
128.07172	3.1
131.08568	8.0
133.10107	16.3
135.08083	5.9
135.11684	23.2
137.06032	4.1
137.09618	37.3
139.11186	17.8
145.10168	13.7
147.11736	4.7
148.03949	6.8
149.09622	5.8
151.11218	9.1
153.12747	9.6
157.10123	7.9
159.11650	5.8
161.09648	9.3
161.13222	5.0
163.11203	12.3
163.14786	3.6
167.10695	7.4
171.11729	3.6
172.57140	3.6
173.13312	5.6
175.14867	5.2
179.10634	5.7
181.12175	17.8
185.13287	3.6
187.14764	7.0
189.12683	4.1
195.11758	3.5
197.13336	3.5
199.13208	4.2
199.14862	7.0
203.14246	5.0
215.14389	4.7
217.15837	4.6
228.10213	4.0
231.33076	3.3
233.15216	3.3
273.22195	9.0
283.20529	8.1
289.21677	7.4
290.64087	3.8
301.21622	37.0
307.22604	14.3
319.22693	59.1
334.12869	3.5
337.23746	40.6
355.24796	9.4
372.14941	3.6
508.18863	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	552.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19287	4.3
53.03962	8.4
53.73171	4.0
55.05513	23.5
57.07071	29.7
65.03938	5.7
67.05505	92.6
69.07076	29.9
69.24606	41.5
78.93530	4.5
79.05500	57.2
81.07059	100.0
83.08615	16.6
85.06540	79.3
91.05489	47.1
92.20661	4.0
93.07044	82.1
95.05004	8.7
95.08601	83.3
97.06514	7.8
97.10165	9.6
104.10756	4.9
105.07035	57.0
107.08601	41.6
108.69167	4.0
109.10159	46.2
117.07008	8.6
117.46932	3.8
119.08600	43.9
121.10153	44.4
123.11720	18.5
127.07526	8.6
127.32575	4.1
131.08594	19.2
131.84200	4.0
133.10103	38.7
135.11673	33.4
137.09706	5.3
137.13309	7.5
145.08597	26.6
145.10135	20.3
147.11710	35.1
149.13251	20.1
157.10127	5.0
159.11710	14.8
161.13251	21.2
163.14812	5.7
173.13315	7.2
175.14876	9.1
184.07356	8.1
197.13205	4.8
237.18343	4.5
250.31430	4.5
257.13806	14.1
261.22128	16.2
275.20184	9.4
277.21719	12.2
297.86417	4.6
345.27863	17.7
392.98117	4.5
410.50305	4.8
534.41931	5.4
536.29059	4.8
550.54175	4.9
552.40405	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	552.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05029	2.7
57.07066	2.7
58.06600	1.8
60.08168	19.1
67.05505	2.3
69.07059	1.2
71.03752	0.8
71.04101	1.9
71.07378	9.3
71.08633	2.7
79.05439	1.0
81.07064	2.1
83.08633	1.7
86.09709	55.9
93.07056	0.8
95.08601	2.1
98.98460	5.1
104.10748	98.3
105.07072	1.0
105.11088	1.0
107.08588	0.9
109.10203	1.1
125.00011	32.8
174.41747	0.9
184.07352	100.0
265.05124	0.9
369.33667	1.0
534.39130	10.4
552.40295	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	553.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87516	2.1
62.38543	2.2
62.89940	1.9
64.82525	2.6
71.47288	3.1
90.73085	2.1
94.93050	2.1
152.10326	2.5
168.92123	14.7
186.93179	8.9
188.12318	2.1
210.94106	100.0
221.47385	2.2
228.94244	24.0
246.95250	11.4
256.28375	2.2
270.95221	22.4
282.95209	5.2
300.96347	5.3
309.08182	2.1
312.96719	2.5
330.97275	8.7
337.76660	2.3
351.22958	2.1
352.38596	2.4
372.98233	3.1
381.07913	13.0
381.46936	2.3
390.99411	2.8
423.13309	2.3
463.04156	3.1
552.96454	2.5
553.04956	7.4
553.15332	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	553.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46975	1.0
66.89036	1.0
69.03432	1.6
69.07054	0.9
70.06588	3.8
71.48802	0.9
72.08167	1.1
78.34504	0.9
81.06989	0.9
85.02902	2.5
86.09698	2.6
88.22066	0.9
91.05474	1.8
93.07035	1.8
95.08620	1.4
103.05473	2.2
105.06988	1.8
106.06541	3.0
107.04974	7.6
107.08604	0.9
119.08630	1.5
121.06501	1.1
122.06004	1.9
123.06835	1.1
124.07596	6.5
126.09164	3.2
131.04910	6.0
136.07581	43.1
137.05980	10.8
137.07980	1.0
138.09148	43.6
149.13153	0.9
151.07520	1.1
152.07066	19.7
155.76796	0.9
163.07558	1.9
164.07069	100.0
167.07127	1.2
170.08150	3.0
175.07628	1.2
182.08150	14.5
188.03288	1.0
229.10655	1.5
245.13847	0.9
275.07120	1.2
289.15469	27.0
299.55881	1.0
303.06812	5.4
306.26361	1.1
307.16531	25.9
357.13297	1.1
373.21121	4.0
558.07245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2777
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
69.99556	8.8
71.66326	2.0
72.53812	2.0
112.25513	2.1
160.38330	2.7
167.03363	1.9
212.50818	2.3
259.22452	2.3
327.64545	2.6
519.60089	2.4
553.27820	100.0
554.28241	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	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.6
69.17274	0.6
70.06584	0.5
71.48736	0.6
78.82457	0.5
79.05495	0.7
79.06009	0.4
80.73329	0.5
81.07053	0.8
91.05477	0.7
93.07063	0.7
95.08634	0.9
102.79379	0.5
103.05454	0.7
105.07034	0.6
107.04982	2.4
107.08616	0.6
109.10178	0.9
119.28172	0.5
131.04910	0.9
133.10132	0.6
185.04190	0.5
186.32510	0.5
201.03729	0.6
203.05238	1.0
212.04613	0.6
241.08734	0.7
259.08002	0.7
269.08197	0.7
317.19409	0.5
331.09943	1.0
391.24664	0.6
469.19736	0.5
483.21948	0.8
512.17792	0.5
535.28711	0.6
553.29791	100.0
554.30157	2.2
559.64838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
67.88187	0.3
68.98634	0.3
69.39541	2.7
72.66951	0.3
83.01110	1.1
91.05479	0.3
95.01092	1.0
96.01871	0.5
98.20776	0.7
100.87762	0.3
107.04937	0.6
125.91817	0.3
139.03603	0.4
141.28242	0.3
156.03979	0.5
157.04778	0.7
172.71402	0.3
184.03380	0.6
185.04256	1.5
201.03702	1.6
203.05278	1.9
259.07965	2.3
331.10056	2.1
345.11618	0.5
359.13184	0.6
372.64609	0.4
373.14688	0.6
391.24658	0.9
401.17606	0.5
415.19455	1.2
455.22406	0.4
483.22220	1.7
518.60120	0.4
535.28583	0.5
553.29852	100.0
554.30408	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	554.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
56.05844	0.8
58.99584	0.5
68.68818	0.5
69.07059	0.6
70.06588	1.0
70.77579	1.1
79.05476	0.4
81.03408	0.5
81.07043	1.0
82.06528	0.5
83.08604	1.9
85.02885	1.2
86.09718	0.6
93.07020	0.8
95.08566	0.9
100.07615	0.8
100.11253	9.6
101.11582	2.8
107.04952	3.4
107.08574	1.0
109.10164	0.7
110.06019	0.4
111.04449	0.9
121.10149	1.3
128.07120	0.8
135.11708	0.5
142.08618	1.1
146.42712	0.4
152.06183	0.4
167.93686	0.4
177.16376	1.9
181.06543	0.5
182.15381	3.0
183.15671	1.8
195.07976	0.5
198.06737	0.8
199.07474	1.0
209.16437	0.9
210.14865	2.2
210.16669	0.7
211.07591	1.5
211.15225	1.8
213.09138	1.3
214.09869	0.5
221.05856	0.5
223.07494	2.7
224.08316	8.4
225.09109	0.8
227.06990	4.0
232.05609	0.5
235.07524	2.3
237.05528	1.0
240.07764	0.5
241.08606	2.2
242.09367	7.3
243.04805	0.8
247.07727	0.5
251.07063	7.0
252.07811	10.7
253.08537	0.5
255.06506	1.5
257.02344	0.7
257.06314	11.1
260.04977	1.8
267.04712	0.6
269.08044	6.4
270.08868	8.3
270.11688	0.5
271.04160	0.5
271.09653	0.8
272.04974	4.1
273.05637	0.5
275.07349	4.3
285.05826	18.6
286.06558	3.6
288.04419	0.5
303.06848	100.0
304.07147	1.4
329.07983	0.5
392.11633	16.2
435.33801	0.6
470.13007	1.2
481.19943	0.4
487.99866	0.5
500.13266	0.6
553.45142	13.4
554.45251	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	554.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47027	0.6
51.11530	0.6
53.03935	2.8
55.01857	0.7
58.87954	0.6
65.03935	2.2
67.05497	0.7
69.07053	0.7
69.47241	0.7
69.67751	4.1
70.64678	0.6
79.05495	1.5
91.05489	44.2
92.74712	0.6
93.07055	11.3
94.04151	0.8
95.04980	8.8
103.05470	11.2
105.04499	1.3
107.04969	9.8
109.02916	0.9
117.79589	0.7
119.04953	27.3
119.08621	0.8
121.06512	96.8
122.03638	2.5
122.06828	0.7
122.75415	0.7
123.04436	1.2
123.08071	0.8
130.74797	0.6
131.04922	2.6
135.04408	2.1
136.05188	3.9
137.05981	31.0
138.09137	10.9
146.06023	3.6
147.04408	1.1
149.06001	0.9
151.03954	13.5
151.07552	100.0
152.07089	1.0
153.06969	0.9
157.06470	0.8
163.07523	1.2
164.07085	33.1
165.07077	2.1
166.07742	0.7
167.08627	0.8
169.06561	1.0
170.07251	2.3
171.08028	0.8
179.08595	1.6
180.05656	0.7
181.06483	13.6
182.07285	4.3
183.08037	3.4
185.09651	1.4
185.63098	0.7
189.06871	0.6
191.08566	1.0
193.06328	0.9
194.07329	1.5
195.08095	3.1
196.05223	2.8
196.08725	1.2
197.06027	2.0
198.06801	9.7
205.06432	4.5
206.07286	1.4
207.06392	1.0
207.08083	6.2
208.08839	3.0
209.05975	2.0
209.09641	2.0
210.06813	4.3
211.07504	3.4
213.09119	8.6
218.07312	1.0
219.08080	1.2
221.06052	1.8
222.06725	4.5
223.07535	2.8
224.08276	4.1
225.05556	1.0
225.09088	9.9
226.06233	2.1
233.05994	6.3
234.06744	7.0
235.07535	10.3
236.08371	8.4
237.05492	1.2
237.09109	21.4
238.09546	0.9
238.64598	0.8
239.06978	1.2
239.10648	8.3
240.07867	1.1
241.08604	63.9
242.09267	1.7
245.15240	0.7
249.09132	1.2
250.06253	9.7
251.07072	3.0
252.07608	3.4
253.08580	13.4
254.09062	1.3
265.08612	34.9
266.09167	1.8
267.10175	49.1
269.09625	1.3
270.10504	1.1
272.12851	2.5
281.09592	2.3
285.09189	1.4
287.10641	0.9
293.08044	2.6
297.09122	2.8
298.09790	1.6
299.10638	3.1
311.10730	0.9
313.12332	1.1
314.09241	1.2
315.10220	4.0
325.08511	1.3
327.10034	1.1
329.11786	1.6
331.09787	1.3
331.13278	1.9
342.08871	0.9
342.12573	1.9
343.09613	3.0
345.11002	1.0
346.11655	0.9
357.11282	4.7
358.11920	5.8
359.12714	2.0
360.13489	2.6
361.10623	1.1
361.14365	5.3
362.14359	0.7
371.12924	2.0
373.14615	1.1
374.11462	3.8
376.13040	9.7
385.10727	4.1
386.11514	4.7
389.13882	12.5
390.13995	1.5
391.15396	38.1
392.15686	0.9
402.10818	4.1
416.12662	1.2
417.13351	90.2
418.13535	1.4
554.22430	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	554.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33757	0.9
53.03944	3.4
55.01858	2.6
56.50152	1.0
62.39859	1.0
65.03938	1.2
70.22359	3.8
77.03901	1.0
79.05486	2.1
81.07051	1.1
91.05487	16.6
93.07032	8.2
95.04982	4.1
98.00994	1.1
103.05467	7.9
104.80207	1.0
105.04523	1.3
107.04950	10.1
119.04951	9.1
119.08563	1.2
121.06511	73.9
123.04506	1.3
135.04414	1.0
136.05197	1.6
137.06000	19.8
138.09148	1.3
146.06026	3.6
147.04414	1.6
149.05969	8.6
151.07549	33.2
153.07047	1.5
163.07613	1.2
164.07077	40.8
165.06917	1.1
167.07132	1.5
175.07655	1.2
179.08611	3.3
181.06483	5.0
182.07378	1.2
183.08069	1.2
187.07579	3.0
195.08116	1.4
195.65073	1.0
197.06094	1.2
198.06790	6.6
205.06548	1.6
206.07265	1.6
207.08063	9.9
211.07620	2.2
212.08318	2.1
213.09082	3.6
219.08101	3.0
221.09578	1.2
223.07564	3.7
224.08340	2.9
225.05444	5.2
225.09119	1.6
226.06052	1.2
234.06885	1.3
235.07561	20.2
236.08353	20.2
237.05466	1.6
237.09140	6.3
238.09846	1.4
239.06923	4.8
239.10660	7.1
241.08597	51.0
242.09386	2.2
243.10144	2.4
249.09142	1.7
251.07124	1.7
252.07774	5.9
253.08485	9.4
255.10098	6.7
266.09393	1.2
267.10172	54.8
268.10809	1.1
269.09534	1.5
270.10458	1.5
271.11203	2.3
272.12845	1.6
281.09689	2.5
285.09229	1.3
287.10645	1.7
297.09055	2.3
298.09970	1.9
299.10696	4.3
301.08325	1.2
303.10403	1.4
309.09140	3.1
311.10690	3.7
313.08780	1.5
313.12265	2.6
315.10059	3.4
316.10965	1.0
326.09372	1.4
327.10153	4.9
329.11768	3.3
331.09735	2.1
331.13257	6.1
333.11099	1.7
341.11639	1.8
342.12363	1.8
343.09601	1.7
343.13373	3.0
344.10361	1.5
345.11075	2.4
346.11841	1.5
357.11221	1.4
358.11963	2.9
359.12814	11.0
360.13577	85.1
361.14438	12.2
373.14496	1.2
375.12103	1.1
376.13135	20.5
386.71664	1.0
389.13895	5.3
390.14679	2.9
391.15378	100.0
392.15631	1.6
402.10736	1.1
416.12613	1.8
417.13208	21.8
554.21289	3.7
554.29163	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03936	1.1
54.14947	0.3
69.03434	0.6
69.24438	1.6
69.24866	1.1
70.06577	0.6
77.03957	0.5
78.84895	0.3
79.05495	1.4
81.03419	0.5
81.07051	0.4
85.02934	0.6
86.09696	0.4
89.72891	0.3
91.05492	0.6
95.04968	1.1
97.02897	0.3
101.01347	0.3
102.09462	0.3
105.04529	0.5
106.06561	16.2
107.04960	100.0
108.05293	0.6
118.06570	2.1
120.08147	0.4
126.40893	0.3
144.08054	0.3
178.16660	0.3
212.10735	5.7
265.12207	0.5
266.10751	0.4
268.11865	0.8
283.13345	1.1
286.12900	0.9
308.13010	0.5
309.11292	0.7
341.18973	0.3
374.16183	1.1
407.23276	2.1
425.24429	1.2
455.27112	0.3
473.28204	1.0
491.29089	5.5
554.28650	9.0
554.37134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
51.04329	0.2
53.03946	0.7
58.40146	0.2
63.05955	0.2
69.03430	0.6
69.07088	0.2
69.47518	0.4
69.47936	1.0
72.46734	0.2
77.03945	0.4
79.05515	1.1
80.80278	0.2
81.03434	0.4
85.02930	1.0
86.16550	0.2
87.37489	0.2
91.05549	0.2
95.04963	0.9
96.11558	0.2
97.02892	0.8
98.21523	0.3
100.92780	0.2
105.04522	0.6
107.04964	100.0
108.05267	1.0
109.02885	0.2
121.02872	1.0
121.52263	0.2
127.03902	0.2
137.05983	0.3
140.65179	0.2
145.04918	0.3
154.08670	0.4
165.01831	0.3
172.09749	0.3
173.06000	0.4
197.05988	0.2
213.09117	1.5
229.04944	0.6
299.05515	8.9
315.32544	0.2
393.09705	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
54.66127	0.2
55.05502	0.3
61.27356	0.2
67.05504	0.5
69.03425	0.8
69.07053	0.4
69.36662	1.7
70.06596	0.5
71.05000	0.6
77.03931	0.4
79.05489	2.2
81.03417	0.7
81.07047	1.0
83.04971	0.9
85.02905	0.5
86.09708	0.7
88.45671	0.2
91.05482	1.2
93.07051	2.0
95.04967	1.7
95.08604	0.7
97.02938	0.3
97.06519	0.4
99.04462	0.8
105.04521	0.5
105.07021	1.8
107.04960	100.0
107.08580	1.1
108.05303	0.8
109.02831	0.4
109.06512	1.9
109.10163	0.3
111.04450	0.8
117.07039	0.6
119.04988	0.3
119.08566	0.7
121.06509	0.5
121.10123	0.4
123.04443	0.2
125.05953	0.6
127.03906	0.3
129.07037	0.3
129.10284	0.2
131.04907	0.2
131.08557	1.0
133.06500	0.5
133.10135	0.3
135.08054	1.4
135.11743	0.4
137.05984	2.7
143.07114	0.3
143.08580	0.6
145.06496	0.7
145.10123	3.0
147.08075	0.4
147.11774	0.3
149.09644	0.4
151.03909	0.3
151.07550	0.6
153.05418	0.2
153.09142	0.7
155.08563	0.3
159.08084	0.2
159.11711	0.8
161.09668	0.5
163.11200	0.9
167.10684	0.4
173.09633	2.1
187.11169	1.5
191.10690	2.9
197.09567	0.2
205.12279	1.4
207.04407	0.8
209.06009	0.9
209.11794	0.6
215.10704	0.9
223.13277	0.2
225.05510	0.9
233.11745	2.6
239.07069	1.9
251.12805	11.0
269.13843	10.3
299.05536	0.3
339.15845	0.4
580.79211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.76492	1.0
55.05510	1.8
67.05495	3.8
69.07066	3.7
70.06602	7.7
71.04999	3.0
71.48037	1.7
76.53890	1.1
79.05485	4.2
81.07056	9.2
83.08627	1.8
84.08134	1.6
85.02902	1.6
86.09679	2.5
89.21445	1.1
91.05482	2.6
93.07024	6.8
95.04951	3.0
95.08608	8.7
105.04513	1.7
105.07021	3.7
107.04961	100.0
107.08590	4.5
109.06514	1.8
109.10153	4.9
119.08596	3.5
120.08109	2.2
121.06499	2.5
121.10138	8.0
123.11707	8.2
127.11224	1.1
131.08553	2.0
133.10130	1.6
135.11717	3.6
137.09636	4.8
137.13242	1.8
139.11176	2.0
142.08636	11.8
143.08623	1.8
145.10138	2.4
147.11711	2.5
151.11189	2.2
153.12735	1.4
163.11192	1.7
173.13335	2.1
177.16418	3.1
187.14677	1.3
199.14693	1.6
213.09204	1.6
235.13208	2.5
253.14366	1.9
290.54858	1.3
299.05243	5.4
303.23181	3.5
321.24304	10.4
339.25339	6.5
364.15799	1.9
376.75415	1.2
393.09695	3.5
554.29382	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	554.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
57.07076	32.4
61.22396	1.4
67.05489	1.7
69.07053	4.5
69.15787	3.4
69.16197	11.9
71.08634	27.0
73.06553	7.2
77.69138	1.5
81.07041	3.2
83.08615	5.5
85.10182	14.0
87.04459	3.8
89.06028	100.0
89.55350	1.6
90.20452	1.4
91.05470	2.0
95.08553	1.8
97.10152	7.1
99.11715	3.5
107.07024	2.4
107.08553	1.9
111.11758	2.5
113.13284	1.9
117.09120	4.8
133.08597	55.3
177.11214	18.3
221.13861	4.9
225.91829	1.4
239.14819	2.0
283.17603	1.9
299.29340	5.8
327.20078	10.8
343.32410	3.0
370.02951	1.4
480.47855	1.4
537.43738	8.5
553.64575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01879	0.7
55.05505	0.3
57.03441	0.8
61.02922	1.1
65.03941	0.5
69.03439	3.4
70.10711	1.3
71.04982	0.3
72.08167	1.9
73.02926	0.7
78.64547	0.3
79.05483	0.5
81.03450	1.5
81.07063	0.7
85.02911	7.9
90.95496	0.3
91.03960	0.5
95.04978	0.5
95.08584	0.4
97.02895	3.1
99.04456	0.6
105.03371	0.5
105.07018	0.3
107.04957	5.2
108.05258	0.5
109.02888	1.3
114.09170	1.8
120.08112	0.5
121.02864	6.1
123.00802	1.2
127.03931	1.8
130.06532	1.4
132.04420	0.4
136.07559	0.4
137.02434	0.3
141.01820	2.2
142.08620	1.2
145.04973	1.2
147.04405	1.9
149.02310	0.3
151.03871	0.5
151.51286	0.3
157.07619	2.7
158.06017	1.2
158.71542	0.3
159.09204	0.9
165.01865	2.9
169.06512	0.5
173.05959	0.5
175.08743	1.8
183.02899	1.1
185.07111	1.1
195.16325	0.3
197.05986	0.9
201.05473	0.7
201.09196	0.3
212.10727	1.0
215.07018	0.4
225.05531	0.7
226.12239	1.0
243.06561	1.5
271.06046	0.7
271.12079	2.6
272.10297	0.4
272.12714	0.8
281.12970	1.5
290.11417	3.5
299.05515	100.0
300.05859	1.0
329.06570	1.0
393.05743	3.0
393.09711	14.9
393.17300	1.7
423.11011	0.9
555.23907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01882	1.0
57.03415	0.8
61.02936	1.3
65.03930	0.2
66.18812	0.2
68.99768	0.3
69.03435	3.2
71.04964	0.4
71.47941	0.4
72.55869	0.2
73.02898	0.5
73.46974	0.2
79.05471	0.4
81.03419	1.7
85.02909	9.6
87.04453	0.2
91.03932	0.4
91.05434	0.2
95.04987	0.2
97.02316	0.3
97.02895	3.6
99.04425	0.7
99.24733	0.2
105.03367	0.2
106.96444	0.2
107.01343	1.2
107.04958	23.7
108.04577	0.4
108.05293	8.4
109.02848	1.0
121.02870	9.1
121.06557	0.2
127.03931	1.6
133.06496	0.5
137.05956	0.4
141.06952	0.4
145.04973	1.3
145.06480	0.7
147.04402	0.8
149.02286	0.4
157.06473	0.5
157.52931	0.2
165.01857	2.0
169.06479	0.4
171.04413	0.4
173.05984	4.8
177.01805	0.3
179.03360	0.2
183.02895	0.6
183.04333	0.3
195.08119	0.2
197.05930	0.9
199.03893	0.3
201.05458	1.4
213.09061	0.3
215.06918	0.3
225.05507	0.7
229.04971	7.3
243.06567	1.2
253.05008	0.5
271.05972	0.9
274.45996	0.2
287.05530	0.3
299.05508	75.2
300.05807	1.3
393.09683	100.0
394.10056	2.1
438.18170	0.2
537.20587	0.2
555.21704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.15
Annotation	cudranian 1
Peak:m/z	Relative Intensity
51.49540	0.8
55.01869	1.3
57.03428	0.9
61.02917	1.2
63.79775	0.7
69.03442	5.0
70.99408	1.0
70.99720	1.1
78.90267	0.8
81.03420	2.0
83.08615	1.0
85.02909	9.4
91.03918	0.8
91.27674	0.7
97.02877	3.6
99.04478	1.3
107.01306	1.5
107.04959	5.4
108.05300	0.9
109.02909	1.1
114.68378	0.8
121.02859	10.3
127.03962	1.8
145.04970	1.4
165.01834	1.1
173.06007	6.0
197.06148	0.8
201.05568	1.4
229.04968	6.7
243.06535	0.8
244.35471	1.0
287.05527	0.9
299.05505	75.9
300.05786	1.3
375.12347	0.9
393.09674	100.0
394.09836	2.1
405.53873	0.8
405.59848	0.7
463.29654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.45524	0.1
55.01869	0.3
57.03440	0.8
61.02927	0.8
61.41945	0.1
68.99791	0.6
69.03432	2.4
71.01289	0.2
71.04975	0.2
73.02896	0.2
79.05474	0.3
81.03426	1.3
81.07041	0.3
85.02907	5.2
87.04475	0.2
91.03957	0.2
91.05457	0.2
95.04960	0.3
95.08607	0.2
97.02894	1.9
99.04450	0.4
105.03386	0.4
105.07003	0.2
107.04961	9.2
108.05285	0.5
108.66352	0.1
109.02889	1.0
111.00822	0.8
111.04485	0.2
111.67667	0.1
121.02878	3.2
127.03931	0.9
131.04918	0.2
133.02847	0.6
135.04388	0.2
137.02322	1.0
145.04962	0.8
147.04407	0.4
153.01833	3.8
153.05417	0.2
157.06503	0.5
165.01830	2.3
171.04451	0.3
183.02861	1.0
185.05994	0.6
189.05429	0.2
203.07047	0.3
213.05492	1.5
213.09004	0.2
229.59872	0.2
231.06575	0.7
241.04918	0.9
243.06473	0.2
256.07382	0.3
258.05289	1.3
259.05988	0.5
287.05502	100.0
288.05801	1.1
299.05511	0.4
301.19901	0.2
303.15012	0.2
329.10272	0.3
393.09644	11.5
394.09872	0.2
555.30670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01873	0.5
57.03437	0.7
57.21292	0.4
61.02923	0.9
61.49900	0.4
66.33699	0.4
67.29304	0.4
68.99792	0.7
69.03427	2.9
70.06554	0.4
71.48269	0.7
73.02930	0.4
79.05486	1.0
81.03403	1.2
81.07045	0.6
83.04963	0.4
84.08117	0.4
85.02911	5.4
86.06077	0.8
86.09682	0.5
93.07022	0.5
97.02896	2.2
99.04466	0.5
105.03396	0.6
105.07040	0.7
107.04224	0.8
107.04957	14.5
108.05247	0.5
109.00414	0.4
109.02860	0.6
109.10159	0.5
111.00789	0.8
121.02869	4.0
127.03896	1.3
133.02881	0.5
133.10133	0.4
137.02309	1.2
145.05011	0.8
145.06375	0.4
147.04332	0.5
153.01826	4.3
159.07986	0.4
161.05975	0.4
165.01872	2.4
177.61382	0.4
183.02895	1.2
190.75449	0.4
213.05489	1.7
231.06564	0.7
241.05054	1.2
243.08833	0.8
244.09618	0.7
258.05258	1.2
259.05988	0.5
274.23990	0.4
287.05508	100.0
288.05820	1.4
299.05533	1.1
315.85010	0.4
379.16525	0.4
393.09692	29.7
394.09851	0.5
400.36777	0.4
555.20978	0.4
555.27722	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	555.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50916	0.8
55.05499	1.2
67.05504	1.1
69.07079	1.0
71.49082	0.9
73.58317	0.7
74.77107	0.7
79.05486	0.8
81.07037	2.1
83.08603	1.2
88.62597	0.6
91.05477	1.0
93.07056	1.1
95.04952	0.9
95.08624	1.7
105.07040	1.5
107.08583	0.7
107.22392	0.7
109.10201	0.9
110.57880	0.7
119.08589	1.2
131.08485	0.8
133.10167	0.8
135.11650	0.9
156.74063	0.6
157.10133	0.7
168.38852	0.7
175.14848	0.7
203.05214	0.9
339.68213	0.6
340.78839	0.7
555.35010	100.0
556.35406	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	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
66.37181	2.0
69.03412	2.3
69.30025	3.5
69.30424	16.0
70.06594	15.6
72.08155	5.5
79.05500	2.8
81.03419	3.1
84.04519	3.5
84.08137	5.9
85.02894	8.9
86.09690	6.9
91.05489	39.5
95.04954	4.6
97.02921	3.9
103.05473	43.1
105.03390	6.8
105.07035	21.5
107.04947	18.5
109.02881	2.5
109.06507	9.8
110.07146	6.3
115.05451	4.6
118.04181	2.7
119.04950	47.6
120.08130	3.9
122.03611	3.7
123.08002	2.4
127.03931	3.5
131.04938	100.0
133.02829	9.5
133.06506	19.2
136.07590	6.2
137.05988	81.8
145.04996	3.0
145.06467	2.6
147.04378	17.1
147.08080	2.8
149.05984	9.2
151.07545	22.2
159.07935	3.3
161.05992	77.4
162.06808	7.1
163.07556	51.0
165.05469	3.1
167.06909	2.9
175.07533	19.0
179.07007	22.3
187.07515	14.9
191.08589	2.7
193.08629	4.9
205.08621	9.7
219.08144	2.4
226.01208	2.2
251.10603	4.5
279.09915	4.2
291.10168	4.8
309.11179	8.3
311.12817	15.6
323.12723	7.3
329.13824	4.1
341.13803	5.6
394.10083	3.4
450.17798	4.1
452.55676	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85598	0.8
55.05514	4.3
57.03441	1.8
57.07079	19.0
58.06597	1.1
67.05513	4.4
69.07081	4.6
70.06593	13.5
70.88550	1.1
70.88876	1.3
71.08640	10.9
72.08154	2.3
73.02939	1.5
75.98809	0.8
79.05491	2.6
81.07053	8.6
83.08633	4.2
84.08148	1.2
85.10195	5.4
86.09696	1.5
88.07645	6.9
89.06033	9.6
91.05521	1.4
93.07048	6.2
95.08614	12.5
97.10178	2.2
102.09190	3.6
104.10761	3.0
105.07042	2.2
107.08591	4.9
109.10192	3.5
117.07034	1.9
119.08543	2.1
121.10148	2.1
123.11691	1.0
132.10220	5.2
133.08594	4.8
133.10164	1.9
135.11716	4.9
145.10106	4.3
146.11777	6.2
159.11720	1.1
163.11221	7.1
177.11266	1.3
178.43147	0.8
181.12228	1.1
212.23756	1.0
226.02127	0.8
227.12799	13.1
228.23225	1.0
235.82166	0.9
238.25317	1.2
256.26422	10.6
272.25839	1.8
283.15399	11.3
283.26343	41.1
300.28964	23.4
311.29510	5.4
313.27408	19.7
318.30075	1.2
371.22650	2.1
494.49298	1.3
521.38275	11.2
551.89630	1.9
556.53040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.6
71.47553	0.8
71.58395	0.8
71.95255	2.5
85.02891	0.9
85.65839	0.9
97.02892	2.3
98.97587	89.7
99.97887	1.0
110.97538	1.8
116.98626	41.9
119.01926	1.1
121.70196	0.7
128.98650	1.0
134.99669	12.0
140.00192	1.2
147.03236	0.8
155.01921	0.9
157.01607	1.0
160.36189	0.7
172.94350	3.6
175.02870	0.9
177.00941	3.2
179.00644	1.2
190.95360	2.4
192.98743	0.8
208.96336	0.8
214.95369	2.4
219.01994	4.2
232.96442	6.4
243.02017	2.0
250.97299	1.7
256.93713	1.1
256.96417	18.7
258.99756	6.8
261.03024	9.8
262.03165	3.6
263.02798	4.0
267.32449	0.8
272.94388	1.0
274.97513	100.0
275.97943	1.3
277.00833	6.0
278.00836	1.4
282.99915	1.1
292.98557	39.7
293.01920	1.9
297.99268	1.2
320.07843	0.9
381.07266	1.2
386.97858	1.0
398.97559	2.8
414.95383	36.7
416.98679	6.6
423.08289	1.2
432.96448	32.9
441.09006	1.4
450.97220	3.8
455.98016	1.6
472.94476	1.6
492.93594	1.1
497.07739	1.2
517.89752	0.9
521.89514	1.0
524.40302	1.2
535.91193	1.0
542.89655	1.0
543.39227	1.1
556.96423	9.2
575.11658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2572
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.05516	1.1
63.64010	0.6
69.07061	2.0
70.06602	5.7
71.48127	0.7
72.08157	4.0
84.04521	1.1
84.08156	3.2
85.02901	1.5
86.09711	7.0
87.54582	0.6
91.05523	1.2
93.07014	0.8
95.08604	0.9
103.29318	0.6
105.07026	2.1
107.04936	2.7
107.08604	1.1
110.07195	0.7
112.08717	0.6
118.45177	0.6
119.08590	5.8
121.10172	0.7
129.10255	2.0
131.72096	0.6
133.10135	2.9
162.94313	0.8
175.14874	2.7
185.16510	1.0
203.05289	18.8
291.64191	0.6
377.19366	21.4
427.16364	0.9
557.25739	100.0
558.26031	2.6
559.78851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.3
55.01868	5.1
55.05515	41.8
57.03429	5.4
57.07073	9.6
57.27148	3.0
64.94114	2.6
67.05511	16.7
68.99786	3.1
69.03436	22.7
69.07071	44.2
70.06587	4.5
71.04990	5.3
71.48629	5.4
72.08154	5.1
79.05497	12.9
80.48741	2.7
81.03409	13.0
81.07059	54.6
83.04992	47.0
83.08626	24.9
85.02904	38.2
85.06548	5.6
86.09723	4.2
87.00822	10.8
91.05485	11.5
93.07027	17.6
95.04980	7.2
95.08614	51.0
97.02911	14.6
97.06554	6.7
97.10167	9.4
99.04453	7.3
105.01871	9.6
105.07026	13.5
107.04965	37.6
107.08590	25.3
108.05285	4.2
109.02876	17.1
109.06514	8.8
109.10168	30.1
111.08097	18.8
119.04951	4.1
119.08598	11.2
120.08106	9.3
121.06473	4.4
121.10153	15.3
123.11711	15.6
125.09653	4.8
127.03934	23.2
131.04929	6.2
131.08565	4.8
133.10135	9.9
135.08043	3.9
135.11696	8.3
137.05984	9.9
137.13257	13.4
140.91263	3.5
145.04962	9.2
145.06516	3.5
145.10107	8.3
146.06023	3.0
147.04356	3.0
147.11655	6.7
149.13235	5.8
153.12758	7.6
159.02954	4.7
161.13249	4.7
163.11234	3.2
165.12720	5.3
167.75464	2.9
187.11095	3.6
188.07141	3.8
193.19595	5.7
205.86606	2.9
213.09062	3.7
217.19678	3.7
219.15143	2.7
223.20612	3.7
231.05013	3.2
269.08191	3.3
273.25845	7.3
280.69208	3.1
291.23642	5.7
291.26825	100.0
309.28085	15.3
322.45648	3.2
340.88165	3.1
352.76218	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	557.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
56.26133	2.4
57.07074	3.6
67.05492	11.0
68.72559	2.2
69.03432	5.0
69.07063	17.1
70.06587	27.1
71.05000	14.8
71.48243	4.5
72.08141	10.2
76.72464	2.2
79.05492	8.8
81.03390	2.6
81.07060	33.3
83.05005	4.1
83.08636	2.4
84.04536	3.0
84.08149	11.2
85.02905	8.7
85.06548	98.5
86.02279	2.8
86.09708	13.0
87.92780	2.5
91.05483	8.6
93.07046	22.7
95.04964	7.8
95.08618	17.9
97.06528	21.0
99.04469	3.4
99.08092	5.0
105.07050	18.3
107.04942	14.0
107.08591	20.8
109.06540	4.5
109.10178	16.8
111.08094	6.2
118.06580	3.1
119.04933	2.7
119.08598	12.2
120.08119	3.9
121.02850	2.8
121.06588	2.5
121.10166	17.5
123.11726	33.3
125.09631	5.4
127.08660	3.8
127.11184	7.4
129.10191	2.5
131.08638	2.9
133.10147	19.6
135.11690	10.0
136.07591	3.3
137.06013	4.4
137.13225	3.2
139.11180	8.8
141.12750	18.8
145.10124	10.3
147.11668	7.4
149.09659	4.2
149.13255	8.3
151.11162	16.2
153.12717	5.7
155.08070	2.8
159.11694	8.7
161.13206	3.6
165.12769	2.5
166.08540	3.6
173.13348	3.7
175.14842	5.3
183.13785	4.4
189.16364	3.3
191.17906	3.1
193.15916	3.5
201.16411	11.7
211.16899	6.9
219.17424	11.9
237.18517	100.0
255.19629	27.7
273.20636	6.1
293.24713	4.6
305.24817	18.6
323.25809	23.5
341.26706	4.7
345.56348	2.6
359.28000	7.1
377.29169	4.1
395.29965	4.4
557.28754	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	557.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
57.03440	0.7
57.07078	4.1
59.04984	1.4
66.05669	0.6
67.05512	8.4
69.03426	2.3
69.07076	10.1
69.21996	5.6
70.06590	2.1
71.04996	9.6
72.08144	1.5
73.06590	0.7
79.05493	4.2
81.07062	21.0
83.04991	2.2
83.08629	2.6
83.24103	0.8
84.08175	1.4
85.02901	2.1
85.06547	100.0
86.09713	2.1
87.05604	1.0
89.06045	1.6
91.05474	4.3
93.07047	13.1
95.04966	4.2
95.08609	10.0
97.02879	1.1
97.06531	12.6
97.10165	0.8
98.57364	0.8
99.08081	3.3
101.06006	1.1
105.07046	10.9
107.04942	1.8
107.08597	12.9
109.06539	1.7
109.10162	10.4
111.08083	2.6
111.11716	1.5
115.07635	0.7
119.08601	6.7
120.08134	1.7
121.06526	1.1
121.10146	12.6
123.08106	1.5
123.10831	1.5
123.11718	23.6
125.09639	1.8
127.11179	5.4
131.08585	2.7
133.10135	11.8
135.11682	6.0
137.05966	1.3
137.09645	1.7
137.13239	3.4
139.11197	5.7
141.12741	12.3
145.10127	5.3
147.11703	4.6
149.13248	4.2
151.11179	11.3
153.12772	4.7
155.10692	1.0
157.10094	1.2
159.11737	5.5
161.13257	3.3
163.11296	0.8
165.12755	1.4
169.12222	1.5
173.13370	1.4
175.14888	3.8
177.16473	1.5
181.12292	1.2
183.13847	3.6
189.16385	1.0
191.17960	2.3
193.15910	2.5
201.12392	2.0
201.14850	0.9
201.16432	4.7
207.17487	0.7
211.16977	1.9
216.07068	0.7
219.17429	10.0
219.35265	0.8
219.67859	0.7
237.18504	71.9
238.18903	1.3
255.19563	23.5
269.22778	1.1
273.20673	2.0
275.23697	1.3
287.23654	3.9
293.24780	4.2
305.24765	8.8
323.25839	9.1
329.26904	1.1
341.27057	1.6
343.16180	2.0
347.34985	0.8
359.28006	2.7
377.28998	1.2
395.30103	1.3
551.68695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.0
57.07082	2.3
59.91040	2.0
67.05496	8.1
69.03414	2.2
69.07077	10.6
70.06588	3.9
70.57071	2.8
70.57384	4.5
71.05006	11.4
79.05474	6.4
81.07058	26.1
83.08606	3.9
84.08130	2.2
85.02927	2.9
85.06547	100.0
86.09679	4.8
88.48988	2.2
88.53033	2.0
90.21944	2.1
91.05481	4.8
93.07041	11.8
95.04985	3.7
95.08615	10.2
97.06542	11.8
99.08102	3.2
105.07043	13.1
107.04935	7.7
107.08613	14.9
109.10191	10.1
111.08062	4.1
117.70851	2.2
119.08572	6.8
121.10148	10.3
123.11719	27.6
125.09653	2.3
127.11160	6.5
129.10168	2.5
133.10143	14.5
135.11681	6.8
137.13261	2.5
139.11182	6.9
141.12759	16.6
145.10155	10.5
147.05887	3.3
147.11694	5.0
149.13228	6.4
151.11208	10.9
153.12715	4.5
159.11707	6.4
161.13297	2.5
169.12236	4.6
175.14789	5.7
183.13821	4.7
193.15851	5.2
201.16391	8.1
201.18024	2.3
219.17531	10.5
237.18501	86.7
255.19559	23.1
273.20810	3.2
287.23569	3.2
293.24557	3.7
297.12430	2.4
299.05579	4.3
300.05835	5.6
301.06055	10.9
305.24689	11.5
323.25882	14.2
341.26871	3.6
359.28073	5.3
377.28842	2.3
393.09494	2.8
394.10141	5.7
395.10272	17.3
427.18875	3.0
577.94653	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	557.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.2
57.07064	3.6
67.05505	9.7
69.03419	2.6
69.07071	13.4
69.42611	8.8
70.06593	9.4
71.04998	11.4
72.08156	1.9
74.15437	1.6
75.23393	1.4
75.26794	1.4
79.05491	6.4
81.07054	31.4
83.04982	3.8
83.08613	2.8
84.08149	19.5
85.02898	3.1
85.06546	100.0
86.09700	5.4
91.05486	6.3
93.07037	16.9
95.04961	6.8
95.08615	19.1
97.06538	19.7
97.10197	2.4
99.08108	4.3
100.93725	1.3
101.06013	2.2
105.07030	13.1
107.04967	3.8
107.08606	21.7
109.06490	3.7
109.10180	12.4
111.08128	3.6
111.11710	2.8
119.04857	1.6
119.08558	7.8
121.10164	16.9
123.08054	2.0
123.11709	33.5
125.09618	3.1
127.11180	8.1
131.08586	3.3
133.10129	15.9
135.11719	8.6
137.09628	3.0
137.13289	3.0
139.11163	6.6
141.10271	1.6
141.11697	2.1
141.12747	17.4
145.10132	8.2
147.11708	7.5
149.13260	6.4
151.11176	15.7
153.12762	4.7
159.11670	7.2
161.13258	4.2
165.12793	2.7
169.12238	2.9
173.13251	2.7
175.14851	7.5
177.16313	2.0
183.13777	4.2
189.16327	2.5
191.17908	2.6
193.15900	3.7
201.14803	2.8
201.16438	8.3
208.94115	1.8
209.18985	1.9
211.17015	4.0
217.05374	1.7
219.17439	12.6
237.18501	90.9
255.19577	32.9
273.20541	3.6
275.23700	1.6
287.23743	4.6
293.24719	8.3
305.24783	15.0
323.25775	15.6
341.27017	4.8
359.27856	4.8
377.28702	2.7
395.30017	6.2
557.34229	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06324	2.2
53.03941	2.1
55.01865	3.2
55.05521	17.2
57.03426	6.5
57.07070	2.8
67.05507	37.8
69.07076	15.5
69.28214	2.9
69.28619	13.7
71.04977	2.4
75.51357	1.6
79.05499	35.9
81.03411	3.2
81.07057	39.4
83.04971	5.9
83.08607	9.9
85.06570	3.1
87.64450	1.8
87.71420	2.3
91.05489	40.0
93.07048	32.2
95.05000	4.6
95.08608	31.6
97.06512	3.3
97.10148	2.9
98.98473	3.4
102.67407	1.8
105.06395	1.3
105.07040	34.9
107.04993	4.2
107.08590	20.9
109.06548	3.2
109.10155	12.9
110.34824	2.0
111.08096	2.2
115.05493	1.9
117.07022	15.7
119.08588	25.6
121.10187	10.9
123.08056	3.4
125.09560	2.0
128.06235	5.1
129.06999	19.0
131.08566	25.2
133.10141	18.1
135.08066	2.1
135.11684	10.8
141.07008	6.1
142.07866	2.5
142.42813	2.0
143.08569	21.2
145.06470	3.4
145.10123	24.9
147.11719	14.8
149.13228	4.0
153.06992	2.6
155.01009	4.7
155.08575	17.4
156.09314	3.4
157.10141	16.9
159.11694	16.5
161.13264	8.7
163.11232	3.1
165.07040	3.8
167.08560	9.0
168.09413	3.3
169.10165	17.7
170.11017	2.5
171.08070	2.6
171.11691	19.0
173.13255	12.0
175.11195	3.0
175.14803	5.3
177.12790	2.5
180.09451	2.3
181.10121	13.0
182.10965	4.4
183.11713	18.5
185.09692	3.1
185.13277	14.6
187.11218	3.1
187.14764	5.2
189.12688	3.4
193.10153	2.9
195.11647	12.5
197.13268	12.8
199.14801	7.5
207.11717	4.0
207.13708	2.8
209.13222	9.6
211.14822	10.4
213.16373	7.9
223.14836	5.2
233.13260	4.4
235.14812	2.6
237.16328	4.5
239.18028	3.9
241.19510	6.4
247.16954	3.7
251.18013	2.9
259.20535	11.0
279.16025	5.2
281.17389	9.2
315.23572	2.6
321.22070	3.3
333.24185	6.1
335.23563	3.1
339.23315	2.8
341.24893	2.3
349.25406	2.2
353.24695	3.1
357.27390	2.8
367.26450	3.0
386.68738	2.0
419.33020	4.7
429.31616	2.8
437.34158	11.4
447.32678	23.9
465.33670	29.6
483.34866	20.2
501.35947	4.7
521.36182	6.8
529.38647	7.0
539.37341	100.0
557.29596	3.9
557.38428	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98018	2.1
53.03937	5.8
55.01873	4.3
55.05513	22.8
57.03421	5.7
57.07056	5.7
65.03916	3.1
67.05505	48.8
69.07062	19.3
71.04990	4.7
71.08637	2.2
71.48460	2.0
71.48875	2.6
79.05073	3.1
79.05492	37.3
81.03400	4.9
81.06599	3.7
81.07058	58.9
83.04965	6.9
83.08611	10.6
85.06509	3.0
85.10189	2.5
91.05486	45.7
93.07047	44.9
93.36761	1.9
95.04958	7.6
95.08612	33.4
97.06541	4.5
97.10152	7.7
98.98456	10.1
99.08096	2.7
105.07028	47.7
107.04948	5.7
107.08594	22.6
109.06516	6.0
109.10184	14.1
111.08062	2.9
116.06216	2.6
117.07030	18.2
119.08578	34.7
121.06522	3.1
121.10147	13.1
123.08027	4.4
123.11694	2.8
128.06252	6.7
129.07013	20.1
131.08572	31.0
133.06432	2.5
133.10139	20.2
135.08054	3.7
135.11687	9.1
137.09552	2.1
141.06973	8.3
142.07788	3.1
143.08556	24.5
145.06433	4.3
145.10123	30.6
147.08040	3.8
147.11687	19.8
149.13249	4.7
155.01019	13.1
155.08542	20.8
157.10144	25.3
159.11681	20.9
161.09683	3.6
161.13231	11.3
163.11206	4.9
165.07018	2.3
167.08551	4.8
168.09348	2.8
169.10120	22.4
171.11693	25.9
173.13263	10.7
173.84579	2.5
175.14780	7.5
177.12723	2.3
179.08525	3.4
181.10101	12.6
183.11679	16.6
185.06076	2.3
185.13284	11.8
187.11201	3.1
187.14825	6.6
189.12868	2.7
193.10106	3.5
195.11711	15.7
197.13249	13.8
199.14848	8.8
207.11765	2.7
207.13809	7.0
209.13153	10.3
211.14787	9.7
213.16383	10.4
221.13208	4.5
223.14827	8.4
225.16379	3.7
235.14732	4.6
241.19516	8.5
247.16914	2.9
251.17963	2.4
257.18921	4.7
259.20551	15.4
277.21756	2.7
279.15955	4.4
281.17404	7.7
297.22076	3.5
313.27472	3.4
315.27982	3.3
333.24179	7.5
335.23749	4.4
349.24738	2.4
353.24655	4.1
429.31479	4.5
437.34299	10.0
447.32736	23.9
465.33685	26.0
483.34689	16.5
501.35513	2.8
511.37366	2.4
521.36194	10.6
522.35254	2.7
527.37134	2.7
529.38635	9.3
539.37360	100.0
557.29266	32.6
557.38147	57.9
558.29352	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01863	5.4
55.05516	33.6
57.03433	9.9
57.07081	7.1
67.05512	74.5
69.03435	3.6
69.07085	26.9
70.15565	3.2
71.05009	3.6
71.08649	5.2
71.49050	3.6
71.49380	3.2
72.08138	14.0
74.09726	3.6
79.05505	66.1
81.03408	10.0
81.06596	4.8
81.07065	67.6
83.04981	12.0
83.08628	13.2
85.06516	3.3
89.06020	15.0
91.05490	59.1
93.07050	57.4
95.02599	3.2
95.04958	13.2
95.08619	56.4
97.06548	6.2
97.10188	8.4
103.05449	4.3
105.07048	54.7
107.04955	14.2
107.08595	31.5
109.10165	25.4
109.85601	3.2
111.08097	5.9
115.05422	4.3
117.07032	29.6
119.08591	36.1
121.06522	4.1
121.10156	28.8
123.08087	6.4
123.11681	6.0
125.09646	6.7
128.06190	5.3
129.07014	21.0
131.08575	43.2
131.35796	3.3
133.08595	5.8
133.10158	26.4
134.09000	4.3
135.08078	5.1
135.11708	17.0
141.06966	7.9
142.07782	7.2
143.08565	31.2
145.10152	35.7
147.11703	25.7
149.13248	6.1
153.12581	3.3
155.08554	20.2
157.10149	28.6
159.11726	23.6
161.13237	14.2
163.11172	4.7
167.08594	7.3
167.10684	4.5
168.09367	4.6
169.10138	26.6
171.11658	29.9
173.13278	15.1
175.14784	7.0
179.08656	5.0
181.10120	10.8
183.11707	16.9
185.09595	4.5
185.13354	17.3
187.11162	6.1
187.14821	9.8
189.12828	3.8
193.10060	6.0
195.11688	12.8
197.13252	10.2
199.14795	11.3
205.12303	4.8
207.11691	4.2
209.13272	10.4
211.14857	8.2
213.16443	12.0
223.13127	16.7
223.15186	4.6
225.16438	6.0
241.19568	9.8
251.17989	5.6
256.26401	4.0
259.20642	10.3
279.15912	5.2
281.17505	5.6
311.23795	5.0
333.24377	4.8
335.23557	3.9
353.24603	4.8
367.26215	4.9
429.31418	7.0
437.34244	6.4
447.32477	24.3
465.33694	30.6
483.34503	19.3
501.35971	5.0
503.34665	3.7
521.36407	6.1
529.38916	4.9
539.37323	100.0
557.38080	79.8
557.53387	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	558.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76449	2.2
55.05509	12.0
57.07067	5.3
58.78762	2.6
65.03947	2.2
67.05509	28.4
69.03432	39.6
69.07070	10.4
69.46742	16.9
71.05023	2.7
73.06577	2.0
79.05510	12.7
81.07059	22.7
83.04987	4.0
83.08604	7.9
91.05483	11.1
93.07043	25.3
95.04983	30.5
95.08609	33.8
97.06525	4.5
97.10155	5.4
99.08079	5.3
105.07040	22.1
107.04942	5.2
107.08595	23.8
109.06501	4.1
109.10159	24.1
111.08086	3.6
114.13406	2.5
117.06980	3.9
119.08576	28.7
121.10169	23.7
123.08060	9.1
123.11717	13.7
125.09605	4.6
129.07047	2.7
131.08554	21.3
133.10109	19.3
135.07997	4.5
135.11707	9.3
137.09618	6.3
142.07753	2.9
143.08546	7.6
145.10139	22.4
147.11699	15.5
149.09612	5.4
149.13242	6.3
151.11150	4.0
155.08569	5.2
157.10130	11.7
159.11678	19.8
161.09639	3.2
161.13240	31.5
163.11171	5.6
163.14789	4.1
167.10725	3.0
169.10126	8.7
170.10907	3.4
171.11682	12.0
172.12349	2.1
173.13272	11.9
175.14769	7.1
177.12779	4.3
183.11729	11.2
184.12361	2.5
185.13283	14.4
187.11162	2.2
187.14864	13.1
189.12741	3.8
189.16399	5.7
191.14348	2.3
195.11656	5.0
197.13264	8.1
199.14848	11.7
201.12674	4.9
201.16417	5.9
203.14302	7.5
207.17514	2.1
209.13274	3.8
211.14828	9.1
213.12709	2.7
213.16382	7.7
215.14246	3.1
215.17979	3.6
217.15993	2.9
220.12598	2.3
223.14949	4.5
225.16380	9.4
227.17952	11.9
229.15785	4.0
231.17471	3.5
237.16318	2.8
239.17902	6.7
241.19455	3.6
245.19090	11.9
249.16367	2.8
251.18044	5.5
253.15779	3.3
253.19724	3.5
256.26437	2.5
257.18982	4.6
259.20657	6.4
263.17773	2.8
265.19553	4.9
267.17523	2.3
267.21170	2.3
269.18872	3.1
277.19577	2.8
281.19095	3.8
283.20605	6.0
293.19543	2.3
293.22855	2.7
295.20535	6.3
295.24161	9.7
297.22137	2.5
311.23718	13.8
313.25287	59.3
321.22202	2.4
337.25287	8.4
339.26819	6.7
351.26993	4.4
363.26901	19.0
381.27911	100.0
383.29422	3.6
417.31577	8.2
425.34152	3.5
426.33661	4.3
435.32791	12.2
453.33707	17.2
498.39224	9.1
558.42059	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
55.01873	3.7
55.05514	27.2
57.03428	12.1
59.87126	3.0
65.03937	4.2
67.05508	88.5
69.03423	3.1
69.07076	19.6
69.79408	6.3
69.79817	9.8
71.04984	5.1
79.05496	98.5
81.03418	7.1
81.07060	84.9
83.04980	11.6
83.08624	15.1
91.05490	62.3
93.07047	100.0
95.04977	18.6
95.08615	45.6
97.06532	5.9
97.10185	4.6
105.04482	3.5
105.07031	53.3
107.04937	6.9
107.08597	34.3
107.44849	2.9
109.06557	5.9
109.10161	18.8
111.08059	4.7
115.05403	2.7
116.87234	2.7
117.07026	15.5
117.65916	2.5
119.08597	36.5
121.06511	4.4
121.10161	19.7
123.08086	7.9
123.11720	4.5
128.06209	4.6
129.07016	17.3
129.49387	2.7
131.08569	18.5
133.10127	19.0
135.11696	13.3
143.08589	12.4
145.10112	17.0
147.11708	36.8
149.13324	4.6
157.10139	6.9
159.11723	9.4
161.09666	3.7
161.13275	14.4
171.11707	28.2
173.13301	7.7
181.10118	2.8
185.13341	3.7
189.12770	12.7
207.13814	25.8
243.21048	3.8
261.22247	7.7
279.15796	4.6
281.17496	52.7
335.25833	49.9
413.35406	3.1
417.32620	3.1
467.34906	4.6
471.05157	2.8
491.76166	3.7
541.38989	66.7
559.40021	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
54.96762	2.4
55.01851	4.9
55.05514	35.2
57.03424	9.6
57.07068	3.0
58.32442	2.0
65.03946	5.3
67.05505	98.4
69.03412	2.2
69.06719	3.0
69.07068	21.6
70.73838	4.5
71.04985	5.8
73.06551	4.7
77.03915	4.3
79.05491	100.0
79.30862	2.8
81.03418	8.1
81.07055	90.7
83.04972	16.5
83.08630	12.4
85.06553	4.4
91.05480	65.5
93.07043	91.9
95.04958	20.1
95.08607	63.5
97.06512	6.5
97.10140	5.3
99.14861	2.4
103.23387	2.9
105.04510	3.3
105.07027	57.5
107.04961	7.4
107.08584	38.8
108.05501	2.3
109.06524	5.0
109.10140	23.5
115.05434	3.7
117.07026	14.2
119.08576	30.4
119.34200	2.1
121.10172	24.1
123.08039	4.9
123.11703	8.0
127.07547	2.4
128.06190	2.8
129.07018	18.2
131.08554	21.1
133.10139	20.2
135.11700	18.4
140.37624	2.4
141.06953	3.4
143.08553	11.6
145.10144	21.2
147.11688	36.6
149.13239	7.4
155.08546	3.9
157.10114	5.1
159.11713	11.6
161.09657	3.5
161.13242	15.3
165.12752	2.8
169.10152	4.2
171.11710	26.0
173.13274	6.9
183.11601	3.6
185.13297	2.4
187.14818	3.8
189.12743	9.8
192.18300	2.4
196.99120	2.2
197.13356	4.4
207.13788	25.5
224.36266	2.8
225.14838	2.8
225.62315	2.3
243.21071	5.5
261.22122	13.0
279.15820	5.4
281.17496	44.5
305.68335	2.3
313.25729	2.4
331.77777	2.6
335.25812	53.0
350.21481	2.4
449.33884	3.8
467.35046	2.5
485.36224	5.8
541.38953	62.0
559.39777	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.9
53.15057	4.9
55.05517	26.6
57.03415	9.2
57.07067	15.2
62.80779	4.3
67.05506	92.9
67.53290	4.6
69.07075	30.3
71.08639	7.0
71.09725	6.6
71.10048	7.3
76.36565	4.8
77.84058	4.5
79.05495	80.4
80.82116	4.8
81.03400	14.6
81.07058	96.5
83.04974	11.0
83.08608	22.3
87.04422	4.9
91.05486	78.2
93.06480	8.1
93.07042	100.0
95.04975	17.1
95.08609	68.2
97.06506	6.9
97.10149	7.0
105.04486	6.1
105.07048	61.9
107.04942	19.3
107.08598	45.9
109.06499	9.2
109.10170	35.6
111.08086	6.9
117.07021	17.9
119.08572	46.8
121.10143	35.7
123.11722	9.9
129.06970	15.6
131.08554	20.4
133.10120	24.3
135.11696	21.5
143.08530	13.7
145.10132	25.8
147.11673	43.3
149.13271	11.0
157.10088	11.3
159.11687	18.4
161.13263	19.1
163.14775	8.8
169.10150	5.7
171.11717	26.6
173.13263	11.6
175.14769	5.7
187.14732	6.4
207.13808	21.5
211.13307	8.7
220.52095	5.0
253.04633	5.5
261.22302	9.8
279.15936	8.2
281.17410	40.7
285.17050	6.8
286.17239	5.9
313.27393	5.8
314.27664	9.9
335.25790	41.1
340.85422	4.5
366.53146	5.1
453.37051	7.4
541.38757	49.5
558.53857	9.0
559.39880	20.1
559.54443	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67178	2.5
53.03940	9.6
55.01865	5.5
55.05511	34.8
57.03437	11.9
57.07068	5.3
65.03951	4.7
67.05504	93.2
69.07069	27.9
70.98449	3.0
70.98769	4.7
71.04983	8.6
71.08628	3.9
71.79521	2.5
73.03210	2.4
74.99490	2.4
76.00504	2.9
79.05492	100.0
81.03410	8.4
81.07053	96.1
83.04977	12.9
83.08627	14.7
85.06550	4.5
85.99158	2.5
89.06034	3.4
91.05486	73.5
93.07045	92.8
95.04979	20.5
95.08607	62.7
97.06538	6.8
97.10167	4.0
105.07034	56.8
107.04959	20.2
107.08604	37.6
109.06534	6.5
109.10169	24.4
111.08043	3.6
117.06992	18.6
119.08595	30.5
121.06486	6.6
121.10178	22.7
123.08083	7.7
123.11687	3.4
128.06291	3.4
129.07004	21.1
130.07796	3.4
131.08559	26.8
133.10127	21.3
135.08028	2.8
135.11697	15.9
141.06955	3.2
143.08551	20.0
145.10114	26.8
147.11696	41.4
149.09575	3.4
149.13249	7.7
151.11111	3.3
155.08545	4.9
157.10126	9.9
159.11720	10.9
161.13301	19.4
161.14409	3.2
163.11235	3.6
169.10132	7.8
171.11696	26.4
173.05971	3.2
173.13222	6.1
173.70224	2.6
175.14880	3.4
179.14302	3.4
185.13364	4.6
187.14778	3.8
189.12764	8.1
199.14912	3.7
207.13788	29.6
243.21149	5.1
261.22104	7.8
279.15863	5.4
281.17453	46.9
315.22937	3.3
335.25848	45.3
335.29556	5.4
449.34061	6.8
467.35202	5.4
527.37268	14.8
541.32208	3.2
541.39093	53.9
559.40204	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.05510	31.0
55.28653	2.7
57.03435	9.8
57.07079	4.6
58.32655	2.5
65.03939	4.8
67.05508	100.0
69.03440	4.0
69.07069	23.2
70.08219	9.7
70.08633	5.7
71.04996	7.6
79.05497	96.9
80.06269	2.8
81.03417	11.6
81.07059	89.0
83.04980	10.2
83.08624	10.9
85.06561	3.5
90.96165	3.1
91.05489	78.1
93.07043	96.1
95.04974	22.5
95.08608	70.4
97.06528	7.1
97.10197	4.9
105.07036	49.7
107.04958	35.9
107.08586	34.6
107.91346	2.8
109.06536	8.4
109.10168	23.2
111.08098	5.6
115.05507	4.5
117.07022	23.7
119.08580	35.8
121.06506	5.4
121.10139	25.7
122.35384	3.0
123.08094	8.9
123.11705	4.6
129.07031	16.4
130.07820	3.4
131.08600	21.5
133.06442	4.2
133.10149	24.4
135.08096	3.7
135.11691	16.2
143.08556	18.5
144.05627	3.7
145.06485	9.1
145.10136	24.6
147.08041	6.2
147.11691	37.4
149.13324	6.4
155.08620	4.0
156.09303	3.2
157.10133	7.4
159.08130	4.6
159.11728	14.7
161.09616	6.5
161.13287	11.8
169.10266	3.9
171.08038	4.4
171.11656	24.1
173.05995	11.2
173.13280	8.4
179.14476	3.5
183.11732	5.8
187.14806	4.6
189.12746	7.5
207.13788	25.6
249.18774	3.0
261.22192	10.6
279.16104	4.1
281.17462	40.9
317.58444	3.6
335.25784	44.8
385.02789	3.0
411.94742	3.3
436.40887	3.7
449.34842	2.9
467.35416	5.0
468.87299	2.8
541.38910	77.2
559.40576	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05317	1.6
55.05515	17.4
57.07064	5.9
65.03912	3.8
67.05506	31.8
69.07073	40.1
71.04979	1.9
71.15682	3.3
71.16004	1.9
79.05493	28.7
81.07060	100.0
83.04963	3.6
83.08637	13.9
85.06536	1.8
88.90588	1.5
91.05482	21.0
91.47057	1.7
93.06492	3.3
93.07052	52.2
95.04958	4.0
95.08612	84.0
97.06533	3.1
97.10158	7.4
105.07036	43.1
107.08598	55.6
109.10161	53.2
111.08055	2.3
111.11720	5.1
113.03203	1.9
117.06991	5.3
119.08592	42.7
121.10147	39.2
121.64048	2.2
123.08104	3.2
123.11716	24.8
129.07045	3.4
131.08591	17.0
133.10135	31.2
135.08060	2.8
135.11694	34.4
137.13248	10.1
137.67271	1.8
142.07753	2.0
143.08556	7.8
145.10129	26.7
147.11693	30.1
149.09560	2.5
149.13287	22.3
151.11176	4.7
151.14813	2.1
155.08559	2.6
157.10133	12.2
159.11697	24.5
161.13266	22.2
163.14853	13.1
165.16423	2.0
169.10110	5.4
171.11703	10.1
173.13275	22.4
175.14851	17.5
177.16338	9.5
183.11729	4.2
184.12459	2.0
185.13278	9.9
187.14859	14.6
189.16446	12.7
191.17944	4.4
195.11789	3.3
197.13199	4.1
199.14795	9.9
201.16440	12.8
203.17943	8.0
211.14857	2.3
213.16417	9.5
215.17940	7.7
217.19615	8.8
225.16365	5.2
227.17899	7.1
229.19559	5.9
231.21100	2.6
241.19467	4.9
243.21066	3.4
245.22734	2.4
255.21101	3.3
257.22702	2.8
267.21124	2.2
269.22580	3.7
271.24442	2.7
281.22891	2.5
283.24274	3.1
289.80307	1.7
295.24326	2.3
303.01212	2.0
339.30597	4.4
342.21301	1.7
448.23749	2.2
499.35229	1.9
541.47632	13.6
559.48804	57.5
560.49139	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	559.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.05511	24.6
55.87958	2.2
57.07068	4.9
65.03943	4.9
67.05509	35.5
69.07071	43.8
69.78127	11.4
71.05038	2.2
71.08644	4.6
79.05500	26.5
81.07059	100.0
83.08614	14.1
85.06560	2.6
85.78323	2.2
88.66210	2.4
91.05487	24.3
93.07044	55.1
95.05007	3.2
95.08615	88.9
97.06563	2.3
97.10188	7.3
98.21493	2.5
99.87503	2.2
105.07037	46.4
107.08601	65.4
109.06512	3.3
109.10165	65.3
111.08082	5.0
111.11734	7.9
113.09653	2.2
117.07042	7.4
119.08591	56.1
121.10146	51.0
123.11692	22.8
125.09647	3.7
128.06261	2.7
129.07050	3.3
131.08569	18.2
133.10129	40.3
135.11690	39.7
137.13286	9.3
142.07748	3.4
143.08568	9.0
144.09367	3.3
145.10126	21.9
147.11696	35.5
149.13275	25.1
151.11186	3.1
155.08540	4.4
157.10092	12.5
159.11690	31.5
161.13261	24.5
163.11229	2.5
163.14842	17.2
169.10164	5.2
171.11636	11.4
173.13297	18.6
175.14815	21.6
177.16328	10.8
183.11777	6.7
185.13249	10.4
187.14847	18.9
189.16434	15.4
191.18018	6.1
197.13315	8.3
199.14754	11.7
201.16350	10.9
203.17964	15.6
209.13292	2.8
211.14986	4.3
213.16370	13.7
215.18008	9.3
217.19620	8.2
223.14876	2.8
225.16501	4.4
226.91103	2.7
227.17970	7.1
229.19614	6.8
231.21178	3.8
239.17912	4.8
241.19547	4.6
243.21072	7.1
245.22597	3.2
253.19742	3.6
255.21240	6.9
257.22672	5.7
269.22726	6.9
269.25735	2.2
271.24271	5.5
273.22064	2.5
281.22687	3.2
283.24286	3.7
285.25525	2.6
323.27490	3.1
325.29016	3.3
337.28531	2.5
345.20477	2.7
351.30692	2.9
368.24377	2.8
377.32220	2.3
405.35190	2.4
473.41632	4.4
541.47729	16.5
543.70154	2.3
559.48846	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	559.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49504	2.2
53.03938	4.3
55.05509	20.8
57.07068	7.2
64.80972	1.8
65.03926	2.9
67.05502	33.7
69.07067	33.0
69.24522	4.1
69.24937	13.9
71.05009	2.0
71.08631	4.0
72.88425	1.9
74.68108	1.7
79.05486	24.8
81.07053	100.0
83.08621	15.6
89.22807	1.8
91.05480	25.1
93.07040	55.2
95.04940	2.4
95.08609	77.6
97.06512	2.3
97.10171	6.9
99.08111	2.4
105.07031	42.4
107.08595	59.8
109.10154	58.2
111.08123	2.2
111.11711	3.8
115.05379	1.9
117.07050	6.5
119.08591	41.7
119.09385	3.9
121.00639	2.0
121.10139	46.8
123.11704	23.5
131.08545	16.5
133.10133	30.5
135.11678	36.7
137.09641	2.8
137.13242	5.8
143.08589	8.9
145.10127	24.3
147.11694	32.3
149.13255	31.9
151.11182	2.7
155.08597	3.0
157.10182	13.3
158.10854	2.3
159.11700	29.8
161.13260	26.3
163.14828	13.7
169.10136	5.4
171.11668	10.3
173.13240	17.8
175.11349	2.1
175.14832	15.1
177.16464	8.7
183.11717	7.3
185.13287	9.0
187.14774	12.1
189.16344	11.6
191.14442	2.1
191.17973	3.8
197.13342	8.2
199.14781	9.7
201.16438	11.6
203.18001	9.8
209.13350	2.6
211.14929	4.1
213.16476	8.8
215.17934	10.4
217.19592	7.8
227.18004	6.6
229.19632	6.1
231.21207	2.9
239.17993	3.5
241.19646	4.5
243.21165	5.1
253.19527	2.8
255.21124	3.0
257.22739	5.4
267.21167	2.7
269.22684	3.7
271.24228	2.6
273.26147	2.1
275.23810	2.0
281.22873	2.3
283.24261	4.2
295.24295	2.4
297.25870	2.7
311.27319	2.8
337.28757	4.1
341.28717	2.4
426.52267	2.0
459.39871	2.5
525.29565	2.0
541.47614	15.9
559.41400	3.8
559.48883	67.0
560.49237	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.05512	21.6
56.62766	3.2
57.07059	9.4
65.03941	3.9
67.05506	44.5
69.06740	3.9
69.07077	38.7
71.08630	4.1
71.49300	4.1
79.05495	32.9
81.07063	100.0
81.07533	5.5
83.08623	10.4
91.05483	31.3
93.07057	62.9
94.76202	3.3
95.04976	6.4
95.08614	99.6
97.06527	6.3
97.10177	9.8
99.08108	3.3
105.07034	47.7
107.08597	67.6
109.06505	3.8
109.10165	61.5
110.17337	3.4
111.11717	5.4
113.21162	3.8
117.07048	9.1
117.25803	3.0
119.08582	52.9
121.10149	47.8
123.11715	30.0
125.09663	4.0
129.07036	3.9
131.08578	20.7
133.10135	28.9
135.11696	33.6
137.13251	10.2
139.11098	3.8
143.08559	7.8
144.09367	3.8
145.10124	26.7
147.11717	32.9
149.13271	33.1
155.08470	3.7
157.10141	15.2
159.11697	32.1
160.80353	3.5
161.13232	22.4
163.14838	18.2
166.61516	3.3
169.10165	5.8
171.11685	9.0
173.13271	16.0
175.14844	16.3
177.16312	9.2
183.11707	6.2
185.13280	15.3
187.14865	13.6
189.16464	10.2
191.17995	6.1
199.14845	12.6
201.16417	8.0
203.17867	8.7
211.14873	4.6
213.16312	7.6
215.17964	10.0
225.16422	7.4
227.17960	5.3
229.19556	5.4
241.19421	3.9
253.19691	3.8
257.22559	4.5
269.22672	5.3
446.70581	3.2
541.47321	13.3
559.41150	4.7
559.48651	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.2
56.10440	0.3
57.03410	1.9
61.02903	1.7
67.05480	1.2
67.48530	0.4
69.03429	4.1
70.06572	0.7
70.61024	0.9
71.01344	0.6
73.02881	1.2
79.39697	0.4
81.03407	1.1
85.02899	6.4
86.09692	0.7
87.04430	0.5
97.02887	3.2
99.04456	0.5
101.65593	0.5
107.04945	2.1
108.05239	0.5
109.02866	0.9
127.03908	1.2
127.89996	0.4
134.04614	6.3
145.04987	0.6
149.99916	0.6
152.05661	1.3
165.02324	5.0
167.02547	0.9
167.03812	0.5
175.09819	0.9
181.05435	1.7
182.04953	100.0
183.05171	0.7
190.03046	0.8
194.05014	3.2
200.09280	1.5
201.10023	0.4
205.05432	3.6
216.04669	2.1
218.04897	0.8
219.06920	1.3
221.08580	0.9
224.05974	1.4
231.06979	12.1
248.09645	25.9
266.10696	56.6
267.11072	1.0
314.09189	0.9
344.10172	0.7
380.13730	1.3
398.14886	8.6
428.15979	44.5
429.16235	1.4
493.34616	0.4
560.20190	28.2
561.20319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03954	1.3
55.01875	0.3
57.07075	3.0
61.02877	0.2
69.03442	0.4
69.93960	1.0
70.06580	0.4
77.03932	0.3
79.05482	1.2
81.07086	0.2
84.76876	0.2
85.02907	0.9
85.06544	11.5
89.74957	0.2
95.04965	1.2
96.62519	0.2
99.50631	0.2
105.04510	0.5
107.04958	100.0
108.05304	0.6
109.06547	0.3
124.30350	0.2
140.68602	0.2
144.42496	0.2
145.08603	11.6
153.21918	0.2
173.09636	0.7
191.09164	5.2
257.13861	1.9
429.67273	0.2
560.31091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
52.65569	0.3
53.03942	1.3
55.01854	0.6
57.07076	8.6
61.02937	0.5
69.03426	1.1
77.03912	0.4
79.05489	1.7
81.03418	0.7
81.07049	0.6
83.04969	0.5
85.02908	3.5
85.06548	35.4
88.46953	0.3
90.99853	0.3
95.04968	1.3
97.02900	1.0
105.04534	0.3
107.04960	100.0
108.05266	0.8
109.02879	0.4
109.06521	0.8
127.03916	0.5
127.07561	0.5
131.04974	0.9
132.05254	0.5
144.08150	0.3
145.04977	1.5
145.08606	35.8
146.08926	0.5
173.08243	0.6
173.09679	1.7
191.09154	19.8
229.33430	0.5
257.13831	7.4
399.10919	0.9
531.55060	0.3
564.04230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58568	0.4
53.03959	1.2
55.01860	0.7
55.05515	0.5
57.03418	0.7
57.07076	12.5
58.81032	0.4
59.70164	0.4
60.02091	0.4
61.02938	0.7
64.28424	0.5
67.05506	0.7
69.03421	1.3
69.36193	3.8
70.06592	0.6
79.05488	2.3
81.03410	1.4
81.07056	0.8
85.02911	7.4
85.06545	47.8
91.05477	0.6
93.07021	0.6
95.04968	1.6
95.08631	0.5
96.62360	0.4
97.02895	2.0
105.04514	0.7
107.04958	100.0
109.02930	0.6
119.08601	0.5
127.03968	1.5
127.07616	0.8
133.06487	0.5
145.04956	2.4
145.08603	56.3
160.10027	0.5
170.03365	0.5
173.08154	0.9
173.09621	1.2
191.09154	34.7
211.13206	0.6
229.10802	1.2
256.19562	0.5
257.13858	2.0
399.10712	1.7
423.69391	0.6
560.30615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03943	1.0
55.01862	0.2
57.07069	0.8
67.05504	0.2
69.31740	0.2
69.32154	0.7
70.06594	0.2
77.03923	0.2
79.05482	1.1
81.03410	0.2
81.33659	0.1
82.06582	0.1
83.04993	0.1
84.08139	0.1
85.02879	0.1
85.06545	3.8
86.18822	0.1
91.05462	0.1
95.04977	0.8
97.02826	0.1
105.04520	0.5
107.04957	100.0
108.05290	0.7
109.06502	0.1
109.11710	0.1
124.45575	0.1
127.07555	0.1
136.90427	0.1
145.08589	2.0
158.34950	0.1
161.09628	0.3
173.09613	0.7
182.77075	0.1
191.07629	0.1
191.09157	0.5
191.10674	0.2
207.10426	0.1
211.13290	0.2
257.13852	3.0
275.03076	0.1
398.29178	0.1
399.10831	0.1
560.31268	0.8
573.00092	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	560.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	75.3
69.07056	20.5
79.05479	65.6
79.38639	20.0
81.07065	78.6
91.05466	33.8
93.07040	61.1
95.08598	73.6
98.20643	45.2
105.07050	31.7
107.08581	40.8
119.08582	23.3
121.10099	26.6
131.08606	25.2
155.26991	20.5
161.13306	23.4
164.57985	20.2
173.13316	27.3
177.25726	20.6
229.61671	29.5
243.21210	24.4
261.22156	100.0
353.26886	37.7
493.51434	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	561.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05508	7.0
55.94696	1.8
57.03434	2.4
59.05014	2.1
64.09074	1.7
67.05510	11.6
69.03442	10.0
69.07063	5.7
70.06599	11.1
71.04983	5.7
71.48364	1.9
72.08147	4.6
74.87423	1.8
79.05503	8.6
81.03419	4.7
81.07075	15.7
83.04990	4.6
83.08607	3.0
84.04489	1.9
84.08126	4.2
85.02907	14.8
85.06528	3.5
86.09693	8.5
88.04079	1.8
91.05483	12.1
91.21319	2.0
93.07041	15.3
95.04971	5.3
95.08627	17.5
97.02888	5.7
97.06556	4.0
99.04443	5.2
99.08075	2.6
105.06415	2.2
105.07047	26.5
107.04945	11.0
107.08607	32.7
109.02912	2.8
109.06535	9.3
109.10166	20.9
110.71896	1.7
111.08108	3.6
113.09637	3.4
116.30224	1.5
117.07030	3.7
119.08587	37.1
120.08107	2.6
121.06493	2.4
121.10158	24.9
123.08067	16.1
123.11700	6.3
127.03931	4.7
129.06996	2.4
131.04936	2.4
131.08604	15.9
133.10136	100.0
135.08096	9.9
135.11693	22.6
137.09624	16.4
142.07828	2.1
143.08537	4.4
145.10130	7.2
147.11697	12.0
149.09651	8.8
149.13275	6.7
151.11203	6.4
151.23759	2.0
156.09459	1.9
157.10120	2.0
158.10916	4.0
159.11707	4.4
161.13290	6.0
163.11096	3.4
163.14792	4.2
171.11673	2.6
173.13304	20.1
175.11237	2.9
175.14841	28.6
177.12767	2.0
179.10646	4.2
179.14339	1.9
179.92381	1.8
185.13228	3.3
187.14752	1.9
189.12749	9.0
191.14317	46.4
198.70393	2.1
201.12671	2.6
201.62566	1.9
205.12341	3.1
207.13797	7.8
209.15388	4.6
223.15038	2.0
337.25101	2.3
381.27774	7.7
399.28918	6.3
534.68829	1.8
561.19855	2.2
561.34332	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50703	2.1
53.03941	5.3
55.01878	4.5
55.05518	34.2
57.03447	12.9
57.07067	3.9
59.04994	2.6
64.81924	2.0
65.03930	4.9
67.05509	100.0
68.08434	2.2
69.03429	5.3
69.06738	2.8
69.07079	32.8
69.33463	2.3
71.04997	10.7
71.08638	5.7
74.30121	1.9
79.05499	66.1
81.03405	8.6
81.07064	90.5
81.81709	2.0
83.04958	9.9
83.08621	17.3
85.02886	2.4
85.06532	5.2
86.75114	2.0
91.05488	66.1
91.24035	2.2
93.07049	69.3
95.04971	14.8
95.08614	49.8
97.02877	3.4
97.06520	9.3
97.10169	7.7
99.08083	6.1
105.07039	63.9
107.04984	11.8
107.08601	43.8
109.06544	12.6
109.10170	41.1
111.04427	7.2
111.08102	6.4
117.07013	20.1
119.08587	41.1
121.06501	7.2
121.10153	33.1
123.08069	8.4
123.11671	12.7
125.09615	7.8
129.06985	15.6
131.08597	30.4
133.06505	5.2
133.10135	39.1
135.08032	7.9
135.11696	20.6
137.09616	4.4
139.11127	3.4
141.06963	3.2
142.02542	2.4
143.08586	12.1
145.06487	3.2
145.10143	21.7
147.08066	5.5
147.11711	23.8
149.09599	9.5
149.13248	8.2
150.90102	2.4
151.11169	8.0
155.08551	8.5
157.10130	15.0
159.08066	3.1
159.11702	23.7
161.09654	6.2
161.13258	10.7
163.11237	8.2
163.14836	4.7
165.12804	3.4
169.10136	5.9
171.10355	3.1
171.11642	14.2
173.09642	5.4
173.11845	3.7
173.13251	11.5
175.11186	3.6
177.12828	2.8
179.14304	8.0
181.10124	2.8
183.11705	11.1
185.09547	3.8
185.13242	7.5
187.14870	7.8
189.12743	4.6
193.12276	3.8
195.11725	4.3
195.13817	3.8
197.13274	6.4
198.07875	2.4
199.14841	5.0
203.14297	3.4
209.11659	22.1
209.13342	3.9
211.14955	3.1
213.16364	4.1
227.12753	7.2
229.14394	6.7
243.17586	2.8
247.17073	2.5
253.14340	7.1
257.18854	3.0
259.20584	4.9
261.22101	5.8
267.15814	4.1
273.18890	2.1
273.22177	8.4
275.20148	3.9
277.21701	11.9
283.15375	7.1
287.20087	2.6
289.21826	2.9
293.21198	4.2
299.20053	2.9
301.21637	3.9
315.23151	13.8
317.21048	5.2
325.21512	2.6
333.24249	4.3
373.23666	7.4
389.27029	4.2
391.24921	2.9
423.32516	3.6
433.31055	6.1
451.32401	17.3
469.33121	15.8
487.33936	7.8
515.37640	4.0
525.35938	21.8
543.36847	73.1
561.37946	45.4
573.15552	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	561.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.0
51.02370	1.5
53.03948	6.4
55.01869	2.4
55.05272	1.8
55.05516	23.0
57.03436	3.2
57.07070	2.8
61.02921	1.2
65.03942	3.6
67.05507	80.6
69.03427	3.1
69.07070	17.2
69.15994	1.3
69.16325	11.8
71.04995	52.7
73.06570	1.1
78.57944	1.2
78.94888	1.1
79.05495	62.3
81.03419	1.5
81.07057	100.0
83.04970	11.2
83.08621	11.3
85.06544	7.3
91.05484	62.2
93.07047	64.8
95.04958	6.2
95.08613	40.7
95.25642	1.0
97.06538	9.2
97.10160	3.7
99.08089	2.9
105.04523	2.3
105.07036	36.2
107.04955	3.1
107.08596	34.3
109.06522	3.9
109.10165	15.3
111.08112	3.3
117.07030	10.9
119.08580	15.1
121.06549	1.2
121.10151	23.1
121.11041	1.3
122.65364	1.1
123.11713	19.1
124.17309	1.0
125.09614	1.8
129.07007	1.7
131.08565	19.4
133.10147	34.9
135.08075	1.8
135.11699	15.7
143.08603	2.0
145.10106	8.9
147.11687	7.1
149.13272	11.9
151.11168	12.7
157.10173	2.9
159.11710	11.0
161.13297	6.6
163.14845	1.9
167.14272	1.5
169.10126	1.3
171.11726	2.7
173.13239	6.1
177.12802	4.0
183.12038	1.8
183.13811	16.5
185.13335	1.9
187.13295	3.1
187.14839	2.5
195.12212	1.0
195.13774	6.2
213.14787	1.9
227.16435	3.1
233.13086	1.5
243.20973	1.5
253.18100	1.2
261.22269	3.0
269.17572	2.5
283.19009	2.7
285.17001	3.5
289.21609	2.2
349.27435	1.7
363.25363	3.2
419.33115	1.1
437.34418	2.1
517.38953	21.2
529.38904	18.9
561.41522	55.9
562.41626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03957	7.4
55.01869	3.0
55.05512	24.5
57.03439	4.1
57.07074	3.1
59.04993	1.4
61.02957	1.5
65.03940	3.4
67.05505	91.9
68.12875	1.1
69.03429	3.4
69.07071	22.0
71.04994	54.0
71.23433	1.1
74.53398	1.1
75.60950	1.1
79.05491	66.4
80.89076	1.3
81.07055	100.0
83.04974	11.6
83.08614	12.8
85.06564	6.6
87.04473	1.5
91.04903	2.8
91.05481	64.3
93.07044	66.9
95.04978	10.6
95.08604	40.8
97.06522	8.0
97.10181	3.8
99.08133	2.8
103.05496	1.6
105.04530	2.8
105.07020	35.6
105.07674	1.9
107.04974	3.5
107.08597	37.0
109.06545	4.3
109.10166	19.9
111.08104	4.4
111.11721	1.4
117.07029	11.7
119.08590	16.0
121.06544	1.6
121.10137	24.6
121.10935	1.8
123.08083	2.5
123.11708	22.4
125.09644	3.6
129.07042	2.5
131.08559	17.6
133.06561	1.5
133.10136	33.6
135.08080	1.8
135.11697	14.7
137.06052	1.5
137.09618	1.9
143.08615	1.2
145.10158	9.1
146.82916	1.4
147.11722	7.8
149.13264	15.6
151.11171	15.5
157.10109	1.9
159.11700	13.7
161.13286	4.9
163.11276	1.5
163.14836	2.2
165.12805	1.6
165.94606	1.2
169.10170	1.4
169.12390	1.6
171.11754	1.7
173.13312	4.3
175.14893	1.9
177.12793	4.4
177.16493	1.3
183.13812	19.1
187.13307	2.6
187.14810	3.0
195.13870	7.1
201.14894	1.4
209.11839	1.9
211.51216	1.4
213.16663	1.5
227.16469	2.2
241.19528	1.7
261.22223	5.0
269.17621	3.8
283.19077	3.0
285.17215	3.7
293.21140	1.7
317.24579	1.7
335.25958	1.8
361.27625	2.7
363.25616	3.9
437.34283	2.4
451.32047	1.8
469.22321	1.5
509.52640	1.3
517.38861	27.9
517.45868	2.3
529.38763	9.7
543.36755	4.1
561.41577	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03957	7.4
55.01869	3.0
55.05512	24.5
57.03439	4.1
57.07074	3.1
59.04993	1.4
61.02957	1.5
65.03940	3.4
67.05505	91.9
68.12875	1.1
69.03429	3.4
69.07071	22.0
71.04994	54.0
71.23433	1.1
74.53398	1.1
75.60950	1.1
79.05491	66.4
80.89076	1.3
81.07055	100.0
83.04974	11.6
83.08614	12.8
85.06564	6.6
87.04473	1.5
91.04903	2.8
91.05481	64.3
93.07044	66.9
95.04978	10.6
95.08604	40.8
97.06522	8.0
97.10181	3.8
99.08133	2.8
103.05496	1.6
105.04530	2.8
105.07020	35.6
105.07674	1.9
107.04974	3.5
107.08597	37.0
109.06545	4.3
109.10166	19.9
111.08104	4.4
111.11721	1.4
117.07029	11.7
119.08590	16.0
121.06544	1.6
121.10137	24.6
121.10935	1.8
123.08083	2.5
123.11708	22.4
125.09644	3.6
129.07042	2.5
131.08559	17.6
133.06561	1.5
133.10136	33.6
135.08080	1.8
135.11697	14.7
137.06052	1.5
137.09618	1.9
143.08615	1.2
145.10158	9.1
146.82916	1.4
147.11722	7.8
149.13264	15.6
151.11171	15.5
157.10109	1.9
159.11700	13.7
161.13286	4.9
163.11276	1.5
163.14836	2.2
165.12805	1.6
165.94606	1.2
169.10170	1.4
169.12390	1.6
171.11754	1.7
173.13312	4.3
175.14893	1.9
177.12793	4.4
177.16493	1.3
183.13812	19.1
187.13307	2.6
187.14810	3.0
195.13870	7.1
201.14894	1.4
209.11839	1.9
211.51216	1.4
213.16663	1.5
227.16469	2.2
241.19528	1.7
261.22223	5.0
269.17621	3.8
283.19077	3.0
285.17215	3.7
293.21140	1.7
317.24579	1.7
335.25958	1.8
361.27625	2.7
363.25616	3.9
437.34283	2.4
451.32047	1.8
469.22321	1.5
509.52640	1.3
517.38861	27.9
517.45868	2.3
529.38763	9.7
543.36755	4.1
561.41577	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01878	5.0
55.05505	32.2
57.03448	5.4
57.07076	11.8
67.05503	75.0
69.07067	32.6
71.05006	4.7
79.05501	57.3
81.07055	100.0
82.07372	8.0
83.05034	4.6
83.08620	13.0
91.05481	57.8
93.07040	80.9
94.07381	5.2
95.04980	9.8
95.08614	74.6
96.08928	5.5
97.10159	11.4
105.07025	43.1
106.07388	5.6
107.04954	3.9
107.08599	40.4
108.08903	3.6
109.10153	29.8
110.10433	5.9
117.07024	10.9
119.08592	38.5
121.10136	34.1
123.08067	5.4
123.11706	17.8
129.07001	15.1
131.08571	13.1
133.10144	24.4
135.11717	25.1
135.12564	4.4
137.09572	3.8
137.13257	6.8
143.08571	9.1
145.10110	22.0
147.11676	39.2
149.13246	17.7
159.11708	17.6
161.13269	17.5
163.14865	7.7
171.11688	20.7
173.13234	7.9
175.14842	13.1
185.13301	5.3
187.14851	4.4
189.12724	12.0
189.16386	6.5
207.13855	17.0
215.17906	3.8
227.17981	4.4
253.94980	4.2
281.17438	32.6
337.27390	39.0
444.79776	3.8
543.40436	46.9
543.48053	8.0
561.49988	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05513	16.4
57.07079	6.8
59.04974	1.3
67.05506	40.8
69.03439	1.6
69.07071	33.2
69.42777	4.9
69.43198	4.8
71.04984	3.6
71.08633	1.8
74.70406	1.3
79.05493	30.5
81.07058	100.0
83.08621	15.6
85.06538	2.0
85.10253	1.1
87.14869	1.1
91.05480	21.9
93.07046	50.3
94.38205	1.1
95.04966	3.1
95.08610	86.3
97.06570	2.7
97.10193	11.0
99.10594	1.3
101.50424	1.2
105.04496	1.6
105.07036	33.4
107.04928	1.1
107.08594	52.4
109.06516	2.6
109.10159	59.2
111.08078	1.9
111.11724	7.5
117.07027	3.8
119.07723	1.2
119.08585	30.8
121.10146	43.8
123.08111	2.4
123.11709	32.0
125.09619	2.9
129.06992	1.8
131.08580	10.3
133.10146	25.4
135.08078	1.5
135.11691	34.3
137.09654	1.9
137.13269	12.2
143.08607	4.2
144.09390	1.9
145.10095	14.8
147.11690	21.3
149.13264	28.9
151.11194	1.9
151.14853	1.3
157.10136	6.4
159.11696	17.1
161.13269	18.8
163.14816	15.4
165.16397	1.7
169.10121	1.4
171.11726	3.8
173.13289	13.0
175.14850	10.5
177.16414	10.6
177.68936	1.4
179.14398	2.1
179.17879	1.7
183.11740	1.8
185.13245	2.8
187.14853	8.5
189.16367	11.5
191.17987	5.4
197.13245	1.3
199.14850	5.0
201.16457	6.5
203.17984	10.6
205.19533	2.6
207.17473	1.5
213.16371	3.8
215.17973	6.5
217.19513	6.6
221.19171	1.3
227.18195	2.1
229.19585	4.6
231.21123	3.8
241.19508	3.2
243.21132	3.9
245.22757	1.4
255.21080	3.7
257.22705	4.0
259.24243	1.5
267.21149	1.6
269.22733	3.2
271.24185	3.1
273.26102	1.4
283.24219	3.8
285.25754	2.4
297.25656	2.0
309.25867	1.6
311.27136	1.6
325.28928	2.5
351.30273	1.3
358.99002	1.2
407.36749	1.7
475.42728	1.4
479.42154	1.3
529.39099	1.5
543.49249	14.5
561.40967	5.8
561.50238	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01862	3.6
55.05518	13.1
57.03437	4.7
61.02924	2.8
61.32963	2.0
67.05510	16.3
69.03419	8.1
69.07073	25.5
69.26669	16.9
70.06570	2.6
71.04973	2.1
75.61968	1.7
79.05495	15.7
81.03415	9.8
81.07073	16.9
83.04999	3.8
83.08620	9.6
85.02904	6.0
87.67854	2.1
91.04989	1.9
91.05471	12.5
93.07056	12.9
95.04963	6.3
95.08611	8.6
97.02875	6.6
97.06548	27.0
97.10179	9.1
105.07049	9.0
107.04963	66.4
107.08593	10.6
109.06499	2.5
109.10136	7.1
111.08137	1.9
117.07021	5.8
119.08585	11.7
121.06536	3.4
121.10166	3.6
123.04445	8.2
123.08038	3.8
125.09649	7.9
127.07587	2.4
131.08557	4.2
133.06506	2.7
133.10124	6.0
137.09619	2.2
143.08565	2.3
145.10175	4.1
147.08055	4.2
147.11655	2.6
149.09613	2.1
157.10109	4.2
166.08760	1.9
177.12778	2.1
189.11227	4.1
193.12257	4.4
219.10190	18.7
223.13321	14.5
227.12781	4.1
249.14807	3.6
267.15805	2.1
273.18457	12.2
285.17014	7.7
290.18311	1.9
291.19571	82.5
307.18936	1.8
320.50684	2.0
340.91031	2.1
347.22250	5.5
365.23245	100.0
454.06696	1.9
518.76392	2.7
527.27838	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	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03700	1.4
53.03942	5.0
53.56510	1.4
55.01879	8.9
55.05514	11.4
57.03437	8.6
57.07081	1.5
60.18794	1.4
61.02924	3.7
67.05508	36.3
69.03423	6.8
69.07069	12.8
69.68476	7.2
69.68904	2.9
70.06575	2.5
71.04982	6.3
79.05500	28.5
81.03416	11.0
81.06597	2.8
81.07059	47.8
83.04978	10.0
83.08617	6.5
84.08124	2.7
84.79950	1.4
85.02894	5.9
85.06539	4.2
86.09682	2.4
91.05489	40.9
93.07056	25.6
93.94607	1.7
95.04974	10.2
95.08593	14.9
97.02911	3.2
97.06526	4.5
98.20850	2.7
99.04457	2.2
103.05444	2.5
105.07030	37.9
106.47459	1.6
107.04969	20.9
107.08605	26.2
109.06514	7.1
109.10165	41.9
111.08074	4.8
117.07021	7.7
119.08587	13.4
121.06506	5.7
121.10138	8.8
123.04382	2.5
123.08035	3.1
123.11701	6.6
125.09621	2.5
127.07619	2.2
129.06996	2.6
129.10237	2.0
131.04965	3.4
131.08591	11.7
133.06520	7.3
133.10139	53.3
135.08026	9.0
135.11708	3.3
137.05884	1.9
137.09636	2.2
143.08562	4.6
145.10110	5.4
147.08040	3.9
147.11688	3.0
149.09645	10.6
151.07570	2.0
151.11172	23.8
157.10077	3.8
159.08078	2.6
160.01784	1.5
161.09598	5.2
161.13284	2.9
169.12265	4.8
171.11702	2.0
175.11147	4.0
177.09082	4.7
179.10622	2.0
185.13210	1.7
193.12231	2.3
215.12686	3.3
221.15843	1.4
226.15129	1.8
245.18973	2.8
251.12755	2.0
253.14371	93.0
255.17447	2.9
255.69882	1.7
257.10626	1.6
263.19971	2.3
267.16141	3.4
269.13840	4.7
271.15350	13.4
273.18509	21.7
291.19522	17.6
347.22278	8.0
365.23248	100.0
382.13205	1.6
444.94760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01881	9.4
55.05524	9.8
57.03431	8.1
61.02933	2.9
67.05506	41.7
69.03425	5.6
69.07059	11.6
69.74306	6.5
69.74721	4.6
71.04985	3.5
73.02879	2.3
75.42334	2.0
79.05489	23.3
81.03439	5.7
81.07057	46.5
83.04983	10.6
83.08624	5.7
85.02895	3.1
85.06557	3.8
89.67574	2.1
91.05489	36.0
93.07039	27.5
95.04985	8.8
95.08599	14.9
97.06509	4.4
98.20834	2.5
99.04444	3.2
105.07033	36.3
107.04949	9.0
107.08593	33.5
109.06522	8.4
109.10161	44.8
111.08081	2.7
117.07013	4.5
119.08598	5.6
121.06498	3.4
121.10133	5.7
123.08049	3.8
123.11700	7.8
125.09698	2.4
127.07611	2.4
129.05513	2.1
129.06941	3.8
131.08563	8.7
133.06461	6.7
133.10139	62.8
135.08038	6.3
135.11703	2.7
137.05920	2.0
137.09601	2.7
139.07455	2.0
143.08572	3.6
145.10130	3.8
147.11700	4.2
149.09619	7.1
151.11177	27.3
161.09572	5.2
169.12213	5.6
173.13254	1.9
177.09154	2.2
179.10786	2.1
179.13835	2.2
189.12732	2.4
215.12720	4.1
245.19017	3.9
253.14372	100.0
255.17451	2.5
263.20032	5.1
269.13785	3.0
271.09601	4.6
271.15460	16.8
273.18481	18.4
285.17093	2.3
291.19525	14.2
347.22171	5.9
365.23242	88.6
383.24661	2.9
404.33530	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	562.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11421	5.0
53.03942	15.7
55.01871	10.8
55.05519	28.0
57.03437	13.6
67.05511	75.1
68.05844	9.2
69.03429	45.5
69.07068	23.9
70.28388	5.4
71.04967	7.6
71.48043	6.1
73.02917	9.5
77.63737	5.4
79.05485	61.6
80.05820	7.7
81.03450	28.7
81.07058	100.0
82.07397	10.8
83.04971	9.8
83.08627	16.5
85.02902	17.0
91.05491	47.8
92.05820	7.5
93.07046	83.4
94.07374	10.7
95.04962	20.6
95.08611	56.7
96.08945	9.7
97.02894	20.1
97.06529	7.9
97.10136	5.5
99.04444	9.0
105.07055	42.3
106.07397	4.8
107.04941	10.1
107.08602	40.2
109.02872	20.3
109.06506	7.2
109.10163	31.0
110.03247	6.5
111.04437	12.5
117.07036	28.7
119.08582	30.2
121.10141	31.5
122.10506	6.2
123.08067	8.0
123.11695	10.8
124.11977	6.2
125.09593	6.5
127.03925	12.2
129.07025	10.3
131.08560	32.0
133.06401	6.9
133.10104	31.0
135.11713	28.5
139.07530	5.8
143.08606	9.0
145.10106	28.6
147.11658	16.9
149.09665	11.1
149.13298	10.7
157.10120	5.8
159.11713	25.6
160.12129	5.0
161.13269	9.6
163.11183	6.0
171.11745	9.2
173.13228	10.8
175.14833	5.9
185.13257	5.3
193.12207	6.9
195.11699	6.4
199.15042	6.5
207.89195	6.1
219.12379	5.5
225.74492	5.6
261.22171	14.6
262.22461	8.4
270.17838	8.2
275.19955	5.9
276.20349	6.8
301.21866	6.8
303.22989	5.4
310.22842	5.8
341.25269	6.4
369.24466	15.9
387.25241	14.4
391.01462	5.7
405.26291	21.6
509.30435	7.0
544.37134	11.8
562.28088	10.7
562.38263	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	562.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	9.7
55.01867	12.7
55.05504	35.6
56.79736	9.2
57.03431	11.3
67.05505	71.4
68.05858	14.7
69.03414	13.9
69.07056	17.7
69.16192	16.0
69.16587	100.0
79.05497	51.4
81.03442	10.8
81.07063	97.7
82.07417	12.8
83.04942	13.2
83.08628	14.9
85.06525	10.3
86.31831	9.9
91.05472	45.7
93.07053	57.2
94.07408	11.1
95.08604	53.0
99.04457	11.9
105.07037	40.9
107.04948	11.8
107.08572	48.6
109.06519	18.1
109.10176	30.7
117.07008	13.0
119.08598	35.2
120.83931	11.2
121.10105	19.3
122.10459	21.1
123.11699	13.7
126.93024	9.7
127.03908	13.0
131.08582	23.9
133.10130	33.6
135.08099	12.2
135.11668	20.8
145.10152	19.6
147.11716	24.8
149.13232	16.0
153.42795	9.5
157.10130	12.8
159.11678	14.8
169.10086	11.6
171.11714	13.0
185.09770	11.7
199.42043	10.3
275.19833	11.3
291.68411	11.0
313.65472	10.4
373.94772	10.3
395.25745	13.7
413.26877	88.5
544.37097	29.5
550.84064	11.2
562.26501	15.4
562.38568	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	563.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
52.22850	0.3
53.03946	0.8
57.03423	0.8
61.02936	0.6
61.62076	0.3
69.03431	10.1
69.39586	1.1
69.40017	1.4
71.75302	0.3
73.02921	0.4
75.58395	0.4
77.03899	0.4
77.98956	0.3
78.03452	0.5
81.03405	1.2
85.02907	6.4
86.09700	0.5
87.04462	0.6
95.04973	0.7
97.02892	5.8
103.05469	23.5
105.04546	0.4
107.04962	3.8
109.02878	0.6
111.52219	0.3
115.03924	1.3
121.10170	0.4
121.44307	0.4
122.02414	2.0
123.04424	1.0
123.89819	0.3
127.03938	0.9
131.04929	100.0
137.06032	0.4
139.05023	12.6
140.03432	10.0
149.06006	4.3
160.46265	0.3
223.46924	0.3
240.19968	0.4
257.79688	0.3
263.09152	66.1
264.09592	0.5
267.08801	0.5
320.73215	0.3
425.14365	1.1
461.97531	0.3
555.47656	0.4
563.33838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.95660	0.4
52.01836	0.3
53.03944	1.4
57.03426	0.8
61.02928	0.8
62.95833	0.4
69.03432	8.8
69.07072	0.5
69.17394	0.3
70.02960	0.4
70.06591	2.9
72.08148	0.5
73.02915	0.6
77.03917	0.7
78.03435	0.5
79.05458	0.5
81.03400	0.9
84.08130	0.7
85.02908	4.7
86.09708	2.1
87.04450	0.7
88.03992	0.9
91.05462	0.5
93.07067	0.3
94.06555	1.1
95.04981	1.0
97.02892	4.4
98.79018	0.3
103.05471	29.0
103.87498	0.4
104.03481	0.5
107.04960	18.4
109.02895	0.5
115.03928	1.4
119.08587	0.4
120.08095	1.8
122.02415	2.0
127.03931	0.6
129.10234	0.5
131.04932	100.0
132.05284	0.5
133.10156	0.4
139.05028	14.3
140.03429	10.8
143.82800	0.4
146.06003	2.2
147.04584	0.3
149.06003	2.9
156.02904	0.4
174.04097	0.6
174.05568	1.4
202.03503	0.8
241.60603	0.3
263.09152	53.9
277.08273	0.7
293.10223	0.5
295.09210	2.7
563.33832	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	563.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
53.03947	1.5
55.01870	0.6
55.05487	0.4
57.03440	0.3
58.74442	0.2
60.04528	0.3
67.05489	0.5
69.03432	0.6
69.82625	0.4
69.83014	1.3
70.02975	1.4
70.06567	0.5
74.02444	0.5
77.03938	0.4
79.05474	1.3
81.03416	0.7
81.07051	0.9
85.02891	1.0
86.02398	0.3
86.09701	0.7
88.03993	7.7
91.05481	0.9
93.07059	0.6
94.06569	9.8
95.04982	1.4
95.08571	0.4
97.02921	0.3
99.00808	0.7
103.05457	0.8
104.03462	3.1
105.04513	0.6
105.07013	0.7
107.04956	100.0
107.55872	0.3
108.05287	1.1
109.02886	0.3
109.10117	0.3
116.03484	0.6
118.06526	0.3
118.29845	0.3
119.08603	0.3
120.04465	1.4
121.06488	0.3
121.10120	0.3
123.04419	0.3
127.03955	0.3
130.04976	0.5
131.04935	2.4
131.08572	0.2
132.04462	0.8
133.10133	0.5
133.42780	0.2
136.07590	0.3
146.06006	17.9
150.05507	0.7
151.03810	0.2
156.02939	1.2
158.04478	0.5
158.36806	0.3
161.05959	0.4
163.08678	0.4
174.03995	2.8
174.05533	8.4
176.45549	0.3
181.04918	0.5
189.67201	0.2
192.06583	1.7
200.10730	0.3
202.03477	4.4
233.09276	0.4
246.17416	0.3
277.08176	4.3
295.09259	17.4
296.09579	0.4
367.11761	0.6
383.26227	0.3
401.11349	0.3
563.23859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64007	0.3
53.03946	2.4
57.03437	1.4
69.03428	5.2
70.10628	1.7
71.01346	0.4
71.05006	0.8
73.02909	3.2
77.03899	0.6
79.05482	1.3
81.03416	2.2
81.91205	0.3
85.02910	17.0
85.06547	0.9
87.04469	1.1
87.62769	0.4
91.05479	1.2
93.07053	0.7
95.04969	12.6
97.02894	1.7
99.04458	1.4
105.04527	1.2
105.07088	0.4
107.04958	100.0
108.05289	0.8
121.02872	1.0
121.06515	0.7
123.04431	45.9
127.03921	2.5
129.06938	0.4
131.04881	0.7
133.06470	0.4
141.06880	0.4
145.05002	0.8
145.06514	0.7
147.04408	0.8
149.06007	1.5
155.08569	0.6
157.06351	0.4
161.06006	0.6
163.07567	0.7
165.07010	0.6
176.04311	0.4
183.08113	1.0
187.07460	0.4
191.07133	0.7
203.07030	1.1
211.07555	7.4
215.07103	0.5
216.07098	0.3
217.40587	0.4
221.08122	0.4
229.08653	0.5
233.08058	0.5
243.56519	0.4
251.09146	8.2
252.09109	0.4
267.08640	16.3
329.41266	0.4
371.86615	0.5
373.12839	7.8
374.53259	0.4
401.15912	5.2
419.25153	0.4
449.19489	0.4
563.21313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	1.7
55.01876	0.4
55.05512	2.5
57.03442	0.4
57.07073	0.8
65.03947	0.4
67.05144	0.5
67.05505	7.5
68.05831	1.4
69.03409	0.3
69.07073	2.2
69.57454	2.1
70.07396	0.4
71.04996	3.9
71.08633	0.6
72.05325	0.7
72.41882	0.3
79.05496	6.2
80.05846	1.7
81.03412	0.6
81.06592	0.5
81.07061	9.3
82.07388	2.5
83.04979	1.0
83.08609	0.9
85.06555	0.8
91.05488	5.0
92.05820	1.4
93.07051	5.2
94.07399	1.8
95.04970	2.0
95.08611	5.1
96.08946	0.6
97.06520	1.2
98.20860	0.4
99.08092	0.4
105.07030	2.5
106.07380	0.9
107.04961	100.0
107.08594	3.3
108.05289	0.7
108.08955	0.6
109.06538	0.5
109.10172	1.3
110.10542	0.5
111.08072	0.5
117.07047	0.6
119.08583	1.5
120.08963	0.5
121.10131	1.9
122.10476	0.7
123.11734	1.2
124.12041	0.6
131.08588	1.2
132.08922	0.6
133.06511	2.3
133.10159	2.0
134.10481	0.9
135.11707	1.8
136.12045	0.5
145.10124	0.9
147.08040	1.7
147.11723	0.6
149.13254	1.4
150.13635	0.5
151.05724	0.3
151.11162	0.5
159.11745	1.0
160.12045	0.4
161.09656	0.3
161.13239	0.8
162.13580	0.5
167.14323	0.7
171.11769	0.3
173.09656	0.5
173.13364	0.5
177.12674	0.5
178.13129	0.3
179.14301	2.4
183.13795	0.6
184.14192	0.5
195.13837	0.4
244.21541	0.3
249.48851	0.3
269.17526	0.7
273.18533	2.0
277.21646	1.3
280.57034	0.3
332.54791	0.3
333.27994	0.6
349.27380	0.4
351.25452	0.3
351.29099	2.5
371.43622	0.3
455.31985	0.5
457.33173	16.7
519.39276	1.9
531.39313	1.8
532.07281	0.3
545.38452	1.4
563.42682	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	563.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03947	1.6
55.01864	0.3
55.05502	0.9
55.77932	0.2
57.04451	0.2
57.07076	0.3
57.77167	0.2
65.14249	0.2
66.36558	0.2
67.05509	2.6
68.05861	0.2
69.07069	1.0
71.04979	0.5
71.22594	0.3
71.22929	0.2
77.03923	0.5
79.05493	2.9
81.03411	0.3
81.07053	2.7
83.04987	0.3
83.08595	0.6
88.92082	0.2
91.05472	1.2
93.07045	1.9
95.04966	1.5
95.08604	2.0
97.06538	0.4
105.04533	0.8
105.07033	0.9
107.04959	100.0
107.08582	1.3
108.05274	0.6
109.06505	0.3
109.10157	0.7
111.08117	0.2
117.07030	0.2
119.08585	0.9
121.06475	0.3
121.10132	0.7
123.08057	0.5
123.11729	0.3
129.07008	0.2
131.08591	0.6
131.17288	0.2
133.10133	0.7
135.11723	0.5
145.10213	0.3
147.11697	0.4
149.09575	0.3
149.13232	0.5
161.13266	0.5
163.14839	0.3
169.10181	0.2
173.96112	0.2
177.12717	1.2
179.14342	0.4
183.13829	0.2
281.21078	0.5
285.63806	0.2
295.22784	0.3
333.27945	0.5
349.27344	0.3
351.28937	2.4
455.31470	0.8
457.33154	15.8
458.33679	0.3
531.39746	0.8
545.38007	0.4
563.37543	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
53.89341	2.7
55.01860	9.8
55.05511	39.5
56.69856	2.7
57.03448	14.5
57.07074	6.1
65.03942	4.9
67.05506	95.7
69.03427	3.8
69.07072	35.1
69.82706	9.3
69.83115	6.2
71.04978	11.0
71.08617	3.1
73.02937	3.2
74.18851	2.5
74.70300	2.8
79.05492	63.0
81.03435	19.2
81.06595	5.7
81.07062	100.0
81.07535	6.8
83.04988	12.6
83.08611	19.1
84.41915	2.6
85.06522	6.0
91.05491	57.4
93.07046	71.2
95.04963	11.5
95.08607	70.0
97.06550	15.7
97.10181	18.4
98.20773	3.0
99.08081	3.5
105.07034	58.4
107.04910	6.9
107.08598	48.7
109.06509	6.2
109.10155	31.0
111.08081	5.9
117.06995	17.6
119.08592	45.5
121.10152	43.5
123.08066	6.8
123.11710	10.3
125.05969	2.8
125.09626	11.4
128.06195	2.8
129.06978	9.7
131.08571	34.5
133.10123	36.2
135.08035	4.6
135.11714	14.3
137.13260	4.6
139.11194	9.5
143.08594	13.6
145.10132	30.3
147.11694	22.0
149.09627	6.5
149.13258	11.8
155.08546	6.0
157.10182	16.0
159.11694	20.2
161.13214	11.1
163.11166	7.9
163.14819	4.3
165.12721	4.2
169.10210	7.2
171.11702	11.1
173.11829	3.8
173.13232	14.1
175.14812	2.9
177.12601	3.4
181.10121	4.5
181.12209	3.6
183.11696	6.2
185.13248	9.5
187.14798	6.9
189.11217	10.8
193.12244	5.2
195.11696	3.6
195.13719	3.7
197.13239	6.4
199.14821	5.8
203.12743	3.3
211.14905	3.8
213.16446	3.5
227.12784	7.5
229.14272	5.1
239.16302	3.9
241.14188	4.2
259.15155	3.7
259.20456	3.8
261.22131	8.1
263.23636	2.8
267.15915	13.1
269.17401	3.1
279.22952	5.2
285.22153	5.1
287.23660	7.7
289.21625	10.8
299.23514	3.7
301.25287	7.3
303.23108	3.9
317.24759	5.7
333.24231	4.4
335.25818	12.0
363.25479	4.2
435.32434	9.9
453.33636	16.6
471.34796	16.5
527.37177	36.0
545.38342	55.8
563.38013	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	564.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.1
51.02369	0.3
52.03178	0.1
53.03949	0.8
55.01861	0.2
57.07062	0.2
58.75891	0.1
61.02924	0.3
63.49633	0.1
65.71053	0.1
69.03422	0.1
70.06577	0.3
71.48313	0.1
72.08156	0.3
77.03936	0.5
79.05496	1.2
81.03408	0.1
85.02903	0.2
85.06547	0.7
86.09705	0.6
87.67010	0.1
95.04971	0.9
105.04523	0.5
107.04960	100.0
108.05293	0.6
109.55292	0.1
120.08168	0.2
123.04452	0.2
123.38107	0.1
145.08612	0.5
171.25682	0.1
187.07295	0.2
215.09193	0.2
247.08255	0.1
260.74603	0.1
261.09677	0.1
279.11072	0.1
425.62271	0.1
492.13330	0.1
532.27826	0.2
551.41418	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	564.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01870	0.6
55.05505	0.5
57.07060	0.3
61.02924	0.9
67.05495	0.7
69.03426	0.5
70.06595	6.3
71.04993	1.8
71.47720	0.3
72.08159	0.6
73.02928	0.5
77.03925	0.4
79.05487	1.7
80.05014	0.6
81.03420	0.5
81.07042	0.5
82.06586	0.5
84.08141	0.7
85.02906	1.4
85.06560	0.7
86.09714	1.1
91.03973	0.4
91.05478	0.4
93.07042	0.6
95.04969	1.0
95.08598	0.3
96.08085	0.3
97.02890	0.4
98.06042	0.3
105.04526	0.6
105.07053	0.4
107.04961	100.0
108.05322	0.6
108.08100	0.3
109.10182	0.6
119.08605	0.3
120.08060	0.5
121.10152	0.3
126.05531	0.4
129.10257	0.3
131.03419	0.3
131.04945	0.5
131.08586	0.3
136.07603	0.4
138.05492	0.3
149.06097	0.3
157.02011	0.2
183.10233	0.5
187.14787	0.4
188.14397	0.2
201.11230	0.3
206.15457	0.4
216.13875	0.4
234.14848	1.6
236.16495	0.5
252.15950	1.6
254.17552	0.8
261.09863	0.5
261.66116	0.3
326.19571	4.1
326.23065	0.3
328.10742	0.2
328.21179	2.8
344.20734	2.6
370.22357	0.7
385.14511	0.6
402.24844	0.7
488.24771	1.8
490.26529	0.3
532.27594	6.9
563.34003	0.5
564.28766	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40875	6.7
53.03933	8.9
55.01865	11.8
55.05506	16.7
57.03432	23.0
67.05504	73.3
68.46820	6.2
69.03430	10.8
69.07058	22.6
70.53766	14.9
71.29748	5.9
79.05493	44.3
79.05894	8.1
81.03413	10.1
81.07064	82.2
83.04969	13.4
83.08605	13.9
85.02891	7.9
91.05471	34.5
93.07034	58.2
95.08602	27.6
97.06523	22.0
105.07033	26.5
107.04955	16.9
107.08614	42.9
109.10170	13.3
111.08064	7.4
117.07036	20.2
119.08567	25.0
121.06484	9.8
121.10155	12.5
125.09656	8.2
131.08578	16.2
133.10136	27.3
135.11699	26.7
145.10147	19.4
147.11713	9.7
149.09593	8.6
149.13249	28.1
159.11714	38.3
163.11171	7.4
171.11652	6.1
173.13277	9.1
177.12766	20.2
179.14369	9.2
195.13773	16.3
220.66669	5.6
253.99947	6.3
255.15916	59.1
269.17490	100.0
275.20053	41.1
287.16675	6.4
293.20813	8.2
349.23724	78.6
367.24786	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
55.05511	12.2
57.03439	18.7
62.12043	5.7
67.05508	34.6
69.07059	17.5
69.19832	57.0
79.05498	38.7
81.07066	43.3
85.02895	11.3
91.05497	55.0
91.22120	5.0
93.07050	43.1
95.04970	10.0
95.08599	29.0
97.02901	8.1
97.06538	8.6
98.21523	13.4
105.07052	49.0
107.04954	17.6
107.08600	27.0
109.06540	6.3
109.10169	9.6
117.07025	21.4
117.07772	5.1
119.08611	44.7
121.10184	9.5
122.17809	5.4
129.07014	14.4
131.08545	35.5
133.10165	30.1
135.11690	10.5
143.08574	17.0
145.10123	34.3
147.11699	17.6
149.09630	6.9
155.08542	6.3
157.10139	15.9
159.11711	34.3
161.09698	9.6
161.13300	13.2
169.10110	11.1
171.11665	7.1
173.13254	21.4
175.11174	6.1
175.14874	8.2
183.11598	6.6
185.13274	21.5
201.16359	5.8
203.14294	9.3
239.17924	20.5
257.19028	34.4
269.97455	5.7
275.20047	39.5
349.23764	100.0
498.10855	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38393	2.1
55.01852	2.4
55.05502	9.9
57.03434	5.3
60.28238	2.2
61.02927	2.8
67.05502	17.0
69.07062	10.3
69.25706	21.1
79.05499	19.0
81.03416	3.2
81.07063	59.6
83.04974	4.7
83.08620	9.7
91.05478	14.4
91.97422	2.4
93.07049	13.9
93.21944	2.6
95.04974	5.0
95.08598	11.6
97.06525	6.7
98.20795	4.0
99.08073	3.1
105.07036	16.3
107.04977	5.2
107.08604	9.5
109.06539	19.6
109.10148	5.8
117.07068	3.7
119.08581	9.7
121.06487	3.4
121.10155	7.6
122.92112	2.7
123.08107	3.5
123.11692	2.7
131.08588	4.8
133.10185	11.4
135.08069	4.3
135.11662	4.2
137.09615	2.4
145.10124	6.0
147.11711	10.6
149.09648	4.8
149.13245	4.6
151.90793	2.3
159.11676	5.3
163.11087	3.6
165.12700	3.2
169.10036	2.3
173.13257	4.1
193.12317	2.5
275.20105	29.2
293.21082	7.3
349.23764	64.4
367.24814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88018	5.9
53.03949	14.4
55.01880	13.0
55.05505	24.1
57.03429	27.7
61.02927	15.9
61.59866	5.8
67.05502	81.0
69.03423	12.4
69.07066	43.1
69.80189	32.6
70.06581	10.9
71.08614	19.6
73.02901	9.4
73.65030	6.7
79.05494	89.5
81.03409	14.4
81.07061	86.5
83.05008	11.5
83.08625	19.9
85.02916	20.6
85.06534	8.7
91.03949	13.2
91.05483	79.9
93.07040	100.0
95.04987	21.5
95.08625	47.4
97.06497	8.9
98.21527	9.5
99.08112	11.5
105.07037	77.2
107.04950	22.3
107.08595	62.3
109.06519	18.1
109.10168	20.2
111.04491	7.3
111.08138	8.3
117.07022	21.7
119.08596	53.3
121.06473	13.6
121.10134	37.8
123.11689	7.4
127.03867	10.3
129.05511	8.8
129.07054	9.2
129.40572	6.2
131.04922	11.0
131.08557	22.3
133.10124	43.5
135.11693	29.8
137.05974	9.5
141.74055	7.1
143.08519	9.8
145.02870	8.6
145.10132	31.0
147.11644	31.9
149.09607	9.9
149.13240	15.9
151.11177	11.3
157.10071	11.9
159.11717	35.7
161.13284	22.1
163.14833	8.1
171.11700	15.9
173.13280	10.3
177.00648	8.2
177.12698	12.7
185.13298	7.6
193.12244	9.9
199.14774	10.2
203.10443	6.8
241.19612	8.4
255.15834	9.8
257.19098	8.9
258.18652	7.5
259.20590	43.4
269.17465	22.7
275.20053	24.6
293.21097	79.6
309.20630	17.1
312.98840	7.3
349.23712	11.7
351.25320	39.5
367.24826	89.6
369.41940	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.05516	31.9
57.03426	16.5
61.02922	16.0
61.97505	5.1
66.94231	5.4
67.05507	78.1
69.03424	9.1
69.07071	27.1
71.05000	6.9
71.47845	9.8
71.48211	6.5
79.05498	75.3
81.03427	12.6
81.07061	69.7
83.04981	10.0
83.08613	13.7
85.02907	15.2
91.03939	10.7
91.05481	76.0
93.07045	100.0
95.04948	8.6
95.08615	43.3
97.02877	12.3
97.06561	6.1
103.05431	5.8
105.07044	59.4
107.04953	17.1
107.08575	39.9
109.06512	5.3
109.10165	41.7
117.07017	20.9
119.08585	42.8
120.08207	5.7
121.06513	6.3
121.10145	38.0
123.11696	9.3
125.09652	7.0
129.05476	5.8
129.06976	13.3
131.08583	26.2
133.10133	53.2
135.11700	35.3
136.56577	5.0
137.05922	6.1
143.08578	12.9
145.10132	19.8
147.11700	34.7
149.09641	8.5
149.13272	14.3
151.14368	5.2
155.10622	6.3
157.10141	12.3
159.11684	34.3
161.09734	7.0
161.13260	17.6
163.11241	5.6
171.11696	8.8
173.11781	13.7
173.13136	9.2
175.14772	5.8
185.13196	7.1
187.14731	7.9
189.16422	6.2
199.14848	8.1
229.14294	44.6
241.19543	22.4
259.20578	42.2
264.47412	5.5
269.17560	16.4
273.83719	7.4
275.19995	6.8
339.09512	6.2
351.25235	54.0
404.06970	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	564.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01867	0.9
55.05503	3.1
56.31380	0.6
57.03424	0.8
67.05511	5.1
69.03436	2.8
69.07070	2.4
69.46494	3.5
69.46908	1.3
79.05498	6.0
81.03428	4.8
81.07059	6.1
83.04971	0.8
85.02919	1.5
90.55997	0.7
91.05486	4.3
93.07047	4.7
95.04974	2.1
95.08609	5.9
97.02901	2.1
98.21445	1.5
99.04471	0.9
105.04513	0.9
105.07030	2.8
107.04961	100.0
107.08598	3.0
109.02885	1.5
109.10179	2.7
116.69209	0.7
117.07078	1.2
119.08581	2.0
121.10156	2.4
127.03933	2.0
129.06989	0.8
131.04910	1.2
131.08597	3.2
133.06523	1.4
133.10126	1.8
135.07997	0.7
135.11728	1.7
145.06483	2.8
145.10127	1.9
147.08083	1.0
147.11694	1.0
157.06516	3.6
157.10158	1.2
159.08110	1.1
159.11725	1.0
161.09645	1.0
169.06494	0.9
171.08096	1.5
171.11742	1.0
173.09686	1.2
173.13312	0.9
183.08095	2.1
185.09660	1.5
187.11154	0.9
189.12718	0.8
195.08182	1.3
197.05899	1.0
197.09676	1.0
197.13426	0.8
199.11192	2.0
199.14969	0.9
209.09619	0.8
225.12769	0.8
256.27216	0.8
259.20645	0.8
367.26376	2.3
387.25250	0.8
391.26495	1.3
433.27258	1.3
475.28616	0.9
546.38934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.8
57.03442	17.7
57.07080	7.1
63.91953	5.6
65.03944	5.4
67.05506	91.7
68.78307	5.5
69.07069	26.6
69.49305	9.2
69.49719	27.9
71.04974	11.6
79.05497	62.9
81.07061	100.0
83.04963	7.2
83.08620	14.4
83.64969	5.2
85.06558	6.8
91.05492	33.4
93.07048	82.2
95.08618	42.3
96.71563	5.2
97.06527	12.5
98.21481	8.2
105.07037	10.8
107.08599	40.1
109.06535	5.2
109.10178	14.5
111.08052	5.5
117.07006	10.7
119.08589	12.1
121.10159	35.1
123.11706	6.9
131.08565	13.2
133.10132	18.5
135.11699	12.7
137.09796	6.2
140.08163	5.6
147.11703	6.8
149.13283	35.1
159.11688	22.3
177.12785	21.7
195.13828	13.4
219.13821	6.8
228.81255	5.4
261.22198	9.0
269.17465	99.4
321.32230	5.5
335.25833	62.0
529.38953	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03054	1.6
51.84194	1.5
53.03933	3.5
55.05504	7.3
57.07066	6.7
57.99643	1.6
59.05006	2.1
59.40979	1.6
65.03906	1.6
67.05511	17.3
69.03410	3.1
69.07075	13.0
69.72160	10.1
70.93934	1.5
72.19887	1.5
79.05494	17.0
81.07058	22.2
83.04963	3.1
83.08619	4.6
83.71542	1.6
85.06524	2.3
91.05485	27.3
93.07041	33.3
93.07574	3.0
95.04975	7.4
95.08602	18.8
97.06544	3.9
98.20731	2.1
100.43116	1.6
103.05445	4.0
105.07032	43.8
105.07703	3.4
107.04958	22.4
107.08607	27.8
109.06481	4.8
109.10162	13.4
111.08089	1.9
115.05461	3.5
117.07018	10.5
119.08587	48.2
121.06529	4.2
121.10139	36.9
121.10945	3.1
123.08057	7.0
123.11721	5.6
128.06245	6.7
129.07056	9.7
130.07793	4.8
131.08563	23.5
133.10132	29.7
135.08054	5.1
135.11699	10.3
137.09605	5.2
139.07634	1.8
141.06989	5.4
142.07777	16.6
143.08556	23.7
144.09360	3.5
145.10135	33.8
147.08081	7.7
147.11688	10.4
149.09654	6.4
149.13303	2.2
151.07538	3.3
153.07042	2.8
155.08595	9.6
155.10648	2.5
156.09338	11.3
157.10127	33.4
158.10963	5.3
159.08130	3.0
159.11690	18.8
161.09631	1.9
161.13264	5.5
163.11162	2.5
165.07010	5.2
165.09138	8.3
167.08586	6.4
167.10674	11.5
168.09381	4.3
169.10127	20.7
170.10930	5.9
171.11703	18.7
172.12524	2.8
173.13283	16.8
175.11198	2.1
175.14847	5.5
179.08585	12.1
179.10074	2.5
180.09344	3.5
181.10130	11.5
181.12181	2.4
182.10930	6.0
183.11693	17.7
185.13254	17.5
187.14853	6.9
189.12776	4.2
192.09351	3.0
193.10219	10.8
194.10934	6.5
195.11707	17.3
196.12498	5.4
197.13263	14.5
199.14815	10.1
201.16454	4.7
203.14320	4.0
204.09268	2.2
205.10150	4.0
206.10783	7.8
207.11766	11.6
207.13568	2.2
208.12483	6.5
208.19110	1.9
209.13229	18.3
211.14777	9.4
213.12753	1.9
213.16364	4.2
215.14363	2.1
217.10107	1.9
218.10893	2.8
219.11826	7.8
220.12517	4.6
221.13293	12.6
221.15411	17.0
222.14041	4.3
223.14787	8.8
223.80641	1.9
224.15585	2.7
225.16399	5.3
229.15926	2.1
230.11005	2.6
231.11629	4.6
232.12643	3.6
233.13286	6.4
233.15373	5.2
234.14093	2.9
235.14825	10.2
236.15599	1.8
237.16420	7.5
239.17982	4.5
243.11737	2.7
244.12616	2.3
245.13315	5.3
246.14168	3.4
247.14835	7.2
249.16470	5.6
250.17365	2.5
251.17953	5.9
253.19641	3.4
255.17284	1.8
256.12479	2.1
257.13205	3.2
259.14865	6.4
260.15604	3.6
261.16400	5.5
263.18039	7.0
265.19559	6.3
267.21237	2.2
269.18887	1.9
270.14001	3.2
271.14853	2.3
273.16345	4.0
274.17212	2.1
275.17990	4.6
277.19543	5.6
281.19302	2.1
283.20581	2.1
285.16193	2.7
289.19598	4.2
295.20438	2.2
299.17905	3.3
301.19470	3.3
307.20615	4.0
315.21213	2.6
317.22739	2.5
319.24338	2.1
331.24307	4.1
343.24274	4.3
345.25885	1.8
347.23959	2.9
357.25897	5.3
365.24783	3.8
412.27774	2.4
473.34229	6.0
485.33725	2.3
509.34412	1.7
539.31842	2.0
547.39368	16.9
565.40405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
54.86516	1.9
55.05512	14.6
57.07076	11.2
57.27558	2.0
59.05016	2.3
59.93858	2.2
65.03940	3.3
67.05499	27.9
69.03416	5.3
69.07066	15.6
69.52287	3.6
69.52675	14.3
71.04987	2.0
71.08614	2.8
74.47041	1.9
76.41395	1.8
79.05488	23.9
79.92381	2.4
81.03419	3.2
81.07053	37.5
83.04958	5.2
83.08620	7.4
85.06543	3.0
91.05477	36.6
93.07045	41.9
95.04974	9.6
95.08608	34.0
97.06528	3.4
98.21500	3.6
103.05456	5.1
103.72906	2.1
105.07029	73.1
107.08585	34.0
109.06530	7.0
109.10166	18.5
111.08105	4.0
115.05417	2.8
117.06995	14.1
117.67516	2.0
119.08580	65.6
121.06487	2.7
121.10138	44.4
121.10944	3.7
123.08101	9.3
123.11709	8.4
125.09688	2.8
125.46948	2.2
128.06218	10.3
129.07019	13.5
130.07785	6.3
131.08578	24.3
132.35304	2.0
133.10120	36.4
135.08063	4.2
135.11685	13.9
137.09584	4.9
141.07005	6.1
142.07787	15.1
143.08566	29.7
144.09384	4.8
145.10118	41.7
145.11166	4.1
147.08041	12.8
147.11682	14.7
149.09674	4.1
149.13199	2.4
151.07533	7.1
153.07042	4.0
154.07765	3.5
155.08563	12.3
156.09335	10.8
157.10126	35.9
158.10887	8.1
159.08014	3.7
159.11697	23.8
161.09680	2.9
161.13243	4.9
163.11171	6.2
165.07071	5.3
165.09093	14.5
166.07823	2.5
167.08595	9.5
167.10696	6.3
168.09343	5.0
169.10112	22.8
170.10945	7.5
171.11679	23.1
173.13266	22.4
175.11182	4.1
175.14830	5.9
179.08510	11.5
180.09325	3.8
181.10057	10.7
181.12314	4.0
182.10928	6.7
183.11676	16.0
184.12468	3.5
185.13211	14.2
187.14886	8.0
189.12791	3.1
192.09406	5.8
193.10112	11.6
194.10881	11.5
195.11720	20.2
196.12543	4.7
197.13255	19.0
199.14847	10.5
201.16483	4.0
203.14311	6.1
205.10100	3.8
206.11023	5.1
207.11739	13.7
207.13663	4.2
208.12579	4.6
209.13286	18.2
210.13867	3.6
211.14828	7.1
213.12764	3.6
213.16324	4.0
215.14418	2.4
217.10176	3.4
217.15910	3.1
218.10892	2.5
219.11780	7.8
220.12524	4.7
221.13281	14.1
221.15430	27.1
222.14041	2.7
223.14804	10.1
225.16397	5.2
231.11682	5.9
233.13249	9.1
233.15311	4.3
234.14053	4.0
235.11340	2.4
235.14841	9.8
237.16383	7.6
239.17979	4.7
244.12599	5.4
245.13394	6.7
246.14063	3.8
247.14764	6.5
247.17081	2.7
249.16461	6.0
251.18030	5.4
253.19572	6.0
257.13293	4.7
259.14883	5.8
260.15753	2.7
261.16495	6.3
263.18042	7.6
265.17004	2.1
265.19644	6.6
269.13284	3.0
271.14603	3.8
273.16312	4.4
274.17032	2.7
275.17963	6.7
277.19684	5.2
282.27872	4.8
283.20618	2.6
287.17770	4.2
289.19571	3.8
301.19574	4.4
307.20627	2.7
310.30920	5.6
316.00839	2.4
331.24252	6.4
357.25769	3.6
385.29059	2.9
407.28888	3.0
443.29803	2.3
473.34076	14.7
509.34253	4.0
529.38898	5.6
547.39258	17.3
565.40436	100.0
566.40698	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	566.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02381	0.3
52.45003	0.1
53.03943	0.9
53.95441	0.1
54.96221	0.1
55.01849	0.2
70.06612	0.3
70.86530	0.3
77.03922	0.4
79.05491	1.3
91.05489	0.4
95.04960	0.9
105.04522	0.6
107.04958	100.0
108.05309	0.7
119.04939	1.5
121.02860	1.8
131.04935	0.2
147.04417	6.5
159.04453	0.7
164.07089	0.2
225.09097	0.6
226.32085	0.1
253.08719	0.3
294.06009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.05511	15.0
57.03431	17.5
60.76548	4.3
61.02923	5.2
67.05509	37.3
69.03435	7.6
69.07070	14.5
70.06580	7.5
70.46807	4.6
71.04997	5.6
71.08643	8.3
71.48959	8.1
79.05501	29.5
81.03419	14.2
81.07062	60.6
83.04995	9.5
83.08614	13.5
85.02905	8.6
85.06541	6.6
86.09727	8.0
91.05479	19.0
93.07061	41.0
95.04975	7.6
95.08606	19.0
97.02912	11.6
97.06553	9.5
99.08099	8.2
101.85824	4.4
104.51064	5.1
105.07026	13.5
107.04952	25.2
107.08615	21.0
109.02895	4.6
109.06553	4.5
109.10175	10.0
117.03348	5.1
117.07045	10.0
119.08647	11.6
120.06328	4.7
120.08114	5.0
121.10175	16.9
127.03890	5.3
131.08582	10.1
133.10164	14.7
135.11777	6.0
137.05994	17.5
147.11673	4.7
147.87421	4.3
149.13307	24.5
151.11208	12.3
159.11737	24.0
161.13304	11.5
176.69357	6.0
177.05386	5.0
177.12738	17.1
179.14349	9.3
187.07591	4.4
195.13872	11.7
207.64168	5.1
269.17496	100.0
277.21808	13.1
295.22665	12.1
310.66495	4.6
351.25372	24.6
369.26312	6.0
399.47720	4.6
401.13611	5.0
405.06473	5.2
407.55371	5.4
549.26550	9.3
567.27637	59.1
589.73633	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	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40818	2.4
51.91319	2.2
55.01871	11.3
55.05516	12.4
57.03437	3.8
57.07066	2.4
61.02908	3.7
65.57698	2.2
67.05515	16.8
69.03423	5.2
69.07065	8.7
69.92583	2.1
71.08624	6.7
71.49117	3.8
79.05505	14.8
81.03408	3.7
81.07069	24.1
83.05003	3.7
83.08601	9.5
84.08121	2.6
85.02922	4.2
85.06557	3.8
85.10170	3.5
86.09772	2.5
91.05476	15.3
93.07047	18.0
95.04967	5.4
95.08630	18.1
97.02868	3.6
97.06522	5.2
99.08130	5.4
103.05444	4.6
105.05759	2.0
105.07022	10.1
107.04967	11.2
107.08601	10.2
109.06552	3.0
109.10146	7.4
111.08101	16.3
113.09631	7.2
117.07011	3.2
119.08588	8.9
121.06492	3.4
121.10143	8.4
123.08097	2.1
123.11688	3.7
125.09574	3.2
127.03928	4.2
129.06975	3.7
131.04898	9.1
133.10126	9.0
135.11688	6.5
137.06044	3.5
139.11186	2.9
145.10153	3.2
147.04369	4.3
147.11667	11.2
149.09605	4.0
149.13286	5.2
151.11223	5.7
159.11665	2.6
161.13254	3.2
163.06213	2.8
163.11217	2.7
165.12689	13.7
179.14308	2.1
185.13359	3.1
194.08252	2.6
249.22089	2.2
277.21655	31.3
287.16403	2.2
295.22644	9.8
297.01776	2.5
351.21161	4.1
351.25305	60.6
369.26370	100.0
405.06003	3.1
531.31482	3.3
567.27594	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.05511	15.0
57.03431	17.5
60.76548	4.3
61.02923	5.2
67.05509	37.3
69.03435	7.6
69.07070	14.5
70.06580	7.5
70.46807	4.6
71.04997	5.6
71.08643	8.3
71.48959	8.1
79.05501	29.5
81.03419	14.2
81.07062	60.6
83.04995	9.5
83.08614	13.5
85.02905	8.6
85.06541	6.6
86.09727	8.0
91.05479	19.0
93.07061	41.0
95.04975	7.6
95.08606	19.0
97.02912	11.6
97.06553	9.5
99.08099	8.2
101.85824	4.4
104.51064	5.1
105.07026	13.5
107.04952	25.2
107.08615	21.0
109.02895	4.6
109.06553	4.5
109.10175	10.0
117.03348	5.1
117.07045	10.0
119.08647	11.6
120.06328	4.7
120.08114	5.0
121.10175	16.9
127.03890	5.3
131.08582	10.1
133.10164	14.7
135.11777	6.0
137.05994	17.5
147.11673	4.7
147.87421	4.3
149.13307	24.5
151.11208	12.3
159.11737	24.0
161.13304	11.5
176.69357	6.0
177.05386	5.0
177.12738	17.1
179.14349	9.3
187.07591	4.4
195.13872	11.7
207.64168	5.1
269.17496	100.0
277.21808	13.1
295.22665	12.1
310.66495	4.6
351.25372	24.6
369.26312	6.0
399.47720	4.6
401.13611	5.0
405.06473	5.2
407.55371	5.4
549.26550	9.3
567.27637	59.1
589.73633	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	566.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
53.03944	1.0
55.01859	0.2
55.05503	0.5
67.05507	0.7
69.07064	0.6
77.01797	0.2
77.03918	0.4
79.05485	1.2
80.05825	0.2
81.03432	0.3
81.07056	0.8
83.04989	0.2
91.05473	0.9
91.58681	0.2
92.05864	0.3
93.07043	1.0
94.07375	0.3
95.04977	1.3
95.08608	0.8
96.08917	0.2
105.04523	0.8
105.07044	1.8
105.18538	0.2
106.07383	0.4
107.04958	100.0
107.08572	1.0
108.05309	0.4
109.10160	0.5
117.07027	0.3
119.08591	1.9
120.08923	0.5
121.10146	1.5
122.10478	0.3
123.08054	0.2
129.07079	0.3
131.08549	0.9
133.06558	0.3
133.10104	1.2
135.11687	0.4
137.09724	0.3
142.07845	0.4
143.08502	0.7
144.08936	0.4
144.32640	0.2
145.10126	0.9
146.10501	0.3
147.08035	0.3
147.11665	0.2
149.09561	0.2
155.08574	0.3
156.09209	0.3
157.10110	1.0
158.10477	0.3
159.11691	0.5
160.12007	0.3
165.09227	0.2
167.10793	0.2
168.09018	0.3
169.10091	0.5
170.10715	0.2
171.11670	0.4
173.13307	0.5
174.13707	0.3
179.08496	0.3
181.10039	0.5
182.10577	0.2
183.11636	0.2
185.13145	0.5
193.10078	0.4
194.10806	0.2
195.11549	0.4
196.12143	0.4
197.13254	0.4
198.13730	0.2
206.10721	0.4
207.11674	0.3
208.12094	0.2
209.13199	0.6
210.13820	0.4
217.10161	0.2
220.12248	0.2
221.13336	0.4
221.15428	0.5
222.13751	0.4
222.15755	0.5
223.14784	0.2
229.50023	0.3
251.88634	0.2
253.19516	0.2
263.17914	0.3
264.18243	0.2
276.18112	0.2
354.90262	0.2
369.27792	0.2
474.34274	0.4
548.39703	0.4
566.40759	4.7
567.39801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01871	3.4
55.05499	1.9
58.13435	1.6
64.00217	1.7
65.03937	7.7
67.05495	4.8
69.03413	1.9
70.06573	3.6
70.61333	4.5
71.04978	1.8
78.04707	2.2
78.52202	1.5
79.05476	9.2
81.03412	3.6
81.07036	4.4
84.08125	3.0
85.02882	2.9
86.09727	2.3
91.05484	14.4
93.03392	5.5
93.07015	3.1
95.04933	3.0
95.08553	2.7
100.11248	2.6
103.05466	6.5
105.03353	1.9
105.04476	1.8
105.07043	12.2
106.04171	2.3
107.04958	37.9
107.08604	3.4
108.08099	1.8
109.02861	1.8
110.03637	6.5
111.04440	5.9
115.05466	7.5
118.04173	2.4
118.74709	1.8
119.04945	8.6
119.08614	3.8
121.02840	2.1
121.06493	4.5
121.10130	2.9
122.03638	2.5
123.04424	8.5
124.05232	5.2
125.05995	5.9
128.06229	3.3
129.06975	5.2
131.04904	7.7
131.08513	3.0
132.05676	3.4
133.02885	3.4
133.06491	8.1
135.04391	1.9
137.06001	10.9
141.06903	1.8
143.05005	1.9
144.05725	2.1
145.06505	3.8
147.04430	10.7
147.08055	5.8
147.11720	2.0
149.05959	4.3
151.03856	3.2
151.07568	3.7
152.04692	2.8
153.05478	38.3
155.04868	2.4
156.05688	2.7
159.08049	9.4
160.05099	2.2
161.05988	13.7
163.07494	1.7
167.07053	100.0
171.08040	2.1
172.05164	3.2
175.07565	22.9
175.79337	1.9
177.05461	3.2
179.07014	6.6
179.08487	2.4
185.06017	2.7
187.07559	17.1
189.05406	5.1
189.06975	3.4
189.09053	2.7
190.07779	3.3
191.06999	8.4
191.08598	4.0
199.07605	9.5
202.07773	4.5
203.08546	3.7
205.06519	3.9
206.07202	4.3
207.06471	3.1
207.08136	2.8
209.09677	1.8
210.14745	2.2
215.06854	1.8
215.08679	2.0
218.07281	5.8
219.08081	8.7
220.08766	4.5
221.06038	2.4
221.09570	5.1
229.08490	2.7
231.07991	3.9
233.05919	4.1
233.09608	3.6
234.06812	5.2
235.07471	4.2
237.08990	2.8
245.05934	2.7
247.07539	7.2
248.08337	6.1
249.09097	6.7
251.07033	3.6
251.10637	5.3
259.09888	2.2
260.08255	4.4
261.05496	2.7
261.09039	5.9
262.09824	2.2
263.06949	1.7
263.10678	2.6
263.56726	1.6
264.07761	4.1
265.08514	7.7
271.02335	3.4
274.06290	2.2
275.07156	3.3
276.07834	11.0
277.08542	7.0
278.09549	3.3
279.10251	6.4
281.08459	2.4
281.11734	9.2
288.07785	2.4
289.08530	4.4
290.09518	3.2
291.10184	6.9
292.07211	3.2
293.08130	6.5
293.11411	2.6
294.08868	2.7
295.09665	2.2
304.07480	2.6
305.08069	2.9
306.08820	2.7
307.09644	16.4
308.10367	4.7
309.11163	9.1
311.12817	2.0
319.09473	11.3
320.10367	2.5
321.07797	2.4
321.11026	9.8
323.12759	6.5
326.11435	2.4
339.08334	3.2
339.12277	46.7
341.13846	15.2
351.12338	24.6
353.13815	7.0
405.05927	19.7
502.57251	1.9
561.18079	1.8
567.19031	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	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05504	0.4
67.05497	1.0
69.03413	0.5
69.07063	0.6
69.33943	1.1
69.34361	1.4
70.06574	0.3
79.05487	0.6
81.03406	1.0
81.07049	1.1
83.01097	0.5
91.05475	1.0
93.07037	0.9
95.04944	0.5
95.08613	0.7
105.07060	0.6
107.04980	1.3
107.08591	0.4
109.02916	0.4
109.10159	0.6
119.04913	0.6
119.08607	0.4
127.03931	0.5
131.04968	0.9
137.05980	0.6
147.04428	1.7
147.11748	0.5
177.05432	0.6
185.04257	0.9
195.10225	0.4
203.05344	1.5
223.13046	0.4
259.07916	2.0
279.10370	0.5
312.33276	0.4
331.09982	1.6
352.13541	0.3
352.25827	0.5
370.26862	1.0
387.16330	0.4
398.91440	0.4
401.18539	0.4
405.05981	1.5
405.22525	1.0
408.42038	0.4
440.57483	0.3
567.27728	100.0
568.28113	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	567.2777
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05490	0.9
67.05499	1.0
69.03429	0.8
69.07089	1.2
71.08720	1.1
71.09072	0.9
79.05495	0.9
81.03427	1.3
81.07047	1.5
91.05452	0.8
93.07003	0.8
93.69279	0.6
95.01072	0.8
95.08559	0.8
107.04954	1.6
109.10159	1.0
131.04913	0.9
185.04163	1.0
201.03751	0.9
203.05310	2.0
209.06535	0.6
240.01488	0.5
259.07999	1.4
331.10031	3.4
373.14981	0.9
387.16245	0.7
387.21417	0.8
405.06039	1.1
405.22452	1.8
455.18701	1.4
469.20441	7.5
498.21030	1.6
539.28113	0.7
549.26746	31.3
550.27576	0.9
567.27747	100.0
568.28156	2.1
581.83215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20330	0.3
53.03962	0.6
55.01869	0.5
55.05505	0.5
57.44705	0.3
59.91323	0.3
61.58728	0.3
67.05497	1.2
69.03436	3.0
69.66554	0.3
70.06597	0.5
70.22472	0.3
71.48874	0.5
71.49274	0.4
79.05484	0.5
81.03423	2.2
81.07052	1.1
85.02906	1.0
91.05486	1.6
92.22688	0.4
93.07059	0.8
95.04987	0.4
95.08577	0.8
97.02901	1.5
97.06514	0.5
99.04472	1.1
99.65273	0.3
103.05500	0.6
105.07028	0.9
107.04973	4.2
107.08606	0.6
109.02892	1.5
109.10156	0.9
119.08610	0.4
127.03952	2.3
131.04951	1.1
133.06442	0.5
133.10117	0.5
137.05994	4.3
145.04990	0.5
147.11768	0.5
157.10181	0.4
161.05986	1.3
181.10109	1.1
185.04237	1.5
201.03966	0.8
203.05249	1.7
205.10185	0.8
215.08629	0.7
233.09631	1.3
243.05150	0.4
247.11366	0.4
259.07831	2.2
261.09045	0.8
307.09750	0.4
331.10037	1.5
369.11111	0.9
373.14526	0.5
387.09128	0.9
387.16489	0.5
401.13831	1.1
405.05911	1.7
405.22488	1.1
469.20502	0.8
567.27783	100.0
568.28253	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	567.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.7
55.01867	8.8
55.05516	41.8
57.03448	16.9
57.07099	4.4
65.03941	5.0
67.05508	67.5
69.03421	9.2
69.07067	36.4
71.04993	8.1
71.47784	3.9
71.48198	4.2
76.65284	3.3
79.05493	61.7
81.03440	7.4
81.07059	72.4
83.04971	7.5
83.08627	23.6
85.02943	4.5
85.06545	5.6
90.30566	3.2
90.54734	3.6
91.05485	64.8
93.07042	60.9
95.04965	7.0
95.08609	50.8
97.06545	19.4
97.10166	12.5
99.08107	10.0
103.05451	4.7
105.07040	78.5
107.04944	16.4
107.08588	48.7
109.06521	28.5
109.10143	23.3
111.08070	5.3
115.05453	9.5
117.07020	32.1
119.08594	63.3
121.06508	7.8
121.10139	20.0
123.08061	12.4
123.11707	5.9
125.09636	5.0
128.06218	8.1
129.07016	22.5
131.04927	9.6
131.08565	33.6
133.10144	33.0
135.08032	13.9
135.11646	16.1
137.06013	7.0
137.09636	3.8
141.07069	10.4
142.07770	6.6
143.08557	27.1
145.10141	32.4
147.04359	3.6
147.08147	4.2
147.11684	32.7
149.09622	6.8
149.13289	7.9
154.07813	3.7
155.08583	29.0
157.10132	24.7
159.08009	4.8
159.11711	30.1
161.09645	4.9
161.13293	7.8
163.11079	4.4
165.07123	4.4
167.08577	13.1
168.09436	3.6
169.10149	28.7
171.11711	17.7
173.11986	3.9
173.13312	15.6
179.08620	6.1
180.09312	4.3
181.10098	15.3
183.11705	33.0
185.13243	18.4
187.11226	5.5
187.14795	7.0
193.10144	9.1
195.11702	18.2
197.13206	17.2
199.11086	5.1
203.14348	6.5
204.08868	3.1
207.11751	7.4
209.13335	16.0
211.14845	10.9
217.15884	5.4
221.13300	7.1
221.15295	7.5
223.14807	10.2
225.16469	5.6
233.13164	5.8
235.14761	5.1
235.16936	5.6
237.16312	5.5
239.18039	5.2
257.19101	7.8
273.18588	6.0
275.20096	60.0
277.21643	9.7
291.19522	18.0
299.20139	6.4
301.72906	3.7
311.20721	4.3
381.27869	4.6
405.06119	15.7
459.32245	6.1
475.35916	5.1
477.33746	4.4
495.34909	21.3
507.14505	7.2
509.35797	4.5
513.37231	7.9
531.38293	13.3
549.39465	28.1
567.16473	15.6
567.31561	14.0
567.40399	100.0
585.17310	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	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84740	5.5
55.05509	12.8
55.26436	6.4
57.23837	5.8
67.05503	16.9
69.03423	8.6
69.81916	6.6
70.06593	9.9
71.01498	17.4
71.05003	8.2
74.64141	6.8
79.05486	13.3
81.07053	26.5
83.04978	10.2
85.02917	38.9
91.05492	14.5
93.07051	22.2
95.04980	38.7
95.08585	15.9
97.06526	11.3
98.20805	5.9
99.04464	8.3
105.07036	23.9
107.04961	9.1
107.08601	35.8
109.06516	27.0
109.10166	34.4
111.08100	7.8
119.08587	17.7
121.10162	37.3
121.78121	6.8
123.08082	10.2
123.11726	22.4
127.03878	8.8
131.08557	14.4
133.10114	59.6
135.08081	16.2
135.11650	17.5
139.11139	11.7
145.04964	9.5
147.11679	25.8
149.13260	19.1
151.11201	20.3
153.09117	15.3
163.14882	8.7
167.10678	11.2
173.13251	82.3
175.14839	33.0
191.14366	63.6
209.15369	100.0
213.54561	7.1
227.16449	66.5
243.09828	9.0
284.34125	7.4
347.63757	6.6
398.48401	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03951	4.4
55.05509	11.8
57.07077	11.1
59.05005	1.6
62.29482	0.9
65.03944	3.6
67.05507	18.5
68.05819	0.9
69.03452	2.2
69.07074	13.2
69.57355	1.8
69.57769	3.7
70.06590	1.7
71.05012	1.9
71.08632	2.2
77.03943	1.6
78.04725	0.8
79.05499	24.9
80.06277	4.1
81.07064	34.0
83.04984	4.0
83.08615	4.9
85.06551	3.4
85.10205	1.4
88.07645	2.6
91.05486	45.5
92.06266	2.4
93.07047	54.6
94.07846	1.3
95.04973	38.1
95.08615	27.8
95.09064	0.6
97.06551	1.6
97.10181	1.1
102.09172	1.3
103.05482	3.6
104.06297	0.8
105.04533	2.6
105.07035	89.8
106.07850	4.4
107.07877	2.1
107.08600	41.4
108.09402	2.6
109.06540	4.1
109.10166	16.3
110.07286	1.3
111.08094	1.9
115.05454	5.4
116.06241	2.7
117.07029	25.5
118.07822	3.2
119.08588	100.0
120.09397	10.0
121.06491	2.5
121.10151	32.3
122.10931	1.3
123.08066	14.7
123.11731	7.4
125.09637	1.9
126.05877	1.1
128.06244	10.5
129.07008	17.4
130.07793	9.6
131.08575	50.6
132.09372	11.4
133.06581	1.1
133.10138	56.0
134.10922	7.2
135.08087	6.2
135.11703	16.3
137.09628	5.5
138.10394	6.6
139.11200	2.4
141.06972	7.5
142.07784	17.4
143.08569	41.1
144.09358	13.2
145.10129	85.2
146.10982	4.7
147.08081	2.4
147.11688	20.5
149.09627	5.3
149.13286	2.6
151.11214	3.0
153.07021	2.7
154.07800	3.1
155.08572	16.9
156.09348	15.9
157.10136	50.2
158.10931	10.8
159.08078	2.3
159.11700	34.9
160.12468	4.1
161.09639	6.0
161.13248	7.8
163.11227	3.9
165.07004	4.9
166.07817	2.9
167.08585	12.0
168.09372	6.9
169.10130	26.8
170.10928	8.9
171.11702	34.9
172.12509	6.6
173.09644	1.0
173.13271	27.7
175.11255	1.2
175.14825	20.5
177.12778	5.5
178.07866	1.0
179.08551	8.9
180.09277	4.5
181.10132	16.2
182.10919	8.6
183.11699	25.5
184.12489	6.2
185.13268	25.1
186.14021	6.0
187.11189	1.0
187.14851	12.6
188.15509	1.0
189.12807	4.7
189.16481	1.7
191.08589	1.6
191.14322	10.0
192.09364	2.5
192.15111	2.6
193.10182	7.6
193.15956	1.2
194.10942	8.1
195.11694	15.6
196.12448	8.5
197.10185	0.9
197.13264	24.5
198.14046	4.5
199.14857	9.5
200.15575	1.7
201.12730	3.1
201.16435	6.7
203.14323	4.5
204.15211	1.3
205.10173	1.8
206.10892	3.6
207.11729	10.2
208.12485	4.3
209.13269	24.5
210.13997	4.1
211.14838	18.8
212.15677	2.6
213.16400	6.4
215.14323	1.6
217.10220	1.0
217.15898	5.1
219.11711	2.0
219.17442	1.5
220.12434	2.1
221.13272	8.8
222.14119	1.5
223.14806	9.9
224.15689	3.4
225.12906	1.3
225.16382	7.7
226.17279	2.9
227.14323	1.8
227.17984	2.2
229.15858	1.3
231.11830	1.2
232.12535	1.1
233.13301	3.2
234.14070	1.9
235.14815	6.8
237.16386	10.1
238.17274	1.4
239.18047	6.7
240.18895	1.1
241.15945	1.4
241.19534	2.4
243.11760	1.1
245.13321	1.8
246.14220	0.9
246.19595	1.1
247.14783	3.4
248.15898	1.3
249.16446	4.1
251.17899	4.6
252.18811	1.5
253.19620	2.3
255.17427	2.1
257.13202	1.0
257.18927	2.4
258.19785	1.4
259.20605	3.7
261.16455	2.7
262.17099	2.1
263.17938	4.6
264.18860	2.0
265.19516	5.9
267.17590	1.5
267.21048	1.6
269.19031	1.5
272.21396	1.3
275.18057	3.7
277.19595	4.0
279.21094	2.6
281.19028	1.3
282.19492	1.0
283.20602	3.7
283.26193	1.6
284.29498	3.7
285.22073	2.1
289.19473	1.5
290.20197	1.0
291.20990	2.1
294.23102	1.1
296.21506	1.2
297.22223	3.1
305.22696	3.1
309.22153	1.8
311.29449	4.8
312.32578	1.4
321.22061	1.3
323.23734	6.9
324.24533	1.1
329.22824	1.1
337.25464	2.4
338.26050	36.4
349.25208	2.0
351.26816	1.3
354.25992	1.1
375.26633	1.1
380.58917	0.9
415.30124	1.7
420.30069	2.1
429.31433	1.2
430.32428	13.7
476.36594	15.3
568.42834	21.7
568.56580	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05501	12.8
57.07059	8.8
67.05495	15.7
68.14042	3.4
69.07058	14.5
70.06581	4.6
70.88549	7.8
77.84620	3.4
78.85227	4.1
79.05489	30.8
80.06269	4.1
81.07059	43.4
83.08627	5.6
91.05476	41.2
92.06239	4.1
93.07043	51.0
95.04974	40.5
95.08593	26.6
95.13412	3.4
105.06403	6.9
105.07038	81.7
107.08608	41.2
107.67059	3.5
109.06533	4.6
109.10146	20.8
115.05466	6.8
117.07045	26.7
119.08580	100.0
119.09376	6.8
120.09408	6.3
121.10148	30.7
123.08053	12.4
123.11691	5.7
125.09622	5.2
128.06226	7.3
129.06982	17.1
130.07748	9.2
131.08549	51.0
132.09320	10.7
133.10141	50.9
134.10855	6.2
135.08064	6.5
135.11710	21.1
137.09630	5.0
138.10388	8.8
141.07025	7.3
142.07771	17.2
143.08569	39.1
144.09328	15.9
145.10135	79.8
147.11662	27.4
149.13266	7.0
153.23019	3.6
155.08543	15.2
156.09381	17.3
157.10121	46.4
158.10890	16.5
159.11671	39.5
161.09590	7.7
161.13281	12.4
165.07019	5.4
167.08623	5.9
168.09341	7.9
169.10098	22.7
170.10765	8.2
171.11714	41.5
172.12439	7.1
173.13254	28.8
175.14845	14.7
177.12775	3.6
179.08583	10.2
180.09386	6.0
181.10159	13.1
182.10825	8.3
183.11670	28.4
184.12440	3.5
185.13306	26.6
186.14066	7.8
187.14796	12.3
189.12791	3.8
191.14278	8.2
192.09297	6.8
193.10172	8.2
194.10881	6.3
195.11729	14.1
196.12479	7.0
197.13286	32.8
198.13925	6.3
199.14810	10.9
201.16422	8.7
207.11667	10.5
209.13269	21.6
211.14835	15.8
213.16397	5.5
219.17380	4.0
221.13167	6.2
223.14799	11.9
224.15718	4.8
225.16460	8.0
227.17650	5.1
235.14825	7.9
239.17984	5.5
247.14795	4.2
251.18024	3.9
261.16559	4.3
263.18082	5.8
265.19485	6.2
275.17822	4.3
277.19385	6.8
284.29398	9.0
311.29428	9.5
323.23755	9.1
338.26010	35.1
386.50589	4.6
430.32101	11.0
476.36511	20.4
512.84265	4.5
563.90686	4.2
568.42920	29.9
568.56592	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	569.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03945	0.2
53.62913	0.1
55.01863	0.3
65.03925	0.2
66.04712	0.6
67.05500	0.3
69.10745	0.2
71.49015	0.3
71.49401	0.2
77.03924	0.2
77.76944	0.2
79.05502	1.0
81.07055	0.5
91.05500	1.1
91.79993	0.2
94.04192	4.0
95.04968	0.5
102.04667	0.2
103.05471	8.2
105.07030	1.4
107.04958	8.3
109.06496	0.6
113.20518	0.2
115.05452	0.5
117.03329	0.2
119.04881	0.2
122.03654	8.9
123.04413	0.2
123.08086	0.2
130.04106	0.2
131.04936	11.3
132.05232	0.3
133.06480	0.8
135.04416	0.2
137.05980	100.0
138.06311	1.5
141.07037	0.2
145.06512	0.2
146.03642	0.9
147.04361	0.6
149.06012	0.3
151.03967	1.0
151.07536	0.4
152.04216	0.3
152.06200	0.2
153.06935	0.3
157.06488	0.5
161.05983	4.0
162.06702	0.5
163.07550	13.5
164.07874	0.3
165.06969	0.4
169.06520	0.3
170.07286	0.3
181.06468	2.4
182.07233	0.8
183.08087	0.4
189.09148	0.2
191.08565	0.4
193.52177	0.2
194.07262	0.5
195.08054	0.7
196.05206	1.3
197.05928	0.9
198.06735	1.7
199.07536	0.2
205.06564	0.3
206.07056	0.2
207.08023	0.2
208.08833	0.3
209.05963	0.4
210.06747	1.1
211.07506	1.4
212.08359	0.2
213.09137	0.8
218.07236	0.4
219.08066	1.1
220.08858	0.5
221.06010	0.6
222.06714	0.4
223.07391	0.3
224.08296	0.5
225.05476	1.7
225.09041	0.6
226.06017	0.3
227.06970	0.3
231.08118	0.4
233.06073	0.5
234.06796	0.6
235.07545	0.7
236.08217	1.0
237.08998	1.2
238.09406	0.5
239.07021	0.6
240.07779	1.9
241.08583	7.9
242.09363	0.4
246.02393	0.2
247.07539	1.5
248.08295	1.9
249.05553	0.8
249.09186	0.2
250.06195	0.6
251.06743	0.2
251.10698	1.8
253.08583	1.1
255.10178	0.6
261.09290	0.2
263.07068	0.4
264.07767	2.4
265.08392	1.9
266.09033	0.7
267.10062	0.3
268.10825	0.2
273.08896	0.2
277.08646	1.0
278.09164	0.2
279.10168	7.9
280.10602	0.3
281.09485	0.3
282.10431	0.3
283.11072	0.9
284.11765	0.3
285.09167	0.4
293.09695	0.4
297.09094	0.6
298.09714	0.3
299.10492	0.3
300.11227	0.5
301.12085	0.3
309.09042	0.3
310.09854	0.6
311.10590	1.7
312.08237	0.2
312.11371	1.2
313.08508	0.7
314.09241	0.4
317.11429	0.2
321.09125	0.3
322.09671	0.2
323.10620	0.7
327.09976	0.6
328.10861	1.0
329.11832	0.8
331.09619	0.3
332.10562	0.2
338.09045	0.3
339.10196	1.7
340.10840	1.4
341.11688	0.4
343.09656	0.4
343.13287	0.6
344.10123	0.2
345.11166	0.3
353.11810	0.3
354.12341	0.4
355.09369	0.4
355.13199	0.2
356.10010	1.1
357.11179	1.3
359.12631	0.3
360.13293	0.4
369.11252	0.3
370.11655	0.8
371.12778	14.7
372.09058	0.2
372.13474	2.7
373.10626	0.3
374.11301	0.2
375.12256	3.7
375.16748	0.3
386.14871	0.3
387.12259	0.6
388.12607	1.5
401.13660	0.4
402.14523	4.0
403.15179	16.9
404.15417	0.3
551.27631	0.3
569.21106	1.3
569.29480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28370	1.4
53.03937	6.7
53.19707	1.5
55.01876	7.2
55.05513	39.9
57.03429	3.2
57.07077	6.9
65.03931	2.8
67.05505	50.4
69.03427	2.1
69.07066	21.9
69.27303	4.8
69.27720	8.4
70.06574	1.9
71.04982	4.1
71.08615	3.0
75.76640	1.4
77.26775	1.4
78.04758	1.6
79.05495	46.3
81.03416	5.4
81.07059	50.8
83.04972	8.6
83.08157	2.7
83.08620	35.3
85.10187	1.7
88.07613	4.2
91.05482	52.5
93.07046	56.1
93.07636	2.8
95.04972	26.3
95.08608	41.5
97.06561	9.4
97.10157	6.3
98.20721	2.4
99.08073	2.4
102.09128	3.2
105.07030	51.2
107.04962	12.2
107.08596	27.8
109.06514	5.8
109.10146	16.8
111.08069	8.0
115.05527	2.1
116.06248	1.6
117.07021	19.3
119.04991	1.6
119.08582	46.3
120.09388	3.2
121.06495	6.6
121.10146	23.7
123.08057	4.6
123.11699	5.2
125.09632	6.5
128.06200	2.3
129.07010	8.7
130.07791	1.8
131.08575	26.1
133.06476	2.7
133.10132	36.4
134.10924	1.6
135.08070	7.5
135.11693	17.3
137.09596	5.7
139.11177	1.8
141.06998	3.5
143.08525	8.9
145.06474	3.1
145.10129	31.6
147.08022	3.9
147.11691	27.0
149.09621	31.5
149.13235	8.6
151.11194	4.6
155.08537	5.8
157.10130	8.2
159.11688	18.8
161.09596	3.1
161.13257	10.5
163.11186	36.8
163.14890	2.5
165.12766	4.7
169.10141	6.7
171.11699	6.8
173.09680	3.5
173.13234	11.0
175.11234	5.4
175.14857	4.0
177.12685	3.9
181.10092	1.8
183.11688	6.4
185.13252	5.6
187.11241	2.7
187.14822	3.9
189.11205	3.2
189.12769	2.5
189.16380	2.0
190.65569	1.7
191.10706	1.8
191.14355	1.8
195.11725	2.4
197.13232	4.7
199.14818	3.5
207.13835	1.9
209.13132	1.7
211.14876	3.3
215.17938	2.1
223.13268	12.4
229.19547	7.0
233.15465	2.3
235.16768	3.3
239.17990	10.6
241.19676	3.6
247.16988	1.7
247.20543	2.7
257.18958	15.1
259.20557	11.6
275.20059	100.0
276.20755	8.5
277.21616	25.5
284.26678	2.3
284.29446	4.3
285.29779	3.8
293.21100	23.5
301.21548	3.3
311.29474	6.1
312.29630	3.2
312.32779	1.9
367.26389	1.5
391.49951	1.5
423.32370	2.9
441.33673	6.8
443.31671	3.2
525.25934	1.6
533.39850	3.2
551.40710	9.4
568.56567	4.3
569.42371	15.5
569.56873	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	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.05508	21.1
57.03446	4.7
57.07072	7.2
64.19535	1.6
65.03951	4.7
67.05507	72.9
69.03430	9.5
69.07072	21.2
70.06591	3.3
71.04982	2.4
71.08626	5.0
71.49628	2.3
77.03948	1.8
79.05496	77.3
80.05862	1.8
81.07059	73.8
81.07536	3.9
82.07416	3.2
83.05000	4.1
83.08633	10.0
85.06533	3.2
88.07626	6.7
89.06028	2.5
91.05483	66.6
93.07049	71.2
95.04993	9.1
95.08607	50.9
97.06531	5.6
97.10181	8.4
102.09180	3.6
105.07040	40.8
105.07702	3.3
107.04967	6.1
107.08588	35.8
109.06534	3.4
109.10153	20.5
111.08068	2.3
117.07014	17.8
119.08572	30.5
121.06541	2.4
121.10136	31.0
123.11738	8.5
128.06239	3.3
129.07002	11.6
131.08582	21.9
133.10141	24.3
135.11693	13.8
137.09637	3.1
142.07784	2.1
143.08575	12.8
145.10120	20.6
147.11671	14.0
149.09613	2.5
149.13258	4.0
155.08601	3.7
157.10110	9.2
159.11668	9.0
161.13330	7.6
169.10181	4.8
171.11697	11.3
173.13327	7.7
175.14880	4.2
181.10210	2.9
183.11687	2.6
185.13268	4.8
187.14832	3.9
189.16414	5.3
197.13298	3.7
199.14908	8.1
207.17516	2.6
211.14940	2.2
217.15971	6.0
235.16978	9.8
239.18175	1.9
243.21306	2.4
246.07063	2.9
257.18903	1.8
259.20639	3.0
261.22189	2.8
284.26767	3.3
284.29608	9.2
285.29886	4.6
291.19711	4.5
311.29584	6.9
312.29767	4.9
335.25806	4.7
441.32541	2.4
477.37201	7.5
495.38229	2.9
551.40771	8.0
568.56989	3.6
569.42047	100.0
569.56396	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	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27577	1.0
55.05508	4.2
57.07080	56.1
67.05491	4.3
69.07073	7.8
71.08636	49.1
71.49056	1.0
73.06551	4.3
73.22540	1.0
79.05488	2.5
81.07062	3.6
83.08611	4.4
84.02657	0.9
85.09673	1.4
85.10188	31.5
87.04451	5.3
89.06035	100.0
91.05494	2.7
93.07061	3.0
95.08621	3.9
95.72974	1.0
97.10179	4.6
98.98478	2.2
99.11736	7.0
104.87150	1.0
105.07014	2.1
107.04961	3.9
107.08607	1.9
109.10188	2.0
111.11720	4.0
113.13284	4.5
117.07013	1.2
117.09154	5.7
124.80516	1.0
125.13287	2.4
127.14840	3.5
130.08604	1.9
131.07097	1.7
131.08594	1.0
133.08614	59.4
145.10127	1.7
150.00427	1.1
161.11717	1.8
177.11221	24.2
183.21068	1.3
195.12352	1.6
221.13812	6.2
223.15500	1.1
227.23656	2.4
239.14845	1.6
268.87213	1.0
271.26379	2.4
283.17459	2.9
315.29074	4.0
327.20206	3.2
357.99771	1.0
371.22815	10.8
553.43066	9.3
565.91620	1.2
570.31390	3.1
570.42609	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	571.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97977	1.0
69.03395	1.6
69.40691	8.0
74.93406	1.0
81.39838	1.0
82.99858	2.5
85.02924	1.9
97.02907	1.9
98.97594	2.6
101.00881	15.9
109.02885	1.5
113.00885	4.0
115.02427	2.6
115.35625	1.0
119.01925	21.0
127.02430	4.4
127.03925	1.2
128.98645	1.0
131.01913	10.8
133.03458	3.9
139.02414	1.5
143.01909	34.7
145.03479	14.1
147.01445	1.3
153.04004	1.1
155.01894	19.8
157.03464	9.2
159.01419	1.3
161.02969	25.8
167.01918	11.2
168.99855	4.1
169.03491	3.6
170.99733	1.6
171.01381	2.4
171.05058	2.4
173.02971	23.0
175.04611	1.3
179.01947	4.5
183.01401	1.7
185.02965	45.2
187.00943	3.2
187.04552	4.7
189.02454	2.0
191.04051	1.5
196.99399	1.8
197.03004	15.0
199.00818	3.0
199.04640	1.5
201.02364	1.3
203.04037	10.6
209.03041	2.5
213.02591	1.4
215.00414	3.7
215.03999	8.2
217.01953	3.6
219.01701	2.0
219.03592	2.3
221.05051	3.4
227.04042	9.3
228.05775	2.7
228.56081	1.6
229.01904	2.6
231.03514	4.3
239.03976	1.9
245.05089	100.0
246.05255	1.9
247.02997	4.6
247.05280	1.1
249.04727	1.8
253.01959	1.4
257.05026	6.8
259.02872	3.0
261.02670	1.3
263.06131	11.8
271.02988	3.8
275.02478	4.2
275.06097	12.9
289.04044	13.1
293.07062	3.0
299.02411	1.8
301.04141	2.0
305.07214	11.4
307.05130	9.6
319.05194	4.4
331.05035	4.7
335.08298	3.1
349.06198	8.9
359.04599	4.5
361.06238	1.5
365.09320	16.1
377.05777	2.6
383.10199	1.2
391.07272	4.1
409.07874	1.4
469.10095	1.6
511.11160	3.8
539.10876	3.2
571.13507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53177	1.6
55.72701	1.4
64.18748	1.3
64.85994	1.4
66.21065	1.4
70.82212	3.0
82.99889	4.8
85.02903	1.8
97.02880	2.2
98.97604	1.7
101.00880	14.8
109.02907	1.7
113.00874	4.1
115.61880	1.4
119.01939	21.7
127.02421	4.4
129.04054	1.9
131.01909	10.0
133.03477	3.1
139.02420	2.5
143.01910	35.9
145.03487	15.6
147.01483	2.5
155.01894	23.9
157.03488	8.9
161.02974	24.3
163.04660	1.6
167.01910	12.4
168.99844	4.4
169.03490	4.4
171.01410	2.2
171.05040	2.9
173.02991	23.3
175.04535	4.1
179.01918	5.5
184.04539	1.6
185.01376	3.1
185.02975	41.7
187.00977	2.2
187.04596	3.7
191.04013	2.6
197.02946	19.2
199.00931	2.8
201.02486	2.7
203.04071	12.6
209.02922	3.4
213.02463	2.2
215.00458	5.5
215.03967	8.8
217.02003	3.0
221.05133	2.3
227.04022	8.4
228.05782	2.0
229.02119	3.1
231.03462	4.0
239.04129	1.6
245.05099	100.0
246.05267	2.4
247.02951	4.2
250.20731	1.9
257.05148	6.7
259.02826	2.3
263.06128	11.5
271.03021	3.6
275.02612	4.7
275.06140	11.9
289.04044	9.3
293.07239	1.7
301.04099	4.1
303.05624	2.7
305.07199	13.4
307.05081	8.0
319.05167	3.3
331.05157	3.2
335.08234	4.7
349.06216	9.1
350.06232	1.9
365.09329	16.4
377.05646	3.6
391.07236	7.2
409.07950	3.5
434.91199	1.7
469.10062	1.9
485.85641	1.8
511.11563	4.4
539.10632	4.0
548.06354	1.7
571.22772	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	571.1449
Annotation	cudranian 2
Peak:m/z	Relative Intensity
53.03918	0.7
55.01878	1.3
57.03407	0.7
58.93364	0.3
61.02885	1.2
64.19382	0.3
69.03437	3.4
69.53566	0.9
69.53976	0.8
73.02873	0.5
81.03424	1.8
85.02908	10.7
86.09649	0.4
87.04442	0.4
91.03928	0.6
95.04913	0.3
97.02900	3.8
99.04420	0.4
103.05403	0.3
107.01286	0.8
107.04951	0.5
109.02831	1.1
109.03508	0.3
121.02867	0.6
123.00773	0.3
127.03914	2.0
131.04944	0.4
137.02345	8.2
137.03413	0.6
141.01862	0.4
145.05017	1.5
147.04356	0.4
149.02281	0.5
163.03905	1.4
165.01852	4.7
171.04337	0.6
177.01741	0.4
177.39183	0.3
183.02855	0.9
185.05986	0.6
187.03914	0.9
189.05479	2.8
191.03404	0.3
193.40405	0.3
199.03903	0.9
210.32336	0.3
213.05441	1.4
217.04907	1.6
227.03282	0.5
231.06523	0.3
241.04961	0.9
245.04459	4.2
259.05997	0.8
269.04419	0.9
287.05505	1.1
303.04935	0.3
315.04987	81.8
316.05347	1.0
330.72751	0.3
409.09192	100.0
410.09436	1.7
416.65411	0.3
519.68726	0.3
571.33350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.145
Annotation	cudranian 2
Peak:m/z	Relative Intensity
53.03939	1.0
55.01854	0.3
57.03421	0.4
57.41161	0.3
59.70832	0.3
61.02928	0.6
67.05490	0.5
68.99794	0.9
69.03428	2.4
69.07076	0.5
69.30661	3.0
70.06596	0.7
71.04964	0.4
79.05482	0.9
81.03407	1.4
81.07047	0.8
84.04477	0.3
84.08160	0.4
85.02909	4.8
86.09678	0.5
91.05478	0.4
93.03384	0.4
93.07024	0.4
95.04986	0.7
95.08603	0.8
97.02884	2.2
98.21529	0.6
99.04462	0.4
105.07042	0.6
107.04958	18.2
107.08585	0.8
108.05258	0.5
109.02884	1.2
109.10146	0.7
111.00799	1.0
118.32279	0.3
120.08083	0.4
121.02879	1.6
121.10161	0.4
123.04415	0.4
127.03911	1.2
132.63292	0.4
133.10168	0.4
137.02339	3.1
137.06013	0.8
145.04959	0.9
147.04446	0.4
149.02376	0.6
153.01836	4.2
159.11720	0.5
165.01866	2.4
167.07088	0.3
173.05991	0.8
179.03339	0.3
183.02831	1.0
183.04321	0.4
184.07346	1.0
187.03922	0.5
201.05457	1.9
219.06445	0.4
225.73842	0.3
229.04996	4.2
247.05913	0.8
257.04382	3.2
274.04739	0.6
285.03934	1.0
303.04999	100.0
304.05371	1.3
315.04990	2.1
315.08414	0.4
409.09399	15.1
464.94653	0.4
539.60028	0.4
571.23615	0.4
571.31293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01875	0.5
57.03418	0.6
60.73496	0.2
60.94843	0.2
61.02917	0.8
65.03926	0.4
67.05499	0.2
68.78680	0.2
68.99784	0.6
69.03430	2.4
70.06604	0.2
70.31784	0.4
70.32187	0.4
71.04975	0.2
73.02898	0.3
79.05473	0.3
81.03427	1.6
81.07041	0.6
85.02908	6.3
87.00781	0.3
87.04474	0.3
91.03929	0.3
91.05437	0.3
93.03384	0.2
93.07047	0.5
95.04956	0.5
95.08619	0.3
97.02885	2.3
99.04440	0.3
101.83690	0.2
105.07017	0.2
107.04960	8.1
107.08583	0.2
108.05258	0.3
109.02889	1.0
111.00797	0.6
114.10035	0.2
119.08527	0.2
121.02885	1.0
121.06521	0.2
121.10128	0.6
123.04429	0.3
127.03930	1.4
131.04922	0.3
137.02333	3.1
145.04944	0.9
145.06602	0.2
149.02347	0.3
153.01834	4.2
153.03053	0.4
155.04848	0.2
161.05974	0.7
162.43324	0.2
163.03896	0.6
165.01830	2.3
166.02626	0.3
173.05989	0.6
177.05478	0.2
183.02901	0.9
183.04355	0.3
187.03886	0.3
195.02853	0.3
201.05522	1.9
205.04953	0.3
228.04118	0.3
229.04982	4.4
246.04344	0.2
247.06026	0.9
257.04474	3.2
274.04733	0.8
275.05402	0.4
285.03961	1.1
303.04987	100.0
304.05359	1.3
409.09189	12.4
410.09616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
53.98224	0.6
54.15135	0.6
57.03430	0.9
67.05509	0.7
67.85811	0.6
69.03410	1.1
70.06599	3.4
70.57899	1.4
70.58274	1.4
72.08144	1.1
79.05504	1.0
80.73872	0.6
84.08152	1.2
85.02889	2.3
86.09696	1.4
91.05463	1.3
93.07050	1.2
94.06581	1.2
95.04950	1.4
105.07019	1.1
107.04960	27.8
111.00729	0.6
119.08575	0.8
120.08094	0.7
121.86913	0.6
122.06036	1.9
127.03946	0.9
127.12226	0.6
131.08533	0.8
136.07574	1.8
137.05952	1.0
142.08656	0.8
164.07100	2.3
172.04968	0.8
172.08725	5.1
173.09480	0.9
182.08163	1.7
186.10243	1.2
187.07449	4.9
198.06503	0.8
199.07407	3.3
200.08183	2.7
203.03384	1.1
216.07690	5.9
216.10126	2.1
226.08647	1.7
229.13400	0.9
243.08784	100.0
244.09549	53.7
245.10324	1.1
245.15424	0.9
246.82352	0.8
257.10330	5.3
257.12903	3.8
285.12323	2.5
303.13339	5.7
305.17386	0.8
315.05008	2.5
332.11194	0.7
360.13715	0.9
361.14877	0.9
362.13452	0.9
377.14557	1.5
378.15347	72.4
379.16116	29.8
409.09338	1.4
409.17416	1.2
421.17096	1.5
440.21640	0.7
447.15076	14.3
465.16171	33.3
466.16934	0.8
571.20868	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	571.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27404	0.3
53.03947	1.7
55.01889	0.3
67.05534	0.4
69.33232	2.9
79.05505	2.0
81.03402	0.3
91.05502	0.4
95.04988	1.9
99.97437	0.4
105.04537	0.5
107.04962	100.0
107.80080	0.3
108.05270	0.6
121.51121	0.4
122.06029	1.2
124.07610	0.3
128.55573	0.4
136.07561	0.4
138.09131	1.0
148.03969	0.8
173.07118	1.0
184.11133	0.5
187.08670	0.7
198.09148	0.4
200.09238	0.4
201.10277	0.7
201.13904	1.9
212.10675	2.4
213.06540	0.5
214.10608	0.5
214.12277	1.3
215.08162	1.0
215.11816	0.6
216.12450	0.4
228.08836	1.8
229.09712	1.7
229.13376	16.6
239.11943	0.6
240.10263	0.8
242.10497	1.4
243.11305	3.9
257.12866	56.9
258.13235	0.6
259.14499	1.7
275.13919	1.0
285.12335	12.3
286.12665	0.4
289.23239	0.4
303.13400	69.8
304.13718	1.3
409.09198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61646	2.7
53.03945	10.1
55.01878	12.8
55.05513	18.2
57.03436	7.6
57.07076	5.7
57.74285	2.5
61.02922	5.8
65.03938	3.8
67.05509	30.2
69.03434	48.4
69.07076	31.2
69.14357	7.7
69.14763	20.1
71.05006	17.7
73.02920	5.1
79.05497	26.6
81.03424	32.2
81.07061	100.0
83.05006	4.0
83.08617	7.2
85.02438	4.9
85.02912	57.7
85.06544	8.6
87.00831	22.7
91.05482	19.8
93.07052	61.2
95.04984	11.1
95.08619	67.0
97.02905	25.9
97.06535	20.5
97.10179	2.8
98.20789	5.0
99.04478	12.2
99.08128	4.6
105.01836	13.1
105.07034	37.8
107.04958	16.8
107.08606	66.1
109.02893	30.4
109.06528	10.5
109.10167	41.9
111.08099	33.6
111.11717	4.4
117.01810	4.7
117.07014	5.4
119.08591	36.6
121.02904	4.0
121.06533	6.5
121.10144	36.3
123.04443	4.1
123.08064	7.0
123.11702	28.0
125.09621	14.9
127.03930	34.0
127.11168	13.1
129.07054	3.9
131.04956	7.0
131.08582	14.2
133.06483	3.0
133.10159	29.0
135.08069	6.1
135.11717	27.3
137.09610	13.7
137.13255	7.4
139.11206	14.1
140.97388	2.5
143.08601	5.3
145.04985	8.9
145.10141	20.5
147.11705	24.9
149.09660	3.9
149.13266	26.2
151.11186	42.5
153.12787	15.0
157.10164	9.5
159.02884	8.7
159.11690	22.9
161.09557	3.2
161.13284	15.9
163.11212	4.8
163.14801	6.4
165.12852	5.1
167.14284	3.1
169.12254	13.9
171.11659	6.4
173.13300	10.5
175.14819	10.2
177.12721	3.8
177.16447	4.4
179.14279	4.1
185.13289	5.2
187.14833	5.6
189.16327	12.6
191.14322	6.8
191.17989	3.0
199.14851	4.4
201.16411	17.3
203.18074	6.7
207.17465	4.0
213.16513	6.4
215.17979	5.6
217.15904	2.9
217.19594	2.8
219.17490	8.8
221.19073	3.1
223.16954	4.7
231.04979	4.5
231.17509	3.2
233.19058	6.0
251.20120	4.7
257.22626	4.3
269.22714	9.3
275.23807	9.7
287.23740	21.8
293.24750	9.0
305.24762	35.6
323.25937	12.4
332.36368	2.8
393.50540	2.8
571.30133	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	572.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49329	0.4
55.05521	6.7
56.05032	1.3
56.92548	0.5
57.05815	1.0
69.03438	0.7
69.46851	3.5
70.06598	20.6
72.08160	100.0
81.42975	0.4
84.04511	20.7
84.08153	0.9
85.02924	1.6
86.09737	1.2
90.28666	0.4
91.05460	0.5
97.02920	0.6
98.20773	1.0
100.07607	0.9
102.05550	13.5
107.04969	5.7
109.07665	0.5
116.07103	44.0
120.08155	0.5
124.07636	0.5
129.06659	1.7
129.10297	0.5
130.05022	2.2
137.06006	1.6
142.08693	0.7
156.10260	0.9
167.08179	2.3
168.06592	1.3
171.14940	32.6
181.09805	1.6
195.07710	2.6
196.05959	0.6
199.14427	27.2
201.12376	3.5
209.09309	1.4
213.08806	2.6
227.10272	17.9
229.11827	4.7
230.11691	0.6
231.04997	0.5
231.09715	4.5
241.08266	5.0
245.11267	2.9
246.11285	1.1
248.12848	2.5
259.09268	15.4
310.17691	0.8
312.15570	0.8
321.65369	0.5
328.18661	14.7
328.22327	0.8
338.13510	0.6
340.15259	0.7
356.14532	3.2
358.16052	3.6
374.15662	3.1
386.15768	1.1
410.17804	0.8
411.22412	0.6
429.23404	3.5
439.22046	0.6
457.22992	12.2
473.22882	0.5
572.30103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29714	0.9
53.03940	1.6
58.47512	1.0
59.30562	0.9
62.20188	1.0
71.09497	2.4
79.05473	1.0
81.07041	1.2
87.16432	1.0
91.05482	2.2
93.07059	1.5
95.04976	1.0
96.08093	0.9
107.04961	47.0
108.08146	1.5
122.06004	3.3
124.07593	9.2
129.85101	0.9
136.07582	94.6
137.07941	2.1
138.09178	0.9
148.07637	1.9
150.05553	0.8
152.05879	1.8
152.07072	23.0
164.07071	100.0
165.07335	1.1
170.08131	8.1
182.08138	19.9
198.22412	0.8
287.13901	26.6
305.14954	53.2
306.15408	1.3
411.09650	1.4
442.81897	1.0
546.86456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11714	2.1
69.03419	2.6
70.04556	10.1
70.06587	4.6
73.57491	2.2
81.07037	3.2
84.08185	2.4
85.02883	3.6
86.09702	6.5
95.04993	2.2
96.08131	7.1
105.07034	2.6
107.04960	100.0
120.08067	3.0
122.06075	3.4
124.07598	48.6
136.07582	76.6
138.09161	2.2
148.07620	6.4
152.07066	19.5
158.92775	2.1
160.88292	2.7
164.07066	89.9
170.08119	9.0
182.08154	35.3
242.11795	3.0
270.11310	2.6
286.12836	11.6
287.14035	14.5
288.12363	6.2
305.11630	2.3
305.14944	41.1
305.18179	3.9
328.81750	2.1
332.20822	2.3
387.92456	2.7
411.18652	2.3
596.70660	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03948	1.3
55.01864	3.8
55.05521	6.4
57.03436	5.5
57.06802	1.6
57.07080	28.4
63.19044	1.1
67.05509	13.6
69.07074	7.8
71.08637	20.7
71.48258	1.1
71.49883	1.1
79.05485	7.3
81.03433	5.4
81.07056	14.8
83.04985	1.2
83.08619	7.5
85.02869	0.9
85.10192	11.1
91.05495	5.3
92.94234	0.8
93.07043	7.6
95.04970	1.4
95.08607	17.2
97.06548	5.6
97.10196	4.6
98.36913	0.9
98.98472	31.2
105.07051	5.8
107.04944	2.7
107.08573	3.5
109.02866	3.6
109.10153	9.5
109.47803	0.8
117.07031	1.4
117.39911	0.8
119.08583	3.8
121.10132	3.7
123.11694	2.2
127.90823	0.9
131.08531	1.9
133.10138	2.6
135.11674	1.5
137.13318	0.9
145.10106	2.4
147.11708	2.4
155.01048	27.5
157.10092	1.0
159.11705	1.6
161.13283	1.0
171.11684	1.0
173.02187	1.3
177.75644	1.2
179.14316	1.0
239.23653	5.0
261.03696	2.0
261.09003	0.9
261.22021	1.5
275.20105	6.0
281.17514	2.8
313.27383	100.0
314.27682	2.5
317.06354	2.3
335.07388	3.0
339.98792	1.0
349.23730	2.1
384.24863	1.3
393.23965	4.1
401.28922	3.0
403.15805	1.0
450.38269	0.9
537.28082	1.6
555.36505	2.8
573.39850	1.3
573.48273	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	574.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05516	18.1
57.03426	5.1
57.06836	2.7
57.07077	41.7
67.05506	54.8
69.07074	17.7
71.05000	22.3
71.08640	24.6
71.76704	2.7
79.05487	13.2
81.07056	93.6
82.07402	2.7
83.08625	16.1
85.06533	7.8
85.10175	17.1
87.04478	28.6
91.05486	22.1
93.07045	16.5
95.08607	31.2
97.06561	3.2
97.10178	11.1
105.07042	11.8
105.07631	2.4
107.08594	8.3
109.10168	14.3
111.08067	3.0
117.07030	4.5
119.08562	2.6
121.10117	8.1
121.49098	2.3
123.11687	15.3
131.08546	3.7
133.10123	13.9
135.11742	3.4
145.10152	3.5
147.11691	3.7
149.13271	4.9
151.11186	2.3
159.11687	5.2
187.13255	3.8
239.23877	3.8
257.17575	3.2
269.17505	5.0
283.26520	3.6
301.19977	20.3
308.02377	2.5
313.27347	30.7
344.83322	2.4
481.38864	100.0
491.41229	2.8
495.40463	3.3
507.40842	2.6
539.43085	45.4
574.49744	15.0
575.49744	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	575.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21421	0.4
53.03949	1.4
55.01866	0.6
68.46844	0.5
69.03428	1.3
69.16075	3.4
69.16495	1.7
69.50141	0.4
79.05499	1.5
85.02912	2.3
86.09695	0.5
95.04988	1.0
97.02899	0.7
98.21542	0.9
105.04521	0.5
107.04957	100.0
108.05320	1.2
114.42206	0.5
122.06071	0.7
127.66575	0.5
135.08116	0.5
135.52179	0.4
136.07542	0.6
137.06010	0.6
140.07054	1.1
145.05006	0.5
164.07034	0.4
168.06671	0.6
178.08650	5.5
188.07060	0.6
201.10373	0.8
202.08659	2.2
205.09790	1.7
206.08102	0.9
212.07002	0.6
216.10204	0.6
219.11235	2.6
226.08604	1.2
229.09764	1.1
230.08162	1.6
243.11264	0.5
244.09753	1.5
247.10785	6.8
261.12366	1.2
262.10776	0.7
265.11835	7.0
271.10870	0.6
272.09262	0.7
289.11832	7.6
290.10168	0.8
307.12885	71.9
308.13147	0.9
413.17084	38.7
414.17346	1.2
476.69553	0.6
575.20801	0.7
575.29205	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	575.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01878	0.7
64.04292	0.4
69.03455	1.2
69.41147	1.2
69.41551	2.3
70.06590	1.3
79.05505	1.1
81.03418	0.8
84.08175	0.6
85.02922	2.4
86.09698	0.7
95.04967	1.7
97.02843	1.1
105.04489	1.0
107.04961	100.0
108.05247	0.7
110.82561	0.5
120.08122	0.5
121.06500	0.5
127.03987	0.6
130.06520	0.7
135.08031	1.0
140.07053	1.6
146.05959	0.7
160.07600	0.6
168.06555	1.1
174.09196	0.8
176.10641	0.6
178.08636	6.6
184.07574	0.6
188.07062	1.4
201.10255	0.9
202.08665	2.0
205.09776	1.8
206.08101	1.3
216.10162	1.0
219.11429	2.7
220.09653	0.9
223.90030	0.5
226.08586	0.9
229.09776	2.4
230.08087	1.6
243.11191	0.9
244.09703	2.5
247.10785	7.7
256.29227	0.5
261.12329	0.8
262.10883	0.7
265.11877	7.9
271.10812	0.8
272.09418	1.2
289.11826	9.6
289.14838	0.8
305.61639	0.6
307.12900	86.6
308.13260	1.1
361.30438	0.5
401.96594	0.5
404.15848	0.5
413.17078	50.3
414.17188	0.8
575.30634	4.4
603.86237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
65.73586	1.3
67.05480	1.5
69.27130	12.0
70.06556	1.8
81.07035	1.8
90.54913	1.3
98.20825	3.0
107.04958	52.1
108.05304	1.8
122.05968	1.8
124.07588	9.7
126.09155	5.1
136.07578	39.5
137.07899	1.4
138.08266	1.0
138.09132	43.7
152.07079	18.8
164.07069	100.0
170.08153	5.3
182.08134	17.1
205.80547	1.5
219.19821	2.0
232.71944	1.6
289.15457	18.4
307.16525	60.7
331.03043	2.0
398.45804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	5.1
55.05515	26.6
55.80634	3.5
57.07068	12.9
59.04983	7.8
67.05508	32.1
69.03430	9.2
69.07076	48.7
69.26746	31.3
69.83769	3.4
71.04987	14.1
71.08628	3.1
74.53346	3.5
76.17549	3.4
79.05495	9.1
81.03428	5.9
81.07065	79.8
83.04995	3.6
83.08636	28.0
85.02904	12.5
85.06545	5.1
87.00835	4.4
89.06045	15.0
91.05515	8.8
93.07049	37.1
95.04962	8.0
95.08615	100.0
97.02870	5.8
97.06557	9.3
97.10171	18.0
99.04440	3.9
99.08070	3.4
105.07053	21.0
107.04966	39.7
107.08618	33.0
109.02931	7.7
109.06494	4.5
109.10168	43.4
111.08093	39.1
111.11732	9.2
119.08591	9.3
121.10144	25.6
123.11704	35.1
125.09618	4.4
125.13301	4.0
127.03947	7.7
131.04910	5.2
131.08629	4.7
133.10104	10.1
135.11711	11.8
137.06047	3.2
137.13240	13.2
145.10162	3.7
147.11691	10.6
149.13283	26.2
151.11227	4.1
151.14734	5.6
161.13252	6.2
163.14851	14.6
165.16425	9.1
167.14343	4.2
177.16411	6.1
191.17932	5.1
203.17963	4.3
213.03743	3.4
217.19560	5.0
254.11882	7.3
261.25745	8.9
273.25757	19.5
279.26807	19.4
291.26794	52.8
309.27850	41.5
469.93918	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	576.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36575	4.0
53.03944	5.8
55.05519	22.8
57.03424	3.5
62.06092	39.1
63.54975	3.7
67.05506	36.6
69.07075	9.9
69.64970	22.6
71.04991	15.3
73.06559	4.8
77.68358	3.4
79.05488	15.0
81.07069	39.0
83.04986	68.4
85.06561	4.3
89.19299	3.9
91.05489	11.3
93.07070	22.6
95.08625	27.9
97.10186	4.9
98.21490	7.2
99.46584	3.7
101.06023	100.0
105.07037	6.9
107.08650	18.3
107.99417	3.8
109.10149	21.5
110.30511	3.2
119.07095	4.0
119.08612	8.5
121.10155	13.2
123.11694	6.4
131.08583	12.9
135.11719	10.1
147.11737	5.2
149.13254	7.9
159.11763	6.5
161.13266	6.6
173.13287	3.8
243.21007	4.5
261.22180	40.0
279.23245	15.2
365.08984	3.8
371.07086	4.0
379.28342	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	31.7
57.03423	19.8
57.07082	47.1
67.05511	41.6
69.07056	41.9
70.73437	19.4
71.08618	33.0
79.05483	19.5
81.03429	65.0
81.07053	50.9
82.07370	9.6
83.08633	39.7
85.10181	20.2
91.05482	19.9
93.07031	23.0
95.04961	21.2
95.08617	53.1
97.10163	19.1
98.39015	9.5
105.07037	22.0
109.10129	15.9
119.08596	15.3
121.10152	15.6
123.11679	15.2
131.08601	13.4
133.10129	11.5
147.11597	12.2
149.09526	8.8
193.12215	26.2
267.15945	100.0
313.27475	83.0
432.01865	9.4
505.38931	80.9
563.73633	10.0
576.50488	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.1
54.83068	4.8
55.01882	6.2
55.05496	14.2
57.03429	6.3
57.07072	21.2
57.10792	4.6
67.05504	33.3
69.03426	25.4
69.07076	63.5
70.06596	6.2
70.92600	5.7
70.92933	8.8
71.04990	6.9
71.08647	7.8
73.02912	5.8
74.16244	4.2
79.05489	22.7
81.03421	18.0
81.07059	94.6
83.08623	34.4
85.02917	51.0
85.06537	15.8
85.10195	5.9
87.00840	29.0
91.05488	15.4
93.07065	32.6
95.04958	9.6
95.08611	100.0
97.02886	15.4
97.06538	6.9
97.10161	24.7
99.08129	7.8
105.01872	18.0
105.07042	19.1
107.04961	42.6
107.08596	35.9
108.05285	8.7
109.02876	13.9
109.06583	6.6
109.10168	65.6
111.08097	7.8
111.11718	19.6
117.06959	5.4
119.08560	9.2
121.06485	5.3
121.10134	20.0
123.11716	45.2
125.13284	9.0
127.03936	25.9
127.11165	8.0
131.08594	8.5
133.10176	8.3
135.11711	18.6
137.05901	5.3
137.13260	19.1
142.65083	4.3
145.02847	6.6
145.05026	7.9
145.06540	5.9
145.10101	7.9
145.55315	5.4
149.13283	37.3
151.14867	6.1
153.12743	7.1
157.10197	6.0
159.11673	6.5
161.09589	5.2
163.07637	5.2
163.14833	17.2
165.16389	10.7
167.14313	13.7
168.55275	4.5
177.05420	5.9
177.16393	5.3
191.18028	10.1
193.19612	6.0
219.21072	5.2
231.04968	9.1
253.73143	4.7
275.27350	20.0
293.28378	48.7
311.29507	6.1
329.30469	7.8
401.30515	7.0
415.15302	5.4
577.20673	6.1
577.30139	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	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01871	6.2
55.05517	38.8
57.03429	11.2
57.07064	4.2
62.68388	3.6
65.03928	4.5
67.05183	5.5
67.05511	82.0
69.07073	26.3
69.12753	17.7
69.13173	21.1
71.04993	16.1
71.08633	4.7
79.05502	54.9
80.19515	3.8
81.03413	15.7
81.07063	100.0
83.04969	5.8
83.08620	23.1
85.06533	13.9
91.05479	49.5
93.07047	66.9
94.16479	4.3
95.04956	13.3
95.08619	58.0
97.06512	10.0
97.09502	3.6
97.10161	16.8
105.07040	50.7
107.04960	8.8
107.08595	38.2
109.06537	7.1
109.10172	30.2
110.79591	4.4
111.08059	6.7
117.07017	15.8
119.08601	34.9
121.10152	25.2
123.04449	6.9
123.08073	7.1
123.11707	12.7
125.09609	12.9
129.07005	12.4
131.08577	30.3
133.10121	25.7
135.08072	6.6
135.11697	17.5
143.08560	15.7
145.10141	23.9
147.11719	25.4
149.09613	6.6
149.13280	7.6
151.07687	3.5
154.08633	5.1
155.08607	8.7
157.10168	13.3
159.11710	18.0
161.13255	9.5
163.11243	3.9
163.14890	4.4
169.10036	5.5
171.11682	11.1
173.13264	15.1
175.11076	4.0
177.12752	5.2
183.11679	5.9
185.13306	5.2
187.14774	6.0
189.11194	7.9
193.12202	6.7
197.13182	4.5
199.13228	4.1
199.14955	4.5
211.14923	6.3
227.12787	13.7
234.08549	4.1
259.20547	5.1
261.22101	13.0
267.15921	21.9
285.22150	4.3
289.21658	4.1
291.19440	4.1
301.25327	8.0
327.22913	3.6
335.25781	16.2
435.32492	10.6
453.33670	12.3
471.34729	4.7
509.36285	6.7
527.37469	36.6
545.38513	40.6
559.39398	13.8
577.40869	7.2
577.51172	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	577.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.05516	33.1
57.07082	22.2
59.23257	2.2
62.81767	2.3
67.05506	55.1
68.05854	4.0
69.03423	2.5
69.07075	48.9
70.07405	4.1
70.54330	2.6
70.54669	7.2
71.05028	2.6
71.08638	13.5
79.05497	28.1
81.07063	100.0
82.07391	5.5
83.04976	4.1
83.08621	21.5
84.36412	2.2
85.10191	6.2
91.05471	24.8
93.07050	58.7
95.04965	4.5
95.08616	90.8
97.06511	5.3
97.10191	14.9
105.07037	37.9
107.08606	54.3
109.06535	2.5
109.10166	60.9
111.08095	6.1
111.11723	6.2
117.07022	5.9
119.08592	32.6
121.10149	51.5
123.08125	3.0
123.11737	27.6
125.09586	4.8
127.11211	3.0
128.17503	2.0
131.08582	14.0
133.10143	26.7
135.11702	31.2
137.09726	2.5
137.13243	7.9
139.11192	3.8
143.08597	4.3
145.10133	16.9
147.11694	20.7
149.13277	27.4
151.11238	3.6
151.14703	2.3
157.10120	7.4
159.11690	19.1
161.13234	16.7
163.14868	13.2
165.12723	3.4
169.10133	3.3
171.11668	7.6
173.13242	14.6
175.14796	10.1
177.16391	7.2
185.13222	5.3
187.14819	7.6
189.16396	9.1
199.14743	6.4
201.16386	8.3
203.18005	8.3
213.16339	3.7
215.18002	6.7
217.19566	4.4
227.17900	3.9
232.11874	2.4
239.23869	2.7
253.19394	2.8
255.20993	2.6
257.22690	3.1
265.25250	3.1
267.47437	2.5
319.86722	2.5
377.38181	2.8
559.48615	12.8
577.51416	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03950	0.8
55.01876	0.2
57.03412	0.2
57.07076	0.2
59.23515	0.1
70.06604	0.7
72.53333	0.1
75.04483	0.4
77.03936	0.3
78.12889	0.1
79.05499	1.1
81.03432	0.1
85.02891	0.1
85.06541	0.9
85.36588	0.1
86.09708	0.5
88.53827	0.1
95.04955	0.7
103.03954	0.7
105.04526	0.5
107.04960	100.0
108.05285	0.6
108.48531	0.1
121.04960	0.5
145.08603	1.3
161.06042	0.1
170.46579	0.1
176.78882	0.1
191.09229	0.4
229.10690	0.3
247.11742	0.2
259.86298	0.1
293.12320	0.4
345.01630	0.1
446.21338	0.1
578.32153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03952	1.8
55.01867	0.2
55.05512	0.2
57.03436	0.4
61.02917	0.5
67.05501	0.4
69.03444	0.9
69.07086	0.3
69.26872	1.6
72.99889	0.2
73.02908	0.2
77.03918	0.4
79.05499	0.4
81.03413	0.5
81.07046	0.7
84.90790	0.2
85.02905	4.3
87.04459	0.2
91.03959	0.2
91.05482	5.2
93.07044	7.1
95.04962	1.5
95.08610	0.7
97.02898	1.0
98.20769	0.4
99.04469	0.3
103.05463	5.3
105.04519	0.6
105.07034	0.4
107.04962	0.8
107.08621	0.2
107.86037	0.2
109.02891	0.4
109.10139	0.2
110.81641	0.2
119.08563	0.2
119.15954	0.2
120.94475	0.2
121.06506	100.0
122.06844	0.6
123.11703	0.2
127.03909	0.7
133.06511	0.2
145.04961	0.6
173.89767	0.2
180.08714	0.4
197.48430	0.2
209.56209	0.2
279.23511	0.2
309.25732	0.3
381.27298	0.2
399.28799	0.2
413.75113	0.2
578.46564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72085	1.4
53.03949	5.2
55.01876	3.3
55.05266	2.0
55.05513	18.5
57.03439	11.4
57.07071	5.4
57.07317	1.3
65.03940	4.6
65.47397	1.3
67.05510	91.4
69.03424	4.0
69.07074	16.8
69.23011	7.0
69.23431	6.4
71.04997	2.3
71.08643	1.6
74.11466	1.3
79.05501	43.3
81.03413	12.5
81.07059	100.0
83.04977	3.4
83.08630	11.3
85.02921	3.6
85.06537	2.9
85.10191	1.6
91.05486	28.0
93.07050	53.0
95.04976	5.1
95.08611	78.2
97.02916	3.6
97.06531	4.9
97.10165	6.4
98.98474	65.3
99.04462	4.4
99.08102	2.6
105.07039	21.7
107.04940	1.9
107.08604	34.9
109.02898	9.8
109.06521	1.7
109.10163	34.0
110.03687	3.3
111.04451	3.5
111.08095	2.9
113.09658	1.8
117.07030	7.3
119.08595	17.5
120.00366	1.7
121.10148	32.4
123.08088	1.9
123.11720	22.0
127.03926	4.6
131.08566	16.0
133.10135	15.6
135.11705	22.3
137.09662	1.9
137.13264	8.2
139.11177	3.3
143.08569	2.5
145.10127	12.3
147.11668	14.2
149.13274	18.3
151.14830	3.8
153.12796	2.3
155.01050	58.2
155.08455	1.8
157.10155	2.4
159.11679	13.0
161.13255	11.5
163.14758	10.3
165.12924	2.4
165.16293	1.7
171.11603	1.6
173.13264	14.6
175.14815	6.1
177.12723	1.8
177.16408	4.6
179.14348	1.9
187.14853	8.6
191.00113	3.8
201.16425	2.0
215.36142	1.6
233.22615	3.7
243.21115	24.1
245.22751	7.6
246.39885	1.5
261.22150	87.8
263.23694	17.8
279.23199	5.0
303.23248	1.7
305.58093	1.5
317.06287	6.5
335.25836	16.5
337.27356	39.0
353.26898	65.3
369.24078	2.2
425.28705	2.8
449.70575	1.7
451.21136	2.2
469.22418	1.9
561.27533	6.2
580.53857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01870	4.6
55.05514	17.0
55.95909	2.3
57.02235	2.4
57.03433	8.5
57.07069	6.0
65.03949	2.0
67.05510	88.9
69.03423	5.7
69.07069	17.4
69.87826	10.1
71.04993	3.3
71.08611	5.0
73.02905	5.7
77.03902	1.9
79.05500	48.9
81.03421	11.8
81.07061	100.0
82.07349	2.6
83.04974	3.8
83.08619	12.2
85.02903	3.9
85.06532	2.8
91.05486	24.6
93.07047	54.6
95.04953	3.8
95.08612	76.7
97.06520	5.5
97.10162	5.7
98.98473	52.7
99.04440	4.4
99.08107	3.5
105.07039	20.8
107.04954	3.1
107.08601	40.7
109.02890	8.8
109.06548	1.9
109.09474	3.5
109.10162	41.7
110.03690	2.6
111.04427	3.7
116.99483	2.0
117.07018	11.3
119.08600	20.4
121.10157	37.4
122.10511	2.3
123.08090	2.8
123.11724	18.4
127.03911	4.2
131.08588	20.3
133.10156	18.8
135.08087	2.7
135.11699	30.7
137.09595	4.9
137.13280	9.7
139.11131	3.5
143.08580	2.3
145.10126	16.4
147.11728	13.2
149.13275	17.4
151.11040	2.3
151.14821	3.2
155.01053	53.2
157.10121	4.5
159.11717	17.2
161.12009	1.9
161.13255	12.3
163.11180	2.7
163.14832	13.8
168.09473	2.0
169.10184	2.6
173.13290	15.6
175.14790	5.6
177.16383	4.1
184.29494	1.8
185.18716	2.1
187.14818	10.2
191.00081	3.2
197.13257	2.8
201.16364	3.8
233.22643	3.6
243.21082	31.0
245.22652	8.0
261.22147	92.5
263.23746	14.9
279.23178	6.7
303.23199	3.9
317.06378	7.0
317.24744	2.5
335.25836	22.3
337.27368	38.6
353.26883	78.9
354.27145	2.4
561.27625	4.5
561.37494	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01862	3.1
55.05512	17.7
55.76276	1.3
57.03430	11.2
57.07076	6.6
61.02921	1.7
65.03947	2.4
67.05507	93.7
69.03431	2.8
69.07068	18.6
69.53368	1.2
69.76366	1.2
71.04994	3.0
71.08611	1.5
71.48914	1.7
71.49337	2.2
73.02905	4.3
79.05495	39.8
81.03419	9.9
81.07059	100.0
83.04974	3.4
83.08629	10.7
85.02918	5.3
85.06544	2.2
91.05483	24.0
91.06032	2.1
93.07047	54.0
95.04993	4.6
95.08611	80.9
97.02892	2.0
97.06527	4.9
97.10149	6.8
98.98471	80.9
99.04469	1.5
99.08085	3.2
103.03870	1.5
105.07029	18.8
107.08596	37.3
109.02889	12.5
109.10165	38.4
111.04464	2.5
111.08070	4.0
113.09676	2.4
116.81605	1.5
116.99493	1.4
117.07016	10.5
119.08575	19.2
121.10144	27.2
123.08054	1.8
123.11710	25.1
125.09637	2.7
127.03918	4.6
131.08568	16.8
133.10143	16.9
135.11690	25.5
137.09648	3.2
137.13290	9.7
139.11244	3.2
139.15984	1.4
143.08592	2.3
145.10115	14.6
147.11728	11.9
149.13257	17.0
151.14818	6.1
153.12708	1.8
154.99759	3.8
155.01044	80.0
155.08659	1.5
159.11697	14.1
161.13283	11.2
163.11258	2.1
163.14835	13.5
165.12816	2.6
165.16446	3.1
173.13289	12.8
175.14845	5.5
177.16414	5.2
179.14154	1.7
187.14838	5.2
189.16388	2.7
191.00172	2.6
201.16374	2.8
205.15846	1.8
219.17310	1.5
233.22562	2.9
243.02734	1.7
243.21085	21.5
243.23398	2.1
245.22649	12.2
245.24872	2.0
261.22150	84.7
263.23734	22.2
279.23245	4.5
317.06201	9.8
319.26230	1.8
335.25879	15.1
337.27377	49.3
353.26889	57.3
369.24200	2.3
425.29013	2.4
460.81924	1.8
561.27429	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	579.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01881	1.1
55.05512	10.7
56.68709	0.8
57.03442	7.8
57.07082	4.5
59.04994	0.8
65.03934	1.9
67.05510	48.0
69.03451	1.1
69.07071	13.3
70.06622	0.9
70.37252	1.7
70.37619	1.5
71.05000	2.0
71.08630	2.4
79.05498	20.3
81.03418	10.8
81.07060	53.6
83.04974	1.7
83.08634	10.2
85.02894	1.0
85.06555	1.9
85.10183	1.0
91.05480	11.4
93.06485	1.6
93.07043	20.3
95.04966	2.4
95.08613	44.9
97.06544	3.1
97.10187	4.7
98.98473	100.0
99.04441	2.5
99.08151	0.9
105.07047	10.6
107.04955	1.2
107.08593	9.1
109.02892	7.0
109.06510	1.4
109.10156	20.6
111.08082	2.3
111.11734	1.0
113.09682	1.0
116.99476	1.3
117.07036	1.1
119.08591	8.7
121.09351	1.0
121.10156	13.1
123.08097	1.1
123.11719	9.0
125.09626	2.2
127.11195	1.7
131.08554	3.0
133.10127	7.8
135.11714	4.9
137.09618	1.9
137.13286	5.7
139.11189	2.0
145.10126	1.8
147.11673	5.2
149.13283	5.0
151.11224	1.2
151.14818	4.5
155.01050	93.8
155.65196	0.8
159.11696	1.3
161.13339	4.5
163.14819	2.9
165.16379	2.6
173.02159	1.0
175.14796	3.6
177.16354	1.2
179.14297	0.8
179.18021	1.5
181.15895	1.3
189.16312	1.5
204.63058	0.9
206.35129	0.9
225.01546	1.0
243.02647	3.1
245.13890	2.9
245.22675	13.2
253.73145	0.9
263.23727	24.1
299.05444	1.5
301.16473	1.3
317.06390	10.3
319.26263	1.9
335.25754	1.6
337.27396	63.7
407.27948	2.0
425.28778	3.0
480.08984	0.9
561.28680	1.7
561.36841	2.0
579.31000	8.7
579.38373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01885	2.2
55.05317	1.5
55.05515	15.4
57.03434	11.3
57.07066	6.3
65.03941	2.5
67.05506	71.6
69.07071	17.5
71.04977	2.6
71.08617	3.3
71.48442	1.9
71.49086	1.6
73.02894	2.3
79.05494	28.1
81.03422	12.0
81.07057	78.8
83.04963	1.6
83.08617	11.2
85.02909	3.5
85.06515	1.6
91.05473	19.2
93.07048	35.7
95.04993	2.1
95.08613	61.2
97.06531	5.5
97.10186	6.2
98.98469	100.0
99.04455	2.8
99.08105	1.8
105.07021	14.3
107.08591	21.1
109.02885	8.5
109.10157	33.8
109.10852	3.2
111.04426	2.2
111.08080	3.5
112.35694	1.4
117.06999	3.8
119.08585	12.4
120.00148	1.7
121.10155	20.0
123.11713	16.4
127.03899	2.4
131.08551	9.5
133.10135	11.8
135.11708	17.3
137.13264	6.0
145.10156	5.8
147.11652	10.2
149.02390	8.4
149.13240	9.7
151.14824	6.3
155.01044	91.0
159.11694	6.9
161.13297	7.3
163.14845	6.7
165.16315	2.1
173.13301	6.4
175.14908	4.7
177.16345	2.0
179.14377	2.4
187.14796	3.1
193.04956	3.5
203.17940	1.6
242.56711	1.9
243.02579	2.2
243.21194	9.9
245.22643	11.0
261.22147	36.6
263.23703	23.0
279.23013	1.9
303.23035	1.6
303.44540	1.5
317.06183	10.1
319.26581	2.3
335.25769	7.4
337.27350	60.7
338.27692	1.9
353.26871	26.2
386.99313	1.6
425.28986	2.9
561.27667	4.3
579.13953	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
53.82954	3.6
55.05515	19.3
57.03437	10.5
59.22379	3.1
61.02919	4.7
67.05502	29.1
69.03416	6.3
69.07064	20.0
69.23643	30.9
70.06592	7.7
71.04983	10.7
75.03774	3.6
79.05480	23.7
80.13519	3.6
81.03395	10.8
81.07058	33.8
82.15938	3.6
83.04981	8.1
83.08604	8.7
85.02911	6.6
85.28300	3.4
86.09709	7.2
91.05489	16.7
93.07042	19.0
95.04965	10.9
95.08589	16.3
97.02872	5.3
97.06519	21.0
97.10171	12.4
99.08037	4.7
101.74409	3.9
105.07034	11.5
106.06552	3.6
107.04951	27.2
107.08599	15.8
109.06509	9.1
109.10170	7.8
115.07581	6.6
117.07018	9.2
119.08579	12.6
121.06487	7.9
121.10212	4.8
123.08073	15.9
125.09590	8.6
129.07057	4.1
131.04926	13.2
131.08556	10.6
133.10124	9.6
135.08063	5.2
135.11688	8.2
137.09596	3.9
143.08566	5.6
147.08052	5.6
147.11699	4.1
149.13271	3.7
157.10126	6.5
159.11717	4.1
161.09642	4.3
163.11147	4.2
177.12810	4.0
181.12247	4.4
189.11131	5.4
196.96196	3.2
214.15964	7.4
227.12846	8.6
255.17450	3.9
269.17502	7.5
273.18558	20.9
291.19562	28.4
309.20563	3.9
332.94485	3.5
344.25851	61.2
345.27405	3.8
347.22391	5.7
349.89731	3.4
365.23334	28.0
367.40289	3.8
383.24295	56.2
418.29333	5.7
580.34790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
54.13117	4.2
55.01416	5.1
55.01865	15.3
55.05516	26.3
57.03441	23.4
61.02918	7.5
62.06091	5.7
65.03941	6.3
66.69969	3.9
67.05505	73.0
69.03433	20.1
69.07072	55.5
69.26470	3.9
70.06580	19.4
71.05003	20.8
71.48655	8.5
72.08147	6.6
73.02910	7.0
73.48994	4.4
76.19453	3.9
79.05491	57.2
81.03438	29.0
81.07063	82.7
83.04993	7.9
83.08620	17.2
84.04502	6.8
84.08130	5.9
85.02911	23.0
85.06556	9.2
86.06061	18.0
86.09697	9.1
91.05482	61.0
93.07046	66.2
95.04953	19.4
95.08617	31.8
97.02889	13.1
97.06529	81.6
97.10188	4.7
98.09686	4.5
99.04498	7.1
99.08095	10.5
100.11259	13.1
103.05467	9.4
105.07043	38.0
107.04963	71.8
107.08586	39.7
108.08181	4.8
109.02860	7.7
109.06538	24.7
109.10197	13.6
111.04457	6.5
111.08108	10.6
113.06084	6.7
115.07565	25.9
117.07037	27.6
119.04927	5.1
119.08581	30.2
120.08042	4.9
121.06473	20.3
121.10130	20.8
123.08069	8.4
123.11741	5.0
125.09624	10.0
127.03941	8.5
129.06981	10.6
130.16716	4.1
131.04926	43.4
131.08549	30.0
132.05182	4.3
133.06540	7.2
133.10130	18.8
135.08061	14.7
135.11684	12.4
137.05952	8.8
139.11209	5.2
143.08566	8.1
145.04974	6.0
145.06416	7.4
145.10156	16.4
147.08066	7.2
147.11732	10.3
149.09621	9.4
149.13275	19.4
155.53395	5.0
157.10123	9.0
159.11728	27.1
161.09642	14.4
161.13275	5.5
163.11180	8.5
167.07123	5.6
171.11687	5.7
173.09589	5.1
177.12750	18.2
185.13190	4.8
195.13786	8.4
198.11249	63.5
199.14854	6.4
207.09042	6.4
208.09541	8.8
214.15874	8.7
217.15938	5.0
227.12720	5.0
227.17874	5.7
245.19038	5.7
255.17589	5.8
269.17496	91.7
273.18515	36.4
285.85342	3.9
291.19543	25.9
295.19406	5.6
297.16837	5.8
309.20572	4.6
324.14322	5.7
342.15512	6.1
344.25833	31.4
347.22177	10.5
360.16531	57.0
365.23245	49.5
375.94968	4.4
378.99622	4.0
383.24261	17.3
418.29599	10.7
466.20709	8.4
474.23294	6.0
509.88156	4.9
537.40314	8.7
580.25409	6.0
580.34863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78863	6.5
55.01862	16.1
55.05499	30.0
57.03432	23.6
57.74307	7.5
61.02919	11.3
67.05504	100.0
69.03428	13.4
69.07069	67.3
69.73636	37.9
70.06596	18.1
71.04992	12.4
72.89272	7.3
76.19795	6.7
76.77786	8.5
79.05500	60.3
81.03416	27.4
81.07056	90.6
83.05022	13.8
83.08617	18.8
85.02901	17.8
86.09724	9.5
88.75013	8.3
91.05482	79.8
93.07036	70.2
94.89193	8.1
95.04980	19.9
95.08601	53.2
97.02908	15.9
97.06523	25.2
97.10161	15.3
103.05453	8.4
105.07037	57.0
107.04950	95.6
107.08598	28.1
108.05324	12.0
109.02883	11.9
109.06525	7.7
109.10155	63.7
109.17887	7.2
117.07027	22.8
119.08572	33.0
121.06532	11.1
121.10150	23.7
123.04394	8.4
123.08077	16.0
123.11590	8.1
125.05989	9.1
127.03884	9.7
129.07025	18.5
131.04907	12.9
131.08553	18.7
133.10146	30.5
135.11729	14.3
137.09651	14.9
145.10139	17.3
147.11690	25.4
149.09621	21.2
150.80600	7.8
151.11162	8.9
159.11722	17.8
161.13281	8.3
166.42580	8.2
171.10258	13.0
173.11768	17.1
173.13248	11.1
177.12733	10.0
179.14366	9.4
229.14339	30.0
239.18016	11.1
243.15927	9.4
255.15956	11.6
257.18961	12.8
269.17502	8.8
275.19986	44.9
341.69632	10.3
349.23743	93.9
351.89923	7.3
356.50552	7.2
434.15771	8.8
441.12772	8.2
489.26416	7.6
489.34207	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	580.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.84169	0.7
57.20912	0.5
67.05498	1.2
69.48122	3.7
69.48556	1.0
79.05488	2.3
81.03429	1.1
81.07036	1.5
84.46806	0.6
93.07056	2.0
95.04991	1.2
95.08620	1.2
98.21523	0.8
105.04520	0.7
105.06977	0.8
107.04961	100.0
107.08624	1.2
108.05257	0.7
109.10098	0.7
121.10165	0.9
133.06500	0.7
133.10164	0.7
134.98013	0.6
145.06523	0.8
157.06500	1.0
161.09669	1.1
185.09579	0.9
185.42468	0.5
210.67953	0.6
213.12813	0.6
235.17046	0.7
277.21802	1.3
329.97812	0.7
365.25092	1.1
383.25937	3.0
407.86411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74327	2.1
55.05514	24.5
57.03441	10.1
57.07076	4.0
65.03941	3.4
67.05183	3.5
67.05511	47.0
69.07076	20.2
69.41451	5.4
69.41868	11.8
71.04998	3.9
71.08617	2.5
79.05492	27.3
81.03421	2.4
81.07059	54.9
82.07423	2.9
83.04972	3.3
83.08623	14.3
85.06583	2.0
85.10169	2.9
91.05474	12.5
93.06488	3.5
93.07050	38.1
95.04988	5.1
95.08612	48.1
97.06552	7.1
97.10167	8.4
99.04464	3.0
104.23858	2.4
105.07027	15.2
107.04955	5.8
107.08591	28.5
109.06510	3.6
109.10159	12.6
117.07018	4.4
119.08595	16.1
121.06548	2.9
121.10151	15.7
123.11713	7.0
131.08553	3.2
133.10144	7.5
135.11713	27.9
137.13258	2.2
139.07585	2.2
145.10158	20.2
147.11710	5.8
149.13199	2.4
157.10187	2.9
161.13275	2.4
163.11201	35.7
181.12303	4.8
197.20857	2.0
223.06731	2.0
227.12796	50.9
227.14955	3.3
250.14240	2.6
263.23703	3.2
283.15393	31.5
285.16904	6.2
329.64316	2.4
335.25821	8.5
337.27383	100.0
355.02344	2.3
503.37488	2.5
530.39233	3.8
545.38458	52.8
548.40363	3.1
580.39282	5.1
581.40118	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	581.1503
Annotation	NSC641260
Peak:m/z	Relative Intensity
57.03432	3.2
61.02909	0.9
62.50919	0.4
67.23070	0.3
68.99790	0.6
69.03413	0.9
70.06606	1.4
70.06908	0.3
71.39876	0.5
72.08134	0.6
73.02523	0.4
73.02920	6.9
81.03429	0.4
84.04515	0.5
84.08113	0.6
85.02905	1.0
86.09713	2.6
91.05489	0.4
97.02901	0.5
98.21608	0.4
107.04945	1.3
109.02869	0.6
111.00814	0.6
115.03878	0.7
119.62917	0.3
120.08067	0.5
121.02856	2.3
127.03909	0.4
127.55412	0.3
133.02820	0.5
147.04451	0.5
153.01802	2.8
157.06459	0.3
165.01843	1.7
175.16524	0.3
183.02924	0.5
197.06044	0.5
197.62181	0.3
208.98511	0.3
213.05505	1.2
225.05548	0.7
231.06511	0.5
239.06926	0.8
240.07872	0.5
241.05028	0.8
245.18604	0.5
257.08105	1.7
258.05289	1.0
269.04495	0.5
273.05847	0.8
287.05505	100.0
288.05869	0.9
306.98911	0.3
380.97107	0.3
419.13361	1.2
449.04721	0.4
449.10828	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.05512	20.0
57.03437	4.1
57.07069	7.7
65.03938	5.2
67.05507	33.2
69.03433	10.1
69.07065	27.2
69.80174	10.9
69.80592	3.8
71.04980	3.9
72.85006	2.7
74.19090	2.1
79.05489	22.8
81.03425	4.4
81.07051	41.1
83.04979	5.7
83.08618	22.0
85.06566	4.5
89.90899	2.8
91.05491	33.8
93.07044	50.4
95.04958	12.4
95.08621	39.5
95.27267	2.3
97.06544	5.1
97.10183	5.6
98.98464	48.5
98.99054	3.8
103.05455	4.1
105.07034	55.2
107.04960	43.9
107.08593	36.7
107.09240	4.3
109.02841	2.8
109.06523	9.9
109.10139	24.2
111.11765	3.3
113.09645	2.9
115.05469	5.6
117.07046	9.7
119.08584	43.4
121.06514	7.3
121.10148	60.4
123.08086	15.8
123.11717	8.1
125.09617	5.0
128.06252	9.3
129.07048	12.6
129.07953	2.2
130.07800	3.3
131.04933	15.4
131.08572	26.5
133.06454	7.0
133.07469	3.2
133.10146	69.4
133.11121	5.2
135.08037	13.3
135.11713	19.4
137.09616	9.0
138.55931	2.3
141.07031	7.1
142.07793	12.9
143.08553	25.0
144.05664	3.0
145.06514	7.8
145.10144	37.5
147.08052	13.4
147.11710	12.4
149.09621	21.2
149.13312	4.4
151.07593	9.6
155.01060	41.9
155.02228	4.0
155.07533	2.7
155.08609	11.0
156.09386	10.1
157.06586	4.2
157.10127	29.1
158.07390	2.5
158.10936	7.7
159.08060	9.7
159.11650	17.9
159.83563	2.4
161.09610	9.5
161.13286	6.5
163.11252	7.2
165.07048	5.5
165.09129	22.7
167.08563	6.2
167.10686	49.4
168.09268	6.1
169.06558	7.2
169.10139	14.6
170.10898	5.0
171.08076	5.9
171.11714	18.2
172.12547	4.0
173.06047	3.2
173.09666	8.6
173.13264	25.2
175.11243	3.8
175.14816	6.4
179.08604	6.2
180.09326	3.9
181.06514	3.1
181.10175	11.4
181.12238	4.5
182.10959	8.4
183.08032	6.0
183.11688	17.0
184.12491	3.4
185.09592	5.2
185.13312	7.9
187.07533	2.8
187.11217	7.1
187.14870	10.5
189.12781	8.2
191.14336	3.2
193.10170	7.6
194.10948	4.8
195.07994	4.0
195.11778	12.8
196.12299	2.8
197.06041	18.0
197.09727	4.3
197.13321	13.1
199.07561	5.3
199.14861	9.7
201.16458	4.1
203.14363	5.7
205.10185	3.7
206.10944	4.5
207.08168	3.0
207.11768	12.5
207.13644	5.0
208.12468	4.4
209.09647	4.8
209.13205	13.6
211.11304	4.0
211.14828	7.9
213.12862	4.9
215.14400	6.4
216.06839	2.4
217.10190	4.6
218.10802	3.0
220.12607	4.5
221.13307	11.0
221.15451	48.6
222.14027	3.5
223.14839	5.8
225.12758	3.7
225.16273	4.5
231.11829	3.3
232.12735	3.5
233.13268	5.3
233.15430	21.8
235.14870	6.8
235.17122	3.6
237.16408	7.1
239.14316	3.7
239.18053	5.6
241.19638	3.6
245.13234	3.3
246.14008	4.2
247.14821	5.1
249.12885	3.5
249.16420	4.3
251.14334	3.1
251.18074	4.8
259.14981	5.0
261.16440	4.0
263.18057	3.9
263.55548	2.6
265.25388	7.2
273.16302	3.2
274.13239	2.6
281.19223	3.1
285.09204	4.8
293.18884	3.9
295.20737	3.4
317.06342	3.6
339.28900	44.7
347.23444	3.8
359.23779	3.7
365.24619	3.0
373.25421	4.3
393.24268	7.5
407.29736	4.0
407.45572	2.6
433.27542	2.8
563.31146	9.8
563.39191	19.1
581.32764	9.1
581.40070	100.0
588.11523	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	582.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03946	1.1
55.01870	0.4
69.65218	0.7
70.06585	0.4
72.08158	0.1
77.03924	0.3
79.05494	1.2
81.03425	0.2
81.07013	0.1
83.97111	0.1
84.08151	0.2
85.02924	0.2
89.03900	0.3
95.04977	1.1
95.81694	0.1
105.04522	0.4
107.04960	100.0
108.05283	0.9
117.03397	0.4
118.51317	0.1
131.04944	0.2
133.59018	0.1
135.04469	0.7
137.02350	3.0
145.02884	0.5
147.04404	0.2
159.04434	1.7
163.03912	6.4
177.05521	0.2
269.08136	0.5
455.67746	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	582.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.1
51.02371	0.4
53.03946	1.0
55.01875	0.3
69.59680	0.6
70.06590	0.6
77.03928	0.3
79.05502	1.2
81.03429	0.3
84.08138	0.2
85.02926	0.2
86.09701	0.4
89.03912	0.3
95.04936	0.8
95.07670	0.1
97.02903	0.1
105.04526	0.4
107.04958	100.0
108.05286	0.8
117.03381	0.3
120.08094	0.4
135.04424	0.5
137.02348	2.0
141.29720	0.2
145.02859	0.4
147.04449	0.1
147.39400	0.1
159.04433	0.8
163.03906	5.9
163.05267	0.3
171.81334	0.1
175.03925	0.2
183.00410	0.2
185.95697	0.1
269.08044	0.9
287.05466	0.3
288.05801	0.2
314.60458	0.2
453.33871	0.2
492.29254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02997	0.6
69.59367	3.8
70.06595	5.3
72.08142	1.1
79.81536	0.5
85.02892	1.1
86.09685	1.5
98.20789	1.2
107.04942	4.7
108.12549	0.6
116.07062	0.8
129.10303	0.6
130.61765	0.6
145.06430	0.6
147.04424	0.9
149.20140	0.6
169.06476	3.0
173.06047	0.7
173.13120	0.7
187.07564	1.6
197.05977	10.2
215.07043	3.9
225.05475	4.7
243.06526	36.7
258.08881	100.0
259.09219	1.4
272.69214	0.6
288.05740	0.9
467.25970	1.0
582.32849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
52.74754	0.2
53.03935	1.1
58.44331	0.2
65.57999	0.2
66.42509	0.2
70.10817	0.2
71.09765	0.6
76.51884	0.3
77.03934	0.3
79.05479	1.0
95.04974	0.7
105.04513	0.5
107.04957	100.0
108.05339	0.4
198.11337	0.7
213.09113	0.7
216.12369	0.7
226.98698	0.3
253.96809	0.3
255.53168	0.3
348.15469	0.3
529.82428	0.3
595.49231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
63.08614	0.4
70.85869	1.1
79.05499	1.1
95.04986	0.8
99.30460	0.5
107.04957	100.0
108.05287	0.6
207.53429	0.4
213.09181	0.8
243.39761	0.4
277.25314	0.3
556.45679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
53.03950	0.9
55.01874	0.2
59.34081	0.1
62.09042	0.2
62.09344	0.2
62.93342	0.2
69.22098	1.7
77.03914	0.2
79.05495	1.1
91.05499	0.2
95.04978	0.9
105.04514	0.5
107.04960	100.0
108.05280	0.4
119.04941	0.5
137.06006	0.2
137.42319	0.2
139.41428	0.2
141.73747	0.2
155.54466	0.2
213.09106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03934	1.2
55.01877	0.5
55.05490	0.3
55.79093	0.3
59.43479	0.3
62.06080	0.6
67.05492	0.5
69.03422	1.0
70.06604	2.2
70.14127	0.6
70.14472	1.1
70.30993	0.4
71.08630	1.0
72.08133	0.6
73.02927	0.4
79.05497	1.8
81.03402	0.6
81.07056	1.7
82.95094	0.3
83.08635	0.4
85.02918	0.6
86.06068	6.7
86.09727	0.5
89.61938	0.4
91.05450	0.4
93.07050	1.0
95.04966	1.3
95.08624	0.5
96.08124	0.6
97.02897	0.8
98.09692	0.6
99.04475	0.6
99.08090	0.6
101.02375	0.9
105.04523	0.7
105.07014	0.6
107.04957	100.0
109.06529	2.0
111.08068	1.7
112.03044	0.4
116.10751	2.5
117.06940	0.3
121.08928	0.4
124.07596	0.4
124.11332	0.4
127.03977	0.5
134.09692	0.9
137.05994	2.0
142.12280	1.1
143.10635	1.9
147.11694	0.5
152.10710	0.8
163.06282	0.5
170.11742	1.8
180.10237	1.1
184.07443	0.5
189.12944	0.4
196.95259	0.5
198.11258	39.9
216.12315	34.3
270.48062	0.4
296.18607	1.0
314.19632	7.1
346.27661	0.9
360.16501	1.2
378.17664	0.8
393.05630	0.4
402.14871	0.4
420.24084	0.5
420.31125	0.6
421.05313	1.7
448.93295	0.4
466.20676	0.5
484.21521	0.9
564.28229	1.1
582.28461	0.5
582.36517	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	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.05513	28.8
57.03443	19.4
57.07062	7.8
61.34860	2.2
67.05509	67.9
69.03423	5.1
69.07076	28.3
69.12668	7.0
69.13076	18.7
71.04980	5.2
79.05502	32.2
81.03423	53.1
81.07061	71.3
83.04994	10.6
83.08629	25.8
85.02914	17.3
85.06532	3.6
87.04442	3.4
91.05495	29.6
91.59484	2.7
93.07053	30.8
95.04968	22.4
95.08611	47.5
97.06541	5.1
97.10169	8.7
99.08065	3.4
105.07037	31.0
107.04955	5.5
107.08584	18.9
109.06520	4.8
109.10141	18.6
111.04463	3.7
111.08085	8.9
117.07031	4.1
119.08575	27.3
121.06507	3.0
121.10147	16.0
123.08088	4.2
123.11729	10.5
129.07036	9.0
131.08553	11.9
133.10158	14.2
135.11713	7.9
137.09636	6.0
142.07776	5.6
143.08601	4.2
145.10141	8.7
147.08041	4.8
147.11639	15.0
149.09613	7.1
149.13234	3.0
157.10182	15.3
161.13246	5.8
165.09181	3.9
169.10106	3.4
171.11595	2.6
175.11182	12.5
175.14967	2.5
183.11687	2.7
187.14757	2.8
193.12273	36.4
211.13286	50.7
221.15363	8.9
245.22633	2.8
261.28403	2.5
263.23788	3.3
267.15970	11.7
283.26260	26.0
285.16968	45.6
314.86047	2.6
337.27390	100.0
529.38690	8.6
547.39978	95.3
582.40527	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	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.8
57.03431	14.8
57.07063	9.3
67.05504	60.5
67.36210	4.6
69.07077	34.7
70.05343	7.2
70.05739	13.5
71.04994	6.7
77.11175	4.9
79.05492	37.8
81.03413	47.7
81.07052	65.7
83.04975	15.4
83.08620	39.6
85.02884	23.3
85.06527	4.6
87.04465	7.9
89.06045	11.5
91.05470	36.7
93.07036	36.4
95.04951	29.1
95.08607	49.7
97.10167	11.4
105.07022	29.0
107.04996	9.4
107.08591	21.2
109.10136	19.5
111.08086	14.2
119.08582	31.5
121.10152	23.9
123.11701	8.4
129.07007	11.7
131.08562	13.1
133.10124	18.3
135.08093	6.0
135.11653	6.7
137.09621	5.1
137.13255	6.0
142.07793	6.3
143.08566	6.9
145.10104	15.0
147.11711	20.2
149.09619	5.6
156.09169	4.4
157.10170	23.5
159.11711	5.5
165.09120	5.5
169.10069	6.4
173.13319	8.4
175.11166	18.0
183.11703	7.3
186.19614	5.1
187.14790	5.9
193.12280	48.5
195.11697	6.2
211.13274	64.6
221.15433	14.5
242.40628	5.7
267.15936	12.8
274.75003	4.8
283.26331	5.1
285.16956	49.5
337.27365	77.5
341.61984	5.3
547.39923	100.0
582.40332	50.2
583.41248	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05518	7.7
57.03435	1.5
57.07079	8.9
59.05012	4.1
63.66560	1.4
65.03952	2.3
67.05499	21.2
69.03435	6.5
69.07072	8.4
71.04996	2.1
76.73921	1.5
79.05497	16.8
81.07063	22.0
83.04958	2.7
83.08624	6.0
85.06565	3.7
91.05479	25.2
93.07047	42.4
95.04980	5.6
95.08611	33.0
97.06525	2.5
97.10179	1.5
103.05488	2.2
105.07034	46.1
107.04953	2.5
107.08602	27.1
109.06529	6.6
109.10171	11.0
111.08051	2.0
114.86108	1.3
117.07039	6.6
119.08586	38.9
121.06547	4.2
121.10144	26.5
123.08075	15.9
123.11695	3.6
125.05977	1.7
127.48664	1.6
128.06239	4.2
129.07047	5.6
130.07773	3.8
131.08560	15.9
133.06502	3.4
133.10135	21.1
135.08047	9.8
135.11719	8.3
137.09633	11.8
139.07484	1.7
139.11266	1.8
141.07057	3.9
142.07791	12.0
143.08568	19.3
144.09354	2.3
145.10138	24.8
147.08064	19.6
147.11665	7.3
149.09634	4.6
151.07535	20.6
154.07877	1.6
155.08534	7.9
156.09369	7.6
157.10141	31.7
157.11337	2.9
158.10953	2.2
159.08075	3.0
159.11716	18.2
161.09613	4.2
161.13301	7.5
163.11224	6.5
165.07030	3.6
165.09128	44.9
167.08572	5.0
168.09309	3.1
169.10112	14.5
170.10909	3.5
171.11690	18.5
172.12424	2.2
173.09624	2.4
173.13286	8.7
175.11234	1.8
175.14844	5.4
179.08575	4.0
179.10735	1.8
180.09383	3.6
181.10101	7.4
181.12289	2.6
182.10847	2.4
183.11681	13.6
185.13243	12.9
187.11223	1.7
187.14812	5.4
189.12718	8.1
191.14371	3.7
193.10155	5.9
194.10933	5.1
195.11673	11.0
196.12486	4.2
197.13237	15.6
198.14024	1.8
199.14905	4.9
201.16389	2.7
203.14297	18.3
205.10146	2.4
206.10910	3.9
207.11772	7.6
207.13864	8.6
208.12555	5.2
209.09698	1.6
209.13251	15.7
211.14861	6.9
213.12924	2.2
213.16531	3.2
215.14380	1.8
217.10115	2.2
217.15929	1.9
218.10941	1.9
219.11742	4.0
220.12553	2.0
221.13293	8.4
221.15358	70.1
222.15854	2.7
223.14812	7.4
225.16508	2.8
227.14435	2.8
231.11638	2.4
231.17560	2.6
232.12358	1.8
233.13220	2.9
235.14885	6.5
237.16441	3.3
239.14388	2.1
239.18004	4.1
244.63240	1.6
245.13231	3.8
246.14000	2.9
247.14894	3.0
249.16544	4.3
251.18095	3.3
253.19473	2.7
257.19223	1.9
259.14917	3.8
261.16422	4.4
263.18042	2.1
265.19504	5.4
271.20505	2.1
275.17905	3.0
277.19614	3.4
279.21030	3.0
283.20633	3.2
287.20270	3.2
295.20538	4.1
297.22107	4.3
317.23010	1.7
341.30447	2.5
348.24216	1.9
349.25531	2.2
357.25623	1.9
365.24692	2.0
375.26904	5.9
385.28931	1.7
403.29929	10.4
491.35226	2.4
503.35345	6.8
509.33865	2.2
547.39551	3.3
565.40399	32.3
583.41528	100.0
584.41638	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.8
55.05518	14.6
57.07071	11.3
65.03934	3.3
67.05511	19.8
69.03423	7.3
69.07072	20.5
70.98827	7.9
73.50320	2.6
79.05502	22.2
81.07060	33.0
83.04989	2.9
83.08627	7.6
85.06561	7.0
87.04462	2.5
91.05484	43.1
93.07050	55.4
95.04984	10.3
95.08620	35.4
97.06502	4.2
103.05482	6.3
105.07039	68.5
107.08610	41.0
109.06548	8.9
109.10130	16.7
115.05473	5.9
117.07050	18.3
119.08584	71.4
121.10139	42.5
123.08057	14.9
123.11722	6.7
125.05952	2.9
125.09634	4.1
128.06248	11.0
129.07019	14.3
130.07840	4.5
131.08571	27.0
133.06483	4.4
133.10144	36.8
135.08086	7.7
135.11725	13.7
137.09636	11.4
141.06995	10.4
142.07820	19.5
143.08566	35.8
144.09351	6.8
145.10123	45.1
147.08093	14.5
147.11728	9.8
149.09677	6.2
149.13300	3.9
151.07607	15.7
153.07034	5.7
155.08615	15.3
156.09373	13.6
157.10149	48.2
158.10811	5.5
159.08070	5.0
159.11684	26.1
161.09625	5.6
161.13269	5.2
163.11200	6.0
165.07076	6.2
165.09131	30.6
166.07727	4.5
167.08566	13.5
167.10640	14.6
168.09364	6.3
169.10091	25.0
170.10939	9.7
171.11725	32.2
173.09674	5.0
173.13280	19.4
175.11261	5.7
175.14844	8.6
179.08598	11.5
180.09380	5.3
181.10150	12.2
181.12283	5.3
182.10936	7.4
183.11716	26.6
184.12529	4.7
185.13298	18.5
187.11237	5.1
187.14796	6.6
189.12798	5.1
191.14371	6.8
192.09315	4.1
193.10152	11.1
194.10953	14.7
195.11719	19.3
196.12474	5.1
197.13287	20.9
199.14769	18.0
201.16446	4.5
203.14391	12.2
205.10191	3.8
206.10933	8.3
207.11775	19.4
207.13693	5.1
208.12431	4.8
209.13307	25.8
211.14848	11.2
213.12994	3.5
213.16472	3.5
218.10956	5.4
219.11775	8.7
219.78961	2.9
220.12593	4.4
221.13301	15.5
221.15451	54.7
222.14011	3.4
223.14828	14.4
225.16418	6.8
231.11694	6.6
232.12477	5.0
233.13289	11.7
233.15436	7.5
235.14890	8.1
236.15744	3.1
237.16473	8.8
239.18037	5.3
242.00864	3.6
244.12534	3.1
245.13298	9.0
246.14070	4.6
247.14885	11.4
248.15688	3.4
249.16470	8.0
251.18018	8.8
254.79228	3.1
257.19128	9.0
258.14056	5.1
259.14868	7.9
261.16479	9.1
263.17941	4.9
265.19550	7.4
269.19019	3.3
271.14984	3.8
273.16290	4.7
275.18066	9.1
277.19540	3.5
281.19043	4.2
283.20566	14.7
287.20538	3.4
289.19443	3.6
295.20624	3.6
300.21033	4.2
349.25229	5.3
357.81165	2.8
365.25000	3.3
375.26868	5.0
403.30029	6.3
491.35181	4.7
503.35229	4.5
547.39563	3.8
565.40369	26.5
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
53.03932	7.5
55.05518	16.9
57.07071	16.9
59.04993	4.1
65.03939	4.0
67.05506	28.6
69.03436	11.2
69.07066	20.2
69.25900	16.1
77.03883	2.9
79.05066	3.4
79.05491	38.0
81.06592	3.0
81.07055	40.0
83.04990	9.3
83.08624	11.8
85.06535	8.7
91.05476	55.0
93.07043	69.0
95.04958	14.5
95.08603	43.8
97.06517	6.4
103.05497	4.1
105.04519	2.1
105.07030	96.5
106.07847	2.6
107.08593	53.5
107.79239	1.7
109.06519	13.7
109.10152	24.0
111.08077	4.1
115.05462	6.6
115.43615	1.9
117.06996	22.6
119.08585	99.1
121.06513	6.5
121.10143	57.7
123.08066	20.3
123.11691	5.6
125.05982	4.6
125.09643	3.5
128.06224	20.3
129.07002	21.3
130.07777	9.5
131.08569	45.5
133.10123	51.2
135.08075	17.2
135.11685	16.9
137.09610	15.1
139.11168	3.3
141.06967	14.7
142.07771	37.4
143.08560	50.3
144.09329	8.6
145.10120	63.8
147.08054	16.7
147.11684	21.4
149.09659	9.6
149.13240	5.1
151.07550	18.4
152.06232	2.4
153.07027	5.8
154.07820	6.5
155.08559	24.3
156.09352	23.5
157.10135	70.7
158.10924	12.1
159.11690	29.7
161.09605	7.6
161.13234	13.1
163.11133	8.9
165.07018	12.1
165.09103	37.0
166.07820	7.2
167.08528	14.3
167.10692	12.0
168.09349	11.6
169.10123	34.7
170.10954	11.4
171.11682	43.7
172.12494	2.9
173.09662	5.2
173.13249	29.2
175.11194	5.9
175.14803	11.2
177.09122	2.7
178.07820	2.9
179.08527	23.4
180.09343	8.9
181.10135	22.8
181.12204	8.2
182.10919	12.0
183.08139	1.9
183.11687	34.8
184.12521	9.2
185.13252	25.9
186.13974	2.1
187.11194	5.6
187.14844	7.0
189.12752	7.2
191.14302	9.3
192.09378	8.1
193.10083	18.3
194.10927	15.6
195.11700	29.7
196.12434	11.4
197.13254	24.2
198.14085	2.0
199.11226	2.7
199.14851	18.7
201.12798	2.5
201.16418	3.3
203.14291	16.9
205.10150	7.4
206.10904	10.4
207.11710	22.8
207.13852	6.5
208.12502	10.1
209.13257	30.4
210.14018	4.7
211.14864	16.3
213.12744	2.9
213.16397	4.7
215.14380	4.2
217.10168	5.8
217.15881	13.5
218.10985	6.3
219.11722	10.3
220.12465	8.2
221.13264	18.5
221.15404	77.6
222.14040	7.1
223.14795	19.4
225.12738	3.3
225.16451	9.2
227.14272	3.4
227.17923	2.7
229.10210	2.3
229.15898	2.9
230.10962	2.0
231.11671	9.4
231.17487	4.0
232.12549	6.5
233.13263	16.8
233.15379	5.8
234.14027	5.5
235.14848	17.4
235.17029	3.2
236.15584	4.1
237.16393	13.0
239.18022	5.5
241.15833	2.3
243.11777	4.1
244.12527	4.8
245.13220	12.0
246.14088	6.8
247.14832	13.2
247.17053	3.4
248.15750	3.4
249.16389	14.6
250.17227	3.8
251.17989	6.5
256.12515	2.7
257.13379	2.7
257.18875	9.2
258.13885	2.2
259.14880	8.1
260.15585	5.7
261.16360	14.4
261.18726	2.4
262.17191	2.1
263.17911	10.2
265.19574	9.5
269.19037	6.2
271.14941	3.6
272.15552	3.2
273.16351	6.4
274.16980	3.6
275.17960	15.7
276.18796	3.0
277.19589	6.9
279.17596	1.9
279.21027	3.0
281.18991	4.9
283.20566	18.6
285.16193	2.9
287.17670	2.7
287.20477	3.1
288.18735	3.0
289.19431	5.8
291.21152	2.7
293.19016	4.5
295.20523	4.6
297.22235	5.0
300.20749	2.2
301.19186	4.0
303.17651	2.1
303.20938	2.2
307.20471	2.9
321.22241	2.6
329.22546	2.0
331.24310	6.2
333.21896	2.3
343.24780	2.1
347.23782	3.5
349.25110	10.2
353.07101	2.1
357.25726	3.1
361.25311	2.2
365.24625	3.6
375.26666	10.1
403.30011	8.3
450.63644	2.2
470.84183	2.0
491.35229	5.9
503.34924	4.7
526.91034	1.9
547.38629	3.2
558.52124	2.2
565.40375	25.3
583.41406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05516	12.2
57.07067	7.4
59.05000	2.2
60.40597	1.4
60.84440	1.6
61.01781	1.7
63.63516	1.6
65.03942	4.7
67.05505	20.3
69.03423	6.1
69.07078	18.2
70.55888	1.5
70.95103	1.7
70.95427	2.5
71.05012	1.9
79.05499	22.0
81.07059	29.3
83.04975	7.9
83.08619	8.8
85.06550	4.6
91.05483	34.0
93.07049	46.9
95.04963	6.5
95.08607	29.3
97.02942	2.1
97.06522	6.0
103.05488	4.5
105.07034	59.5
107.08601	43.4
109.06535	6.1
109.10162	16.1
111.08114	2.2
115.05511	3.0
116.06214	1.8
117.07029	13.5
118.97049	1.6
119.08586	66.6
121.06522	4.4
121.10146	47.2
123.08076	15.2
123.11732	5.5
125.06030	2.5
125.09657	5.1
128.06232	8.8
129.07008	14.2
130.07794	5.9
131.08572	27.6
133.06535	2.0
133.07675	2.1
133.10133	32.7
135.08069	6.3
135.11703	14.6
137.09666	8.2
139.11206	3.5
141.07016	7.1
142.07790	17.3
143.08560	34.4
144.09352	6.6
145.10127	46.0
145.41414	1.6
147.08047	10.8
147.11693	12.1
149.09578	7.4
149.13266	3.2
151.07549	12.8
152.06190	1.5
153.07022	3.9
153.12718	2.1
154.07806	4.7
155.08586	13.9
156.09349	14.7
157.10135	40.5
158.10928	6.5
159.08078	5.8
159.11690	26.9
161.09668	5.9
161.13239	9.0
163.11220	5.9
165.07056	8.4
165.09102	11.1
167.08620	7.6
167.10687	33.2
168.09341	7.2
169.10139	20.7
170.10927	6.7
171.11703	26.0
173.09627	2.6
173.13292	23.2
175.11195	4.4
175.14853	8.7
179.08527	10.7
180.09348	6.4
181.10136	16.8
181.12260	4.4
182.10979	6.2
183.11690	26.1
184.12547	3.9
185.09724	2.2
185.13255	14.3
187.11263	2.1
187.14894	7.0
189.12778	5.2
191.08470	2.0
191.14362	7.0
192.09384	4.0
193.10167	13.3
194.10966	9.9
195.11714	22.8
196.12436	5.3
197.13284	17.8
198.14156	1.7
199.14804	11.1
201.12810	2.2
201.16376	3.9
203.14384	5.8
205.10143	3.8
206.10989	4.9
207.11729	18.0
207.13803	7.2
208.12405	7.4
209.13278	24.3
210.14011	2.9
211.11366	1.5
211.14827	11.9
213.12819	2.9
213.16452	4.6
215.14442	4.2
217.10118	4.4
217.15875	7.8
218.10817	2.5
219.11659	7.4
220.12491	4.4
221.13277	11.4
221.15433	27.2
222.14015	4.3
223.11115	1.9
223.14758	12.9
224.15540	1.6
225.16408	6.9
227.14363	3.8
229.10243	2.4
230.10921	2.1
231.11620	3.9
231.17506	1.9
232.12503	4.5
233.13303	7.4
233.15402	9.7
234.14040	3.9
235.14864	9.1
236.15659	2.7
237.16431	6.7
239.14331	1.6
239.17900	4.1
241.19612	1.7
243.11649	1.9
243.17429	2.0
244.12465	2.6
245.13255	6.5
246.14023	5.5
247.14830	9.5
247.17044	2.5
248.15381	2.5
249.16422	7.0
250.17110	2.0
251.18071	6.1
253.19691	1.8
257.13254	2.1
257.19022	7.0
258.14154	2.8
259.14795	5.9
260.15530	3.6
261.16266	7.8
262.17178	2.0
263.18051	5.4
265.19629	5.6
267.17593	2.1
269.19086	5.9
271.14917	2.5
271.20737	2.7
273.16385	3.2
275.17978	6.7
277.19653	3.7
279.21149	3.0
281.19046	2.6
283.14886	2.5
283.20682	10.2
287.17850	2.2
287.20581	1.8
289.19458	3.3
291.21063	2.2
293.19147	3.2
294.14124	1.8
295.14685	1.7
295.20667	4.7
297.22308	2.5
299.17722	2.1
301.19449	2.4
303.21219	3.1
307.20581	2.9
315.21271	3.3
317.22635	2.0
321.22437	1.8
329.22617	2.4
331.24283	4.3
333.22348	1.8
347.23364	2.0
349.25156	7.9
357.25806	2.2
361.25201	2.1
365.24881	1.8
375.26697	3.6
403.29971	5.2
428.11829	2.0
491.35181	3.0
503.35138	3.4
509.34381	1.7
547.39514	4.9
565.40424	20.5
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01871	2.4
55.05509	16.5
57.07074	10.7
59.04989	3.4
65.03930	5.7
67.05502	27.2
69.03419	9.3
69.07066	25.7
70.34869	1.8
70.98386	4.6
71.04987	2.5
79.05493	36.5
81.03398	2.1
81.07051	40.7
83.04975	9.1
83.08616	10.0
85.06547	6.2
91.05474	52.2
93.07046	70.9
95.04964	12.3
95.08607	40.1
97.06530	10.0
97.10233	2.4
99.29414	2.0
103.05475	6.9
105.04532	2.2
105.07029	81.9
107.04968	5.5
107.08595	65.4
109.06501	10.3
109.10156	27.1
111.08102	3.0
111.11713	2.1
115.05465	6.5
116.06219	2.5
117.07020	18.4
119.08578	100.0
121.06496	5.4
121.10143	65.6
122.10415	1.8
123.08039	14.0
123.11701	8.8
125.09629	6.7
128.06223	15.8
129.07016	26.4
130.07790	7.7
131.08565	37.9
133.06499	3.1
133.10127	41.9
133.11105	3.0
135.08080	10.8
135.11684	19.3
135.40402	2.0
137.09604	9.8
137.13254	2.5
139.11195	4.9
141.06996	10.3
142.07776	25.6
143.08559	44.7
144.09361	10.3
145.10124	62.0
147.08060	13.2
147.11682	22.4
149.09615	12.7
149.13258	2.8
151.07549	9.1
151.11118	2.2
153.07030	3.6
153.09055	2.7
154.07788	2.5
155.08565	22.7
155.10681	3.0
156.09349	21.1
157.10130	61.3
158.10883	7.7
159.08078	8.8
159.11697	37.1
161.09628	8.2
161.13251	9.5
163.11200	9.6
165.07008	8.3
165.09094	15.8
166.07790	5.0
167.08620	12.8
167.10670	51.5
168.09351	7.4
169.10129	29.4
170.10916	9.0
171.11684	38.7
172.12494	3.5
173.09659	4.6
173.13255	32.6
175.11203	6.0
175.14795	12.8
176.66760	2.2
179.08575	13.8
180.09343	6.3
181.10132	15.8
181.12257	5.4
182.10913	9.7
183.11687	27.4
183.83112	2.3
184.12431	6.6
185.09642	3.1
185.13234	19.2
187.11208	4.3
187.14879	10.0
189.12817	7.7
189.16409	2.7
191.14372	8.6
192.09375	6.7
193.10095	16.4
194.10899	15.0
195.11679	24.7
196.12465	7.3
197.13239	24.8
199.11194	3.8
199.14807	27.1
201.12737	3.1
201.16422	5.9
203.14290	8.2
205.10173	4.0
205.15880	4.1
206.10912	7.4
207.11742	22.7
207.13635	3.6
208.12439	7.2
209.13263	31.0
210.14015	3.4
211.11259	2.1
211.14781	16.7
213.16418	5.2
214.40297	2.5
215.14362	6.5
217.10127	4.6
217.15895	17.3
218.10899	4.5
219.11685	7.9
220.12518	7.2
221.13263	18.0
221.15416	28.2
222.13980	5.0
223.14891	16.5
224.15549	3.6
225.12697	4.0
225.16403	8.4
227.14305	4.5
230.10959	4.9
231.11710	7.2
232.12381	4.1
233.13257	11.2
233.15414	19.8
234.13947	2.8
235.14912	12.0
236.15471	4.1
237.12733	2.9
237.16386	7.0
239.17955	5.2
243.11720	2.6
244.12549	2.9
245.13277	7.8
246.14052	3.6
247.14923	9.7
248.15500	4.2
249.16422	10.6
250.17090	2.5
251.17984	5.3
253.15823	2.4
253.19514	2.3
255.17551	2.5
257.13171	4.1
257.19052	7.2
258.14029	3.0
259.14856	7.7
260.15753	3.8
261.16388	8.9
263.18021	7.3
265.19611	6.6
267.17520	3.9
269.19055	5.2
271.14758	4.0
271.20541	4.0
273.16205	5.1
275.18030	7.7
277.19608	3.7
281.19141	3.6
283.20486	10.7
287.17776	4.2
289.19565	7.0
293.18713	2.4
295.20483	3.2
297.22308	2.2
299.20306	3.9
303.21063	4.0
307.20401	3.7
309.22144	2.2
311.20087	2.6
315.21130	2.8
317.19174	2.7
317.22772	2.6
331.24152	4.3
343.24622	2.4
349.25357	4.9
359.23550	2.3
361.25122	5.1
365.24606	2.9
375.26950	4.2
377.24719	2.2
401.28418	3.4
403.30222	3.1
419.48230	2.5
431.21481	2.4
491.35046	7.3
496.64642	2.2
547.39386	5.0
565.40472	20.1
583.41431	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05510	9.1
57.07075	8.3
57.95514	1.0
59.04990	3.5
59.57606	0.9
65.03923	2.0
67.05504	16.6
69.03420	8.7
69.07070	8.1
69.41109	1.0
71.04982	1.0
71.26273	1.3
71.26582	1.0
77.03931	1.7
79.05491	14.7
80.34301	0.9
81.07058	23.3
83.04979	4.8
83.08604	2.9
85.06544	4.5
91.05482	25.3
93.07040	31.3
94.07777	1.1
95.04964	6.6
95.08605	19.7
95.09176	1.4
96.53012	1.0
97.06540	3.0
103.05466	3.3
105.04495	1.1
105.07030	42.4
107.08592	26.1
109.06519	5.9
109.10155	15.4
111.08087	5.0
114.84469	0.9
115.05441	2.0
117.07031	10.7
118.07787	1.0
119.06055	1.0
119.08580	50.8
121.06494	5.3
121.10140	23.9
122.07278	1.9
123.08065	16.5
123.11699	3.0
125.06010	2.5
125.09621	1.0
128.06195	4.8
129.06987	9.4
130.07790	3.5
131.08566	19.3
133.06500	2.6
133.10130	25.8
135.08057	11.1
135.11682	12.5
137.05981	1.5
137.09612	18.6
139.07512	1.2
141.07002	3.2
142.07782	9.6
143.08565	18.1
144.09325	4.4
145.06436	0.9
145.10126	35.0
147.08044	25.8
147.11682	10.4
148.08784	0.9
149.09636	3.7
149.13275	2.2
151.07545	10.6
151.11165	2.9
153.07111	1.8
153.09091	1.1
154.07726	2.0
155.08565	6.7
156.09320	7.6
157.10136	24.9
158.10913	2.6
159.08073	1.8
159.11684	17.1
160.08890	1.0
161.09598	6.0
161.13237	8.3
163.11212	5.8
165.09116	56.8
166.07860	1.3
167.08578	4.2
168.09396	3.4
169.10112	10.6
170.10876	3.7
171.08067	1.4
171.11702	12.9
172.12477	2.6
173.09625	3.1
173.13268	11.6
173.14680	1.2
175.11246	3.3
175.14795	9.7
177.09145	1.6
177.12761	1.2
179.08543	5.2
179.10747	1.1
180.09383	2.0
181.10132	6.3
181.12209	5.9
182.10944	3.8
183.11694	11.4
185.09633	1.4
185.13232	8.2
187.11189	2.3
187.14867	5.8
189.12733	3.1
191.14284	2.2
192.09395	2.0
193.10152	6.1
194.10957	4.1
195.11682	10.3
195.13586	1.8
196.12506	2.9
197.11816	1.0
197.13324	7.1
198.13954	1.1
199.11185	2.0
199.14865	4.8
201.12726	1.3
201.16400	3.1
203.14313	18.1
206.10912	1.9
207.11684	5.0
207.13812	5.5
208.12532	2.8
209.13251	10.3
209.15144	1.4
210.14069	1.9
211.11359	1.4
211.14859	3.7
213.12756	2.3
213.16441	1.9
215.14253	2.0
219.11732	1.2
221.13313	6.2
221.15350	100.0
222.13925	1.4
223.11218	1.5
223.14777	5.4
225.16408	1.5
227.14296	1.3
229.15939	1.4
231.11641	1.4
233.13243	2.2
234.14008	1.6
235.14835	3.4
237.16388	3.1
239.18098	1.1
245.13269	1.8
247.14796	1.6
247.17035	2.1
249.16519	1.8
251.17870	1.5
253.19528	1.2
259.14767	1.0
261.16382	1.9
263.17978	1.6
265.19598	2.2
271.20392	1.4
273.16379	1.8
275.17963	1.8
277.19406	1.2
279.21268	1.1
283.20496	1.0
287.20029	1.5
297.22037	1.3
299.20233	2.1
352.24036	3.0
357.25980	1.3
365.24734	2.2
367.26425	1.7
375.26822	1.4
377.24759	1.8
397.27264	1.8
399.29346	1.4
412.01672	1.1
437.30554	1.7
473.34128	7.8
491.35217	16.0
503.34698	5.5
549.79602	1.0
565.40497	7.9
583.41437	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	584.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01873	1.1
57.03428	2.3
61.02929	5.2
69.03441	7.2
70.06580	0.9
71.04980	1.0
71.48559	1.1
73.02913	1.4
79.05517	0.7
81.03417	2.6
85.02912	37.3
87.04460	0.8
91.03957	2.0
97.02302	0.7
97.02895	9.7
97.03466	1.0
99.04433	1.7
105.59730	0.6
107.04953	3.9
109.02906	3.4
115.03844	0.6
127.03931	8.5
129.10306	0.5
132.46150	0.7
137.05984	0.7
144.06581	0.8
145.04982	14.1
155.08592	0.9
163.06020	3.6
165.06982	3.8
167.08525	2.2
179.08578	0.8
181.06499	0.7
182.07266	1.7
183.08110	4.1
194.07213	0.9
195.08031	0.8
197.09627	11.3
204.41754	0.7
207.08040	1.9
209.09557	0.9
210.06808	2.8
211.07590	8.5
212.08481	3.6
212.10231	0.7
213.08913	0.8
214.91847	0.6
215.10646	1.5
224.08348	0.6
225.09128	10.8
228.07816	2.5
235.07472	1.9
237.09109	0.7
239.10651	1.9
243.10187	100.0
248.08417	0.7
249.09241	0.7
255.10197	5.4
263.10651	1.3
267.10181	10.7
279.10220	1.2
281.11685	1.7
285.11121	0.8
291.10141	4.2
293.11783	0.8
302.09082	0.6
305.11725	0.9
309.11255	5.1
333.11270	5.4
351.12344	4.6
353.80319	0.6
369.13263	4.6
369.16974	0.5
379.15945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	0.6
55.69313	0.3
61.02923	1.1
69.03436	3.0
70.06593	3.1
71.04974	0.4
71.48524	0.5
73.02921	0.6
81.03408	1.2
84.08136	0.7
85.02908	16.3
86.09703	1.1
86.72649	0.4
87.04418	0.5
91.03951	1.2
97.02896	3.9
99.04436	0.7
99.79983	0.3
107.04945	2.4
109.02885	1.5
120.08086	0.5
127.03932	3.6
139.48444	0.4
145.04979	6.0
153.06969	0.5
154.07716	0.4
154.65816	0.4
155.08556	0.5
163.06033	2.0
165.06998	3.1
167.08578	1.0
179.08536	0.4
181.06372	0.5
182.07271	1.5
183.08069	4.4
184.07356	0.4
195.08044	0.5
197.05966	0.8
197.09651	4.1
198.85263	0.4
210.06734	1.7
211.07547	8.4
212.08334	4.4
213.05345	0.5
215.10675	1.4
225.09097	6.6
226.09802	0.7
227.07042	0.4
228.07806	4.2
239.10785	0.5
241.08701	0.4
243.10178	100.0
244.10471	1.2
253.08632	0.7
263.10635	0.5
267.10281	2.1
279.10150	0.8
283.09766	0.4
285.11230	0.9
291.10229	0.8
307.94214	0.4
309.11194	1.9
343.35986	0.4
351.12430	0.7
369.13370	1.3
405.15393	3.7
438.21075	0.5
495.42938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
61.02919	1.3
69.03431	2.6
70.06595	8.0
71.48643	0.6
72.08145	1.0
73.02905	0.8
74.06045	0.5
77.96133	0.5
81.03410	1.5
84.04508	0.7
84.08146	6.0
85.02911	15.5
86.09696	1.9
87.04487	0.8
91.03963	1.1
91.05402	0.5
97.02894	3.8
99.04444	0.8
107.04968	3.3
109.02877	1.7
110.07125	0.6
121.10119	0.5
127.03933	4.3
127.08611	0.5
129.10255	5.6
141.10242	0.6
141.34923	0.4
145.04964	7.7
152.78162	0.4
155.08473	1.0
163.06035	2.1
165.06984	2.8
167.08516	1.2
181.06610	0.6
182.07256	0.9
183.08080	5.4
193.06384	0.7
197.09621	5.3
200.08458	0.5
210.06779	2.9
211.07558	11.3
212.08348	6.1
215.10707	1.2
225.09138	5.1
227.07162	0.7
228.07832	6.2
229.15457	1.6
243.10184	100.0
244.10521	1.4
267.10141	1.6
285.11316	0.5
309.11206	2.0
333.11115	0.5
343.19855	0.5
369.13333	1.3
405.15469	34.4
553.81653	0.5
584.22925	0.6
584.37781	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	584.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05506	1.4
71.21355	1.4
71.21696	1.6
79.05497	2.5
91.05478	3.1
93.07053	2.1
95.04985	2.0
101.07152	1.6
103.05489	2.7
105.07037	7.1
107.04962	100.0
107.08567	1.7
119.08598	1.9
121.06539	1.9
121.10173	1.3
131.04959	6.1
131.08565	1.8
137.05978	5.5
145.10101	7.0
159.08089	1.9
159.11681	3.3
161.05977	2.3
162.06718	2.6
173.09689	5.3
187.11234	4.8
197.09648	2.3
205.12231	6.4
207.28648	1.4
213.09180	2.8
215.10757	8.2
233.11682	8.8
257.08054	2.0
293.15277	2.2
293.46381	1.3
311.16589	2.2
311.43866	1.5
321.14978	4.0
334.41037	1.4
355.13837	3.2
357.16864	1.6
375.12070	1.6
387.12228	1.7
391.04205	1.6
410.77576	1.3
418.13971	4.3
467.58456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.5
53.03946	2.7
55.01861	1.4
67.05498	2.3
69.03426	10.0
69.17173	15.5
71.04982	2.3
74.31476	1.4
79.05479	6.5
81.07051	2.4
91.05477	5.7
93.07053	2.7
95.04969	3.1
97.06534	3.0
98.20729	3.6
99.04454	2.8
105.07036	34.8
107.04960	100.0
107.08604	2.8
117.07037	3.1
119.04928	2.3
119.08613	2.8
121.06495	3.8
125.05982	1.7
129.75952	1.4
131.08569	6.7
133.06499	8.7
133.10124	5.1
137.05969	4.3
143.08624	1.8
144.09286	3.1
145.06502	4.5
145.10126	55.0
147.04416	2.3
155.08527	2.8
158.07220	3.7
159.08141	3.7
159.11710	21.8
161.09627	5.3
163.07574	2.0
169.10083	3.7
172.08807	1.9
173.09637	31.3
187.11201	24.6
189.12741	2.7
197.09586	5.5
205.12248	49.9
213.09103	2.8
215.10684	67.6
216.10817	1.6
225.09059	1.6
233.11740	42.3
304.11697	1.7
305.12024	2.0
309.13281	4.0
311.16437	2.0
319.11871	7.5
321.15057	2.0
337.12823	20.3
355.13745	7.8
371.12827	2.0
398.18719	1.6
584.25708	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	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.05525	6.9
55.41086	1.1
57.07081	12.0
58.00184	1.2
63.88528	1.2
65.03937	2.6
67.05501	12.0
69.03428	2.3
69.07064	7.1
70.06580	5.0
70.07424	1.3
70.88536	2.0
71.04977	1.6
71.08617	6.7
73.06544	1.5
74.71368	1.3
79.05505	11.3
80.06269	2.5
81.07055	19.2
82.27082	1.2
83.04970	2.9
83.08618	3.4
85.06551	1.6
85.10177	3.2
86.09695	1.6
87.04465	4.9
88.07625	2.8
89.06033	100.0
89.78042	1.5
91.05476	19.7
93.07048	22.7
95.04968	10.9
95.08601	13.2
97.06537	3.2
103.05432	1.5
105.07037	33.7
106.81241	1.5
107.04980	2.4
107.07080	2.5
107.08595	19.5
108.30388	1.4
109.06532	3.1
109.10162	12.5
115.05460	2.8
117.07014	12.0
119.08584	38.6
120.09396	1.8
121.06481	2.1
121.10146	18.3
123.08112	8.2
123.11735	3.6
128.05399	1.4
128.06235	5.7
129.07034	6.9
130.07756	2.9
130.08650	1.9
131.08559	21.3
132.10240	2.4
133.06506	2.6
133.08612	64.8
133.10104	19.0
135.08051	5.5
135.11687	8.8
137.09610	3.8
139.11168	1.5
141.07008	3.8
142.07773	7.3
143.08568	18.4
144.09306	4.4
145.10124	26.7
147.08031	2.9
147.11684	9.6
148.08795	1.6
149.09650	3.5
151.11232	1.9
153.06973	1.7
154.07732	1.4
155.00998	1.5
155.08530	7.3
156.09352	4.8
157.10135	23.4
158.10852	4.5
159.08069	5.7
159.11703	14.6
160.12381	1.4
161.09592	4.5
161.13271	3.4
163.11205	1.9
165.06982	2.2
165.09123	1.9
167.08543	3.0
168.09363	2.2
169.10144	10.3
170.10901	3.8
171.11710	14.3
173.09615	2.9
173.13298	9.2
174.10469	1.2
175.09726	1.4
175.11154	1.9
175.14873	4.9
177.11217	27.0
177.12724	2.1
179.08574	4.3
180.09361	2.6
181.10115	6.6
182.10802	2.7
183.11708	12.8
184.12415	1.8
185.09598	3.3
185.13269	6.0
187.11185	3.1
187.14818	4.6
189.12753	2.9
192.09207	2.2
193.10106	5.0
194.10893	4.4
195.11723	9.3
196.12405	2.3
197.11577	1.4
197.13234	9.4
198.13936	1.9
199.11136	2.5
199.14825	6.6
200.15559	1.5
201.16449	1.9
203.14255	1.9
207.11711	5.9
207.13600	1.3
208.12311	1.4
209.13251	10.1
210.13977	1.6
211.14825	7.7
213.12787	2.5
213.16470	1.5
219.11749	2.0
221.13416	4.9
221.15454	2.3
223.14856	4.5
225.16437	2.3
227.14302	2.0
231.11566	2.5
232.12376	2.0
233.13306	2.2
233.15298	2.9
234.14168	1.7
235.14873	2.2
237.16425	2.6
239.17838	1.8
245.13336	1.5
247.14790	3.6
249.16336	1.6
251.14487	1.5
251.17819	2.4
255.17494	8.8
256.26282	3.3
261.16345	2.3
265.19525	2.1
270.19757	1.5
273.16196	2.3
281.19205	2.0
283.17371	4.0
283.20425	1.5
283.26334	4.5
300.28952	8.2
311.29498	11.2
327.20367	4.3
349.25394	2.8
371.22748	28.6
492.36002	3.2
566.40686	2.0
570.71625	1.5
584.41980	7.7
584.56104	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75643	1.9
51.02385	2.3
53.03946	4.4
55.05508	10.9
57.07079	16.2
57.68217	2.2
59.04989	3.7
61.91740	2.9
65.03934	3.3
65.25593	2.0
67.05510	19.2
69.03429	6.6
69.07092	10.8
70.06610	3.0
71.49419	3.2
79.05490	19.5
80.06252	2.1
81.07058	32.8
83.04987	7.1
83.08601	4.6
85.06546	5.7
89.06041	15.3
91.05488	32.7
93.07047	49.6
95.04959	8.8
95.08615	31.0
97.06535	7.1
97.10162	1.9
101.27642	2.1
103.05441	2.6
103.90313	2.0
105.07040	67.0
107.08609	30.7
109.06531	7.6
109.10172	17.3
111.08080	2.5
115.05495	4.6
117.07014	19.6
119.08591	80.9
120.08805	2.9
120.09458	2.1
120.57295	2.0
121.06520	8.3
121.10159	28.9
123.08064	11.3
123.11734	3.7
125.06026	3.7
125.09628	2.5
128.06224	10.2
129.07027	13.5
130.07776	5.2
131.08574	37.3
133.06529	5.0
133.08609	8.2
133.09189	2.3
133.10139	36.1
135.08075	10.6
135.11716	14.8
137.05972	2.5
137.09601	8.7
139.07555	2.5
141.06982	7.3
142.07767	17.7
143.08568	33.9
144.09392	14.5
145.10136	52.4
147.08046	20.1
147.11713	15.5
149.09628	8.9
149.13264	4.5
151.07530	8.5
151.11211	4.1
155.08601	16.2
156.09386	14.9
157.10138	59.9
158.10899	8.1
159.08092	5.5
159.11696	30.1
160.12344	2.3
161.09615	8.7
161.13268	6.3
163.11163	10.2
165.07031	3.4
165.09132	31.6
166.07709	2.7
166.09517	2.8
167.08554	8.9
168.09358	10.0
169.10110	25.5
170.10945	6.8
171.07912	2.0
171.11700	28.6
172.12419	7.0
173.09590	5.0
173.13271	20.6
175.11215	14.4
175.14844	9.0
177.09178	2.4
177.11270	3.0
177.12708	5.1
179.08588	10.7
180.09421	3.8
181.10165	17.5
181.12210	9.9
182.10863	5.8
183.11716	28.1
184.12450	4.9
185.09708	2.6
185.13251	18.0
187.11259	4.2
187.14835	5.8
189.12744	8.2
190.13524	9.0
191.10701	3.5
191.14330	5.2
192.09343	3.1
193.10251	10.2
193.12129	9.9
194.10896	4.8
195.11696	14.3
195.13371	2.9
196.12476	4.9
197.09700	3.4
197.13251	24.6
198.13924	3.0
199.11160	5.7
199.14871	7.8
201.12784	4.6
201.16383	5.9
203.14287	16.3
205.10266	2.8
207.11693	11.4
207.13805	11.3
208.12495	3.4
208.14624	4.7
209.13307	15.1
209.15158	3.4
210.14040	3.9
211.11337	2.7
211.14815	11.2
213.12787	2.5
213.16321	4.5
215.14333	2.4
217.15858	4.2
219.11763	3.9
219.13779	5.2
220.12495	4.3
221.13255	10.2
221.15338	63.4
222.13904	3.2
222.15817	4.6
223.14908	10.8
225.12766	4.1
225.16415	6.0
227.14218	3.2
233.13303	3.0
233.15356	2.8
234.14119	2.6
234.16089	10.6
235.14786	5.9
237.12720	3.8
237.16368	6.2
239.14354	3.2
241.15791	2.6
245.13318	2.8
247.14754	2.7
247.16988	8.9
249.16357	6.7
251.14258	4.2
251.18100	3.3
255.17459	3.4
263.17926	3.9
265.19580	3.7
271.17053	2.8
271.20459	3.0
274.19452	3.0
281.18765	3.2
286.19247	2.8
287.20087	4.3
296.21277	3.6
297.18555	3.9
299.20007	9.1
300.29092	5.1
310.19238	2.2
311.19977	2.9
311.29379	5.7
312.20926	4.4
312.24283	3.6
319.20654	3.5
323.19867	2.6
325.21576	10.8
337.21539	10.9
351.23190	3.3
352.23978	75.0
365.24908	14.3
371.22861	3.2
376.27734	2.4
378.25449	2.6
391.26651	2.9
397.27554	2.8
398.28134	9.3
404.30695	6.4
412.29776	17.5
425.30490	4.9
438.31354	14.9
474.35211	3.2
489.33389	5.7
491.35391	14.5
492.35690	6.3
504.36038	100.0
564.37415	2.5
566.40753	3.2
584.42194	25.9
584.55872	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.2
53.03949	4.1
55.05518	15.1
57.07076	16.5
58.06610	2.5
59.04998	5.4
67.05505	22.7
69.03431	6.5
69.07071	17.4
69.24003	21.0
70.06583	4.0
70.71446	2.7
71.08623	7.1
75.67766	2.3
79.05495	30.1
80.06271	2.7
81.03414	4.2
81.07062	34.6
83.04980	8.7
83.08621	10.8
85.04801	2.1
85.06542	8.6
85.81626	2.1
86.61123	2.5
88.49265	2.3
89.06039	23.6
91.05483	46.0
93.07053	52.9
94.07359	3.4
95.04967	10.5
95.08607	36.7
97.06509	5.2
97.10194	2.4
99.61305	2.1
100.42798	2.4
103.05495	4.9
105.07033	77.0
107.04954	2.6
107.08601	42.9
109.06499	12.5
109.10178	21.4
111.08108	6.1
111.13366	2.2
115.05470	6.4
117.07024	16.1
119.08586	100.0
120.08895	2.7
120.09464	2.8
121.06499	9.0
121.10150	34.8
123.08086	14.7
123.11743	6.1
125.06046	3.9
128.06244	8.6
129.07008	15.9
130.07790	5.7
131.08559	47.0
131.41634	2.5
132.09361	4.6
133.06493	4.7
133.08630	11.2
133.10133	41.0
135.08061	17.9
135.11655	13.3
137.09633	16.4
141.07007	8.4
142.07802	20.2
143.08566	35.1
144.09300	8.0
145.10130	64.1
146.10507	4.2
147.08028	21.5
147.11691	19.7
149.09622	12.8
149.13281	4.3
151.07594	12.0
151.11317	2.7
154.07855	4.0
155.08549	13.9
156.09407	16.1
157.10141	61.4
157.11348	4.8
158.10979	14.1
159.08080	5.9
159.11694	32.6
160.12364	2.4
161.09653	10.7
161.13260	8.5
163.11211	13.4
165.07036	6.3
165.09132	29.5
167.08549	8.1
168.09412	6.4
169.10152	22.3
170.10936	12.9
171.08134	2.3
171.11702	26.6
172.12325	8.2
173.09645	5.8
173.13275	19.1
174.13466	2.3
175.11180	12.1
175.14828	9.5
177.09209	2.9
177.11273	5.1
177.12726	5.1
178.07646	2.4
179.08559	7.8
180.09331	3.4
181.10188	13.3
181.12212	10.1
182.10890	8.9
183.11688	27.0
184.12311	5.0
185.09650	4.3
185.13264	19.6
187.11150	2.8
187.14912	11.1
189.12772	6.4
190.13586	7.0
191.37160	2.5
192.09326	5.0
193.10170	8.8
193.12236	9.0
194.10936	7.4
195.11694	15.3
195.93076	2.5
196.12401	6.3
197.09587	4.1
197.13289	18.7
198.13869	3.2
199.11186	5.4
199.14804	9.2
201.12732	4.0
201.16374	3.9
203.14282	14.7
205.15660	2.8
206.10880	3.8
207.11708	10.3
207.13814	10.6
208.12517	5.7
208.14496	4.9
209.13281	21.2
209.15160	3.3
210.13840	6.2
211.11177	4.6
211.14864	8.8
213.12749	4.9
213.16347	3.5
215.14241	3.7
216.14944	3.2
217.15927	4.5
219.11765	2.7
219.13721	2.9
220.12393	4.0
221.13226	9.7
221.15326	62.7
221.17346	4.5
222.13834	3.1
222.15736	8.6
223.14830	10.3
224.15526	3.2
225.12791	3.9
225.16292	4.1
233.13283	6.6
233.32458	2.4
234.14079	3.0
234.16147	9.4
235.14754	7.1
237.12778	8.0
237.16399	8.7
239.14127	3.0
241.12233	2.4
241.15990	3.3
241.19675	2.6
245.13220	3.3
247.14716	3.3
247.17014	11.4
249.16550	2.9
250.13382	2.4
251.18039	5.8
253.15930	4.0
259.17160	3.3
263.18045	5.0
265.19574	3.4
271.17017	3.6
271.20364	2.3
279.74622	2.8
281.19131	4.0
283.20996	2.5
283.26297	4.5
285.18610	3.3
286.19382	3.5
287.20218	5.2
299.20062	10.2
300.28955	7.6
311.20102	2.7
311.29550	12.7
312.20859	3.2
319.20551	3.7
325.21713	13.7
337.21649	7.9
347.24152	3.1
352.23938	72.4
363.23105	2.5
365.24866	14.8
371.22937	3.5
398.28085	6.5
404.30862	5.6
411.29037	3.9
412.29733	20.0
421.16986	2.4
425.30560	3.6
431.29236	3.3
438.31281	13.0
489.33743	6.5
491.35342	11.3
492.35733	6.7
504.36041	92.8
566.40912	4.0
569.40295	3.1
584.42157	28.9
584.56091	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
54.23599	1.9
55.05512	11.1
57.07077	14.3
58.92972	2.0
65.03923	2.5
67.05511	22.4
69.03421	4.0
69.07080	12.3
70.06580	5.3
71.05013	2.9
71.08614	9.1
71.10077	4.9
78.23123	1.9
79.05488	22.2
80.06242	2.6
81.07058	31.4
83.04966	3.4
83.08593	7.8
84.32758	2.0
85.10155	3.0
87.04458	4.7
89.06033	100.0
91.05487	41.9
93.07047	46.5
94.07826	2.3
95.04974	29.5
95.08612	24.3
97.06521	4.6
98.98457	6.6
102.09171	2.3
103.05476	3.0
105.07031	74.7
107.08604	37.6
109.06515	7.0
109.09503	2.2
109.10169	24.4
111.08092	2.7
115.05415	5.1
117.07042	18.8
119.08582	73.1
120.76121	2.0
121.06487	2.5
121.10141	33.2
123.08081	17.3
123.11712	5.3
125.09599	3.3
128.06229	11.3
129.07031	12.3
130.07764	5.4
131.06999	2.6
131.08563	36.2
132.09288	5.3
133.06496	3.7
133.08609	52.3
133.10118	39.2
134.10863	2.4
135.08037	7.9
135.11731	14.1
137.09579	9.0
139.11156	2.2
141.06975	8.1
142.07790	15.3
143.08577	35.4
144.09331	11.3
145.06456	3.2
145.10130	67.7
146.10719	4.1
147.08011	6.3
147.11685	21.8
149.09587	6.4
149.13300	3.3
151.11119	3.0
151.22620	2.2
154.07744	2.8
155.01028	6.8
155.04854	2.1
155.08575	12.1
156.09380	16.4
157.10147	40.3
158.10887	6.8
159.08061	4.7
159.11700	32.7
160.12483	3.2
161.09578	9.8
161.13248	4.4
163.11140	5.0
165.07019	5.1
167.08549	8.4
167.10735	2.3
168.09320	4.7
169.10110	22.1
170.10922	6.0
171.11699	26.0
173.13280	18.3
175.11168	3.4
175.14793	6.8
177.11217	20.2
177.12613	3.4
179.08549	7.8
181.10094	10.9
182.10907	5.7
183.11684	18.5
184.12383	6.3
185.09633	3.3
185.13289	15.2
187.11179	3.0
187.14810	8.7
189.12730	6.6
191.14265	6.6
193.10106	9.1
194.10880	9.0
195.11658	14.4
196.12408	6.0
197.13268	20.4
198.13951	4.9
199.14735	11.9
201.12685	2.9
203.14401	2.7
205.10010	3.2
206.10797	2.6
207.11665	9.8
207.13570	3.1
208.12425	4.5
209.13268	15.8
210.13824	3.9
211.11163	3.0
211.14778	16.4
213.16423	5.5
215.17946	2.6
219.11642	3.3
221.13362	11.1
223.14861	9.7
225.12759	4.5
225.16299	5.8
233.13268	3.4
235.14793	5.3
237.16414	6.1
239.17856	4.1
247.14680	3.0
249.16467	3.2
255.17441	9.3
256.26382	6.9
257.19138	3.2
259.14899	2.4
261.16351	3.4
263.18008	3.3
265.19461	2.5
283.17447	3.2
300.28894	9.5
311.29312	12.6
337.25134	6.2
342.30746	3.1
349.25046	2.5
354.25562	10.3
371.22803	27.8
382.86002	2.4
427.17294	2.6
446.31552	6.7
460.62225	2.3
492.35593	7.1
506.40723	2.5
525.67474	2.3
571.48126	2.2
584.42291	15.4
584.56042	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
57.03428	0.7
57.53050	0.2
61.02924	1.2
65.03947	0.2
69.03431	2.7
69.42958	0.2
70.52415	0.2
71.04989	0.4
73.02905	0.3
79.05479	0.2
81.03432	1.2
81.03806	0.2
84.50129	0.2
85.02910	6.5
92.02612	0.7
93.03407	1.0
93.21989	0.2
93.38042	0.2
97.02897	2.9
99.04438	0.6
103.05505	0.3
105.07040	0.3
107.04961	8.0
109.02892	0.8
109.10110	0.3
121.02884	0.7
126.03116	0.3
127.03920	1.0
131.04915	0.8
137.05943	0.4
139.03883	0.8
145.04977	0.7
151.03920	0.7
153.01837	6.3
165.01840	0.6
201.05486	0.5
203.03409	0.5
217.05046	0.7
218.05721	0.6
228.04160	1.2
229.04987	3.1
231.02815	0.4
245.04436	1.1
246.05313	1.6
255.17899	0.3
257.04486	2.5
260.02835	0.3
261.07538	0.3
273.03949	1.7
274.04761	4.0
284.03256	0.4
285.03937	4.3
299.04980	0.3
302.04221	13.3
317.06564	100.0
318.06909	1.7
423.10739	15.4
527.94299	0.3
585.29480	0.4
586.05920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01852	0.8
55.95086	0.3
57.03401	1.0
60.27971	0.3
61.02929	1.7
62.53806	0.3
69.03432	4.1
69.40341	1.4
69.40770	1.1
71.04971	0.4
79.62030	0.3
81.03383	1.2
85.02910	9.0
97.02898	3.9
99.04401	0.6
106.06504	1.2
107.04943	1.6
108.05281	0.4
109.02874	0.5
121.02872	1.6
123.04411	0.5
127.03946	1.8
131.04915	0.4
133.06325	0.3
137.05943	0.4
145.04926	1.2
150.03101	0.7
151.03909	4.6
153.01761	0.5
161.02281	0.5
161.05911	0.4
165.01831	3.8
166.02621	0.5
177.05464	0.6
184.05090	0.3
185.05923	0.4
199.03964	0.4
213.05434	0.6
215.03569	0.4
229.05016	0.5
230.05693	0.9
231.06505	0.5
240.04147	0.5
241.04956	1.0
245.04417	1.0
248.61490	0.4
257.04532	0.7
258.05243	1.4
259.05988	0.9
269.04611	0.4
273.07526	0.6
285.04065	0.8
286.04755	3.6
297.03976	0.9
298.67599	0.3
299.05585	0.5
302.04254	0.7
314.04224	17.4
315.04950	1.5
317.06561	0.5
324.29205	0.4
329.06570	65.3
330.06915	1.1
341.77579	0.3
376.19296	0.3
408.08408	1.2
423.10767	100.0
424.11142	1.5
466.53751	0.3
585.40210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03934	1.5
55.01857	1.0
57.03426	0.8
60.82272	0.4
61.02916	1.3
67.05497	0.8
69.03429	4.7
69.07062	0.9
69.78753	0.8
69.79162	1.5
70.06581	1.6
71.04993	0.7
73.02912	0.8
73.22562	0.4
79.05463	0.7
81.03429	2.6
81.07053	0.9
84.04539	0.4
85.02906	10.0
85.06519	0.8
86.09691	0.5
87.04485	0.7
91.03950	0.4
91.05482	0.8
93.07028	0.6
93.96079	0.4
95.04939	0.6
95.08611	0.7
97.02898	4.5
99.04456	1.2
103.05443	0.4
105.07021	0.7
107.04961	8.2
108.05309	0.6
109.02884	1.3
109.06525	0.5
109.10142	0.8
115.05493	0.4
119.04977	0.3
119.08549	0.8
121.02869	1.9
121.10122	0.5
124.07523	0.4
127.03911	1.8
128.11981	0.4
131.04930	0.5
133.10164	0.4
137.02345	0.5
137.06013	1.1
137.09578	0.5
141.01852	0.5
141.61699	0.4
142.08653	0.5
145.04970	1.0
145.10107	0.9
147.04352	0.5
150.03130	0.4
151.03873	2.5
153.01833	0.9
161.09628	0.4
163.03944	0.6
164.06938	0.5
165.01825	2.2
166.02628	1.2
183.02853	0.5
187.07582	0.4
201.05440	0.5
229.04993	1.3
230.05733	1.4
240.11691	0.4
241.04993	0.8
257.04514	1.5
258.05295	1.7
259.02289	0.9
269.08984	0.5
271.10617	0.4
272.01279	0.4
285.03848	3.3
286.04706	3.6
287.10284	1.3
289.15662	0.5
314.04199	20.5
317.11670	0.7
317.14896	0.6
329.06549	100.0
330.06903	1.2
408.04816	0.6
423.06613	7.3
423.10773	16.3
423.19290	0.7
461.15479	0.5
498.43558	0.5
585.20325	0.7
585.28979	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	585.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78423	0.4
52.03161	0.4
53.03950	0.7
53.69353	0.4
55.01853	0.8
55.05489	0.5
57.03413	0.9
61.02895	1.3
67.05478	1.2
69.03431	2.8
69.07053	1.3
69.82679	1.8
70.06569	1.8
71.04966	0.8
73.02913	0.6
79.05518	1.0
81.03416	2.1
81.07040	1.3
83.04969	0.6
84.08101	1.0
85.02919	6.4
86.06067	0.8
86.09678	1.0
91.05460	1.3
92.02633	0.9
93.03392	1.1
93.07047	0.5
95.04956	1.0
95.08591	0.8
97.02902	3.0
97.06536	0.5
99.04449	0.7
102.05538	0.6
103.05447	0.6
105.07018	1.3
107.04961	26.7
107.08582	0.8
108.05247	1.0
109.02868	1.4
109.06487	0.7
109.10133	0.6
111.00685	0.4
119.08554	0.7
120.08135	0.8
120.36347	0.4
121.02858	1.5
121.06464	0.6
121.10104	0.5
127.03885	2.1
131.04919	1.9
131.08583	0.4
133.10068	0.4
135.08035	0.5
135.11653	0.5
137.05902	1.3
137.09628	0.9
139.03909	1.0
142.08633	0.6
143.08490	0.6
145.04939	1.2
145.06535	0.5
145.10069	0.5
147.04459	0.6
147.11664	0.7
151.03902	1.1
153.01851	5.9
161.06001	0.7
163.06200	0.5
165.01825	0.8
165.07219	0.6
177.05591	0.6
187.11203	0.7
201.03780	0.5
201.05492	1.1
203.03368	0.7
212.16422	2.1
213.16716	0.7
217.04865	0.7
218.05699	0.7
228.04178	0.8
229.04982	3.9
231.02971	0.5
236.16562	0.6
243.10165	0.9
244.10527	1.2
245.04437	1.1
246.05267	1.6
254.17523	5.1
255.17830	2.6
257.04449	3.0
259.07733	0.5
273.03836	2.1
274.04688	4.8
285.03946	4.4
302.04230	13.7
317.06573	100.0
318.06952	1.3
329.06543	1.4
331.10083	0.8
374.21585	2.5
375.21936	1.6
391.08325	2.2
423.10818	11.7
423.23538	1.3
457.20453	1.3
471.22134	1.2
472.54086	0.5
497.23596	0.7
584.33374	0.6
585.28809	61.8
599.61060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.15855	0.5
64.56651	0.5
69.03463	0.5
69.26527	2.6
69.26947	1.8
75.57896	0.5
79.05460	1.3
81.07038	1.1
91.05473	1.9
94.04171	3.2
103.05471	7.8
105.07031	1.4
107.04962	3.5
109.10142	0.6
121.10135	0.6
122.03652	6.6
123.04474	3.1
131.04932	11.7
133.06450	1.0
135.42281	0.5
137.05983	100.0
138.06300	1.9
146.03615	0.5
147.04350	0.6
151.03900	1.1
161.05942	3.5
162.06775	0.7
163.07542	13.6
165.05486	1.3
165.06952	0.7
169.06467	0.5
181.06435	1.5
182.07259	0.7
183.08173	0.6
196.05199	1.2
197.05960	0.9
198.06741	1.5
208.08658	0.5
210.06815	0.6
211.07574	1.3
213.09167	1.1
220.08640	0.7
225.05429	1.4
225.08955	1.0
226.06061	0.8
231.08295	0.6
235.07478	0.5
237.09088	1.6
238.09528	1.2
239.10544	0.6
240.07848	2.3
241.08621	7.2
242.09351	0.8
247.07578	1.2
248.08377	2.1
249.05440	0.8
250.06223	0.8
251.10728	1.9
253.08612	1.0
264.07880	2.1
265.08670	2.3
266.09000	0.7
267.10007	0.7
279.10184	6.1
283.11035	0.7
311.10513	2.4
312.11591	1.1
313.08453	0.7
316.98447	0.8
323.10574	0.6
327.10269	0.7
328.10779	1.3
329.11609	0.6
339.10068	1.3
340.10846	1.4
354.12201	1.0
355.09460	0.7
356.10553	1.0
357.11075	0.9
370.11938	0.9
371.12790	14.1
372.13513	1.5
375.12241	2.9
377.32220	0.5
386.14307	0.8
387.12286	0.8
388.12613	1.2
402.14655	5.1
403.15155	21.9
405.45935	0.6
499.35196	0.6
585.20172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66427	0.2
51.02386	0.3
52.51285	0.1
53.03947	1.1
54.38287	0.2
55.01875	0.6
55.05508	0.3
56.05052	0.2
67.05503	2.0
69.03423	0.2
69.24615	0.2
69.25064	0.3
69.25482	1.2
70.06592	1.2
74.05657	0.2
77.03917	0.4
77.58432	0.1
79.05499	1.7
81.03417	0.4
81.07058	0.5
82.06564	0.2
83.06080	0.2
84.04503	3.5
84.08129	0.2
85.02907	0.5
86.09698	0.5
91.05481	0.5
92.98910	0.2
93.07048	0.6
95.04958	1.3
96.08155	0.2
97.02895	0.3
97.06544	1.5
98.06068	0.2
105.04523	0.6
107.04957	100.0
107.08578	1.6
108.05297	0.8
108.08116	0.2
109.05619	0.2
109.10158	8.2
110.06049	0.6
110.09671	0.3
114.09097	0.1
117.07048	0.2
121.02882	0.6
124.11223	0.8
125.09634	0.6
126.05497	0.2
128.03424	0.2
128.10721	0.4
129.06654	0.3
130.05037	0.9
134.09642	0.5
135.08052	0.7
152.10696	3.9
153.09105	0.7
170.11771	4.6
188.12822	10.8
190.12253	1.5
208.06064	0.2
208.13365	0.7
218.11693	0.4
226.15294	0.2
229.09807	0.2
236.12778	1.0
239.69719	0.2
253.15488	0.3
254.13832	2.2
257.09088	0.2
271.10736	0.2
282.73679	0.2
285.03842	0.2
298.12668	0.2
299.15952	1.0
300.14487	1.8
317.11630	4.2
317.17068	28.9
318.17297	0.4
320.67059	0.2
329.06509	0.5
395.07748	0.2
395.18109	0.2
423.06854	0.9
423.21185	0.4
443.19968	0.2
461.21033	0.4
479.22116	0.9
585.26447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01876	2.6
55.05502	1.5
56.96548	1.3
57.03443	7.4
61.02913	1.8
69.03432	35.2
69.07064	1.4
69.47498	7.6
70.06594	1.3
71.01355	1.6
71.04983	4.1
73.02914	12.9
75.92767	1.3
79.05495	1.8
81.03423	14.9
81.07054	3.5
85.02911	21.8
87.04470	1.9
91.05481	10.9
93.07048	2.1
95.04992	2.1
95.08604	2.4
97.02898	21.4
99.00829	3.2
99.04453	9.4
101.02400	1.7
103.05482	10.2
105.07048	2.0
107.04974	4.9
107.08601	1.7
109.02892	11.2
119.04974	1.8
121.06489	1.9
123.11749	1.3
125.06038	1.3
127.03922	28.6
127.04835	2.1
131.04924	15.0
131.08549	2.3
137.02303	1.4
137.05975	3.3
145.04964	9.9
147.04433	1.4
149.01134	1.0
157.10123	1.5
161.13286	1.3
165.07051	1.5
166.07828	3.2
181.10120	13.5
190.07841	1.3
203.08627	2.4
204.09355	1.6
205.10170	9.7
210.06758	1.5
215.08586	13.2
225.09204	1.7
233.09607	20.6
243.05025	5.7
243.08102	2.0
251.10808	1.0
261.09143	10.7
279.10239	2.5
314.12292	1.3
349.16940	2.6
387.09247	4.4
405.10144	1.4
562.34644	1.2
585.26709	100.0
586.27301	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	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18712	2.3
52.06434	2.3
53.03937	3.3
55.01863	4.5
55.05513	22.5
57.07077	7.2
62.19906	2.7
65.03942	3.3
67.05510	39.0
69.07077	15.9
70.06573	3.1
71.04966	4.3
71.48927	2.5
74.02757	2.4
79.05495	32.7
81.03429	8.1
81.07060	42.1
83.04972	6.8
83.08616	24.1
89.06035	8.6
90.68331	2.3
91.05489	29.3
93.07050	34.0
95.04967	22.5
95.08620	28.3
97.06520	3.8
97.10157	5.0
105.07044	32.8
107.04969	14.6
107.08597	22.8
109.06512	11.1
109.10154	8.2
111.08091	3.4
113.09645	2.5
117.07044	14.1
119.08606	25.1
121.06504	8.7
121.10158	17.9
123.08121	6.4
123.11717	4.5
125.09668	5.4
128.06180	2.8
129.07007	3.5
131.08598	17.4
133.06468	4.3
133.08601	4.4
133.10147	23.9
135.08069	3.8
135.11705	8.5
137.09630	6.8
141.06970	2.9
143.08554	7.8
145.10150	23.8
147.08130	3.1
147.11685	10.3
149.09659	17.8
149.13271	2.8
151.11197	2.7
155.08548	5.8
157.10115	7.8
159.11705	13.2
161.13263	5.0
163.11201	19.6
165.12804	5.2
169.10132	4.2
171.11713	8.5
173.09589	5.5
173.13300	6.3
175.11232	3.5
177.11255	3.1
177.12749	3.1
183.11693	3.4
187.11221	4.0
197.13268	4.0
201.12791	3.1
209.13417	3.2
219.13834	4.6
223.13306	9.2
229.19673	2.8
236.48158	2.7
239.18007	8.7
247.20456	4.7
257.18951	15.1
275.20071	100.0
293.21115	52.0
311.29306	2.9
402.49673	2.8
519.62115	2.9
585.42389	5.4
585.56464	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	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01865	6.1
55.05312	2.6
55.05516	24.1
57.07073	5.2
66.76101	2.4
67.05511	36.3
67.85912	2.6
69.07073	19.6
70.06583	2.6
71.08619	3.4
71.49119	4.5
79.05492	30.2
79.78763	2.3
81.03415	8.8
81.07063	40.4
83.04974	8.0
83.08614	20.9
85.06560	3.6
89.06023	8.0
90.06439	2.5
91.05492	32.8
93.07055	31.3
95.04974	27.1
95.08613	26.6
97.06512	6.4
97.10168	3.6
101.71496	2.5
103.05465	2.5
105.07038	38.1
107.04962	14.7
107.08593	24.3
109.06507	9.0
109.10168	12.5
111.08042	5.8
115.05474	3.1
117.07020	10.9
119.08587	22.8
121.06512	6.9
121.10158	19.1
123.08066	3.5
124.08428	2.4
125.09625	4.0
129.06996	3.4
129.98698	2.3
131.08603	16.5
133.06485	2.3
133.08617	4.1
133.10144	23.3
135.08051	4.8
135.11703	7.5
137.09610	4.7
143.08566	8.1
145.06595	4.2
145.10135	21.9
147.08107	4.9
147.11691	12.7
149.09634	15.4
149.13252	4.6
151.11227	4.2
155.08578	5.9
157.10135	10.3
159.11707	11.7
161.09561	3.9
161.13261	5.2
163.11198	19.0
163.37311	2.5
165.12766	2.7
169.10165	4.4
171.11665	5.5
173.09680	4.3
173.13271	6.8
177.12720	2.3
179.75104	2.6
183.11646	2.5
187.14774	3.0
191.10815	2.4
195.11639	3.8
197.13377	3.6
199.14902	3.2
211.14917	3.1
215.14394	2.5
223.13245	7.5
229.19736	3.8
239.17993	6.7
247.20811	2.7
257.19061	16.3
275.20078	100.0
293.21155	57.5
300.29288	2.4
301.29266	2.9
311.29584	3.9
327.72324	2.4
371.22452	3.3
372.23233	2.4
585.42725	4.3
585.56543	22.2
592.62677	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01877	0.5
57.03446	0.5
58.50256	0.3
61.02921	1.2
69.03429	2.1
70.06602	0.5
70.11807	0.7
70.12170	0.6
73.50780	0.3
77.03958	0.4
79.05514	0.5
81.03413	1.4
85.02908	12.6
86.09700	0.7
91.03944	0.6
91.05482	4.7
93.07050	6.8
95.04973	1.1
97.02902	4.3
98.21467	0.4
99.04453	0.8
103.03955	0.4
103.05472	3.6
105.04516	0.5
107.04957	5.8
108.05737	0.3
109.02892	0.9
109.06505	0.7
119.04948	0.8
120.00300	0.3
121.06506	41.6
123.08067	1.9
125.06013	0.5
127.03899	2.9
133.06500	0.8
136.05194	1.1
137.05978	19.1
138.06726	0.8
139.07565	1.0
145.04967	4.4
145.06505	0.6
151.07544	23.9
161.06003	1.5
163.06084	1.6
163.07240	0.4
173.52562	0.3
175.07565	1.0
178.18910	0.4
183.79059	0.3
185.09659	0.4
213.09071	1.0
245.11734	100.0
246.12106	1.2
255.10089	0.6
257.11777	1.0
269.11707	4.6
281.11758	0.8
287.12741	1.3
293.11862	0.4
307.13089	0.5
311.12790	3.9
317.35095	0.3
335.12817	1.1
353.13742	1.5
371.14767	1.9
432.73563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	0.6
55.05500	0.6
61.46049	0.4
64.93379	0.4
65.13364	0.4
67.05489	0.8
70.06591	0.8
71.04981	0.5
71.48007	0.5
79.05487	2.5
81.03408	0.5
81.07058	1.8
85.06561	0.7
86.09718	0.5
91.05483	1.5
93.07031	3.8
95.04983	1.7
95.08607	0.7
97.06538	1.0
99.04477	1.0
103.05514	0.6
105.07024	1.4
105.23671	0.4
107.04959	100.0
107.08607	1.5
108.05293	0.6
109.06525	1.6
113.05982	0.5
119.04941	0.7
119.08587	0.9
121.06507	2.3
121.44598	0.4
122.03689	0.5
123.08101	0.5
125.31303	0.5
127.03838	0.6
127.07640	0.5
131.04953	2.3
133.06505	2.8
133.10101	0.6
135.08070	1.0
137.05983	6.1
137.89867	0.5
143.08571	0.6
145.06508	2.8
147.08089	0.7
147.11693	0.7
149.02376	0.5
155.08496	0.4
157.06509	0.8
157.10153	0.6
159.08047	1.0
159.11734	1.0
161.05972	2.0
161.09557	0.5
163.07561	0.8
171.08000	0.8
171.11687	0.7
173.09654	1.4
175.11160	1.2
185.09596	2.1
189.12756	1.1
195.08043	0.7
197.09619	0.9
199.11166	2.3
207.13748	0.8
209.09666	0.5
213.09108	1.7
215.10730	0.6
217.12257	3.2
223.11261	0.6
227.10646	2.7
228.23093	0.5
229.12300	0.8
233.11685	0.9
235.13287	7.4
239.06897	0.6
240.07640	0.5
241.08716	0.7
241.12248	1.0
245.11722	1.5
246.16763	0.4
253.14310	5.1
259.13348	1.6
263.14417	1.2
277.15762	0.5
279.10251	0.7
279.13940	0.6
281.15393	1.0
295.16998	0.9
299.16403	0.7
305.15411	1.5
313.17975	0.8
323.16449	6.1
340.15790	0.4
341.17496	6.5
357.15451	1.3
359.18634	1.0
371.12881	2.5
403.15372	3.4
420.15271	0.4
424.31348	0.9
529.94769	0.5
586.30188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
56.05023	3.3
66.37687	0.9
69.03432	1.3
70.06595	33.1
71.47588	1.4
71.47993	1.3
71.82805	0.9
72.08154	63.7
84.04505	30.3
84.08156	2.1
85.02890	1.5
86.09706	100.0
94.35858	1.1
95.80044	1.0
102.05540	20.3
107.04951	2.9
116.07095	72.0
126.91414	1.0
127.13997	1.0
129.06610	2.8
129.21725	0.9
130.05009	4.2
131.76591	1.1
145.05022	1.0
150.76897	1.0
153.93260	1.2
167.08182	2.9
168.06616	1.6
181.09770	2.2
185.16495	54.5
195.07689	4.0
197.13225	1.1
201.12340	3.1
209.09300	1.8
209.15347	1.9
213.08676	2.8
213.15981	38.7
227.10265	23.1
229.11880	6.0
231.09753	7.1
241.08200	7.1
243.13408	2.0
245.11278	4.3
259.09265	24.2
272.12811	3.4
279.54694	1.0
314.20667	1.4
338.13062	1.0
342.20288	19.6
354.16635	1.3
356.14597	6.8
358.16019	3.7
372.17792	2.2
374.15857	5.7
386.15613	2.4
392.46371	1.0
443.24973	6.4
471.24567	18.0
586.30664	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93703	0.4
55.01867	1.3
55.05505	2.3
57.03425	2.1
57.07066	0.7
61.02914	2.2
67.05487	1.7
69.03432	7.2
69.07068	3.6
70.06583	1.8
71.04980	0.9
71.48323	0.9
72.08149	0.9
73.02904	1.7
79.05479	2.3
81.03434	4.0
81.05820	0.5
81.07046	3.3
82.06574	0.7
83.04964	0.6
83.08610	1.8
84.08124	1.2
85.02910	14.0
85.06536	0.7
86.06068	8.0
86.09678	1.3
87.04469	4.3
91.03959	1.1
91.05492	2.7
93.07062	2.7
95.08595	1.8
96.08129	4.8
97.02885	4.7
97.06555	1.3
98.06053	1.9
98.09682	1.0
99.04454	3.3
103.05450	3.5
104.05783	1.6
105.04471	0.6
105.07018	1.0
106.06547	1.1
107.04302	0.9
107.04954	9.6
107.08613	2.9
108.05244	0.6
108.08099	2.1
109.02869	2.8
109.06506	1.1
109.10211	0.6
110.09652	1.9
111.08051	0.8
112.07600	0.8
116.10731	4.6
118.06555	6.0
119.08607	0.7
121.10126	1.2
122.09682	0.8
123.08112	0.5
123.11742	0.7
124.07584	1.5
124.11210	1.4
127.03940	3.8
129.05484	0.5
131.04926	12.8
132.05296	3.3
133.10046	0.7
134.09624	0.8
136.11194	0.6
137.05971	0.6
139.53159	0.5
140.10716	0.6
142.08646	6.9
145.04938	2.0
149.13220	1.5
151.11180	2.1
152.10747	1.0
154.12265	1.2
159.11668	0.8
166.15916	5.9
168.04089	1.2
169.12242	0.6
176.14342	0.7
191.08438	0.6
192.08662	0.6
194.15471	2.5
206.10312	0.8
210.18602	2.0
212.10736	12.7
212.16463	46.0
213.11032	1.0
220.34631	0.5
233.09517	0.6
234.09772	0.6
238.15512	0.6
238.18019	32.7
256.19080	100.0
257.19611	0.7
319.11737	0.8
374.21747	59.2
375.21933	0.7
406.29803	0.8
418.24478	4.1
424.30569	6.6
586.14587	1.2
586.36053	12.3
587.20886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.07080	33.4
67.05508	1.4
69.07057	2.2
71.08241	1.3
71.08634	24.4
73.06561	9.3
73.06945	1.2
79.29379	0.6
81.07063	1.1
83.08633	2.3
85.09666	0.9
85.10189	20.5
87.04473	6.7
89.06036	100.0
91.05458	1.4
93.07053	1.3
95.08633	1.6
97.10183	2.6
98.20801	1.7
99.11738	3.8
107.07075	1.9
111.11683	0.9
113.13270	1.6
117.09132	4.9
119.08518	0.9
130.08656	1.6
131.07053	2.5
133.08612	51.0
135.10178	0.7
155.17992	4.2
161.11734	1.6
175.09697	1.2
177.11243	20.2
177.12714	1.2
192.13345	0.7
199.20604	2.7
221.13875	4.4
239.14900	1.1
240.23293	1.1
243.23216	9.1
243.25505	0.7
265.16501	1.7
267.54788	0.7
283.17682	1.6
287.25769	4.9
327.20035	1.7
371.22562	0.9
415.25562	3.8
424.31503	0.9
569.42480	5.6
586.45007	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	587.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03946	1.9
55.01863	0.3
58.85480	0.3
59.16036	0.3
66.42442	0.4
69.03430	0.7
69.93240	1.3
79.05510	1.7
81.03419	0.4
81.07030	0.7
85.02898	0.6
87.50238	0.3
93.07056	0.4
95.04976	1.1
97.02879	0.4
105.04514	0.7
107.04958	100.0
108.05300	1.0
109.02895	0.4
123.04444	0.4
129.03140	2.5
145.10014	0.4
165.85385	0.3
167.06799	0.9
185.04254	2.4
195.06287	1.6
213.07344	49.0
214.07689	0.6
309.09399	0.6
319.11536	23.7
320.12018	0.7
375.12607	3.5
481.16806	25.3
587.21014	29.2
588.21399	0.8
612.90094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
53.03948	2.3
55.01862	0.5
64.46105	0.3
64.74260	0.4
67.05503	0.8
69.03431	0.9
69.07053	0.8
69.82322	0.7
69.82743	1.4
70.06622	0.5
77.03917	0.4
79.05499	2.2
81.03428	0.8
81.07056	1.2
84.08131	0.9
85.02911	1.8
91.05489	1.0
92.94979	0.4
93.07040	1.0
95.04977	1.8
95.08591	0.8
96.94514	0.4
97.02899	0.9
97.06544	0.5
103.05466	3.4
104.05787	0.6
105.04504	0.9
105.07047	1.4
107.04961	100.0
108.05292	1.1
109.02927	0.5
109.05506	0.5
109.10155	0.8
119.08559	0.7
121.06517	0.5
121.10156	0.9
123.04438	0.4
123.11714	0.5
127.03903	1.4
129.03117	3.2
131.04939	6.7
131.08577	0.6
132.05290	2.5
133.05507	0.5
133.06503	0.5
133.10127	0.9
145.06613	0.4
145.10147	0.5
149.05925	0.4
149.13249	0.5
151.07442	0.4
155.10707	0.4
157.10179	0.6
161.09630	0.4
167.06807	2.1
171.08118	0.5
173.91733	0.4
185.04213	4.4
187.11217	0.5
195.06335	5.2
197.09602	0.4
212.16396	0.4
213.07350	42.1
225.49481	0.5
241.08713	0.4
285.22330	0.5
303.22897	0.5
309.09485	1.4
319.11499	3.4
321.15125	0.5
357.11536	0.5
375.12622	4.4
419.16815	6.0
435.16394	3.3
446.77896	0.4
463.15784	5.8
481.16824	54.6
482.17523	1.1
587.21008	29.2
588.20923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03719	1.1
53.03949	12.9
54.43578	0.7
55.05500	1.6
56.29205	0.9
60.03938	0.9
61.02919	2.9
67.05493	2.9
68.99785	3.4
69.03451	5.2
69.07053	3.0
69.20557	7.6
71.04991	3.7
79.05482	3.2
80.07827	0.7
81.03423	14.1
81.07058	4.6
83.04972	2.6
83.06577	0.9
83.08614	1.0
85.02914	9.6
87.00830	12.4
89.13729	1.0
91.05494	2.0
93.07041	3.6
95.08613	6.3
97.02901	29.1
99.04462	4.1
99.08104	1.5
103.04814	1.8
103.05476	33.7
105.01871	11.0
105.04514	1.5
105.07026	3.6
107.04958	8.1
107.08597	10.7
109.02889	45.6
109.06505	2.7
109.10145	5.5
117.07065	1.0
119.08562	3.0
121.06496	1.8
121.10154	9.5
122.07314	1.1
123.08100	1.2
123.11665	0.9
125.09654	2.5
127.03930	36.6
129.01866	5.0
131.04939	100.0
131.08551	1.9
133.10129	3.8
135.08052	3.4
135.11674	1.4
137.09616	8.1
139.11186	0.9
145.04935	2.2
145.10094	2.3
147.02875	3.3
147.11673	2.7
149.06010	1.7
149.09601	4.2
149.13242	5.8
151.11201	21.5
161.61389	1.0
163.11246	0.9
163.14841	2.4
165.12782	1.8
171.11571	0.9
173.13208	2.6
187.81351	1.0
191.14336	20.7
209.15382	12.2
213.04031	5.3
231.05009	9.4
255.39642	0.8
339.22449	0.8
379.10220	7.9
460.67987	0.8
569.40198	0.9
587.27948	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	587.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36281	0.8
53.03951	14.3
55.05508	2.0
57.07056	1.1
61.02921	2.4
61.49744	0.8
67.05502	3.7
68.72334	0.9
68.99780	3.4
69.03433	6.7
69.07071	2.7
71.04984	2.4
71.08858	2.5
72.41275	0.7
73.02900	0.8
75.55286	0.8
79.05500	3.1
79.81053	0.7
81.03425	15.4
81.07047	4.6
83.01331	0.8
83.04977	2.8
83.08638	1.4
85.02914	11.0
85.06547	1.1
87.00832	11.3
91.05482	2.9
93.07044	2.4
95.04954	3.2
95.08599	4.1
97.02901	22.7
99.04461	3.9
101.76090	0.8
102.04642	0.8
103.05473	33.4
105.01874	10.9
105.04525	1.5
105.07036	3.6
107.04964	6.1
107.08593	9.6
109.02887	41.9
109.06518	4.4
109.10157	4.2
119.08559	4.3
121.06477	1.9
121.10144	12.9
122.07320	2.1
123.08081	3.0
123.11726	2.0
127.03928	35.4
129.01845	3.5
131.04938	100.0
132.05219	0.9
133.10152	4.6
134.05978	0.8
135.08047	3.4
135.11694	1.0
137.09627	14.5
145.04980	2.4
145.10126	1.4
147.02895	2.7
147.04446	0.9
147.11699	2.2
149.05984	1.3
149.09628	4.7
149.13263	4.4
151.11195	23.3
155.85101	0.9
163.14804	1.8
165.12756	18.5
172.43729	0.9
173.13260	2.1
183.02966	0.9
191.14336	14.8
193.15906	4.0
209.15372	44.5
213.03905	4.8
231.04948	6.4
290.48157	1.0
291.89972	0.9
379.10303	8.4
445.52344	0.9
456.56561	1.0
481.16165	1.1
497.47638	0.9
587.28094	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	587.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05516	21.1
57.03428	11.7
57.07082	61.8
67.05510	42.4
69.07078	25.7
71.08638	37.2
71.48811	3.5
71.49181	3.6
79.05506	26.9
81.07059	57.0
83.04981	2.9
83.08631	20.4
85.06517	2.8
85.10198	21.2
91.05489	42.3
93.07053	27.4
95.04964	4.7
95.08052	2.3
95.08611	60.4
97.06556	3.6
97.10180	10.4
99.08125	2.9
105.07033	43.1
107.04929	3.6
107.08601	20.2
109.10162	18.4
115.05483	5.1
117.07021	34.4
119.08600	30.6
121.06538	3.7
121.10151	8.8
123.11708	6.2
128.06247	3.8
129.07016	12.4
130.07860	3.6
131.08569	40.2
133.10149	21.2
135.11699	5.1
141.07010	3.7
143.08557	14.1
145.10133	64.0
147.11728	20.1
149.09628	5.5
157.10144	16.6
159.08098	3.0
159.11705	47.9
161.09660	2.5
161.13283	7.1
169.10187	7.7
171.11703	14.1
173.13235	16.9
175.11241	4.2
175.14854	4.7
183.11705	8.0
185.13303	15.8
187.14798	3.1
197.13240	6.4
201.16512	4.6
203.14368	5.9
211.14825	3.2
219.17450	19.6
229.19592	10.9
239.17929	24.7
239.23853	6.0
257.19009	66.8
259.16754	4.9
275.20071	39.4
313.27356	46.7
313.30798	4.0
331.22681	21.5
496.06403	3.4
528.84924	3.2
587.46661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.0
57.05818	0.3
67.05517	0.3
69.07072	6.6
69.24854	2.6
70.06593	0.6
74.06089	3.4
84.04520	0.9
85.44310	0.3
86.09708	100.0
87.10056	0.4
98.06052	0.7
102.05560	0.7
107.04943	1.4
116.07146	0.6
126.05525	8.3
130.05003	0.6
144.06587	0.4
148.06078	2.9
153.06598	1.6
157.13364	4.1
164.07159	0.4
169.09778	0.9
182.08197	0.4
185.12866	1.0
194.13884	0.4
197.09221	15.4
199.18094	1.1
215.10268	5.5
227.17574	1.9
238.15770	0.4
261.14471	7.2
282.18146	0.8
298.21252	0.5
300.19186	13.9
310.17752	0.3
328.18686	27.8
329.18884	0.4
374.22803	0.6
416.37216	0.3
441.27084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.03446	1.2
63.26525	0.8
67.05508	2.4
67.56060	0.7
69.03429	5.2
69.07071	6.0
70.06582	1.6
70.52109	0.9
70.52459	2.1
71.05004	1.2
71.08632	8.0
72.08151	3.1
73.02910	0.8
73.06572	0.8
79.05492	2.3
81.03416	2.4
81.07075	5.3
83.08620	3.8
84.08150	2.0
85.02905	5.9
86.06074	16.5
87.61887	0.8
91.05479	1.4
93.07039	3.5
95.08615	4.7
96.08122	3.3
97.02899	4.2
97.06522	2.3
97.10162	1.5
98.06081	1.0
98.09693	6.5
98.21389	1.1
99.04453	1.6
99.08094	10.7
107.08585	2.8
108.08114	3.0
109.02897	1.9
109.10139	1.6
111.08064	1.5
116.10732	49.8
121.10165	1.3
122.09677	3.2
124.07578	1.1
126.09161	1.0
127.03911	3.6
131.04858	0.9
135.11702	0.8
136.11206	1.6
140.10722	1.1
143.10675	3.0
145.04916	1.2
149.13274	4.6
154.15907	3.1
159.11670	1.0
166.15933	2.7
167.14366	1.7
168.17538	1.0
172.82138	0.8
178.16022	1.0
196.17033	5.2
214.18027	100.0
231.15924	6.3
238.17984	1.4
255.12035	0.8
257.17477	3.1
261.13348	2.2
292.22708	1.9
310.23740	10.9
313.04599	0.8
328.24811	61.9
329.25229	1.1
339.18030	1.3
376.23318	13.3
406.46161	0.9
408.30881	2.3
415.83859	0.9
426.32108	11.8
429.73071	0.8
490.30109	14.9
588.21875	1.3
588.37537	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	588.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.8
57.07068	10.6
67.05511	42.3
69.07049	13.0
70.67879	6.7
70.68228	10.5
79.05491	31.6
80.04568	3.8
81.03408	4.9
81.07059	37.6
83.04962	8.0
83.08599	15.8
91.05480	27.6
92.06326	4.0
93.07057	32.3
95.04970	24.4
95.08643	27.8
97.06536	6.8
97.10147	8.7
99.22540	4.3
99.83279	4.5
105.07029	30.1
107.04926	6.3
107.08580	14.7
109.10142	13.3
117.07025	12.0
119.08567	22.4
121.06422	4.4
121.10120	17.4
123.08038	7.8
131.08545	13.4
133.10136	22.2
135.11707	7.1
136.58121	4.5
143.08531	6.0
145.10138	21.7
147.11682	14.7
149.09595	19.6
154.47433	4.8
159.11684	12.2
163.11163	18.9
169.10109	5.1
171.11688	7.7
173.09549	5.9
185.13210	4.6
223.13281	18.3
229.19547	6.8
239.17824	10.1
248.23419	5.1
257.19000	19.2
275.20056	100.0
276.20404	11.8
277.21719	7.0
293.21033	29.4
392.77475	4.7
485.58542	5.0
588.46729	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	589.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05519	2.9
56.88023	1.6
58.65653	1.6
67.05508	4.3
69.03439	2.1
70.06579	2.3
71.48028	2.0
72.07743	1.6
78.28444	1.6
79.05477	3.7
81.07066	4.0
86.09705	3.4
91.05492	4.0
93.07043	2.9
95.08591	3.4
100.17042	1.8
104.09319	1.8
105.07030	4.3
105.75134	1.5
107.04961	71.6
107.08605	2.2
119.08566	2.5
127.00065	4.1
129.03111	9.1
131.08562	2.9
133.10133	2.3
145.10141	3.2
159.11636	2.5
175.11336	1.8
177.72841	1.8
183.07991	2.1
184.07385	6.6
211.07507	2.4
229.12006	5.2
241.08624	4.7
257.08215	5.0
264.85031	1.8
273.11008	23.6
291.12125	4.7
333.13123	23.7
335.16074	4.7
377.12112	74.2
377.16864	4.0
379.15164	15.6
397.15921	2.0
439.17136	10.0
483.16327	100.0
484.16702	3.8
485.19373	11.1
495.18137	2.6
503.20557	3.1
545.21594	7.2
589.20593	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	589.2226
Annotation	8-(4-Hydroxybenzyl)-4',5-Dimethoxy-2,2',7,7'-tetrahydroxy-9,9',10,10'-tetrahydro-[1,3-biphenanthrene]
Peak:m/z	Relative Intensity
51.02378	0.4
53.03951	2.3
55.05511	0.8
67.05497	0.8
69.03416	0.9
69.07070	0.9
70.06571	0.6
70.59621	1.2
77.03927	0.7
78.14412	0.4
79.05502	2.7
80.93930	0.4
81.03410	1.2
81.07054	1.4
83.08588	0.5
85.02917	0.8
85.06570	0.7
91.05477	1.0
93.07046	1.1
95.04972	2.2
95.08617	1.2
97.02850	0.5
97.06544	0.4
97.61638	0.4
103.05463	2.2
104.05834	0.5
105.04528	0.8
105.07011	1.2
107.04960	100.0
107.08606	1.4
108.05263	1.7
109.02880	1.3
109.06506	0.5
109.10201	1.0
119.08583	0.7
120.08089	0.5
121.06520	0.5
121.10175	0.8
123.04498	0.5
125.69429	0.4
127.03944	1.1
131.04933	5.0
132.05269	1.2
133.05545	0.5
133.10155	0.9
137.09685	0.5
141.07001	0.8
145.10153	0.5
151.07541	1.1
152.06189	1.3
153.07025	1.7
154.07751	0.4
155.08713	0.5
157.06459	0.9
159.11765	0.7
161.05946	0.7
165.07076	2.2
165.12764	0.8
167.08618	1.8
168.72899	0.4
169.06487	1.0
169.10091	0.6
170.07312	0.8
173.13344	0.5
175.14864	0.5
179.08591	0.9
181.06487	4.2
182.07310	2.9
183.08087	1.3
185.06027	0.4
185.09627	0.6
193.06560	0.4
195.08089	3.4
197.05977	2.0
197.09618	2.3
198.06773	4.2
199.07544	1.4
207.08115	0.5
208.08932	0.5
209.06082	1.0
209.15402	1.0
210.06752	1.5
210.15829	0.8
211.07530	1.9
213.09079	3.1
223.07510	2.0
225.05557	1.0
225.09134	3.7
226.09917	1.2
227.07103	1.1
227.10632	0.5
238.06250	0.8
239.07004	1.9
240.07899	0.7
241.08604	36.7
242.09335	4.2
253.08614	15.7
254.09360	3.7
255.10222	1.6
271.09723	0.9
295.02740	0.5
315.10516	0.5
347.12811	23.4
348.13483	3.2
356.39777	0.4
463.15802	0.6
464.16238	1.0
481.16544	0.8
482.17499	3.2
483.18106	9.0
495.18140	8.9
589.22186	6.4
589.32117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94897	1.0
60.50933	1.0
98.20734	2.0
98.97607	1.3
181.70044	1.3
284.19601	1.2
311.37723	1.0
408.32788	1.1
423.15790	1.3
589.22601	100.0
590.22968	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	589.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
54.71227	0.8
58.62046	0.8
61.62469	0.9
67.05501	2.7
69.93053	3.0
78.14922	0.8
79.05479	0.9
91.05481	1.0
94.06559	3.5
106.84595	0.8
107.04959	53.0
108.07101	0.7
122.06045	13.1
127.16949	0.8
136.07581	34.4
156.80815	0.8
157.55711	0.8
164.07079	90.4
182.08136	100.0
183.08414	0.9
237.56587	0.9
264.10394	0.8
268.72507	0.9
303.13339	3.5
304.11734	1.0
321.14453	10.6
359.15717	0.9
486.19293	0.8
535.85242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90796	2.2
53.03945	14.3
55.05508	5.4
61.02942	4.0
67.05492	7.2
68.99801	2.8
69.03419	5.1
69.07079	3.2
71.04978	3.7
71.48871	2.0
71.49252	2.8
72.47307	1.8
79.05492	6.4
81.03420	13.9
81.07055	12.3
83.04995	2.4
83.08582	2.3
85.02915	14.3
87.00824	12.8
91.05477	5.7
93.07040	6.2
95.04950	3.0
95.08598	7.5
97.02892	24.5
97.23164	1.8
99.04459	5.4
103.05471	33.7
105.01863	8.8
105.04493	2.3
105.07026	9.2
107.04959	49.5
107.08598	8.4
108.05260	2.2
109.02884	35.4
109.06511	2.8
109.10169	27.2
119.08599	9.6
121.06482	2.8
121.10171	4.2
123.08046	3.6
123.11716	3.3
127.03924	33.1
129.01808	5.4
131.04936	100.0
132.05171	2.1
133.10097	8.3
135.10733	2.1
135.11703	30.8
137.09628	4.4
145.10155	3.2
147.02840	3.3
149.05965	2.4
149.13272	2.2
151.11270	2.7
165.07004	3.4
169.10017	2.2
175.14828	13.3
181.06490	3.8
182.07071	3.0
193.15929	12.4
211.16949	9.1
213.03941	6.0
213.09167	7.8
225.09232	2.4
231.04956	6.9
241.08572	15.3
253.08643	5.9
255.10216	4.0
337.87241	2.2
342.28314	2.1
347.12717	4.7
379.10114	11.4
411.12262	5.7
427.15491	9.0
463.15405	6.1
467.36536	2.5
483.17926	8.1
495.18173	17.6
589.21832	7.2
589.34625	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	589.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71619	0.3
53.03945	0.8
55.01854	0.5
55.03429	0.3
55.05521	3.2
57.03437	0.9
57.07080	4.0
59.01434	0.3
63.02362	0.5
65.03915	0.4
67.05514	5.3
69.07072	4.1
71.08634	4.4
71.49400	0.4
73.58681	0.3
79.05496	3.3
81.07056	6.1
82.09720	0.3
83.04969	0.7
83.08617	2.3
85.06503	0.4
85.10207	0.6
89.03921	5.1
91.05476	2.5
93.07050	4.3
95.04961	0.8
95.08610	4.9
97.06501	0.8
97.10149	1.3
99.08070	1.3
105.07037	2.3
107.04956	0.6
107.08597	2.9
109.06499	0.5
109.10144	2.8
117.03384	14.2
117.07026	0.7
119.08607	2.0
120.38068	0.4
121.10160	3.0
123.11718	0.5
126.61082	0.3
131.08565	0.5
133.10139	1.5
134.03636	1.1
135.04430	0.6
135.11711	2.5
135.96558	0.4
141.09105	0.6
143.08525	0.6
145.02855	37.3
145.10110	1.1
146.03151	0.4
147.11697	1.1
149.06001	4.7
149.13271	1.1
151.11157	1.0
159.11670	0.6
161.13263	1.4
162.03139	0.4
163.03926	0.9
163.11189	0.4
171.11742	0.5
175.14990	0.4
177.05478	100.0
178.05876	0.7
179.14320	6.5
185.13303	0.7
186.05469	1.8
195.06570	1.5
251.09201	0.6
259.20621	1.2
277.21628	5.7
295.22699	0.5
313.27399	0.6
342.08524	0.4
342.76544	0.3
589.40723	4.3
589.48395	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81467	2.1
53.03949	4.5
55.05516	18.2
57.03445	11.4
57.07081	49.0
67.05509	54.2
69.07072	18.2
69.43493	8.9
69.43918	8.3
71.04983	3.9
71.08636	32.6
79.05499	39.1
81.07056	53.0
83.08639	17.3
85.06526	3.2
85.10194	13.5
91.05482	50.3
93.07049	46.2
95.04946	5.6
95.08079	3.1
95.08617	42.3
97.06538	3.4
97.10162	9.6
105.07032	50.8
107.08607	26.2
109.06478	2.6
109.10133	16.5
117.07027	13.9
119.08588	52.9
121.10164	20.2
123.11666	6.9
128.06107	2.5
129.06999	8.1
131.08585	20.8
132.48961	2.6
133.10136	42.7
135.11688	17.1
137.13300	3.4
143.08588	11.4
145.10141	21.6
147.10698	2.9
147.11708	42.1
149.13280	12.8
151.11140	3.8
157.10100	9.3
159.11734	18.4
161.12010	2.5
161.13277	29.6
163.14801	5.6
171.11691	14.0
173.13301	11.6
175.14821	14.9
185.13257	9.7
187.14883	3.8
199.14835	5.9
231.17607	2.4
231.21126	14.4
239.23689	5.3
241.19539	45.3
259.17725	3.1
259.20587	95.8
277.21585	7.5
313.27374	100.0
315.23163	7.4
333.24216	51.8
341.97867	2.6
351.25394	3.4
535.13458	2.3
567.61047	2.9
571.46863	8.0
589.48627	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73589	4.0
53.03945	8.4
55.05520	32.5
57.03433	12.6
57.07084	59.2
57.32825	4.2
65.03920	4.8
67.05508	88.8
69.07079	36.8
71.08631	35.3
71.49325	5.1
79.05497	62.5
81.07058	89.4
83.08624	30.5
83.87183	4.8
85.10185	21.7
91.05490	79.2
93.07047	70.4
95.08611	84.4
97.10158	12.3
100.80533	4.6
105.07030	74.8
107.08601	43.7
109.10175	34.8
117.07023	16.5
119.08598	67.1
121.10159	33.6
123.11690	17.5
124.06861	4.7
129.07021	12.5
131.08595	27.4
133.10136	48.1
135.11710	34.1
143.08562	11.4
145.10109	21.5
147.11702	66.6
149.13248	18.4
157.10103	11.2
159.11696	24.1
161.13248	40.4
171.11676	15.2
173.13261	14.5
175.14792	7.3
185.13235	10.1
187.14815	4.4
189.12747	4.0
199.14807	11.0
215.12210	4.5
231.21027	9.5
239.23714	5.1
241.17175	6.0
241.19521	39.6
259.17795	4.9
259.20575	100.0
261.22128	11.8
276.10898	4.7
277.21759	4.7
284.62402	4.9
284.65640	4.5
311.25766	15.9
313.27374	100.0
315.23337	8.3
333.20493	6.2
333.24292	66.5
335.25879	13.6
571.47369	20.9
589.49109	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76956	1.4
53.03943	3.8
55.01866	1.7
55.05512	21.7
57.03442	12.6
57.07077	54.7
61.98381	1.4
65.03940	4.7
67.05506	51.8
69.07064	21.5
69.83512	2.9
69.83921	5.3
71.04990	2.4
71.08633	34.1
79.05492	38.4
79.79308	1.5
81.07059	51.2
83.08613	16.6
85.06520	2.9
85.10174	17.2
91.05482	57.6
93.07044	46.2
95.05000	3.7
95.08609	50.8
95.09083	1.3
97.06552	4.4
97.10164	8.6
98.20831	1.7
99.08099	2.6
99.11736	2.0
103.05498	3.4
103.07565	1.9
105.07036	61.9
107.08598	24.6
109.06570	2.5
109.10157	20.2
111.08087	3.7
111.11724	2.0
113.09652	1.5
115.05478	1.5
115.23433	1.4
117.03380	4.2
117.07021	13.8
119.08581	50.2
121.10149	21.4
123.11680	7.7
125.09640	2.4
128.06238	2.5
129.05550	1.7
129.07018	8.5
130.07811	1.7
131.08566	20.1
133.10138	43.4
133.11108	2.9
135.11694	18.6
137.13258	3.7
137.65915	1.3
143.08516	10.1
145.02827	9.9
145.10132	22.0
147.11693	47.3
148.58406	1.5
149.05917	2.2
149.13268	9.7
151.11241	2.7
152.90472	1.5
157.10152	9.1
159.11684	20.1
161.13257	41.3
163.11203	4.1
163.14864	4.1
169.10304	1.8
171.11670	13.9
173.13261	15.3
175.14807	18.3
177.05464	28.1
177.12791	1.7
179.14287	1.8
185.13272	12.2
187.14862	3.9
194.58339	1.8
199.14862	6.5
213.16319	2.9
215.17950	2.0
217.19464	2.1
231.21111	11.7
239.23721	6.6
241.19525	43.5
243.21152	2.7
259.16455	1.8
259.17737	1.7
259.20575	98.9
277.21561	5.5
313.27365	100.0
314.27805	2.1
315.23080	6.2
333.24219	47.1
351.25186	2.5
352.37787	1.9
497.43433	2.8
571.47168	8.2
589.48682	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	590.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01875	0.8
55.99775	0.5
57.03434	0.9
61.02919	1.9
61.29778	0.5
65.03930	0.6
69.03432	2.9
69.07121	0.5
70.06585	3.2
71.19308	0.9
72.08128	0.9
73.02904	0.5
81.03432	1.5
81.07047	0.6
84.08174	0.8
85.02906	15.3
85.06554	3.6
86.09702	2.3
91.03935	0.7
91.05489	6.4
92.90317	0.5
95.04969	0.8
95.08586	0.5
96.53801	0.5
97.02898	4.1
99.04465	0.6
107.04958	4.9
107.38396	0.6
109.02855	1.3
110.07156	1.6
119.04951	16.7
123.04410	1.1
127.03916	3.4
129.10219	0.9
136.07585	1.0
137.05975	0.9
145.04941	5.1
146.28299	0.6
147.04414	100.0
148.04697	1.4
163.06064	1.5
165.05482	47.6
231.10170	5.5
245.12764	0.5
309.09753	0.9
346.18616	0.6
361.35031	0.6
393.15366	2.0
543.35034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45338	1.1
57.03441	1.5
61.02917	3.7
69.03436	7.6
70.06568	3.5
70.51757	1.7
70.52059	1.5
71.06940	1.2
72.08163	1.3
73.02918	1.9
73.50618	1.0
77.61949	1.0
81.03403	3.1
84.04481	1.2
85.02908	31.7
85.06556	7.9
86.09682	1.8
89.02421	1.6
90.48895	1.1
91.03967	1.2
91.05456	5.4
93.07048	1.2
97.02911	5.7
99.04459	1.9
107.04962	10.0
109.02866	2.9
119.04947	13.3
121.02920	1.8
127.03932	6.0
127.28381	1.1
128.47778	1.3
129.75371	1.3
142.08653	1.3
142.09792	1.0
142.91603	1.0
145.04973	10.8
147.04416	100.0
163.06058	3.4
163.07443	1.1
165.05486	65.5
168.82072	1.2
177.18321	1.2
191.93040	1.0
229.10667	1.7
231.10135	7.6
231.76689	1.2
244.15512	1.4
299.05380	2.0
309.09677	1.3
327.10724	1.9
339.08575	4.7
393.15442	2.9
428.13074	6.3
429.16812	1.5
471.09222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
63.48949	0.6
64.34913	0.6
66.04722	0.8
67.05491	2.7
69.07086	1.1
70.06599	0.8
71.48173	1.3
79.05486	3.3
81.03407	0.8
81.07053	3.4
83.08616	0.9
85.02917	0.7
91.05489	6.8
91.07868	0.7
93.07031	2.7
94.04191	4.1
95.04970	1.2
95.08610	2.1
97.06577	1.1
97.97717	0.6
103.05466	1.6
104.16233	0.8
105.07024	1.9
107.04955	3.3
107.08572	0.8
108.23960	0.6
108.89417	0.7
109.06504	1.7
109.10138	1.4
115.05492	3.3
117.07041	3.2
119.04939	1.8
119.08605	1.1
121.10149	1.0
122.03653	10.0
123.08088	1.0
128.06248	2.3
129.07005	2.5
131.04953	2.7
131.08536	3.6
133.06517	2.0
133.10136	0.9
135.08080	0.9
137.05984	100.0
138.06389	0.9
139.07483	0.8
141.06958	0.7
143.04979	0.9
143.08589	3.6
144.05673	0.8
145.06522	2.7
145.10115	1.1
146.03641	1.5
149.06032	1.5
151.07539	8.6
157.06544	1.3
159.08060	1.9
160.05202	5.4
161.05998	6.3
163.07549	3.4
165.09171	0.8
170.56847	0.7
171.08076	3.5
173.05942	0.7
174.06712	3.5
175.07542	11.1
177.05501	1.8
177.09111	2.4
188.08342	2.9
189.09105	12.6
190.02690	1.4
191.10751	1.9
201.05499	2.5
201.09056	1.2
203.10684	15.5
203.12576	0.8
205.04961	18.2
227.06950	1.0
229.04976	0.9
242.09430	3.2
247.06012	21.8
255.10083	1.3
291.10504	1.0
295.13272	1.5
313.27310	1.0
325.14279	1.4
327.15991	4.2
485.18173	1.0
591.20435	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	591.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41635	0.6
67.05493	1.7
68.08871	0.6
69.20439	6.5
79.05508	2.3
81.07040	1.6
88.81613	0.6
89.44495	0.6
91.05492	5.8
93.07027	0.9
94.04189	4.6
95.04972	0.9
95.08585	1.2
98.21547	1.4
103.05459	2.0
104.82761	0.6
105.07054	1.2
107.04954	2.0
109.06512	1.1
109.10195	0.9
115.05461	4.1
116.06262	0.8
117.07024	1.8
119.04944	2.2
121.06481	1.1
122.03655	9.3
128.06216	2.8
129.06999	3.4
131.04961	2.6
131.08565	3.7
133.06511	1.8
135.08014	0.6
137.05978	100.0
139.07542	0.9
143.04922	1.3
143.08554	3.4
145.06487	3.6
145.10063	0.9
146.03644	2.5
149.05945	1.7
151.07553	8.6
157.06511	1.6
159.08072	2.6
160.05203	5.6
161.05971	7.2
163.07529	2.9
165.09113	0.9
171.08073	3.8
173.06021	1.1
174.06783	4.7
175.07561	12.2
177.05492	2.4
177.09122	1.8
187.07594	0.7
188.08334	2.6
189.09106	13.7
190.02605	2.6
191.10664	2.5
192.00446	0.7
201.05455	2.2
203.10678	15.0
205.04958	17.2
206.90805	0.7
219.06448	1.0
229.05132	0.9
230.36586	0.6
247.06021	22.2
249.48511	0.7
263.10724	0.7
295.13315	2.0
297.93320	0.6
301.62445	0.6
325.14026	0.8
327.15994	4.6
554.93835	0.8
591.19910	1.7
591.30304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.61211	0.5
61.51495	0.4
63.29095	0.5
63.86250	0.5
70.06628	0.7
71.20169	0.5
71.20522	1.1
72.08155	0.5
73.24921	0.5
76.10516	0.4
79.05514	1.8
81.05795	0.5
82.12759	0.5
84.08167	1.0
86.09729	1.6
95.05009	0.8
96.08138	3.5
105.04561	0.6
107.04961	51.9
124.07600	16.9
126.05524	0.6
129.10263	0.6
136.07588	33.2
138.09138	1.4
140.07069	0.5
150.69009	0.5
164.07077	89.1
165.07458	0.8
182.08138	100.0
183.08517	0.9
200.19318	0.5
286.12784	0.6
288.12234	1.2
305.14966	4.1
323.16074	12.8
370.78683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
69.03411	1.5
69.16948	8.3
69.17226	0.7
71.13643	0.7
72.08149	0.7
77.03955	0.8
79.05491	2.2
85.02908	3.0
86.09717	2.9
93.07039	0.9
95.04967	1.5
96.08118	4.0
97.02898	1.5
98.21543	1.4
107.04958	83.1
108.05321	1.1
113.63672	0.8
122.06030	1.0
123.04447	3.0
124.07587	21.1
127.03899	0.9
136.06520	1.7
136.07578	34.6
138.09138	2.2
144.02277	0.8
145.04919	0.8
164.07069	90.2
165.07309	1.3
182.08131	100.0
183.08464	1.6
288.12271	0.9
305.14908	3.1
323.16025	25.1
487.42538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.05513	18.5
55.44442	3.6
57.03444	4.0
57.07075	7.7
58.62816	4.7
59.30762	4.3
60.24626	4.5
67.05508	17.5
69.03439	8.7
69.07076	41.2
70.06606	8.1
71.47975	5.1
79.05494	16.3
81.03422	14.2
81.07054	44.5
83.04996	4.2
83.08624	22.3
85.02914	10.8
85.06567	5.0
87.00860	7.4
87.04470	4.8
91.05505	22.5
93.07051	100.0
95.04992	21.0
95.08609	48.1
97.02891	7.1
97.06528	11.7
97.10168	7.2
105.07026	16.9
107.04970	41.5
107.08593	20.7
108.05296	4.4
109.02901	10.9
109.06529	4.8
109.10175	24.3
111.08075	9.4
115.14531	3.7
117.07030	4.3
119.08582	9.7
121.06510	5.5
121.10161	23.5
123.04441	12.8
123.08076	4.7
123.11710	21.8
125.09628	5.1
125.63480	4.0
127.03922	11.5
131.04936	8.0
131.08546	6.6
133.10121	10.1
135.11723	8.6
137.05991	11.4
137.09615	5.9
137.13354	4.6
139.11275	4.9
143.08652	4.5
145.10135	9.9
147.04433	4.7
147.11752	8.9
149.09630	5.5
149.13283	15.8
151.11176	4.4
159.11703	10.4
159.45700	3.8
162.51344	3.7
165.12833	4.6
167.10617	4.1
175.14761	5.3
185.15520	7.4
244.77679	4.4
271.24207	9.8
289.25229	20.7
295.26331	6.5
307.26367	56.8
325.27298	24.1
349.53040	4.3
591.34241	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	591.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01876	3.4
55.05514	16.4
56.97737	1.4
57.03436	3.4
57.07082	8.4
59.05008	1.8
64.24221	1.4
65.03935	1.6
67.05507	16.6
69.03425	6.3
69.07075	46.9
70.13981	2.5
70.14372	3.4
71.04995	4.5
71.08633	3.2
73.35996	1.3
73.78876	1.4
74.84489	1.3
77.03892	1.7
79.05495	12.1
81.03440	6.4
81.06599	2.7
81.07066	49.7
83.04958	2.0
83.08620	25.5
85.02919	11.1
85.06549	3.1
85.48874	1.4
87.00831	4.6
87.04462	3.4
91.05487	15.0
93.07049	100.0
95.04981	24.3
95.08615	50.1
97.02903	5.9
97.06541	9.0
97.10177	5.6
98.20822	1.4
99.04465	1.5
99.08094	2.3
104.82031	1.3
105.01857	3.3
105.04471	1.7
105.07043	13.4
107.04967	10.3
107.08606	21.2
109.02865	4.4
109.06515	5.1
109.10164	26.3
111.08083	13.9
111.11724	2.4
117.07040	2.1
119.08585	8.6
121.06485	2.6
121.10154	31.4
123.08086	3.5
123.11718	17.9
125.09639	5.0
127.03909	7.2
131.08595	5.1
133.10165	7.7
135.11716	11.2
137.09650	2.7
137.13261	4.2
139.11171	5.0
145.04997	2.2
145.10150	6.2
147.11673	6.0
149.09723	2.9
149.13286	13.7
151.11154	1.7
151.14801	1.7
159.02930	2.0
159.11691	9.3
161.13304	6.2
163.11174	2.8
163.14809	5.3
167.14256	6.5
169.10129	1.6
173.13197	5.0
175.14827	2.3
177.12814	3.0
177.16437	2.3
185.15370	6.0
187.14809	2.4
189.16373	1.8
191.17972	2.4
195.13835	1.7
195.17490	1.8
201.16426	3.1
209.19162	3.5
213.03764	1.4
215.17995	4.1
219.17487	1.6
231.21027	1.6
245.22711	2.8
261.25851	2.5
271.24207	11.9
289.25308	22.0
295.26288	11.3
307.26328	80.3
308.26691	2.3
325.27390	35.1
415.28625	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	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.9
55.01859	9.5
55.05512	16.6
57.03437	3.3
57.07066	13.9
67.05508	30.0
69.03432	16.1
69.07071	37.9
69.34525	10.0
69.34941	15.0
70.06593	13.5
71.04987	6.1
79.05494	22.7
80.20610	3.4
81.03403	11.6
81.07057	100.0
83.04958	6.1
83.08620	19.2
84.08128	5.4
85.02907	21.9
85.06563	18.1
86.09697	8.2
91.05484	19.8
93.07056	36.9
95.04956	8.8
95.08611	68.9
97.02898	10.1
97.06524	13.3
97.10174	6.1
98.20805	6.6
99.04436	7.4
105.04552	3.7
105.07022	24.5
107.04958	66.1
107.08583	34.1
109.02901	6.4
109.06520	6.2
109.10162	38.6
111.08084	34.4
111.11741	5.5
119.08591	17.1
120.08125	3.6
121.06509	6.5
121.10153	29.8
123.04436	3.8
123.08100	8.2
123.11725	26.6
125.05939	4.2
127.03908	6.9
129.07098	4.8
129.09149	3.8
129.41675	3.5
131.04910	5.3
131.08560	8.4
133.06427	3.7
133.10124	15.0
135.08061	4.4
135.11707	27.4
137.05969	7.8
137.13264	14.2
139.11227	4.0
140.10712	7.5
141.09032	3.7
144.76813	3.4
145.05070	3.1
145.06433	4.7
145.10104	11.4
147.04367	5.3
147.11678	11.6
149.13271	14.3
151.11171	7.2
151.14925	7.2
155.14339	4.6
159.11696	13.8
161.13284	5.8
163.11183	6.7
163.14833	7.7
165.12663	6.0
168.91840	3.2
170.09410	3.3
173.13284	3.8
175.14816	5.8
177.16371	5.0
181.12233	4.0
185.13393	3.5
189.16360	6.0
201.16385	5.4
209.18982	5.5
213.03995	3.2
213.09230	3.8
215.10352	4.3
225.09158	4.1
237.22160	6.7
258.19171	4.2
271.24277	9.7
277.25229	4.2
289.25302	39.9
295.26318	4.7
307.26337	55.3
313.93387	3.4
325.27420	36.6
331.04361	4.3
411.33228	5.7
429.11667	15.6
546.00757	4.0
591.18658	3.7
606.23627	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08094	5.5
54.02953	5.7
55.05502	22.1
55.09763	4.6
57.03424	12.2
57.07077	48.1
57.07531	5.2
60.98092	6.0
67.05506	63.3
69.07058	17.3
69.53486	28.8
71.08640	27.4
79.05495	37.7
81.07059	77.9
83.08627	23.8
85.06572	6.4
85.10172	13.5
91.05486	40.0
93.07044	53.6
94.62679	5.1
95.04949	7.2
95.08611	78.9
97.06540	6.5
97.10190	6.7
99.08127	5.1
105.07027	16.0
107.08611	38.5
109.10179	34.4
117.07022	11.8
119.08585	15.8
121.10146	32.5
123.11680	14.8
127.37508	4.6
131.08514	15.6
133.10124	13.3
135.11713	21.9
137.13219	7.3
141.67000	5.3
145.10114	12.5
147.11679	8.8
149.13242	20.2
159.11740	9.0
163.14824	13.1
173.13228	13.5
209.33554	5.0
243.21071	25.9
261.22198	48.6
313.27383	100.0
317.24707	13.0
335.25818	61.0
366.83698	5.5
573.48633	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	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.9
53.03930	4.0
55.05508	13.6
57.03437	11.3
57.07076	39.7
65.03928	1.9
67.05136	2.8
67.05503	57.5
69.07066	17.9
70.62086	5.0
71.08630	25.6
79.05493	32.7
81.07054	59.6
83.04971	1.5
83.08626	13.2
85.09802	1.3
85.10191	14.3
87.09430	1.6
91.05471	17.3
93.07042	45.7
93.07631	2.3
95.04963	3.5
95.08609	57.2
97.06573	2.0
97.10164	6.5
99.08096	1.9
105.07040	14.5
107.08594	31.6
109.10155	28.9
111.11731	1.6
117.06998	7.9
119.08586	13.2
121.10141	21.3
123.11691	13.5
131.08568	15.0
133.10114	10.6
135.11685	15.8
137.13243	4.7
139.06479	1.6
145.10118	8.4
147.11687	7.9
149.13268	9.5
159.11674	9.6
161.13211	7.5
163.14825	6.0
173.13290	8.7
175.14865	4.2
175.73611	1.4
177.16425	2.2
187.14807	6.2
201.16382	2.0
233.22729	1.7
239.23672	5.0
243.21222	10.3
257.24658	2.4
261.22134	63.4
261.24902	3.1
299.23520	2.3
313.27350	100.0
315.15402	1.5
317.24649	11.0
322.87228	1.3
335.25797	69.0
336.26154	2.1
391.14603	1.5
491.90359	1.5
573.48816	20.6
591.50195	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	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.5
55.05518	18.0
57.03445	12.2
57.07076	36.1
67.05505	70.3
69.06789	2.4
69.07072	23.9
71.08633	26.8
71.48920	3.5
77.69859	2.3
79.05499	39.9
81.06599	5.4
81.07059	82.5
83.08623	13.6
85.06522	2.3
85.10173	16.9
91.05486	20.0
93.07046	50.3
95.04946	3.4
95.08607	58.6
97.06519	3.7
97.10149	7.5
105.07037	19.6
107.08597	33.7
109.06471	3.2
109.10158	29.7
117.07019	6.9
119.08568	18.0
121.10142	21.9
123.11712	15.1
130.31509	2.6
131.08549	12.5
133.10132	13.1
135.11667	19.0
137.13235	4.7
143.08655	2.6
145.10127	12.7
147.11688	10.5
149.13245	11.9
159.11708	8.9
161.13239	8.9
163.14796	8.4
173.13258	12.0
175.14864	3.2
187.14877	5.2
239.23701	3.4
243.21071	13.9
260.18332	2.9
260.20917	3.1
261.22119	58.6
313.27380	100.0
314.27704	4.5
317.24643	10.4
335.25818	60.9
446.56046	3.4
573.49072	20.4
591.49243	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	592.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03946	1.3
57.07072	0.7
57.92738	0.1
67.44621	0.2
69.46349	1.1
70.06587	0.8
71.04998	1.0
72.08118	0.2
73.96648	0.2
77.03941	0.2
79.05485	1.1
81.03399	0.3
85.02895	0.2
85.06553	2.7
86.09664	0.2
93.07021	0.2
95.04967	1.2
105.04526	0.6
105.06998	0.3
107.04957	100.0
108.05275	0.6
115.63943	0.2
117.05492	0.3
133.10146	0.2
145.08614	3.4
187.49773	0.2
189.03456	0.2
191.09157	2.1
296.77518	0.2
307.13855	0.4
451.70941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.68392	0.4
80.87446	0.4
82.06468	0.4
96.16936	0.4
387.16162	0.6
389.17581	1.0
390.18466	0.5
401.17783	0.5
402.18411	0.8
403.19302	2.2
404.20020	1.1
405.20953	1.5
411.22086	0.5
415.19626	0.6
416.20474	0.5
417.21375	3.3
418.21735	2.0
419.22247	3.6
430.17178	1.0
431.18225	6.6
431.23581	0.6
432.19360	1.9
432.24310	0.6
433.24228	5.0
434.24643	1.1
445.19968	8.4
446.20892	3.4
447.21875	6.0
459.21561	3.3
460.22595	10.8
461.23279	7.6
473.23715	2.1
474.24713	0.8
477.22766	1.0
487.25323	1.0
491.25052	0.8
491.31400	0.5
492.25348	1.2
505.21979	5.2
519.23926	1.0
533.25500	21.0
534.26086	0.7
544.00195	0.5
561.24963	0.6
565.28381	1.1
593.27600	100.0
594.27911	1.6
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
50.27703	0.2
57.07063	0.3
62.16313	0.3
67.05484	0.5
69.07070	0.3
71.26522	0.6
74.78777	0.3
79.05479	0.3
81.07040	0.4
91.05458	0.4
93.07023	0.4
95.08602	0.4
109.10136	0.3
118.96339	0.3
120.48149	0.3
173.07451	0.3
209.10727	0.4
216.96193	0.3
301.32626	0.3
314.27499	0.5
387.16006	0.6
388.16437	0.4
389.17618	1.0
390.18338	0.4
401.17798	0.5
402.18634	0.9
403.19229	2.7
404.19690	0.8
405.20694	1.7
406.21667	0.3
415.19385	0.7
416.20117	0.8
417.15958	0.6
417.21210	3.5
418.21930	1.5
419.22452	3.3
430.18033	0.9
431.18231	7.7
432.18579	1.6
432.24231	0.5
433.24158	7.4
434.24570	1.0
444.19318	0.6
445.19998	9.3
446.20721	3.9
447.21719	4.4
449.23245	0.3
459.21368	2.8
460.22617	12.4
461.23380	11.4
462.24469	0.6
473.23654	2.5
476.25873	1.7
477.27173	0.4
487.24957	1.1
489.26981	0.4
491.24634	0.8
492.25211	1.0
504.21442	0.5
505.21973	5.2
515.24792	0.5
518.22937	0.5
519.24219	0.7
533.25525	43.1
534.25946	1.0
547.26691	0.5
564.23315	0.5
565.28217	1.1
575.26776	0.8
593.27600	100.0
594.27600	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	593.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18038	8.3
55.05504	33.1
56.74881	8.9
57.07066	14.3
57.36168	7.7
59.51299	9.1
61.52717	8.5
67.05513	51.8
69.03429	25.7
69.07076	74.2
70.06605	19.8
71.04983	19.7
71.48547	11.4
71.48908	10.2
72.08162	11.2
77.87295	7.9
79.05495	39.7
81.03415	19.0
81.07062	99.3
83.08630	29.2
84.08152	8.9
85.02911	33.8
85.06535	15.4
89.06054	14.9
90.08404	8.5
91.05482	24.7
93.07050	67.4
95.04999	15.0
95.08614	99.9
97.06538	50.9
97.10185	13.6
105.07027	39.7
107.04948	100.0
107.08575	50.4
109.02892	10.1
109.10192	48.1
111.08075	46.6
111.11687	10.5
119.08571	22.0
121.10168	28.3
123.04372	18.9
123.11708	40.0
125.09692	8.5
127.03916	16.2
131.04941	24.7
131.08591	10.8
133.10149	22.5
135.11688	22.6
136.39508	9.3
137.13284	20.6
145.04980	11.9
145.10129	11.4
147.11711	19.5
149.13210	49.3
159.08124	9.9
161.05936	11.9
161.13307	14.9
163.14890	19.9
180.76079	9.5
191.17877	10.0
211.74286	9.5
261.25800	11.7
269.17499	13.0
273.25885	24.0
279.26987	21.7
291.26880	80.4
309.27930	69.9
327.28851	15.4
382.80954	11.4
413.29971	11.5
431.31464	9.3
593.21375	31.9
599.19244	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	593.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.4
55.05517	32.4
57.03438	5.5
57.07072	20.1
65.42382	4.6
67.05514	39.8
69.03443	29.4
69.07073	44.5
69.14333	48.9
70.06620	6.3
71.04989	7.3
71.08647	7.7
79.05508	26.9
81.03407	21.6
81.07068	100.0
83.05003	8.5
83.08630	22.9
84.08200	4.4
85.02911	51.6
85.06555	7.8
87.00840	17.7
91.05466	23.5
93.07051	57.1
95.00389	5.0
95.04992	12.6
95.08619	91.0
97.02920	23.8
97.03466	4.7
97.06536	9.7
97.10187	18.1
99.04488	12.4
103.05461	6.3
105.01891	21.1
105.07040	33.6
105.68485	5.6
107.04964	54.2
107.08605	48.5
109.02918	24.9
109.10162	53.8
111.11741	9.0
117.07059	5.6
119.08611	29.5
121.10133	34.6
123.04379	6.9
123.11678	29.2
127.03906	43.3
131.04967	13.2
133.10118	30.0
135.11685	30.7
137.05991	13.2
137.09573	7.6
137.13274	17.4
143.08577	8.8
145.04991	14.3
145.08635	8.7
145.10098	7.2
147.11688	19.7
149.09636	5.5
149.13278	16.7
151.11234	6.6
151.14879	7.1
159.02815	6.4
161.13261	18.8
163.14865	13.4
165.12854	6.2
171.11554	4.9
175.14857	7.4
177.16412	8.0
203.18033	8.5
217.19600	11.2
219.32741	4.9
231.04996	8.6
243.10207	10.9
268.68481	5.2
273.25763	36.1
291.26755	25.4
309.27826	14.1
367.30045	6.2
413.30542	8.2
439.10403	5.3
467.69949	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01852	6.4
55.05514	21.0
57.07078	17.7
61.02931	6.7
65.03938	3.7
65.84632	3.1
66.03959	3.5
67.05505	43.7
69.03432	27.0
69.07064	45.0
70.73436	10.6
71.08627	7.0
73.02923	6.8
79.05487	25.5
81.03429	16.7
81.07056	97.6
83.08623	24.8
85.02914	59.1
87.00836	26.3
91.05468	24.1
91.82403	4.1
93.07055	47.4
95.04990	7.2
95.08611	100.0
95.09188	7.7
97.02885	25.0
97.06522	10.6
97.10184	15.0
99.04451	6.7
105.01881	27.1
105.07040	27.9
107.04961	28.1
107.08601	37.1
109.02874	20.4
109.06470	5.6
109.10163	63.4
111.11706	11.9
119.08588	28.4
121.10145	32.3
123.08119	3.9
123.11730	23.6
127.03914	36.2
131.04909	4.4
133.10126	24.6
135.11713	23.0
137.13261	17.2
145.04968	11.7
145.10110	7.8
147.11653	26.8
149.13293	26.2
151.11212	5.4
151.14847	7.4
155.10669	4.8
159.02922	6.4
159.11728	4.9
159.69397	3.4
161.13266	19.8
161.72398	3.7
163.14827	13.9
165.12717	5.2
165.16463	6.4
170.53789	4.2
175.14851	8.3
177.16357	11.8
177.20381	3.7
189.16344	8.0
191.18004	8.2
203.18004	7.4
217.19524	12.3
231.05182	8.7
247.24139	4.2
249.05963	6.3
273.25790	41.5
291.26849	29.0
309.27890	14.8
555.21826	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	594.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.1
51.02380	0.3
53.03945	0.9
55.01853	0.2
57.07055	0.2
61.02917	0.3
69.32542	0.5
69.32982	0.6
73.02938	0.1
77.03925	0.3
78.67081	0.1
79.05501	1.1
81.03432	0.2
85.06549	0.7
91.03964	0.4
93.89258	0.1
95.04950	0.9
105.04523	0.4
107.04957	100.0
108.05264	0.7
119.03424	0.5
137.04442	0.3
137.05978	0.1
145.08533	0.1
245.10344	0.3
255.20523	0.1
291.10623	0.8
566.83777	0.1
609.48907	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	594.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03949	0.8
55.01888	0.2
61.02920	0.3
69.24729	0.2
69.42646	1.3
69.43037	0.2
70.06566	0.4
72.08138	0.3
77.03914	0.2
79.05489	1.4
80.58141	0.2
81.03423	0.2
81.07068	0.2
84.08145	0.2
85.02880	0.3
85.06539	0.7
86.09699	0.7
91.03956	0.4
95.04956	0.8
105.04519	0.5
107.04952	100.0
108.05293	0.6
119.03426	0.4
120.08127	0.2
137.04369	0.3
145.08575	0.4
147.04440	0.3
156.07700	0.2
249.40721	0.2
291.10788	0.6
334.50378	0.2
361.58121	0.2
447.21573	0.2
511.14468	0.2
575.78052	0.2
622.75580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05507	1.4
57.03457	0.4
65.16868	0.3
67.05493	1.4
69.07061	1.2
76.70984	0.3
77.03889	0.4
79.05495	2.1
81.03407	0.6
81.07064	1.5
83.05006	0.5
83.08604	0.8
86.09673	0.3
89.67488	0.3
91.05481	0.8
93.07040	0.9
95.04954	1.4
95.08620	0.7
97.02907	0.4
97.06572	0.5
97.10191	1.0
103.17393	0.3
105.04539	0.5
105.07032	0.8
107.04961	100.0
107.08607	1.0
108.05273	0.6
109.10176	0.6
117.07028	0.4
119.08617	0.8
119.35558	0.4
121.10110	0.7
121.82587	0.3
125.09627	1.0
131.08630	0.5
133.06480	0.3
133.10158	0.4
135.08047	0.3
145.10133	0.8
147.08052	0.6
157.06483	0.5
161.09682	0.4
189.11244	0.7
223.13306	0.7
248.03044	0.3
273.18558	1.5
291.19559	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	594.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	0.6
55.05505	0.8
59.73591	0.5
60.45998	0.4
67.05499	2.3
69.07065	0.6
71.49265	0.7
79.05481	2.6
80.38617	0.4
81.03427	0.5
81.07069	3.0
85.02925	0.5
91.05483	1.9
93.07053	0.9
95.04987	2.3
95.08606	1.4
105.04513	0.6
105.07036	1.5
107.04960	100.0
107.08597	1.5
109.10160	2.5
117.62171	0.4
121.06568	0.4
123.11662	0.6
133.06503	0.5
133.10149	2.7
135.08070	0.5
135.11700	0.5
149.09624	0.5
151.11227	3.6
156.16406	0.4
166.35806	0.4
167.75232	0.4
169.12276	1.6
215.12846	2.1
255.17535	0.5
263.20126	0.9
273.18530	1.4
291.19540	5.6
309.20709	1.4
335.25949	0.8
357.44312	0.5
510.86386	0.5
548.43433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36409	0.4
55.05496	0.7
57.07084	0.4
67.05497	1.2
69.07081	0.4
70.06596	0.4
71.08617	0.4
71.48682	0.6
79.05498	1.0
81.07040	1.2
88.07638	0.6
91.05460	0.6
93.07049	0.9
95.08626	0.7
98.98460	3.8
105.07031	0.9
107.05004	0.4
107.08615	0.5
117.07040	0.4
118.06565	1.6
119.07386	0.7
119.08598	0.5
124.99093	0.8
125.00006	13.5
130.06468	0.4
131.36095	0.4
134.08682	0.8
134.09660	13.9
137.05998	1.0
144.08084	6.9
145.08868	4.0
151.83174	0.4
158.09669	0.4
160.11224	88.8
161.11552	0.7
178.12267	5.8
256.26315	1.1
258.08920	100.0
259.09262	0.9
259.16794	0.4
469.65732	0.4
497.60367	0.4
530.71039	0.4
576.34485	1.2
576.46014	1.6
594.35498	1.3
594.47339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03413	0.4
61.02930	0.5
65.03942	1.8
67.05490	0.6
69.03412	1.0
69.92365	1.0
70.06586	0.6
79.05485	0.6
81.03401	0.5
81.07054	1.4
85.02901	3.0
91.05477	24.5
92.00023	0.2
95.08599	0.6
97.02888	1.1
107.04922	0.8
109.06519	1.5
109.10143	0.5
117.85658	0.2
119.04939	14.2
119.08559	0.2
123.04413	0.4
127.03926	0.8
137.05972	100.0
138.06319	0.9
145.05013	0.4
149.06088	0.2
180.08644	0.4
226.27904	0.3
261.22342	0.3
279.23221	0.5
364.07516	0.2
415.28677	0.5
588.53198	0.2
598.35474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
52.78197	0.2
53.03941	0.5
55.01862	0.2
65.03928	1.0
67.05504	0.3
69.03428	1.5
69.52390	0.3
69.52799	1.2
70.06590	0.5
74.65224	0.2
76.99806	0.2
79.05505	0.4
81.03422	2.9
81.07033	0.3
85.02901	1.1
86.09687	0.2
91.05480	11.1
93.07047	0.3
95.08578	0.4
97.02921	0.6
99.04472	0.5
103.05471	0.3
105.07024	0.3
107.04959	5.7
107.08598	0.4
108.05320	0.3
109.02866	1.1
119.04944	25.4
119.08572	0.3
121.02836	0.7
127.03926	0.7
131.04927	0.7
137.05937	0.6
145.06598	0.3
145.10133	0.4
147.04411	100.0
148.04802	1.0
153.01813	1.0
157.06575	0.2
164.07057	0.4
165.01849	0.5
165.05495	3.1
167.07030	0.9
181.04950	2.0
190.88593	0.3
198.18477	0.4
220.07188	0.3
233.25606	0.3
249.10309	0.5
258.05365	0.3
287.05499	20.8
288.05832	0.5
291.08621	5.3
309.09286	1.3
309.12476	0.6
327.25323	0.3
347.26114	0.3
374.17917	0.3
385.12827	0.3
398.13654	0.4
415.16318	0.4
416.14484	1.6
595.21057	0.7
595.31689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Pelargonin
Peak:m/z	Relative Intensity
53.03938	0.3
55.01873	0.2
55.58600	0.2
57.03427	0.5
61.02919	0.7
68.99786	0.4
69.03427	1.7
69.53601	1.7
70.06586	0.9
71.04980	0.3
72.08144	0.5
73.97494	0.3
81.03429	0.9
85.02914	5.5
91.03957	0.4
91.05519	0.3
95.04979	0.2
97.02890	1.9
99.04433	0.3
105.03390	1.6
107.04956	1.0
109.02900	0.4
109.83767	0.2
120.08137	0.3
121.47027	0.3
127.03944	0.5
131.04895	0.3
137.02342	0.4
145.04970	0.9
147.04408	0.2
153.01843	2.1
165.01865	1.0
197.06006	0.5
203.65007	0.2
215.07004	0.8
242.05737	0.4
270.61075	0.3
271.06027	100.0
272.06363	1.3
279.47775	0.2
287.05585	1.1
308.62503	0.3
381.08612	0.3
433.11292	3.6
472.22043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01873	0.2
55.58600	0.2
57.03427	0.5
61.02919	0.7
68.99786	0.4
69.03427	1.7
69.53601	1.7
70.06586	0.9
71.04980	0.3
72.08144	0.5
73.97494	0.3
81.03429	0.9
85.02914	5.5
91.03957	0.4
91.05519	0.3
95.04979	0.2
97.02890	1.9
99.04433	0.3
105.03390	1.6
107.04956	1.0
109.02900	0.4
109.83767	0.2
120.08137	0.3
121.47027	0.3
127.03944	0.5
131.04895	0.3
137.02342	0.4
145.04970	0.9
147.04408	0.2
153.01843	2.1
165.01865	1.0
197.06006	0.5
203.65007	0.2
215.07004	0.8
242.05737	0.4
270.61075	0.3
271.06027	100.0
272.06363	1.3
279.47775	0.2
287.05585	1.1
308.62503	0.3
381.08612	0.3
433.11292	3.6
472.22043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03929	0.2
55.05492	0.2
57.03442	5.3
68.99811	0.3
69.03426	0.2
70.06585	0.5
71.04993	0.2
71.47757	0.2
72.08140	0.2
73.02927	1.8
75.04485	14.9
81.03428	0.2
83.04979	0.4
85.02431	0.2
85.02905	1.9
85.06568	0.2
85.88197	0.1
86.09686	0.5
97.06585	0.2
105.03374	0.3
107.04973	0.8
109.02900	0.2
109.10106	0.2
111.00803	0.3
111.04453	0.2
120.08095	0.2
121.02866	1.9
121.06512	0.2
127.03915	0.3
129.05515	0.2
133.02844	0.4
136.07571	0.1
136.11121	0.2
137.02350	0.9
145.06450	0.2
147.04359	0.3
153.01842	2.9
157.06471	0.3
165.01846	1.3
171.04463	0.2
183.02939	0.7
185.05960	0.3
203.35188	0.2
209.15471	0.2
213.05492	1.1
231.06512	0.6
239.07030	0.2
241.04953	0.9
243.06606	0.2
258.05286	0.7
259.06091	0.4
269.04282	0.2
271.06052	1.4
275.18243	0.2
286.04892	0.2
287.05511	100.0
288.05835	1.5
340.09714	0.1
383.50861	0.2
433.11487	0.5
449.10831	9.5
506.73782	0.2
527.81299	0.2
602.89368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03936	0.4
57.03437	1.8
61.02917	0.7
62.89183	0.2
66.04021	0.2
68.99799	0.4
69.03419	1.0
69.36246	1.9
71.04608	0.5
71.04993	10.7
73.02894	0.3
81.03425	0.6
83.04990	0.5
85.02907	13.8
86.09728	0.3
87.04442	0.6
95.32271	0.3
97.02884	1.0
102.64449	0.2
107.04955	0.7
109.02894	0.3
111.00797	0.7
121.02869	2.0
127.03948	0.7
129.05492	3.0
133.02890	0.3
137.02330	0.7
145.05032	0.6
147.04420	0.4
147.06480	0.8
153.01825	2.8
163.27615	0.3
165.01810	1.0
183.02948	0.6
185.05937	0.4
213.05461	1.1
231.06656	0.3
241.04929	0.8
243.06691	0.3
258.05249	0.8
259.05872	0.3
287.05508	100.0
288.05887	1.3
329.06448	0.5
449.10651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.05509	6.5
57.03439	8.5
67.05512	25.5
68.73146	1.7
69.07070	6.7
70.93424	4.2
77.29890	1.6
79.05490	17.4
80.48844	1.6
81.03424	11.1
81.07063	30.2
82.60886	1.5
82.78948	1.7
83.08609	3.4
91.05493	8.9
93.07053	15.4
95.08614	24.7
98.98466	25.2
102.66617	1.6
105.07011	4.3
107.08603	10.1
109.02916	10.4
109.10165	7.1
112.32196	1.7
119.08582	4.9
121.10129	6.0
123.11742	3.7
127.03922	2.0
131.08565	3.2
133.10126	5.1
135.11693	3.2
137.34419	1.6
145.10170	2.8
149.13292	2.4
155.01089	4.4
173.13383	2.1
178.52617	1.7
209.47452	1.8
261.03699	7.8
261.22147	3.3
317.24875	1.9
335.07614	3.3
335.25812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.76395	3.6
55.05513	19.6
55.93033	3.4
56.08303	3.0
57.03445	10.4
63.00035	2.9
65.03951	3.7
67.05182	5.4
67.05512	66.3
69.07074	20.4
69.57581	19.6
78.17684	3.4
79.05495	44.9
81.03433	15.4
81.07062	51.4
83.08619	8.2
91.05487	33.5
93.07044	50.2
95.04957	6.3
95.06860	3.7
95.08610	44.5
98.20830	4.9
98.98479	68.5
99.04438	5.1
103.05460	4.3
105.07034	25.1
107.04988	6.7
107.08582	24.9
109.02859	18.1
109.10170	18.3
109.81223	2.8
111.08125	3.4
117.07040	5.6
119.08537	18.1
121.10172	23.5
123.11723	8.0
127.03902	5.1
131.08568	14.4
133.10143	12.8
135.11722	12.3
141.79807	2.7
143.08594	5.1
145.10187	7.5
147.11722	7.6
149.13249	10.0
155.01057	19.7
159.11716	8.3
161.13277	5.2
163.14787	6.4
171.00607	3.7
173.02116	4.6
173.13295	4.7
187.14862	4.3
195.47118	3.3
207.00488	7.8
243.02565	5.1
243.20981	7.7
261.22150	23.9
298.58212	3.2
317.06403	3.6
317.24673	8.7
335.07199	6.2
335.25839	100.0
594.45221	7.1
595.45587	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05517	7.8
57.03436	8.3
60.72262	1.4
62.49920	1.2
65.03923	2.1
67.05146	1.7
67.05508	34.0
68.38656	1.1
68.93783	1.3
69.03415	1.8
69.07068	8.1
69.79140	4.7
69.79558	3.4
79.05492	18.4
81.01721	1.5
81.03430	9.8
81.06604	2.0
81.07061	32.9
83.08609	3.6
85.02888	2.4
85.76590	1.3
91.05466	10.9
93.07043	19.4
95.04970	3.9
95.08615	25.8
96.63161	1.3
97.06544	1.5
98.98476	24.7
99.04438	2.0
105.07030	6.8
107.04949	5.6
107.08588	9.6
109.02883	7.5
109.10166	11.4
113.41776	1.4
117.07035	2.3
119.08581	6.5
121.10155	6.9
123.08079	1.5
123.11712	2.6
126.82507	1.6
127.03916	2.0
131.08534	4.1
133.10109	5.3
135.11674	6.1
145.10114	3.8
147.11670	3.0
149.13271	2.4
155.01067	3.1
159.11665	2.3
163.05971	2.7
169.62036	1.4
173.02264	1.6
175.14861	1.5
187.14850	1.5
243.20943	2.3
261.03702	5.6
261.22153	5.6
335.07242	2.4
335.25812	100.0
336.26111	3.1
533.36566	1.7
548.73663	1.5
567.17877	1.6
595.30267	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	595.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03934	2.9
55.05510	15.3
57.03422	1.5
57.07058	3.3
65.03937	2.6
65.96611	1.1
67.05505	44.9
69.07065	13.2
71.04987	2.4
71.08611	1.3
71.49587	2.0
79.05494	41.3
81.07058	45.1
81.07539	2.4
83.04974	1.7
83.08612	7.4
91.05473	28.0
93.07042	45.0
95.04960	2.7
95.08610	38.9
97.06483	2.4
97.10141	3.4
99.08106	1.1
99.13753	1.1
103.05449	1.3
105.04565	1.4
105.07037	20.3
107.08595	24.6
109.06491	1.4
109.10153	14.7
111.08059	1.4
117.06997	9.2
119.08588	16.6
121.10154	21.2
123.08089	1.5
123.11723	5.6
129.07016	2.8
131.08563	13.7
133.10126	15.6
135.11699	13.3
137.13335	1.2
141.58571	1.2
141.79373	1.3
143.08578	4.1
145.10147	11.2
147.11682	8.9
149.13252	6.9
157.10135	3.4
159.11694	12.6
161.13275	5.2
163.14899	2.7
165.33556	1.1
169.10173	1.1
171.11690	2.9
173.13272	8.1
175.14832	3.1
183.11708	1.4
187.14807	3.2
197.13203	1.6
199.14767	2.7
201.16512	2.0
211.14874	1.5
215.18033	1.8
232.80865	1.1
241.19670	1.7
243.21156	2.2
245.10535	1.1
261.22189	7.4
317.25012	1.5
521.43665	2.6
539.44531	5.3
595.47253	100.0
596.47998	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	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01871	6.2
55.05511	49.9
57.03431	16.9
59.04993	7.6
61.02921	6.8
65.03934	4.5
67.05506	100.0
69.03430	8.3
69.07067	13.8
69.87816	3.3
71.01341	4.5
71.04989	5.3
71.47884	3.8
71.48572	3.8
73.02901	5.5
79.05489	30.2
81.03424	19.8
81.07050	40.7
83.04976	16.0
83.08627	21.4
85.02905	32.8
85.06538	5.1
87.04491	9.8
90.52251	3.4
91.05482	15.7
93.07042	20.8
95.04967	11.1
95.08634	19.7
97.02896	9.7
97.06518	10.0
97.10175	46.3
103.03940	11.3
105.07014	10.2
107.04953	25.9
107.08578	16.0
109.06509	3.7
109.10159	78.6
111.04485	4.5
117.07009	4.2
118.49834	3.3
119.08551	14.8
121.06512	5.0
121.10143	7.4
123.08086	5.7
125.09633	54.3
129.07039	4.0
131.08609	5.2
133.10065	4.6
135.11702	9.7
137.06032	4.7
137.09601	5.7
143.10722	8.0
143.11726	3.7
145.10121	8.1
153.12759	14.4
155.10667	10.6
163.11215	19.9
163.12421	3.5
173.11765	37.1
181.12224	9.6
191.10629	8.4
199.13289	11.5
209.11749	12.3
217.14409	7.3
227.12839	16.0
229.14349	72.6
257.13797	24.3
283.15472	11.6
301.16406	43.8
319.17627	8.4
399.23822	7.8
488.21985	3.8
493.47223	3.6
511.73199	4.2
601.75354	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	596.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03955	1.2
55.01863	0.4
55.05513	0.5
64.38506	0.2
67.05501	1.0
69.03448	0.3
69.07072	0.3
70.14753	0.9
77.03963	0.5
79.05499	1.9
81.03426	0.3
81.07072	1.4
81.74409	0.2
84.40554	0.2
85.02921	0.3
91.05492	0.6
93.07045	0.7
95.04951	1.3
95.08612	0.6
97.02824	0.2
97.92912	0.2
105.04523	0.7
105.07034	0.6
107.04960	100.0
108.05297	0.8
109.10184	0.3
119.08583	0.5
121.10116	0.3
127.03874	0.3
133.06445	0.3
133.10144	0.6
135.21980	0.2
145.06531	0.6
149.13309	0.3
151.11169	0.2
157.06429	0.3
159.11668	0.3
181.12187	0.4
195.13742	0.5
199.13428	0.2
206.08397	0.7
207.09161	1.1
208.09567	0.5
213.14847	0.4
257.19110	0.3
275.20078	2.3
282.09735	0.2
293.21146	0.7
301.17865	0.4
418.67929	0.2
426.39539	0.2
432.15817	0.4
568.33368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67852	0.4
53.03935	1.6
53.72926	0.5
55.05508	0.7
57.03441	0.6
59.56376	0.4
59.79102	0.3
67.05518	2.0
69.07095	0.5
70.06600	0.7
79.05500	2.9
81.03416	0.5
81.07051	2.1
83.08620	1.0
85.02928	0.8
91.05483	1.5
93.07044	1.9
95.04981	1.9
95.08610	1.1
97.06572	0.8
98.21600	1.3
103.05477	0.7
104.05792	0.4
105.04597	0.5
105.07050	1.6
107.04960	100.0
107.08598	1.2
108.05296	1.5
111.08077	0.8
112.18311	0.4
115.92442	0.4
117.07031	0.6
119.08588	1.3
125.09695	0.6
127.03919	0.5
131.04961	1.4
131.08571	0.7
133.06519	1.2
133.10139	0.6
145.06522	0.7
145.10129	1.0
147.08090	0.7
147.11679	0.8
149.09555	0.4
157.06468	0.9
159.08092	0.5
159.11696	0.9
171.08081	0.6
177.12535	0.4
183.08034	0.8
197.09723	0.8
230.14359	0.5
239.18024	0.5
255.17738	0.5
257.19009	0.8
275.20074	4.0
293.21094	0.9
320.68176	0.5
381.24173	1.0
553.76599	0.5
596.30817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03942	1.0
55.01878	0.3
55.05515	0.4
57.03429	0.2
67.05502	0.9
69.03437	0.3
69.07074	0.5
71.48475	0.4
73.02873	0.2
77.03925	0.4
79.05496	1.9
81.03431	0.3
81.07065	1.4
83.08617	0.3
85.02940	0.3
85.93051	0.2
91.05489	0.8
93.07053	1.1
95.04983	1.3
95.08614	0.6
97.06514	0.3
99.08131	0.2
105.04500	0.7
105.07031	0.8
107.04961	100.0
108.05274	0.4
109.06512	0.2
109.10197	0.3
110.07122	0.2
112.86792	0.2
117.07030	0.3
119.08605	0.3
120.22697	0.2
121.10143	0.3
125.09650	0.2
126.27980	0.2
131.08556	0.3
131.10364	0.2
133.06575	0.3
133.10144	0.8
135.11664	0.4
145.06494	0.5
145.10143	0.3
147.08171	0.2
147.11714	0.2
157.06480	0.3
157.10210	0.2
159.08064	0.3
159.11742	0.3
161.09656	0.2
181.12230	0.2
187.11143	0.2
195.13820	0.5
199.13229	0.2
203.10730	0.2
206.08392	0.6
207.09241	1.4
208.09540	0.7
213.14734	0.3
275.20087	2.2
291.19296	0.2
293.21219	0.6
301.18042	0.5
412.96341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03946	1.1
55.01859	0.3
55.05501	0.2
57.03434	0.1
63.09484	0.1
67.05496	0.4
69.07055	0.3
69.09123	0.1
69.39708	0.5
69.40112	0.2
70.02298	0.1
77.03928	0.3
79.05491	1.7
81.03415	0.2
81.07053	1.0
83.08598	0.2
85.02904	0.2
91.05486	0.3
93.07047	0.4
95.04966	1.3
95.08611	0.5
97.06526	0.1
103.05489	0.1
104.60997	0.1
105.04503	0.5
105.07028	0.3
107.04955	100.0
108.05257	0.6
109.06518	0.4
109.10160	0.1
117.07015	0.2
119.08611	0.3
121.06541	0.1
121.10175	0.2
123.08043	0.1
131.04990	0.2
131.08594	0.3
131.24417	0.1
133.06487	0.1
133.10138	0.4
135.11703	0.2
136.00597	0.1
137.06001	0.4
145.10152	0.2
147.11685	0.2
149.13208	0.1
159.08084	0.1
159.11650	0.2
161.09613	0.1
163.27068	0.1
187.11180	0.1
229.19624	0.1
257.19083	0.1
263.07013	0.1
275.20071	3.1
293.21112	3.8
358.78851	0.1
381.24323	0.3
399.25201	0.2
402.14584	0.8
580.10193	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00027	1.8
51.06992	1.7
53.03969	1.9
55.05517	19.3
55.68674	1.8
57.03428	6.0
57.07066	3.8
59.04999	2.3
65.03911	2.7
67.05511	68.8
67.73285	2.8
68.00558	2.0
69.07073	11.3
69.18135	22.2
71.04998	21.8
74.37485	1.9
78.83733	1.8
79.05498	32.3
81.07063	100.0
83.04988	3.6
83.08617	9.0
85.06547	5.4
88.07642	2.7
91.05486	27.0
93.07050	37.5
95.04941	3.6
95.08620	23.6
96.19028	2.0
97.06527	6.1
97.10193	3.2
98.21490	3.9
103.47990	2.1
105.04533	2.1
105.07049	18.1
107.08587	24.6
109.06565	3.7
109.10165	14.8
117.07007	6.1
119.08629	10.9
119.09378	1.8
121.10151	14.8
123.11694	10.5
131.08549	10.9
133.10129	15.0
135.11697	8.7
145.10144	7.3
147.11618	2.7
149.13266	5.7
151.11194	6.2
159.11691	6.3
161.13206	2.3
167.99617	1.9
187.13307	5.3
194.61050	2.1
201.16261	2.3
257.17719	2.1
261.22263	4.2
269.17490	3.1
301.20135	16.8
311.29422	4.5
312.32520	3.5
335.25882	33.4
503.37363	85.6
517.38684	3.2
529.38843	4.7
541.84302	2.1
561.41571	41.2
595.59094	2.6
596.47363	7.0
596.59570	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	597.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01863	0.8
57.03422	0.4
57.82964	0.3
61.02905	0.9
69.03435	8.6
70.12074	0.3
71.03579	0.7
71.04990	0.5
73.02900	1.0
81.03422	11.4
81.07047	0.3
85.02444	0.5
85.02911	5.3
92.25201	0.3
97.02891	4.3
99.04463	2.0
105.07038	0.4
107.01292	1.1
107.04912	1.1
109.02885	6.8
121.02032	0.4
121.02866	6.5
127.03930	5.6
131.04875	0.4
136.65530	0.3
137.50310	0.3
145.04933	1.0
147.04366	0.5
151.87970	0.3
157.06381	0.4
165.01831	1.7
167.07040	0.4
169.06439	0.4
173.05989	3.6
181.38170	0.3
183.02841	0.4
187.06038	5.8
197.05919	0.5
201.05479	1.0
225.05438	0.7
229.04985	5.5
243.06578	1.1
257.04260	0.4
271.06223	0.5
299.05511	63.3
300.05862	0.7
339.12015	0.5
393.09692	100.0
394.10104	1.0
561.11041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01862	1.4
55.05505	1.6
65.11217	1.3
65.54742	1.3
69.03419	4.6
69.07066	2.2
70.06580	5.0
73.02910	1.9
78.81813	1.8
79.05496	1.7
81.03404	6.2
81.07080	1.4
85.02914	11.3
87.00813	2.8
91.05479	1.9
93.07005	1.5
95.04985	1.4
95.08582	1.4
97.02889	4.9
98.02844	1.5
98.20643	2.7
99.04453	2.4
104.11746	1.5
105.01876	2.7
107.04964	88.4
109.02892	2.9
121.06490	1.5
121.10215	1.4
127.03913	5.9
131.04950	1.6
145.04982	2.7
147.17470	1.3
156.09166	1.3
157.10086	1.3
158.85315	1.3
159.02870	1.8
167.08490	2.1
169.10103	1.4
173.45757	1.4
182.48198	1.3
183.08263	2.1
188.87611	1.3
195.08051	4.5
198.70590	1.3
211.07530	4.0
212.08282	6.3
223.07538	3.5
224.08347	1.8
227.10704	5.5
230.01167	2.1
237.09120	4.0
239.06776	1.6
240.07834	27.6
243.10185	18.2
255.10187	100.0
267.10266	6.1
297.11148	2.1
309.11221	4.7
333.11139	1.6
349.14279	9.6
351.12271	3.8
373.14502	2.9
380.53940	1.3
399.32532	1.7
417.15414	2.8
417.33710	2.3
420.04459	1.6
435.07248	1.7
475.59552	1.5
479.67374	1.4
503.15607	23.2
533.19037	1.3
542.22845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05511	14.6
57.03427	5.7
57.07074	3.8
67.05507	44.2
69.03460	1.8
69.06788	1.5
69.07065	16.4
69.21393	2.3
69.21739	16.9
71.04978	2.5
71.08607	1.8
71.71634	1.8
79.05495	18.9
81.03409	9.0
81.07059	50.5
83.04967	2.2
83.08622	6.0
85.02901	2.2
91.05493	13.0
93.06557	1.8
93.07053	17.0
95.04966	2.1
95.08610	34.9
97.06504	2.3
97.10165	4.6
98.21492	2.9
98.98466	45.0
99.04463	2.3
105.07025	9.6
107.04956	4.6
107.08606	14.9
109.02884	6.6
109.06454	1.7
109.10160	14.8
111.08082	2.3
117.07024	1.9
119.08585	8.6
121.10172	8.0
123.11688	6.7
129.07060	2.0
131.08542	4.0
133.10147	8.3
135.11661	5.7
137.09598	1.9
143.08577	2.2
145.10095	2.7
147.11650	3.1
149.13293	3.3
155.01053	23.8
157.10205	1.7
159.11662	2.7
161.13173	2.1
163.14835	3.0
167.10556	2.8
173.02155	3.2
173.05968	1.8
181.12329	1.9
182.98454	1.7
189.12762	1.8
193.12219	1.8
197.02997	1.8
201.16428	1.6
229.01225	1.8
245.22620	4.7
261.03729	3.9
263.23706	10.5
275.62711	1.7
317.06277	4.1
332.21103	1.9
337.27383	100.0
435.07251	2.3
467.13773	1.9
561.28168	2.6
576.30566	1.9
597.26978	4.2
597.39508	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	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.13017	1.9
55.05515	11.3
57.03426	6.8
57.07056	2.3
60.29388	1.5
67.05181	2.1
67.05506	24.1
69.07079	10.7
69.71261	6.6
79.05498	6.5
81.03423	7.9
81.07062	23.0
83.08607	6.9
84.94691	1.5
85.02938	1.8
91.05460	5.8
93.07026	4.5
95.08606	18.9
97.06541	1.6
97.10147	2.8
98.98463	23.1
105.06990	4.9
107.08598	5.1
109.02885	5.4
109.06480	1.9
109.10157	7.2
119.08604	2.3
121.10172	2.5
123.11710	2.7
133.10178	3.6
151.14810	2.0
155.01094	2.1
159.44125	1.7
164.54951	1.6
200.09747	1.6
242.54237	1.6
257.27957	1.8
261.03711	6.1
337.27390	100.0
436.19849	1.8
456.01910	1.6
499.81082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.1
51.02377	0.3
53.03951	0.7
55.01870	0.2
64.88152	0.1
67.05479	0.1
70.06578	0.2
70.11584	0.1
70.11926	0.3
77.03935	0.4
79.05503	1.1
81.03426	0.2
85.02896	0.2
85.06529	0.1
87.41202	0.1
95.04965	0.8
105.03386	0.1
105.04497	0.5
107.04955	100.0
107.21010	0.1
108.05278	0.8
123.04430	5.4
140.06966	0.1
145.08595	0.1
167.07030	0.1
196.91522	0.1
297.13235	0.1
300.05505	0.1
350.45847	0.1
393.09598	0.1
394.10025	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	598.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.03807	0.5
55.01874	0.8
55.05521	0.7
56.37514	0.4
62.06114	0.5
62.70208	0.4
69.03429	0.6
69.07063	1.7
69.84931	2.8
70.02950	0.5
70.06592	1.2
73.02911	0.5
77.03915	0.8
79.05485	1.6
81.03429	1.3
81.07062	1.1
85.02913	2.5
86.06074	9.4
87.91514	0.5
91.05482	0.8
95.05000	1.5
97.02897	0.7
97.35350	0.6
98.09671	1.0
99.04436	0.7
101.02382	2.1
105.04513	0.8
107.04964	100.0
108.05312	0.9
109.06506	2.5
111.08100	2.3
116.10725	6.0
117.07022	1.3
120.08117	1.1
127.03885	0.8
129.07101	0.6
131.37801	0.5
134.09689	1.0
137.05963	0.9
139.75171	0.5
142.08627	0.6
145.04997	0.8
145.06493	3.9
145.11830	0.6
155.05992	0.7
157.75443	0.5
167.07022	4.4
170.11800	2.2
173.06010	6.3
180.10272	0.9
190.06233	3.7
198.11275	25.6
203.07150	0.7
205.08632	10.1
216.12328	60.3
217.08630	4.2
219.10188	0.7
235.09695	3.3
247.09727	0.6
265.10699	2.7
283.38480	0.6
330.10974	0.8
330.19101	3.3
351.12192	0.7
378.17749	2.4
383.14902	1.5
401.16031	1.3
474.66238	0.6
484.22104	1.4
598.35406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03949	1.4
55.01879	1.1
55.05506	0.4
57.03445	0.3
60.04521	0.4
62.06082	0.7
69.07068	1.7
70.06580	0.7
71.48296	0.3
72.08156	0.7
73.02888	0.4
77.03956	0.4
79.05495	1.6
81.07057	1.1
85.02909	0.7
86.06073	10.1
91.05454	0.4
91.63589	0.3
93.07013	0.6
95.04990	0.8
95.08611	0.5
96.08157	0.5
97.06533	0.5
98.09691	0.6
99.04450	0.4
101.02374	2.1
105.04539	0.6
107.04960	100.0
108.05302	1.1
108.08131	1.1
109.06517	2.5
111.08099	2.3
115.07566	0.5
116.10736	6.4
120.08120	0.5
121.06518	0.3
134.09679	1.0
135.10443	0.4
137.05989	1.7
138.09134	0.4
139.70772	0.3
142.08632	0.6
144.09947	0.3
145.04980	0.5
152.10689	0.9
170.11769	3.1
180.10201	0.9
198.11261	28.6
198.36967	0.3
209.07860	0.3
216.12320	70.2
217.12643	0.7
272.94012	0.3
312.17859	0.8
330.19150	3.7
356.16110	0.3
378.17593	2.1
484.21606	1.1
517.00159	0.3
580.27246	0.6
598.29034	0.4
624.19574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25296	0.6
60.04523	2.5
61.47911	0.6
65.92233	0.5
68.53891	0.5
69.04552	0.8
69.07078	1.4
69.76575	3.1
70.06598	1.8
72.04552	1.0
79.05518	0.8
81.03431	1.1
81.07073	0.9
84.08167	0.9
86.09709	100.0
87.05618	0.7
87.76382	0.6
90.77754	0.5
93.07048	0.8
98.09692	11.5
99.05576	3.2
99.51869	0.6
100.11235	0.9
107.04964	4.7
110.07147	0.6
111.05597	0.8
115.05066	1.2
117.06633	2.1
119.08601	0.8
120.08157	0.8
121.10201	0.7
126.09165	1.0
127.04126	1.0
127.05032	7.1
128.10713	0.8
129.06598	0.6
137.05984	1.1
139.05029	3.4
141.10223	0.6
143.11794	18.0
145.06120	4.1
154.15912	6.9
155.10689	0.6
155.11810	2.8
156.07713	3.1
162.08710	0.8
166.06184	0.7
167.11812	3.6
171.11290	9.5
181.09885	0.9
183.11334	2.6
184.07195	7.9
185.12889	5.8
195.11346	5.5
196.07225	1.0
199.18161	1.6
201.09851	1.2
202.08307	2.3
211.18066	20.9
212.14001	2.0
213.12398	4.0
222.12375	0.9
224.13972	1.2
227.17569	1.0
228.13411	3.1
238.19081	0.8
239.15289	1.2
239.17537	7.8
240.13481	4.1
241.09413	1.9
251.15053	0.7
252.13438	6.9
257.11816	1.0
258.14557	2.6
259.10397	1.2
262.12082	0.6
269.15997	3.1
270.14520	6.6
278.18546	0.9
284.19745	2.0
287.17111	3.1
296.19754	2.0
297.15616	2.6
299.05548	2.3
300.05954	2.6
309.15485	1.4
313.22311	1.0
315.16458	4.5
326.18314	2.0
327.16727	1.6
337.22513	1.0
341.21790	1.5
344.19409	1.2
352.25787	1.2
354.17825	2.1
355.23459	2.3
365.22012	1.6
369.28934	0.8
372.18771	1.8
382.24564	1.7
383.22910	6.4
393.09775	0.7
394.10089	1.6
400.25452	3.6
409.28189	0.7
410.23795	3.5
422.24155	1.7
426.30640	1.7
428.25104	2.6
439.26932	1.8
440.24866	3.1
449.25015	2.4
454.29947	1.0
457.27722	6.3
467.26157	13.8
478.30124	1.3
483.33032	0.7
485.27176	9.6
492.19455	0.7
496.31494	4.3
525.34119	1.5
534.34253	1.1
544.32526	1.0
546.20947	0.6
550.33417	0.8
552.34979	3.3
553.33557	4.0
562.33582	6.2
570.36115	12.7
580.25165	1.2
580.34521	20.2
598.35651	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	599.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03951	1.5
55.01876	1.2
57.03438	0.4
69.03421	1.2
70.06580	0.3
70.15316	1.2
73.02910	0.4
77.03944	0.4
78.80193	0.3
79.05495	1.7
81.03414	1.1
85.02903	2.7
86.09708	0.4
91.03941	0.4
94.06586	0.8
95.04976	1.1
97.02894	1.2
105.04537	0.3
106.06572	1.0
107.04962	81.0
108.04479	1.2
108.05264	0.5
109.02898	0.3
110.06010	0.6
122.06042	0.8
122.74979	0.4
124.07616	0.4
127.03961	0.5
132.48294	0.3
134.06062	0.7
136.03986	0.7
136.07564	0.6
138.16711	0.3
144.95956	0.3
148.07619	0.5
150.05540	0.4
161.07112	0.8
162.05522	3.3
163.06322	0.4
164.07108	1.4
168.06607	0.8
170.08231	0.7
170.09589	0.4
172.42384	0.3
173.10803	0.5
176.07104	0.9
187.08665	1.3
187.12354	0.3
189.06601	4.0
194.08101	0.6
199.08713	0.4
200.10947	0.4
201.10233	2.7
203.08133	0.9
212.10895	0.3
213.10228	1.0
215.08197	4.7
215.11772	2.2
225.10263	0.8
227.08167	0.4
229.09747	6.2
229.13214	1.5
231.11299	0.4
239.08235	0.4
239.11861	1.2
240.10245	0.7
241.09546	0.6
241.13258	0.4
242.10451	0.5
243.07544	0.6
243.11336	2.9
247.14471	0.8
253.09775	0.5
254.10527	0.7
255.11168	0.4
256.08286	0.3
257.09235	5.1
257.12860	4.1
267.11346	2.2
269.09503	0.3
271.10812	3.8
275.13885	3.3
280.08447	0.3
285.12338	7.2
295.10770	2.4
303.13376	2.9
313.11835	13.3
331.12891	100.0
332.13263	1.3
420.43784	0.3
437.17114	24.5
530.28180	0.4
598.35767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03937	2.8
55.01864	1.5
55.05511	3.3
57.07074	0.8
65.03929	0.9
67.05510	5.3
69.03423	2.9
69.07057	2.9
69.41769	0.7
69.98032	3.0
71.04970	0.7
77.03930	0.8
79.05493	5.1
81.03394	1.2
81.07059	7.9
83.05000	1.5
83.08604	2.1
85.06551	0.7
89.18398	0.6
91.05481	7.9
93.07040	6.9
95.04946	3.6
95.08614	5.8
97.06505	1.5
100.10008	0.6
103.05476	1.4
105.04543	1.3
105.07027	7.2
107.04956	100.0
107.08587	5.0
109.06524	1.4
109.10144	3.4
111.04449	1.1
113.09651	0.7
115.05414	3.3
117.07035	4.6
119.04971	1.6
119.08556	5.4
121.06493	6.4
121.10133	5.1
123.08035	1.5
125.09644	0.8
128.06244	2.6
129.07030	4.0
131.04924	16.4
131.05844	1.1
131.08586	3.7
133.06496	8.2
133.10146	4.2
135.08044	2.2
135.11729	1.3
137.06001	1.0
139.11113	0.9
141.06982	2.5
142.07835	1.3
143.08597	4.1
144.05713	10.7
144.09370	0.9
145.06488	16.0
145.10114	3.7
147.04445	1.0
147.08022	6.2
147.11702	1.9
149.09625	1.1
151.07539	0.9
153.06998	1.4
153.12790	0.8
155.08566	2.5
157.06506	8.5
157.10123	2.6
158.07323	1.7
158.10886	0.8
159.08018	5.4
159.11671	1.4
161.09619	3.0
163.11185	1.0
165.07007	2.3
165.09178	1.6
166.07747	1.2
167.08559	2.0
167.10724	4.4
169.06467	3.7
169.10149	2.0
170.10919	0.7
171.04385	1.2
171.08073	9.8
171.11674	1.7
173.05984	32.9
173.09631	4.3
173.13280	1.9
175.11197	2.0
175.14868	0.7
179.08614	2.3
181.06494	1.9
181.10121	2.0
181.12289	1.3
182.07321	1.4
183.08067	5.3
183.11687	2.1
184.08788	0.9
185.05984	1.1
185.09561	4.9
185.13185	0.8
187.07581	2.6
187.11230	2.1
187.14900	0.7
189.09106	0.7
191.08534	0.8
193.10158	1.7
195.08055	4.2
195.11732	2.5
196.08879	1.1
197.06026	4.7
197.09673	3.3
197.13280	1.6
198.10442	0.9
199.07506	5.4
199.11150	3.6
201.09061	0.8
201.12746	1.4
203.07056	0.9
203.14400	1.3
207.08054	2.2
207.11739	1.1
209.09665	2.6
209.13280	1.1
210.13893	0.7
211.07544	2.5
211.11111	3.6
213.09093	1.7
213.12752	3.7
215.07025	4.6
215.14404	2.0
217.08643	2.4
221.09654	1.6
221.13370	0.9
221.15390	2.4
223.07579	2.6
223.11229	2.0
225.09148	1.6
225.12794	2.6
227.10724	2.5
227.14285	1.8
231.08272	0.6
231.91133	0.6
232.12390	0.8
233.13196	1.3
233.15437	2.6
235.11136	1.2
237.09129	1.5
237.12886	1.8
239.10716	1.7
239.14375	1.4
241.12250	1.8
241.15952	1.4
247.07445	0.7
247.11220	0.8
249.09088	0.8
251.10602	1.4
251.14276	1.2
253.12343	1.0
253.15485	0.6
261.09033	1.1
263.14563	1.0
277.11932	0.7
279.10153	1.9
281.15268	0.9
283.16772	0.7
283.20624	0.7
285.18558	1.2
287.10583	0.7
287.20160	0.9
299.20026	1.3
305.15222	0.6
336.75616	0.7
351.27002	0.9
363.96176	0.7
365.24753	2.7
377.24908	1.1
379.26355	2.0
381.28033	0.7
433.27515	2.5
439.28525	1.8
445.27994	0.9
475.28439	1.4
493.29846	1.7
505.29810	1.1
521.30420	1.6
539.31610	5.9
553.32990	1.2
563.31390	4.1
564.98419	0.7
581.32526	7.5
581.40253	0.9
599.32947	6.8
599.42804	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	599.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77412	0.7
52.58444	0.8
53.03939	2.8
55.01867	2.2
55.05518	6.2
57.07072	2.0
61.02150	0.7
65.03954	0.8
67.05505	10.3
69.03431	4.6
69.07073	5.9
69.97820	2.8
71.04945	0.8
73.23795	0.7
77.03931	1.1
79.05495	11.4
80.57103	0.9
81.07056	12.0
83.04974	3.1
83.08630	3.7
83.26154	0.8
85.02911	1.0
85.06497	0.8
91.05475	11.7
93.07053	12.4
95.04971	7.0
95.08614	9.5
97.06533	3.2
98.21439	0.9
103.05474	2.2
105.04525	1.6
105.07038	12.9
107.04960	100.0
107.08597	9.3
109.06532	3.9
109.10161	5.2
111.04408	1.1
111.09439	0.7
113.09661	1.4
115.05463	4.7
116.06239	1.1
117.07014	5.9
119.04948	1.5
119.08601	11.7
121.06506	8.2
121.10151	12.8
123.08074	3.4
123.11745	2.0
125.09653	2.0
128.06226	4.0
129.07007	4.8
130.07852	1.3
131.04933	11.3
131.08589	8.2
133.06503	9.0
133.07500	1.1
133.10126	7.0
135.08084	2.7
135.11714	2.8
137.09621	2.3
139.11192	1.7
141.06985	2.6
142.07776	3.7
143.08572	8.0
144.05708	10.5
144.09351	1.1
145.05301	1.0
145.06485	18.7
145.10136	7.1
147.04378	1.6
147.08055	6.8
147.11705	2.6
149.09639	3.5
149.13292	1.3
151.07533	2.2
153.07010	2.1
155.06041	1.2
155.08607	4.3
155.10649	1.2
156.09337	2.2
157.06500	7.7
157.10120	7.9
158.07286	1.3
158.10892	1.0
159.08075	7.3
159.11694	5.0
161.09596	5.2
161.13335	1.1
163.11206	2.2
165.07013	2.3
165.09152	3.5
167.08563	2.8
167.10689	10.3
169.06512	3.4
169.10165	4.4
170.11011	1.0
171.08063	9.3
171.11691	4.4
171.74098	0.7
173.05998	26.2
173.09552	4.7
173.13284	3.0
175.11215	3.4
175.14819	1.6
177.12775	0.9
179.08537	3.8
179.29816	0.7
181.06532	2.6
181.10161	3.2
181.12242	2.0
182.07207	1.3
182.10954	0.8
183.08067	5.5
183.11719	3.4
184.08778	1.2
185.09612	6.0
185.13281	2.3
187.07578	2.6
187.11226	2.7
187.14839	1.7
189.12756	2.7
191.14352	1.0
193.10196	3.1
194.07298	1.3
194.10977	2.0
195.08092	4.6
195.11737	3.3
196.08897	1.3
197.06018	6.9
197.09576	4.8
197.13310	3.8
199.07550	6.1
199.11261	5.0
199.14845	2.0
201.12833	2.9
203.14316	1.8
205.10185	1.5
206.10829	1.6
207.08246	1.1
207.11728	2.3
207.13737	0.9
208.08791	1.0
208.12607	0.9
209.09654	3.0
209.13281	4.0
209.15166	0.9
211.07597	2.1
211.11162	4.4
211.14839	1.4
213.09171	1.4
213.12767	3.1
215.07117	4.0
215.14311	2.4
217.08673	3.2
219.08192	1.4
219.11804	1.7
221.09695	2.0
221.13361	1.3
221.15294	7.5
223.07605	3.3
223.11221	3.4
223.14798	2.7
225.09167	1.8
225.12750	2.3
225.16447	1.0
227.10756	2.2
227.14406	2.7
231.11723	1.0
232.12494	0.9
233.09813	1.0
233.13287	1.8
233.15433	6.2
235.14836	1.3
237.09122	2.1
237.12872	1.6
237.16258	1.0
239.14380	2.6
239.17879	0.9
241.12256	1.9
241.15967	1.4
247.07610	1.4
247.11133	0.9
249.12802	0.9
249.16493	1.8
251.10631	1.1
251.14453	1.6
251.17970	0.7
253.15886	1.9
255.14026	1.5
257.19232	0.9
259.20474	1.1
261.09100	0.9
263.10605	0.8
263.14642	0.8
263.17929	1.3
267.13828	1.3
267.17355	0.9
273.18655	1.3
273.35391	0.8
279.10309	2.0
279.17245	0.8
281.15445	0.9
283.20425	1.1
285.18616	0.9
287.20172	1.1
299.20163	1.7
311.20230	1.3
321.18344	1.0
325.21597	1.0
365.24835	3.2
377.25150	1.9
379.26431	2.0
383.26169	1.2
389.24875	1.0
391.26593	1.1
395.26074	0.8
433.27515	2.3
445.27930	0.9
475.28360	1.5
493.30081	2.1
505.29318	1.0
521.30463	1.4
539.31659	7.5
553.32843	1.7
563.31689	3.4
581.32587	8.2
581.40381	2.6
582.45807	0.9
599.33392	7.4
599.41107	14.3
624.08386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05519	6.1
57.03433	0.8
57.07076	7.0
59.05000	3.1
65.03930	1.2
67.05515	11.0
69.03432	8.1
69.03777	1.2
69.07063	5.0
69.25413	8.2
71.05004	1.0
79.05496	11.5
81.03460	2.2
81.07059	18.8
83.04978	4.4
83.08623	2.3
85.02901	0.9
85.06548	3.6
91.05477	16.8
91.06023	1.2
93.07048	23.9
93.07642	1.3
95.04972	6.3
95.08608	16.4
97.06538	4.4
97.10169	0.8
98.98501	1.5
103.05492	1.1
105.04561	1.0
105.07034	30.4
107.04962	17.2
107.08602	13.9
109.06538	7.7
109.10171	7.4
111.08090	2.5
113.09663	1.0
115.05490	1.2
117.07024	6.3
119.04987	0.9
119.08583	32.0
121.06522	4.6
121.10148	15.3
123.08083	13.2
123.11733	2.4
125.06007	3.1
128.06255	2.9
129.06981	5.6
130.07764	1.5
131.08572	11.7
133.06525	3.7
133.10149	13.3
135.08058	13.2
135.11702	6.2
137.05998	2.4
137.09630	16.1
139.07562	2.8
141.07019	2.3
142.07784	6.4
143.08560	12.6
143.09567	1.1
144.09303	2.2
145.06572	1.2
145.10136	17.1
147.08061	27.5
147.11716	3.3
149.09628	5.3
151.07565	12.1
154.07733	1.0
155.08565	7.0
156.09337	6.7
157.10132	20.2
158.10928	1.5
159.08069	4.8
159.11734	12.3
161.09619	6.7
161.13254	6.2
163.11194	8.8
164.26816	0.8
165.06981	2.1
165.09123	59.2
166.07915	1.2
167.08589	2.0
167.10722	3.1
168.09367	3.0
169.10165	8.9
170.10907	2.8
171.11713	10.1
172.08958	1.2
173.09666	3.7
173.13344	3.7
175.11221	3.4
175.14856	2.7
177.09216	1.6
177.12775	1.1
179.08582	3.3
180.09369	1.7
181.10219	4.6
181.12209	7.8
182.10919	1.8
183.11723	12.8
185.09677	1.3
185.13283	8.6
187.11205	2.9
187.14948	1.7
189.12769	5.2
191.10718	3.6
191.14355	2.1
193.10213	2.1
193.12091	0.9
194.10991	1.3
195.11761	4.8
195.13808	1.4
196.12520	2.2
197.13275	5.1
199.11220	2.5
199.14833	2.1
201.12724	1.4
203.14322	18.9
203.16205	1.5
205.12263	1.2
206.11017	1.4
207.11719	4.0
207.13863	6.6
208.12544	1.2
209.13275	5.3
210.14099	1.6
211.11308	2.1
211.14827	6.1
213.12816	2.3
213.16356	0.9
215.14362	2.1
217.10149	1.1
219.11813	1.8
221.13348	3.6
221.15370	100.0
223.14857	3.0
225.12730	1.9
227.14366	1.9
229.12311	1.6
229.15942	2.1
231.13821	1.9
233.13329	2.2
233.15450	5.3
235.14845	2.8
237.16402	1.5
239.18092	1.0
243.13907	1.3
247.16933	19.3
249.16412	1.8
251.14331	1.2
251.18051	1.2
261.18738	1.4
263.18048	1.3
267.17587	1.4
269.19031	2.0
273.16238	1.1
279.17563	1.1
285.18546	1.8
286.19476	1.9
287.20169	8.9
289.19620	1.1
299.20200	4.0
301.21680	1.7
309.18704	1.3
311.20154	2.6
313.21777	2.6
325.21796	1.4
327.23157	2.2
337.27335	2.0
338.27878	2.4
339.28156	4.0
347.23819	1.2
365.24887	5.2
373.25378	1.1
391.26300	8.5
413.26801	1.4
419.29669	3.2
427.28519	7.1
441.30304	1.3
453.30249	1.5
493.29358	1.1
507.34805	9.3
519.34711	3.7
543.34357	1.1
581.39948	2.9
599.41016	61.1
600.41882	1.4
619.18866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.37046	1.6
55.05509	20.7
55.35205	1.9
57.03432	4.9
57.07073	5.3
65.03938	4.4
67.05508	57.7
67.91931	2.2
69.07075	22.7
70.59039	1.7
71.04958	2.3
71.48865	2.5
71.71677	1.9
75.45966	2.2
79.05496	34.9
81.07063	67.6
83.04971	2.3
83.08626	11.8
85.06537	2.0
91.05474	30.1
93.07049	44.2
95.04981	4.4
95.08608	58.5
97.06554	3.0
97.10181	7.4
105.07036	36.7
107.08602	37.1
109.10155	30.3
117.07030	11.8
119.08589	30.5
121.10136	28.1
123.11738	13.2
125.09602	2.3
128.06233	2.6
129.06998	6.1
131.08574	26.4
133.10139	26.3
135.08046	2.3
135.11691	14.6
137.13229	3.8
143.08600	9.3
145.10126	26.3
147.11681	19.1
149.13263	12.4
157.10130	11.7
157.53783	2.2
159.11707	16.3
161.13252	11.3
162.51854	2.1
163.14885	5.1
169.10167	3.7
171.11713	8.1
173.13286	16.7
175.14865	5.0
177.16507	2.4
183.11739	3.4
185.13292	7.9
187.14874	8.3
189.16414	3.9
192.22920	2.1
197.13390	2.7
199.14905	3.4
201.16399	5.4
203.18057	4.7
211.14737	3.2
213.16571	4.2
227.18027	3.9
229.19672	2.1
240.55215	1.8
245.18950	4.6
247.20619	6.0
259.20639	5.2
260.44305	1.7
261.22281	5.8
269.22760	2.5
321.24295	8.1
323.25879	5.8
333.24213	3.6
335.25949	9.0
337.27463	2.7
489.35764	2.4
507.42267	6.1
525.43024	6.1
572.97650	2.3
581.45422	11.5
592.14282	2.5
599.46777	100.0
600.47406	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	599.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.2
55.01871	2.1
55.05515	22.4
57.03415	4.8
57.07078	5.2
65.03916	3.7
67.05508	69.7
69.07072	27.1
71.04984	2.6
71.08630	1.1
79.05493	40.8
80.64041	1.0
81.07059	79.6
83.04965	1.4
83.08629	12.1
85.06521	2.7
91.04916	1.7
91.05481	29.1
93.07049	50.4
95.04938	2.6
95.08611	65.5
97.06487	3.8
97.10159	8.1
98.20807	3.1
99.08082	1.9
102.04201	1.2
105.07035	33.9
106.20654	1.0
107.08598	29.3
108.35707	1.1
109.06501	2.3
109.08279	1.0
109.10163	32.7
111.08056	3.4
112.54186	1.1
115.05430	1.5
117.07037	9.8
119.08585	29.2
121.09360	1.5
121.10155	26.0
123.07991	1.9
123.10999	1.2
123.11729	12.1
125.09582	3.3
128.06174	2.2
129.06940	4.4
131.08578	20.8
133.10143	24.1
135.08037	1.5
135.11708	19.7
137.13217	5.2
139.11137	1.7
141.07016	2.1
143.08549	6.8
144.09361	1.3
145.10126	22.8
147.11690	22.5
149.09615	1.1
149.13268	10.9
151.11195	1.4
151.14803	2.3
155.08562	2.3
157.10144	7.3
159.11703	20.0
161.13243	11.8
163.14798	4.6
165.12735	1.2
169.10052	3.2
171.11688	9.0
173.13297	13.2
174.77925	1.0
175.14842	7.2
177.16351	2.4
181.10155	1.3
181.84007	1.1
183.11691	3.1
185.13258	7.5
187.14833	8.2
189.16298	3.7
191.17934	1.7
197.13197	3.8
199.14749	4.6
201.16302	3.5
203.17856	3.5
211.14824	1.7
213.16301	2.1
215.17870	2.2
223.14708	1.4
225.16365	1.4
227.17876	3.0
241.19551	1.5
243.21011	2.3
245.18970	5.6
245.22481	1.3
247.20552	5.6
259.20477	3.5
261.22110	7.5
263.23618	4.4
268.06403	1.1
285.69788	1.3
287.23648	2.0
297.21671	1.2
299.23825	1.4
301.25220	1.4
313.25177	1.8
317.24643	1.4
319.22485	3.1
321.24191	9.6
323.25714	4.1
327.26782	2.2
333.24045	3.5
335.25800	8.8
337.27188	4.1
341.28369	2.1
347.25757	1.4
355.29776	1.8
415.49619	1.1
466.10788	1.2
477.36041	1.4
503.36835	1.8
507.41907	7.0
523.40765	1.3
525.42456	3.3
557.42664	1.9
570.92584	1.2
581.45697	10.8
599.46503	100.0
600.47382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01876	7.0
57.03437	2.6
60.57195	0.7
61.02933	3.7
62.97429	0.5
69.03103	0.5
69.03436	8.5
70.02959	1.0
70.03352	1.7
70.06576	1.9
71.04985	0.7
72.08168	0.8
73.02908	1.5
81.03425	3.5
82.46428	0.6
83.01350	0.6
84.08141	1.4
85.02911	46.0
86.09692	1.1
87.04447	1.0
91.03958	2.3
97.02293	1.0
97.02897	12.8
98.21415	0.8
99.04435	2.0
107.04966	3.3
109.02894	3.9
121.02859	0.8
127.03928	10.4
129.06967	0.9
145.04968	20.4
152.06258	0.6
153.06969	1.5
157.06500	10.3
163.06015	7.1
169.06450	2.6
171.04427	1.0
171.08066	2.3
180.08702	2.0
181.06477	24.8
199.07547	23.2
202.20523	0.6
209.05974	7.0
213.05487	1.3
223.07555	1.5
227.07037	100.0
228.07344	0.8
241.08598	2.1
244.07372	1.7
247.07506	0.6
249.05342	0.6
249.11279	1.9
251.07010	2.2
258.09158	0.6
259.09668	71.4
260.10181	0.8
269.08041	1.0
271.09760	0.8
283.09711	2.0
293.08340	1.0
295.09738	1.6
307.09943	0.8
325.10681	2.6
385.12738	1.8
419.50690	0.6
421.14847	2.5
559.76605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01642	0.4
55.01876	6.7
57.03423	1.8
61.02925	2.9
62.32254	0.4
69.03436	5.4
70.03465	1.9
70.06588	0.9
71.04992	0.8
72.58955	0.5
73.02903	1.3
81.03416	2.4
85.02911	33.2
87.04463	0.6
91.03939	1.4
95.46216	0.4
97.02894	7.7
98.21492	0.8
99.04425	1.7
103.03929	0.6
107.04955	1.0
109.02885	2.6
117.56470	0.4
127.03930	6.5
128.06247	0.5
136.07527	0.7
139.03995	0.4
141.07019	0.5
145.04967	16.0
151.44647	0.5
152.06151	0.8
153.06993	2.6
157.06490	9.4
163.06012	4.7
169.06548	3.0
171.04301	1.0
171.08051	2.6
175.79411	0.4
180.08664	1.8
181.06488	20.9
182.06911	0.5
185.05994	0.8
195.08078	1.0
199.07556	20.6
199.09416	1.1
205.06596	0.6
209.05989	8.1
210.06505	0.5
213.05380	0.6
219.08119	0.6
223.07520	1.9
227.07039	100.0
228.07355	1.7
241.08629	2.0
249.11322	0.7
251.07098	2.5
254.05763	0.8
259.09677	69.6
260.10019	1.1
265.08499	1.1
269.08026	2.6
271.09692	0.7
283.09641	1.9
293.08084	1.3
295.09641	1.5
301.10706	1.2
307.09698	0.9
325.10794	3.5
367.11707	0.5
385.12860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
58.83627	0.4
67.05501	0.5
68.23821	0.5
69.03425	0.8
69.07033	0.4
69.22857	3.1
70.06581	1.8
72.08156	1.1
81.03401	0.4
81.07056	0.5
84.04514	0.6
84.08128	0.7
85.02910	2.6
86.09701	0.9
91.05481	1.2
93.03040	0.4
95.08543	0.5
97.02891	1.7
107.04957	10.2
115.05449	1.3
120.08143	0.9
122.05997	1.0
127.03934	0.6
128.06210	1.2
129.07024	4.9
129.10225	0.5
131.08560	5.6
133.06462	1.2
141.06961	2.3
142.07703	0.8
143.08536	1.2
143.71005	0.4
144.05687	2.2
145.04930	0.8
145.06468	1.4
146.07275	0.7
147.04350	0.5
153.06992	0.6
157.06506	2.9
157.07582	0.5
158.07275	0.5
159.08054	11.1
161.06009	0.7
161.09627	2.7
162.07631	0.6
167.07014	3.0
169.07631	1.1
170.07272	1.6
171.08035	1.8
172.05193	0.8
173.05956	1.3
175.07500	0.6
180.08725	0.8
187.07549	7.0
189.09059	3.2
193.08644	0.6
198.06679	0.6
199.07509	1.0
200.12852	0.9
203.07062	1.3
204.07819	4.0
205.08614	0.8
216.07791	1.4
219.10130	1.9
221.11725	1.4
226.49643	0.5
231.10214	2.9
234.08904	0.7
237.11125	0.7
249.11221	100.0
250.11650	0.9
267.12311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	3.4
53.03941	8.5
55.05512	18.0
57.07079	33.1
57.19861	3.9
60.14883	3.3
65.03916	4.0
67.05511	29.3
69.03419	9.0
69.07059	18.7
69.55609	15.5
69.56024	5.3
71.04975	6.3
71.08630	21.2
73.06554	7.4
76.46603	3.5
77.96804	3.2
79.05493	25.0
81.07050	34.9
83.04971	12.9
83.08619	15.4
85.06528	6.3
85.10178	15.5
86.18092	2.6
87.04464	10.9
89.06035	100.0
91.05476	43.3
93.07050	48.4
95.04958	19.0
95.08604	30.0
97.06522	13.2
97.10162	5.1
97.31239	2.5
98.21493	6.3
103.05454	5.1
105.07035	79.5
107.04954	11.2
107.08596	48.3
109.06516	17.2
109.10155	24.7
111.08101	9.2
113.09664	3.9
115.05465	9.3
117.07014	20.1
117.09066	3.6
119.07813	5.2
119.08588	61.1
121.06499	9.2
121.10152	52.1
123.08058	24.9
123.11690	8.8
125.06022	3.3
125.09614	10.5
128.06215	13.9
129.07013	19.3
130.07794	9.5
131.04919	3.2
131.08565	36.6
133.06494	5.2
133.07660	4.6
133.08609	51.7
133.10118	42.0
135.08055	18.1
135.11722	13.7
137.09641	10.1
139.11111	4.5
141.06979	11.7
142.07782	31.7
143.08569	42.4
144.09320	13.5
145.06438	7.2
145.10120	58.3
147.08029	14.4
147.11723	17.1
149.09637	14.1
151.07581	5.0
153.07011	5.8
155.08546	18.9
155.10629	10.1
156.09334	20.7
157.10127	54.9
158.07301	4.7
158.10886	8.4
159.08057	16.9
159.11711	37.9
160.08942	4.7
161.09619	12.4
161.13275	8.1
163.11206	6.9
165.06964	7.2
165.09117	12.4
165.12666	3.5
166.07687	4.3
167.08611	13.9
167.10677	21.7
168.09383	5.8
169.10129	30.0
169.19550	5.6
170.10838	8.0
171.11687	33.4
171.12997	4.5
172.12463	3.5
173.06006	4.0
173.09599	8.5
173.13242	18.7
174.13892	3.3
175.11192	16.1
175.14842	6.0
177.11220	19.1
179.08562	9.5
180.09210	3.8
181.10127	15.3
181.12302	4.5
182.10829	7.1
183.11699	28.6
184.12491	5.9
185.09666	4.9
185.13274	19.9
187.11115	7.2
187.14803	8.8
189.12679	8.1
190.13423	3.9
191.14304	4.6
192.09351	5.8
193.10194	16.6
193.11870	3.3
194.10872	7.0
195.11690	26.0
196.12486	9.6
197.09666	3.8
197.13266	24.0
199.11151	8.2
199.14781	14.2
201.12689	6.8
201.16415	4.2
203.14282	9.7
205.10144	5.8
206.10826	7.0
207.11674	16.6
207.13635	5.8
208.12419	8.4
209.13246	23.0
209.15030	4.7
210.13892	5.0
211.11160	6.6
211.14769	17.4
213.12729	10.0
213.16400	7.1
215.14299	10.7
217.15810	5.4
218.16667	3.3
219.11707	5.2
219.13770	3.5
220.12511	6.3
221.13332	14.3
221.15395	20.6
222.14078	5.6
223.14828	16.7
225.12766	4.6
225.16347	9.9
227.14355	7.6
227.18044	3.7
229.15829	5.4
231.11754	8.0
233.13170	8.5
233.15408	18.2
234.16028	6.0
235.14786	8.4
237.16472	15.8
239.14374	3.9
239.17987	4.2
241.16087	3.6
245.13318	4.0
246.13902	3.7
247.14761	4.7
247.16951	3.3
249.16368	11.4
251.14420	5.3
251.18074	6.6
253.16063	4.0
255.17453	25.2
257.24722	4.7
259.14670	4.9
261.16452	6.6
263.17896	6.8
264.60056	3.0
265.19528	4.7
265.25189	6.1
267.17416	5.0
269.18845	3.9
270.19745	5.3
273.16110	4.8
273.18701	4.0
277.19440	6.5
279.17392	5.2
281.19043	7.8
282.19754	4.1
285.18820	4.2
289.19684	4.3
295.20490	4.8
299.20364	6.0
319.20633	3.0
327.20410	3.9
333.21954	3.9
339.29028	4.5
356.26093	3.4
365.24701	8.2
383.25830	5.8
415.25198	6.8
567.38092	4.5
583.43317	8.5
600.40826	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.8
52.14211	2.4
53.03949	4.6
55.05510	17.0
57.07073	5.3
59.05000	3.0
65.03922	4.5
67.05505	33.3
69.03419	10.5
69.07072	19.5
70.73948	6.2
71.04984	7.3
77.03889	3.5
79.05495	31.9
81.07061	34.9
83.04994	14.1
83.08628	12.9
85.06538	11.1
87.04440	2.6
89.06026	4.4
91.05483	63.2
93.07044	55.0
95.04972	21.9
95.08614	31.8
97.06526	18.4
99.32166	2.9
103.05477	4.4
105.07040	100.0
107.04969	5.1
107.08604	60.8
109.06534	19.5
109.10172	32.0
111.08070	6.4
115.05450	5.7
117.07040	22.3
119.04916	3.6
119.08587	77.8
121.06530	10.2
121.10154	48.9
123.08062	28.2
123.11723	6.1
125.09628	11.7
128.06203	16.8
129.07019	22.3
130.07797	8.9
131.08575	45.5
133.06488	5.7
133.08588	4.0
133.10130	44.7
135.08063	18.9
135.11739	13.8
137.09608	10.9
139.11177	6.0
141.07024	11.0
142.07806	26.2
143.08574	50.9
144.09357	12.7
145.06525	4.9
145.10123	65.7
145.11165	4.9
146.10876	4.0
147.08032	13.4
147.11694	16.3
149.09682	16.0
151.07530	8.6
151.11237	4.0
153.06970	5.9
155.08559	23.3
155.10641	14.3
156.09329	21.1
157.10132	66.3
158.10880	9.2
159.08084	24.3
159.11697	47.4
160.08842	8.3
161.09676	16.4
161.13258	10.7
163.11191	11.0
165.06961	6.6
165.09146	8.2
166.07819	6.7
167.08614	13.5
167.10687	16.3
168.09363	7.8
169.10141	25.5
170.10905	15.2
171.11705	44.2
172.12390	4.7
173.09634	8.3
173.13260	24.0
175.11186	13.9
175.14850	6.4
177.12782	4.7
179.08577	12.8
179.10577	3.4
180.09305	8.4
181.10126	21.7
181.12273	5.2
182.10905	16.3
183.11729	32.2
184.12581	4.7
185.09637	5.7
185.13261	28.6
186.10364	4.3
186.14035	4.7
187.11237	8.3
187.14864	10.0
189.12772	8.7
191.14362	6.2
192.09433	3.8
193.10196	18.7
194.10921	11.3
195.11714	35.4
196.12477	12.0
197.09567	4.4
197.13278	30.8
198.14014	3.4
199.11183	10.1
199.14815	18.2
201.12868	5.8
203.14375	14.7
205.10147	6.0
206.10986	6.4
207.11806	22.5
207.13646	4.0
208.12474	9.6
209.13286	27.1
209.15222	4.8
210.13977	3.6
211.11293	4.9
211.14713	13.7
213.12762	13.3
215.14328	13.1
217.10176	3.4
217.15799	5.3
218.10861	2.8
218.16606	5.2
219.11690	6.0
219.13576	3.7
220.12463	9.8
221.13278	16.8
221.15392	23.8
223.14848	16.6
225.12822	6.2
225.16446	10.8
227.14388	6.3
231.11641	6.1
232.12444	5.9
233.13272	9.8
233.15419	18.4
234.13976	4.3
234.16113	5.6
235.14832	12.1
236.15556	4.1
237.12700	4.4
237.16389	11.3
239.14351	4.0
239.17851	5.3
241.15862	4.6
245.13234	4.1
247.14781	8.0
247.17000	3.8
248.15738	3.6
249.16338	11.0
250.17189	3.3
251.18022	6.7
253.16006	5.4
255.17476	33.0
257.13242	5.2
259.14780	6.6
261.16440	6.8
263.17941	6.7
265.19485	4.3
267.17484	4.3
268.18277	3.8
269.18930	7.2
270.19702	4.7
273.16129	3.5
273.18765	6.6
277.16196	5.2
277.19485	3.1
279.17465	3.5
281.19141	7.1
283.20493	3.9
285.18610	3.3
286.19388	4.8
287.20169	4.9
295.20520	5.2
299.20239	5.1
309.18430	3.6
319.20551	3.9
345.21896	4.1
347.23660	4.1
352.24051	4.6
365.24658	6.6
383.25873	9.1
524.28973	3.0
549.37262	5.1
562.80310	3.1
567.38702	3.9
582.40326	3.9
600.41522	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.05506	17.2
57.07065	14.4
67.05519	29.7
69.03416	5.4
69.07062	15.6
69.89922	10.2
69.90341	15.7
71.08627	5.1
79.05489	25.6
81.07055	42.8
83.04977	11.6
83.08604	13.6
85.06545	7.3
89.06033	33.1
91.05493	45.1
93.07040	50.5
95.04974	23.5
95.08612	36.5
97.06509	12.3
103.05434	9.4
105.07043	77.1
107.08603	38.3
109.06507	13.4
109.10152	32.3
110.19243	5.8
115.05478	7.7
117.07036	23.2
119.08597	100.0
121.06506	10.3
121.10157	38.4
123.08094	31.7
123.11695	7.4
125.05994	6.9
128.06224	8.8
129.07004	17.2
131.08586	39.7
131.60376	4.8
133.06480	5.5
133.08617	17.5
133.10132	42.8
135.08052	19.0
135.11717	12.0
137.09631	14.2
141.07013	10.4
142.07793	22.8
143.08575	32.5
144.09286	7.9
145.10115	68.2
147.08051	20.4
147.11661	17.2
149.09599	12.1
151.07455	8.9
155.08545	15.7
155.10706	6.0
156.09335	9.9
157.10132	50.2
158.10875	10.0
159.08051	7.8
159.11696	32.0
160.08856	19.4
161.09576	12.8
161.13252	9.3
163.11168	12.1
165.09125	35.7
166.07967	5.3
167.08517	7.9
168.09306	4.9
169.10144	32.0
170.10774	6.4
171.11668	24.1
173.09631	11.4
173.13257	21.5
175.11223	19.8
179.08582	9.5
180.09285	7.0
181.10144	12.4
181.12276	17.4
182.10947	8.0
183.11746	21.7
185.13298	18.8
187.11104	7.5
189.12730	10.2
190.13548	6.8
193.10120	15.8
193.12227	14.9
194.10905	7.8
195.11674	18.8
196.12358	7.3
197.13297	20.9
199.11189	7.6
199.14912	7.5
201.12802	10.2
203.14296	13.7
207.11746	10.1
207.13780	7.1
208.12479	9.6
208.14500	9.0
209.13222	15.3
211.14810	14.8
215.14328	9.3
219.11867	6.2
221.13371	8.9
221.15361	79.3
223.14882	9.2
225.16495	6.9
233.15462	8.3
234.16188	14.6
237.12805	6.4
246.14079	6.2
247.16934	19.3
249.16507	5.3
263.17853	6.6
274.19244	6.8
286.19183	7.5
287.20038	13.8
299.20087	15.9
311.20053	6.3
312.20953	6.2
325.21588	12.6
340.23987	7.5
352.23843	21.0
398.52087	5.0
419.29294	6.9
425.09152	5.8
425.38788	5.5
427.28302	12.7
437.00189	5.4
440.29227	20.2
484.88690	5.3
508.34866	6.0
520.35553	23.2
600.41199	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
51.31582	1.6
53.03929	3.5
55.01848	2.1
55.05510	11.5
55.65317	1.8
57.07076	11.6
59.04978	3.2
61.41309	1.7
65.03934	2.2
67.05511	13.9
69.03433	9.4
69.07057	7.1
69.91717	4.8
69.92120	6.5
71.04991	2.0
71.08611	2.0
79.05498	16.3
81.07056	18.8
82.80132	1.6
83.04967	6.9
83.08611	4.1
85.06516	6.0
89.06059	3.2
91.05479	29.1
93.07044	35.7
95.04964	9.4
95.08596	19.6
97.06520	8.3
101.25802	2.0
103.05450	3.3
103.10350	1.7
105.07032	45.0
106.07837	2.5
106.81982	1.9
107.08579	27.8
109.06509	13.3
109.10146	10.0
111.08086	2.8
115.05450	3.2
117.07037	12.1
119.08582	59.2
120.09385	2.3
121.06500	8.9
121.10136	20.9
123.08057	20.1
123.11700	2.4
125.05984	11.7
128.06201	6.5
129.07030	9.6
130.07790	4.3
131.08582	28.8
132.09363	2.3
133.06496	3.0
133.08574	3.1
133.10124	23.5
135.07222	2.1
135.08061	17.8
135.11694	9.9
137.05974	3.4
137.09621	13.9
139.07620	2.2
141.06964	5.9
142.07787	8.8
143.08565	24.1
144.09346	5.8
145.06482	4.7
145.10121	36.3
147.08032	26.2
147.11658	9.7
149.09622	10.9
151.07523	8.1
152.08295	2.7
154.07764	2.5
155.08545	8.9
156.09352	10.6
157.10132	38.4
158.10869	7.1
159.08055	8.0
159.11691	28.6
160.08839	6.7
161.09631	10.5
161.13245	7.3
163.07521	2.9
163.11192	17.4
165.07097	2.2
165.09131	45.9
166.09465	2.3
167.08546	5.4
168.09332	5.1
169.10139	18.8
170.10876	4.1
171.08012	2.3
171.11679	20.4
172.12392	6.5
173.09590	8.1
173.13252	7.9
174.10303	2.1
175.11195	18.8
175.14822	1.9
177.09085	3.9
177.11339	2.5
177.12825	2.1
178.09882	5.4
178.82990	1.8
179.08553	5.6
179.10590	2.5
180.09360	2.6
181.10149	10.2
181.12221	18.8
182.10881	3.3
183.11726	17.5
184.12407	4.1
185.09592	3.2
185.13243	11.6
187.11125	4.9
187.14850	6.3
189.12752	9.4
190.13538	8.6
191.10616	5.1
192.09325	2.1
193.10176	6.1
193.12238	17.0
194.10944	3.1
195.11711	11.5
195.13586	3.3
196.12469	5.2
197.13255	10.7
198.10413	1.9
199.11107	7.3
199.14835	2.0
201.12746	9.1
203.14317	22.2
205.12169	2.5
207.11684	6.1
207.13806	8.8
208.12512	3.8
208.14543	11.4
209.13261	10.9
210.13959	2.6
211.11211	3.7
211.14786	9.3
212.11894	2.4
213.12778	5.1
213.16360	3.3
215.14296	3.8
216.14951	1.9
219.13808	6.3
221.13324	6.3
221.15347	100.0
222.13771	2.5
222.15723	8.5
223.11090	2.0
223.14836	5.1
225.12782	9.5
225.16342	4.9
229.12259	2.8
229.15880	3.3
231.11691	2.6
231.13809	2.8
233.13268	4.3
233.15378	4.5
234.13901	3.3
234.16060	21.0
235.14740	6.0
237.12698	3.0
237.16415	3.9
239.14287	3.3
239.17970	2.9
243.13841	2.6
245.15503	2.1
247.14648	2.4
247.16957	32.3
248.17415	3.8
249.16370	2.7
253.15826	3.7
259.16934	4.0
261.18631	2.3
269.15405	3.2
271.17123	3.3
274.19254	14.9
279.17249	2.5
281.19131	3.5
283.26309	3.8
285.18497	4.3
286.19202	5.1
287.20154	10.3
291.17050	2.0
295.20618	2.9
297.18457	3.8
299.20139	17.9
300.20889	3.3
310.19229	2.1
311.20218	3.4
312.20801	8.6
313.21509	6.1
323.19925	2.9
325.21631	16.4
327.23145	3.4
337.21402	4.3
339.23190	3.5
340.23953	17.0
352.24011	32.2
365.24695	8.2
366.25528	6.6
379.26248	5.2
391.26309	3.6
392.26974	5.3
400.25845	2.8
402.27692	2.9
413.26633	4.3
419.29443	14.1
420.30115	5.7
425.26825	7.4
426.27600	4.4
427.28564	13.7
440.29242	47.6
442.30862	4.9
453.30453	2.4
507.34637	3.2
508.35687	9.6
520.35443	31.2
585.39764	4.2
600.41425	35.1
600.56256	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01885	2.6
55.05509	5.4
57.07073	11.6
59.05001	3.9
67.05504	11.6
69.03420	8.1
69.07067	7.5
69.13272	30.5
79.05514	15.4
81.07063	21.5
83.04986	6.6
85.06569	5.7
89.30788	2.2
91.05491	28.2
93.07047	37.4
95.04969	7.2
95.08617	21.1
96.05801	2.9
97.06537	6.2
105.07034	44.3
107.08602	23.6
109.06519	10.1
109.10172	6.4
111.04514	3.2
117.07046	10.1
119.08592	59.8
121.06516	8.5
121.10155	21.2
123.08078	23.1
123.11655	3.4
125.06009	9.1
128.06224	5.2
129.06973	13.2
130.07767	4.9
131.08574	23.5
133.10103	19.5
135.08067	13.6
135.11716	4.5
137.05948	3.7
137.09631	13.3
142.07791	12.1
143.08557	23.6
144.09354	6.0
145.10130	42.6
147.08044	29.4
147.11722	7.6
149.09644	9.9
151.07561	9.9
154.07753	4.5
155.08577	8.1
156.09346	9.8
157.10141	36.5
158.11008	6.8
159.08054	7.7
159.11714	26.9
160.99390	3.2
161.09650	13.2
161.13220	7.9
163.11191	19.1
165.07016	4.1
165.09117	44.9
167.08563	3.1
168.09348	3.9
169.10139	16.8
170.10846	7.4
171.11693	20.4
172.12274	3.3
173.09628	7.0
173.13266	8.0
175.11197	14.0
177.09131	5.0
179.08582	3.6
180.11443	4.2
181.10152	10.5
181.12201	17.6
182.10973	7.4
183.11731	16.8
185.09673	5.1
185.13245	11.3
186.10562	2.9
187.11217	5.6
188.43982	2.6
189.12769	8.9
190.13463	12.6
191.10727	6.1
193.10452	2.8
193.12274	18.5
194.10812	5.0
195.11696	8.9
195.13799	3.0
197.09578	2.8
197.13239	14.6
199.11308	6.3
201.12692	8.7
203.10541	2.9
203.14322	22.6
207.11856	5.5
207.13815	11.1
208.12622	3.9
208.14635	9.5
209.13240	9.5
211.11128	3.5
211.14838	11.1
212.15652	3.6
213.12733	4.6
215.14316	5.7
219.11871	3.9
219.13863	9.8
221.13309	6.5
221.15355	100.0
222.15752	11.0
223.14835	6.1
225.12744	3.6
227.14455	3.7
229.15962	2.7
233.15518	4.9
234.16167	21.0
235.14853	4.9
237.12711	4.0
239.14452	4.8
239.17625	3.0
245.13313	3.0
247.16969	28.3
248.17799	3.6
249.16341	3.9
251.14374	3.4
259.16916	4.8
261.18570	3.3
271.17044	4.2
274.19250	14.8
281.19025	4.9
286.19357	3.9
287.20154	13.9
297.18582	3.9
299.20065	14.4
300.20663	5.2
307.20325	3.1
311.20120	5.2
312.20862	5.8
313.21552	8.2
325.21677	14.5
326.22272	4.0
337.21683	5.7
340.24036	13.8
351.23135	3.9
352.23993	39.1
353.24359	3.2
365.24359	6.2
366.25146	3.8
387.25110	5.2
391.26389	3.6
392.26910	4.8
400.25912	3.6
413.26715	5.8
419.29449	8.9
420.30267	4.8
425.26849	7.4
426.27420	5.2
427.28638	15.4
440.29117	34.4
442.30188	3.7
508.35367	4.4
520.35376	35.3
521.36517	3.0
585.38916	4.6
600.41479	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
53.05758	2.8
55.05510	12.0
57.07063	9.9
61.24867	3.0
61.25346	2.7
67.05506	22.9
69.03429	19.0
69.07063	10.5
70.93862	5.7
71.05025	3.5
75.47124	2.6
77.03921	4.0
79.05502	28.6
81.07057	33.2
83.04986	11.4
83.08601	5.1
85.06548	8.3
85.92950	2.4
91.05488	45.5
93.07052	61.6
95.04987	14.4
95.08614	31.9
97.06527	10.0
105.07040	72.9
107.04963	3.5
107.07887	3.3
107.08604	47.2
109.06538	18.9
109.10146	12.0
111.08091	3.8
115.05461	6.6
117.07029	23.1
119.04927	3.6
119.08591	67.2
120.09350	3.0
121.06531	13.6
121.10144	46.8
122.07275	3.5
123.08067	26.8
123.11744	3.7
125.05982	5.0
125.09633	6.0
128.06218	11.5
129.07004	18.4
130.07780	10.0
131.08575	41.3
132.09325	3.4
133.06477	9.5
133.10135	37.1
135.08046	24.6
135.11685	11.9
137.06009	4.0
137.09602	12.6
139.07509	3.2
139.11203	4.5
141.07001	7.9
142.07805	25.8
143.08560	40.9
144.09314	10.2
145.06493	4.1
145.10135	55.6
146.10818	2.7
147.08055	25.7
147.11674	12.9
149.09648	16.2
151.07556	16.0
153.06970	5.8
155.08600	17.6
156.09319	19.9
157.10147	69.6
158.07382	3.1
158.10878	9.1
159.08060	15.6
159.11696	34.1
161.09604	22.1
161.13228	6.5
163.11208	18.4
165.07005	6.8
165.09114	41.3
166.07762	6.1
167.08571	10.1
167.10712	12.1
168.09274	9.1
169.10181	23.2
170.10872	12.2
171.08066	3.6
171.11676	33.2
172.08833	3.1
172.12465	8.0
173.09637	13.9
173.13306	16.6
175.11206	17.6
175.14815	3.5
177.12706	6.4
179.08536	9.5
179.10698	5.9
180.09357	3.7
181.10120	13.2
181.12256	10.3
182.10905	9.8
183.11714	19.3
184.12430	5.6
185.09666	5.3
185.13266	18.6
186.10332	2.8
187.11163	9.3
187.14780	4.8
189.12756	10.4
190.13580	15.5
191.10712	2.9
191.14252	5.4
193.10184	8.1
193.12230	14.2
194.10863	6.9
195.11710	20.5
195.13455	4.5
196.12370	6.7
197.09674	6.9
197.11671	2.7
197.13280	15.3
199.11221	8.7
199.14885	7.3
201.12755	5.7
202.13564	3.3
203.14345	25.1
205.10104	5.4
206.10860	5.8
207.11673	18.3
207.13814	15.2
208.12495	7.3
208.14569	11.5
209.13272	17.7
209.15056	6.6
210.13908	3.1
211.11043	4.5
211.14825	8.5
213.12738	8.2
217.12206	5.9
217.15875	2.7
218.10880	3.1
218.16612	3.5
219.11765	6.4
219.13818	8.0
220.12494	5.9
221.13251	14.6
221.15331	88.2
222.15715	4.8
223.14787	9.5
225.12627	6.9
225.16479	6.0
227.14265	5.0
229.15991	3.6
231.11700	3.5
233.13402	5.1
233.15352	20.5
234.16068	12.0
235.14772	8.8
237.12703	6.2
237.14700	37.7
241.15970	4.8
243.11682	3.9
246.14014	3.8
247.14845	4.3
247.17004	6.8
248.13989	13.1
249.16309	4.0
251.16374	3.7
253.15860	7.7
255.17401	16.1
259.16974	4.1
261.16376	8.8
263.17886	6.4
267.17560	4.1
269.18832	5.8
270.19760	6.4
271.16977	4.7
273.18607	6.0
274.19379	17.8
275.17975	5.4
279.17493	3.7
281.18933	4.8
285.18494	8.4
286.19333	16.8
287.20041	13.1
294.19659	7.0
299.20255	13.3
300.20877	3.3
303.19543	60.8
309.18454	4.4
311.20306	5.3
312.20862	6.9
313.21857	19.3
319.20526	4.4
325.21570	15.2
337.21600	11.6
347.23499	3.2
352.24011	100.0
352.28445	4.9
353.24158	2.9
365.24808	25.4
377.24680	5.7
383.25946	5.3
441.29407	2.7
487.31805	5.8
502.34271	12.6
503.34937	7.6
505.32944	10.0
507.34589	11.1
508.35114	9.4
520.35522	45.4
583.40778	3.6
600.41406	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05508	10.2
56.51752	2.4
57.07069	12.3
58.93063	2.7
59.04994	2.6
65.03930	6.3
67.05505	17.8
69.03419	9.0
69.07081	6.7
69.42798	19.5
69.94220	2.7
79.05479	17.3
81.07070	23.9
83.04968	6.8
83.08614	6.9
85.06541	6.0
89.06037	7.4
91.05475	31.6
93.07059	42.4
95.04960	14.8
95.08613	26.7
97.06556	3.9
105.07037	57.5
107.08613	26.8
109.06517	13.8
109.10153	11.4
115.05473	4.3
117.07018	12.3
119.08582	62.4
120.09380	3.5
121.06512	7.0
121.10152	26.8
123.08083	17.2
123.08842	3.0
123.11711	4.4
125.05991	10.6
128.06235	7.6
129.07030	15.8
130.07788	7.7
131.08571	29.2
133.06514	4.9
133.10141	24.5
135.08083	18.9
135.11705	10.6
137.09644	14.5
139.07524	4.2
141.07021	7.8
142.07784	11.0
143.08571	28.2
144.09372	7.3
145.06459	3.5
145.10143	44.2
147.08061	29.9
147.11714	9.5
149.09634	12.5
151.07552	10.8
155.08557	11.9
156.09344	11.0
157.10138	41.5
158.10857	6.6
159.08105	8.6
159.11710	26.4
161.09642	13.7
161.13284	11.2
162.10381	4.1
163.11183	21.7
165.09113	45.9
167.08531	6.6
168.09325	4.9
169.10162	18.5
170.10884	7.6
171.08044	2.9
171.11722	23.5
172.12431	4.4
173.09624	9.2
173.13231	10.3
175.11217	18.7
175.14769	3.2
177.09119	5.3
177.12798	2.7
179.08641	5.3
180.09467	3.1
180.11491	5.7
181.10165	7.5
181.12277	17.3
182.10907	5.7
183.11656	15.4
185.09589	6.4
185.13271	11.5
187.11177	4.8
187.14833	6.0
189.12756	9.3
190.13544	10.3
191.10707	3.0
191.14346	4.8
193.10165	7.5
193.12267	13.9
194.10912	3.9
195.11714	12.6
195.13409	2.7
195.30014	2.6
196.12378	6.0
197.09682	4.4
197.13319	15.6
199.11304	6.6
199.14819	5.9
201.12733	11.5
203.14349	19.3
207.11671	8.1
207.13805	11.7
208.12589	4.1
208.14601	11.9
209.13274	6.0
210.13988	3.4
211.11273	5.7
211.14835	9.8
212.15518	4.5
213.12755	4.8
216.14967	3.1
219.11812	3.3
219.13809	10.8
220.12520	3.4
221.13452	6.0
221.15372	100.0
223.14868	8.7
225.12820	5.0
229.15891	3.5
233.13252	5.1
233.15475	4.1
234.16139	24.5
235.14726	4.1
237.12878	5.1
237.16286	5.7
239.14197	5.1
241.15927	3.9
247.16968	30.6
249.16399	3.6
253.15932	4.0
259.17050	3.5
261.18607	3.1
269.19031	3.0
271.17126	3.6
272.18073	2.9
273.18527	6.6
274.19342	11.8
285.18491	3.4
286.19315	4.4
287.20178	14.7
299.20035	16.7
300.20798	3.0
311.19958	5.8
312.20883	7.4
313.21594	11.0
325.21561	13.0
327.23114	4.0
337.21634	7.2
339.23016	5.1
340.23779	15.3
352.24014	46.5
365.24792	8.5
372.08926	2.8
379.26382	7.7
387.25473	7.6
391.26160	5.5
392.26892	4.7
413.26724	7.9
419.29291	11.6
420.29965	5.6
425.26782	5.0
427.28384	11.4
440.29239	46.2
442.30750	8.5
454.30701	4.5
507.34558	5.9
508.35513	7.7
520.35571	44.0
521.35382	3.6
583.41589	3.0
585.38849	4.5
600.41626	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01870	4.7
55.05516	17.1
55.40211	3.4
56.26307	3.2
57.07072	10.1
66.74055	2.9
67.05516	25.4
69.03410	15.8
69.07059	14.9
69.29097	20.9
71.05002	5.4
74.01565	3.4
75.08986	2.8
79.05493	29.4
81.07052	33.2
83.04975	17.4
83.08617	12.4
85.06519	6.4
91.05480	53.5
93.07035	58.7
95.04961	24.2
95.08602	29.4
97.06535	13.8
105.07030	100.0
106.07851	4.6
107.08590	49.2
109.06505	17.4
109.10165	20.1
111.08067	6.3
113.14150	3.5
115.05454	6.2
117.07017	22.6
119.08581	82.0
121.06485	13.1
121.10149	44.6
122.07338	3.9
123.08068	24.9
123.11730	4.2
125.05995	5.3
125.09632	7.7
128.06203	15.4
129.06990	23.5
130.07771	7.7
131.06198	4.2
131.08572	36.7
133.06490	5.8
133.10120	46.1
135.08080	19.5
135.11685	11.8
137.09608	17.1
141.06979	12.3
142.07787	29.8
143.08575	53.6
144.09340	15.8
145.10132	59.4
146.10948	3.5
147.08052	24.2
147.11679	15.7
149.09630	18.6
151.07532	17.7
153.06958	5.6
154.07906	4.3
155.08556	20.3
156.09384	16.4
157.10127	82.4
158.10881	12.6
159.08078	22.6
159.11707	41.4
161.09561	19.6
161.13245	11.6
163.11172	12.5
165.07034	6.3
165.09113	37.1
167.08585	11.2
167.10681	19.0
168.09352	8.5
169.10092	29.2
170.10887	13.5
171.08067	4.0
171.11700	37.5
172.12459	7.5
173.09679	15.6
173.13254	20.0
174.10417	5.5
175.11201	22.7
175.14825	6.1
179.08553	7.9
180.09392	4.3
181.10094	17.6
181.12213	5.4
182.10939	17.0
183.11716	28.7
185.09695	5.8
185.13235	22.6
187.11163	12.1
187.14825	8.0
189.12727	9.9
190.13570	5.0
191.10628	5.1
191.14226	4.6
192.09424	5.3
193.10138	13.4
193.12251	11.0
194.10902	11.5
195.11771	26.6
195.13564	6.2
196.12497	8.7
197.09763	5.2
197.13234	29.5
199.11189	6.4
199.14818	10.8
201.12740	6.4
203.14316	21.6
205.10181	4.1
206.10902	4.2
207.11681	17.7
207.13824	14.4
208.12561	7.3
208.14516	5.8
209.13284	22.9
210.13968	6.6
211.11279	7.7
211.14827	10.3
213.12746	13.3
213.16322	4.8
215.14262	8.7
218.16652	4.1
219.11768	5.8
219.13850	8.2
220.12488	6.6
221.13261	16.8
221.15381	77.5
222.14046	5.0
223.11127	5.7
223.14830	7.8
225.12885	4.9
225.16385	8.3
227.14240	4.1
231.11600	4.0
233.13295	7.3
233.15404	26.1
234.16098	8.5
235.14786	14.0
237.12688	7.0
237.14627	25.6
239.14279	5.1
241.15820	4.6
247.14745	8.0
247.17004	7.0
248.14017	6.6
253.16000	6.6
255.17422	23.4
261.16382	5.6
263.18164	3.9
267.17340	3.9
268.18527	3.7
269.18967	5.3
270.19730	8.3
271.17053	4.9
274.19394	6.2
277.19330	3.6
279.17291	5.6
281.19196	8.3
285.18582	7.8
286.19321	11.4
287.20099	11.2
293.18747	3.6
295.20670	4.7
297.18500	3.9
299.20135	11.4
303.19498	39.1
311.20010	4.1
312.20810	4.6
313.21616	10.5
325.21609	11.3
335.23605	3.9
337.21567	4.0
347.23666	3.6
352.23984	79.3
365.24774	16.5
377.24411	4.4
378.25058	3.7
383.25598	4.6
502.34122	8.1
503.35080	4.9
505.33401	7.2
507.34341	9.3
508.34799	6.5
520.35553	34.2
585.39862	3.7
600.41510	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.9
52.42885	2.2
53.03947	5.7
55.05512	21.3
57.07064	8.6
65.03937	5.9
67.05510	33.7
69.03429	18.1
69.07075	18.3
71.04987	9.7
71.33602	4.7
79.05492	32.5
80.27054	2.4
81.07059	35.2
83.04977	16.4
83.08626	17.3
85.06533	9.4
87.04482	3.9
91.05486	54.4
93.07047	62.5
95.04971	21.1
95.08607	38.8
97.06544	13.9
97.54785	3.0
100.08105	2.5
103.05480	4.2
105.04513	4.3
105.07038	100.0
106.07856	3.4
107.04932	5.7
107.08600	64.9
109.06530	20.0
109.10165	33.8
111.08035	7.9
113.09638	6.8
115.05446	7.0
117.07025	19.5
119.04933	3.6
119.08586	92.4
121.06480	12.6
121.10152	54.8
123.08085	33.8
123.11749	6.9
125.09660	15.8
128.06233	19.7
129.07008	25.4
130.07782	10.3
131.08578	48.1
132.09319	3.6
133.06479	3.8
133.10139	47.6
134.10913	2.9
135.08075	24.2
135.11699	12.2
137.09642	19.1
139.11165	3.5
141.06979	14.1
142.07791	30.9
143.08575	54.7
144.09372	16.8
145.06458	4.9
145.10124	75.6
146.10912	3.3
147.08052	21.7
147.11691	22.8
149.09576	18.0
151.07513	8.3
153.06975	6.3
154.07854	6.0
155.08578	25.4
155.10652	11.8
156.09346	29.7
157.10138	76.3
158.10869	11.2
159.08083	24.0
159.11696	49.4
160.08812	6.7
161.09631	19.7
161.13277	10.0
163.11174	11.8
165.06999	10.7
165.09140	13.7
166.07825	4.2
167.08559	12.7
167.10710	17.6
168.09315	11.0
169.10144	33.1
170.10866	15.0
171.08098	4.6
171.11684	49.6
172.12335	5.1
173.09625	11.8
173.13249	23.2
174.13950	3.7
175.11206	22.0
175.14842	8.3
177.12811	4.2
179.08510	15.2
179.14297	3.6
180.09317	7.5
181.10094	21.7
181.12236	7.1
182.10916	14.7
183.11696	32.1
184.08885	2.9
184.12424	9.3
185.09650	8.9
185.13249	30.5
186.13976	4.6
187.11147	12.7
187.14789	14.1
189.12764	9.1
190.13644	4.4
191.14313	4.3
192.09280	3.2
193.10141	23.3
193.12029	4.3
194.10854	12.7
195.11697	34.4
196.12488	14.3
197.13272	30.4
199.11148	9.0
199.14861	21.3
200.11934	3.3
201.12712	8.7
201.16389	3.4
203.14330	18.9
204.09293	3.2
205.10130	6.2
206.10887	6.4
207.11700	22.5
207.13779	7.9
208.12427	13.2
209.13307	30.4
209.15266	3.4
210.10487	4.2
210.14008	6.6
211.11224	7.7
211.14818	26.7
213.12793	15.6
213.16379	9.0
215.14323	11.9
217.10205	4.9
217.15881	5.6
218.10886	3.9
218.16675	4.9
219.11690	6.8
220.12459	6.8
221.13255	17.6
221.15390	35.8
222.13997	6.3
223.14838	24.7
224.15540	3.0
225.12764	5.4
225.16304	12.8
227.14301	10.2
227.17938	3.3
229.15822	5.9
231.11639	4.7
233.13196	10.9
233.15379	28.6
234.13953	5.1
234.16113	9.2
235.14798	14.4
236.15533	3.2
237.12698	4.4
237.16692	13.6
239.14429	4.6
239.17940	3.7
241.15833	4.5
243.17741	2.8
245.13245	6.6
247.14801	9.2
247.17076	4.6
249.16463	8.8
249.30716	2.8
251.17892	8.2
253.15897	6.7
255.17418	38.9
259.14743	6.7
261.16434	8.3
263.17905	8.1
265.19501	5.2
267.17474	4.5
268.18259	4.4
269.19055	6.1
270.19809	7.3
273.18509	9.5
274.17023	3.4
275.17801	5.4
276.18817	2.6
277.15967	3.1
277.19388	4.2
279.17545	3.2
281.18945	10.2
282.19852	3.4
283.20557	3.2
285.18820	4.9
286.19308	5.0
287.20166	5.5
289.19714	4.3
291.17444	3.1
294.19965	3.5
295.20447	5.1
299.19925	10.2
303.19461	4.7
309.22131	2.7
311.19849	3.1
313.21542	6.7
319.20593	3.4
325.21530	3.3
329.22556	3.1
347.23660	6.4
349.25116	3.1
352.24100	12.7
365.24661	9.1
383.25690	10.1
505.32828	3.6
508.34781	3.4
520.35352	6.9
567.38251	3.4
600.41266	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
53.07759	3.8
55.05514	12.1
57.07074	12.8
59.05000	6.4
67.05508	27.9
69.03426	14.8
69.07063	14.6
69.20432	12.5
69.20857	20.1
77.03903	4.4
79.05492	29.5
81.07060	35.1
83.04981	17.3
83.08600	8.6
85.06553	8.1
86.61861	3.3
89.05971	3.4
89.18156	3.5
91.05475	55.8
91.83562	3.1
93.07046	60.8
95.04974	17.5
95.08612	34.0
97.06541	13.1
100.72398	3.0
103.05476	5.0
105.07034	100.0
107.04935	6.1
107.08602	60.2
109.06528	20.8
109.10162	18.5
111.08065	8.1
115.05466	9.4
117.07028	18.7
119.04992	3.5
119.08582	78.2
120.09359	5.4
121.06497	16.7
121.10139	46.3
123.08096	23.0
123.11726	5.1
125.05994	9.8
125.09649	8.7
128.06239	17.0
129.07008	28.9
129.37088	3.7
130.07797	10.4
131.08569	38.5
132.09360	3.8
133.06500	12.0
133.10138	40.5
134.87283	4.1
135.08090	30.0
135.11691	12.1
137.09590	17.1
139.07555	9.6
141.06990	12.3
142.07765	30.9
143.08554	52.0
144.09325	10.5
145.06546	4.2
145.10129	73.2
147.08032	40.2
147.11678	18.8
149.09601	17.0
151.07559	19.0
153.06960	7.0
153.74550	3.4
154.07820	6.0
155.08554	19.1
156.09361	22.3
157.10139	90.8
157.59335	4.0
158.10915	9.5
159.08061	16.4
159.11719	42.0
160.08856	6.1
161.09615	25.6
161.13280	10.7
163.11163	21.4
165.09099	45.2
166.07799	5.8
167.08571	9.2
167.10695	13.4
168.09357	11.2
169.10136	26.7
170.10913	12.9
171.08087	6.1
171.11696	36.4
172.12439	9.3
173.09634	15.4
173.13252	12.9
174.10422	4.2
175.11133	27.4
176.11885	7.3
177.09143	6.0
177.12842	6.4
179.08580	11.1
179.10645	10.5
180.09328	10.6
181.10120	16.5
181.12231	19.3
182.10928	8.7
183.11673	23.2
184.12457	6.1
185.09651	5.9
185.13307	23.3
187.11174	14.0
187.14809	7.3
189.12787	13.6
190.13538	15.3
191.10588	5.4
191.14238	4.6
193.10092	17.6
193.12302	13.1
194.10938	11.4
195.11688	27.4
195.13419	5.2
196.12457	7.3
197.09549	4.9
197.13313	23.2
199.11188	10.0
199.14897	8.0
201.12717	11.8
203.14352	21.8
206.10934	6.5
207.11731	23.0
207.13824	22.4
208.12477	9.6
208.14539	8.7
209.13297	21.6
209.15082	4.5
211.11089	8.1
211.14804	11.6
213.12735	9.8
213.16200	4.5
215.14381	8.1
218.16621	4.3
219.11780	7.8
219.13763	5.3
221.13242	18.0
221.15344	91.9
222.15884	4.8
223.11166	4.2
223.14809	9.8
225.12733	6.3
225.16400	13.0
227.14261	6.0
231.11725	7.4
233.13164	9.0
233.15411	20.0
234.16121	11.5
235.14822	10.8
237.14616	24.9
241.16086	4.1
245.13269	6.8
246.14038	4.8
247.14757	4.3
247.16957	16.1
248.14125	8.0
249.16438	7.4
251.14139	6.3
253.15883	8.4
255.17476	16.8
259.17105	6.8
260.15634	3.8
261.16434	8.2
267.17484	4.5
270.19925	6.2
271.16962	7.6
273.12817	3.9
274.19214	11.1
279.17392	8.6
281.19028	5.4
285.18542	10.8
286.19348	19.3
287.20139	8.0
289.19431	6.4
291.20615	3.9
294.19717	7.4
295.20602	5.6
297.18655	7.6
297.32993	3.7
299.20145	11.6
303.19644	35.3
307.20447	3.7
311.20184	8.2
312.20898	10.2
313.21585	12.8
325.21606	30.6
337.21576	8.5
347.23969	4.8
352.23947	61.2
365.24771	40.6
377.24622	5.8
378.25330	4.6
383.25809	5.4
439.28214	3.7
502.34564	7.6
503.35376	4.3
507.34671	30.6
518.33466	3.5
520.35480	27.9
567.37701	4.3
582.40417	7.5
583.41473	7.6
585.39276	6.5
600.41449	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	602.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23051	2.8
59.63830	2.5
64.88538	3.2
67.05486	3.7
69.07065	3.7
70.06602	5.9
71.48451	4.0
76.62778	2.5
79.05494	7.6
81.07075	7.4
84.08156	2.8
85.02906	3.2
91.05482	5.3
93.07034	5.1
95.04948	4.7
95.08628	4.7
99.40756	2.5
103.05495	3.7
105.07027	14.2
106.60455	2.8
107.04971	60.2
108.05279	3.0
109.06536	3.2
115.05462	4.0
119.08542	4.8
122.03644	5.1
123.04433	10.7
131.04892	5.3
133.06500	8.4
137.05984	68.7
140.35426	3.0
140.37770	2.6
146.03654	6.5
149.02328	3.5
161.05981	73.3
163.07500	4.9
165.65022	2.4
181.44701	2.9
183.71465	3.0
189.12613	3.4
200.20099	4.5
220.34157	2.9
235.13293	4.6
241.08665	16.6
242.09415	2.8
247.07516	3.1
264.07742	3.3
279.10178	18.2
311.10626	11.8
312.11295	9.1
327.10107	6.7
328.10959	11.2
339.10065	7.3
340.11041	3.9
343.13135	13.6
355.09610	4.6
356.10342	6.8
371.12805	100.0
372.13361	8.7
388.13226	3.4
403.15372	94.0
602.18665	9.2
602.29364	8.4
603.20300	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
70.06593	0.9
70.77375	1.6
73.86305	0.5
78.04716	2.6
79.05502	3.2
82.58736	0.5
85.02902	1.5
86.09699	1.3
91.05476	1.5
93.07025	0.6
95.05016	0.8
97.02869	0.7
102.79038	0.5
103.05457	2.6
105.07024	4.9
106.04152	1.3
107.04953	9.5
113.39009	0.6
115.05457	1.4
117.07025	0.9
121.06500	1.9
123.04453	5.2
124.05202	1.7
125.06041	0.8
125.41837	0.5
129.06940	1.0
130.94337	0.5
131.04936	6.8
131.08530	0.9
133.06508	4.9
135.08052	1.2
137.06006	2.2
144.05696	1.1
145.06497	2.9
146.06282	0.5
147.04395	1.4
147.08083	0.6
151.03906	0.9
151.07547	3.3
152.04678	2.3
158.07315	1.2
159.08031	1.0
161.06007	6.9
162.07616	0.5
163.07562	11.8
165.09111	0.8
166.06276	0.7
167.07045	100.0
168.09579	0.6
173.06067	1.1
173.09639	1.2
175.07574	1.6
177.09125	2.3
179.07040	2.1
181.08676	3.8
187.07579	3.0
192.07829	0.8
193.08620	14.2
201.09187	1.8
204.84561	0.5
205.08742	0.7
219.10141	2.8
221.11742	0.9
233.11761	2.8
234.27586	0.6
237.11241	2.4
251.12971	1.1
263.10657	1.2
291.10300	0.9
295.13208	0.7
323.12729	1.7
355.15402	10.5
363.90201	0.5
387.18051	10.1
405.19122	22.1
440.07288	0.7
513.73285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1835
Annotation	Dahuribirin F
Peak:m/z	Relative Intensity
67.05499	2.6
69.07086	1.4
69.82890	3.1
69.83295	5.9
79.05493	2.9
81.03414	2.7
81.07044	2.7
85.02897	2.5
91.05477	2.1
93.07082	1.8
95.08603	2.9
97.02915	2.1
100.57388	1.3
103.05441	2.9
104.71070	1.5
105.07037	1.5
107.04963	36.3
109.02904	2.4
109.10146	1.6
119.08588	3.1
121.10166	1.9
131.04958	5.2
133.06497	1.6
145.10114	1.8
147.04417	2.3
147.11636	1.6
149.09746	1.6
165.09151	4.0
189.12778	1.4
194.61627	1.3
205.91647	1.7
229.04729	3.3
335.08942	21.0
335.12579	2.0
456.76794	1.6
497.14172	21.7
603.18317	100.0
604.18073	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03326	1.9
53.03953	3.1
54.71654	1.9
55.05514	4.3
67.05499	5.6
69.03445	3.1
69.07071	5.2
69.29759	1.9
70.06585	2.9
71.21908	3.2
79.05489	7.4
81.07056	9.2
83.04958	2.9
83.08616	2.5
85.02887	2.7
86.06063	5.7
91.05496	3.4
93.07056	12.8
94.91886	1.7
95.05008	4.1
95.08608	9.9
97.06520	4.3
99.04488	3.0
100.37239	1.7
103.05489	5.8
105.07014	7.2
107.04963	100.0
107.08604	9.5
108.05309	2.4
109.06519	8.3
109.10131	2.6
111.08113	2.6
116.10751	5.2
119.08604	3.8
121.06509	15.4
121.10168	4.3
121.36675	1.8
123.04418	2.5
125.05999	2.3
127.07576	3.1
131.04944	10.4
131.08669	2.8
132.05313	3.9
133.10127	4.8
134.49115	2.0
135.04427	2.1
135.08034	5.4
137.06023	3.4
139.07516	3.4
142.08629	3.0
143.06976	2.6
143.08618	4.1
145.10196	4.5
147.11685	13.8
153.09186	2.0
157.10126	5.9
161.13243	3.9
165.09087	2.9
166.09554	2.3
171.11714	5.4
173.09576	3.3
175.11201	5.9
189.12733	10.7
193.12262	6.3
199.11128	8.9
207.13786	5.8
212.16428	9.5
213.09190	3.0
217.12228	24.6
235.13268	40.9
241.08615	2.1
253.14359	65.4
255.10124	7.5
256.10471	4.1
271.15289	9.7
274.09879	2.2
339.14355	6.3
345.08148	1.8
357.15448	18.2
374.21530	5.2
375.16385	5.3
375.94342	2.1
442.31958	2.5
604.21991	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	604.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
55.05511	6.2
57.03431	1.4
60.07663	0.8
67.05507	4.2
69.03426	7.1
69.06728	1.5
69.07070	16.8
70.06597	3.5
70.81239	1.8
71.04952	0.8
72.08145	4.0
73.02901	1.6
73.06544	1.5
76.09877	0.8
79.05505	4.2
79.05919	0.9
80.97301	0.8
81.03418	3.2
81.07065	8.3
83.04994	1.8
83.08626	5.8
84.08154	2.3
85.02901	5.6
86.06073	30.9
87.04483	0.9
91.05482	3.4
93.07045	7.3
95.04966	1.6
95.08615	5.3
96.08135	5.6
97.02904	3.8
97.06541	4.9
97.10152	1.6
98.06080	1.1
98.09699	11.5
99.04483	2.0
99.08109	1.2
105.07047	3.3
107.04961	11.2
107.08591	4.1
108.05280	0.9
108.08127	2.7
109.02895	2.7
109.10156	4.2
111.08106	1.8
114.09166	1.3
115.07582	6.3
116.10741	67.1
119.08588	2.7
121.06516	1.0
121.10175	1.9
122.09689	3.0
123.08084	1.1
123.11660	1.5
124.07596	2.0
125.09605	1.6
126.09171	1.7
127.03905	4.3
131.04942	4.0
131.08614	1.4
133.10153	1.8
135.11696	1.8
140.10712	1.7
141.09171	0.9
142.01451	0.8
142.08658	7.4
145.10176	1.1
147.11676	1.3
149.13301	5.2
159.11661	1.4
165.09088	1.6
166.15913	1.0
167.14391	2.1
173.09637	1.1
173.13271	0.9
197.09673	1.0
201.09184	0.9
212.16463	25.7
214.18109	1.5
230.17543	6.1
231.15872	4.3
238.18054	4.1
239.16493	1.4
249.92285	0.9
256.19016	8.2
257.17410	4.8
292.22659	2.4
310.23749	13.1
328.24841	100.0
343.12881	2.4
344.24356	1.9
374.21677	5.6
392.22781	3.7
424.30594	4.9
442.13828	1.0
442.31754	8.6
466.19873	1.0
469.63245	0.9
490.30115	16.6
586.35583	3.5
604.36414	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	604.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
55.05511	6.2
57.03431	1.4
60.07663	0.8
67.05507	4.2
69.03426	7.1
69.06728	1.5
69.07070	16.8
70.06597	3.5
70.81239	1.8
71.04952	0.8
72.08145	4.0
73.02901	1.6
73.06544	1.5
76.09877	0.8
79.05505	4.2
79.05919	0.9
80.97301	0.8
81.03418	3.2
81.07065	8.3
83.04994	1.8
83.08626	5.8
84.08154	2.3
85.02901	5.6
86.06073	30.9
87.04483	0.9
91.05482	3.4
93.07045	7.3
95.04966	1.6
95.08615	5.3
96.08135	5.6
97.02904	3.8
97.06541	4.9
97.10152	1.6
98.06080	1.1
98.09699	11.5
99.04483	2.0
99.08109	1.2
105.07047	3.3
107.04961	11.2
107.08591	4.1
108.05280	0.9
108.08127	2.7
109.02895	2.7
109.10156	4.2
111.08106	1.8
114.09166	1.3
115.07582	6.3
116.10741	67.1
119.08588	2.7
121.06516	1.0
121.10175	1.9
122.09689	3.0
123.08084	1.1
123.11660	1.5
124.07596	2.0
125.09605	1.6
126.09171	1.7
127.03905	4.3
131.04942	4.0
131.08614	1.4
133.10153	1.8
135.11696	1.8
140.10712	1.7
141.09171	0.9
142.01451	0.8
142.08658	7.4
145.10176	1.1
147.11676	1.3
149.13301	5.2
159.11661	1.4
165.09088	1.6
166.15913	1.0
167.14391	2.1
173.09637	1.1
173.13271	0.9
197.09673	1.0
201.09184	0.9
212.16463	25.7
214.18109	1.5
230.17543	6.1
231.15872	4.3
238.18054	4.1
239.16493	1.4
249.92285	0.9
256.19016	8.2
257.17410	4.8
292.22659	2.4
310.23749	13.1
328.24841	100.0
343.12881	2.4
344.24356	1.9
374.21677	5.6
392.22781	3.7
424.30594	4.9
442.13828	1.0
442.31754	8.6
466.19873	1.0
469.63245	0.9
490.30115	16.6
586.35583	3.5
604.36414	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	604.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82561	1.9
55.01872	9.6
55.05516	28.6
57.01867	2.2
57.07067	3.3
58.28341	1.9
63.98233	1.7
65.03954	1.8
67.05502	32.3
69.03442	3.0
69.07074	15.0
69.84017	10.0
70.80682	1.8
70.86125	1.8
71.04972	2.4
71.08628	1.9
79.05499	38.8
81.03432	5.6
81.07059	66.2
83.05001	12.2
83.08631	16.1
85.06551	3.2
85.10197	3.1
86.37762	1.8
86.63918	2.2
87.04519	2.6
91.05478	26.0
93.07053	30.4
95.04974	19.0
95.08617	19.4
97.06538	4.8
97.10172	23.4
97.69969	1.8
98.20779	4.3
105.03400	2.2
105.07053	18.5
107.04958	6.4
107.08591	17.7
109.06523	7.6
109.10141	14.4
109.60517	1.9
111.04474	11.0
111.08079	5.3
117.07034	11.4
119.08596	24.6
121.06509	8.7
121.10153	14.2
123.08090	12.2
123.11758	4.1
125.09644	17.3
129.07022	3.7
131.08565	16.0
133.06505	2.1
133.10127	9.5
135.08040	9.3
135.11725	7.4
139.11212	3.1
143.08548	4.4
145.06531	2.0
145.10138	16.1
147.08070	10.5
147.11699	4.1
149.09666	5.3
153.09135	8.2
153.12770	3.1
157.10152	5.2
159.08069	2.8
159.11691	6.7
161.09627	6.2
163.11218	10.3
165.09119	6.2
171.10243	3.0
171.11644	4.7
173.09679	3.3
173.13280	2.6
175.11197	3.1
177.12784	6.7
181.12239	4.6
189.11296	15.1
191.10699	8.6
195.11641	2.2
223.13293	8.4
227.12845	7.8
227.18004	2.3
245.18944	2.3
249.14752	4.3
255.17456	3.8
261.22092	3.2
263.16498	4.1
273.18539	23.9
274.18878	4.3
275.20190	3.3
276.96701	2.3
291.19553	100.0
292.19864	6.3
297.29147	2.1
309.20743	2.4
313.27283	3.8
569.41986	2.7
604.46118	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	605.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.8
58.99823	1.1
63.80434	0.7
66.77610	0.7
69.03384	3.0
70.53268	1.8
70.53668	1.3
77.00890	0.7
81.03385	1.2
82.99830	2.4
84.08102	1.0
84.95959	0.6
85.02902	5.0
94.99787	1.2
97.02849	3.1
98.97584	20.0
101.00883	19.2
103.02420	1.3
107.04955	13.8
108.05240	1.3
110.97565	4.2
113.00244	0.7
113.00861	7.6
113.04495	1.0
115.02438	4.4
116.98625	6.3
119.01922	25.4
122.61207	0.7
124.99119	1.0
125.00840	1.4
127.02358	2.8
127.03851	1.5
128.98547	1.2
129.03943	2.6
131.00259	0.9
131.01907	18.8
131.05545	8.2
133.03473	4.3
136.06175	1.4
137.00772	2.1
137.02902	1.2
137.62691	0.7
139.02426	1.0
143.01901	77.0
144.02039	1.0
145.03423	6.1
145.04645	1.1
145.04819	1.0
146.99643	0.8
147.01382	1.0
147.04285	1.5
149.02951	1.2
149.06593	6.7
155.00653	1.4
155.01894	26.2
155.05534	3.4
156.02632	2.4
157.03487	3.8
158.99670	9.1
159.05067	3.6
161.02963	64.8
162.03104	1.2
167.05495	2.1
169.03555	1.4
170.99573	1.6
171.03316	0.9
171.04988	2.8
173.02966	18.5
173.06589	26.5
173.51256	0.8
175.02681	0.8
175.04532	1.2
177.00746	5.3
177.06064	2.9
184.04536	1.4
185.03006	4.1
185.06596	30.0
187.08162	5.8
189.00734	1.1
189.04401	1.5
191.07616	5.9
197.02963	0.9
197.06599	2.8
199.04549	1.7
199.08081	2.3
201.00627	2.1
201.06053	1.7
203.04028	9.0
203.07643	12.1
205.09137	1.3
207.05029	1.6
209.02992	1.3
209.06522	1.8
215.07625	13.5
217.03705	1.6
217.09160	1.2
218.99820	1.0
219.01755	10.2
221.05064	18.1
221.99275	0.8
223.04498	4.5
225.06047	1.2
227.07616	3.0
229.03566	1.1
231.05287	1.2
233.08643	3.1
235.04559	5.2
237.02776	7.5
237.06036	2.6
241.05716	1.1
245.04987	1.7
245.08719	0.9
247.04544	4.1
251.03972	3.2
257.08713	6.5
261.02765	1.7
263.04044	4.4
265.05655	3.9
267.03494	1.1
269.04825	0.7
275.04196	3.5
275.09756	35.6
276.10165	1.2
277.05475	1.0
279.03613	1.2
281.05060	4.1
283.06659	1.4
287.05319	2.6
291.07471	3.2
291.97226	0.8
293.05173	9.1
293.10803	100.0
294.11053	1.7
305.05191	1.1
309.08530	7.6
311.06091	2.1
316.12411	2.6
317.05341	1.8
323.06335	0.9
327.05280	6.2
335.06235	4.2
347.11972	0.9
353.07040	5.8
354.07025	5.8
371.08420	3.9
385.09161	0.7
389.09241	2.3
425.12881	2.3
437.15100	8.6
443.14185	3.7
569.17279	1.6
571.41760	0.7
587.18103	1.6
605.19287	74.2
606.19714	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	606.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.71559	0.8
56.96576	10.2
57.03420	1.1
69.03445	6.4
73.02898	1.3
81.03434	1.8
84.08116	1.5
84.96029	2.8
85.02525	1.0
85.02912	12.0
86.03258	1.1
88.54711	1.0
97.02895	6.8
98.97591	76.8
101.00891	6.1
102.00974	3.1
107.04955	17.2
108.05283	2.0
109.02882	2.1
110.97572	7.3
112.99148	1.1
113.00867	1.1
114.00959	1.1
116.97820	1.9
116.98615	22.1
119.01938	6.6
120.02030	3.4
124.99119	1.3
127.00677	1.0
127.03905	3.9
128.98613	6.1
129.02252	1.1
129.03911	1.0
131.00160	1.7
131.01918	4.6
131.05513	1.4
132.02022	3.3
132.05678	1.4
132.10266	1.4
134.99644	2.8
136.06178	1.6
143.00206	2.2
143.01912	19.7
144.02019	11.8
145.01701	1.8
145.03448	1.6
145.04932	2.7
146.03490	1.2
146.99663	1.6
147.03299	2.2
147.04376	2.7
149.06578	1.3
150.06734	1.0
152.05740	1.2
152.98581	1.2
155.01917	7.5
156.02034	4.8
157.03467	1.7
158.99677	35.8
159.05070	1.3
161.02950	15.3
162.03079	12.2
163.02742	1.8
170.99715	4.7
171.03276	5.3
171.04851	1.6
173.02968	3.8
173.06563	5.6
174.03156	3.1
174.06783	4.2
175.02765	2.3
177.00716	18.8
182.99684	1.3
185.05153	1.0
185.06581	5.1
186.06743	5.3
187.07790	1.0
188.08180	1.6
189.00676	4.1
189.04367	6.9
191.07549	1.2
201.00699	2.5
203.03981	1.3
203.07674	2.4
204.07796	1.3
207.05321	1.6
215.07652	3.0
216.07832	3.0
219.01779	17.1
221.05121	4.1
222.05238	3.7
223.04744	1.1
231.05357	2.3
233.45653	1.1
236.04596	2.0
237.02823	12.9
243.05229	6.1
245.05023	1.8
247.04602	1.2
257.08707	1.4
258.08990	1.5
261.02664	2.3
275.09787	5.9
276.09930	7.6
282.05334	1.4
287.05524	1.5
291.07483	11.5
293.05075	2.2
293.10818	18.5
294.05591	1.3
294.11023	22.6
295.10907	1.2
301.07584	1.8
302.08380	1.9
309.08560	27.5
317.05518	1.0
354.07077	100.0
383.11035	1.6
385.09766	4.8
385.59592	1.4
395.06448	2.6
438.15186	3.1
466.12396	5.8
485.09579	2.0
606.19611	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03961	1.4
55.01876	0.3
60.05659	0.3
65.89435	0.2
67.22975	0.2
69.03416	0.4
75.34137	0.2
77.03938	0.4
79.05506	1.5
80.57191	0.3
81.03400	0.4
85.02908	0.3
85.06576	0.3
95.04966	1.1
96.38963	0.3
97.02894	1.3
97.09193	0.3
103.05470	9.5
105.04509	0.7
107.04957	100.0
108.05286	0.9
128.98268	0.3
131.04930	39.7
132.05243	0.4
149.05966	0.8
170.28177	0.3
243.14742	0.2
246.02144	0.2
249.25443	0.2
293.10202	2.7
322.60205	0.3
526.44788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
54.42912	1.2
66.10004	1.2
69.07070	1.5
69.49035	1.2
70.11199	4.5
96.93404	1.2
97.02885	2.8
103.05483	15.1
105.06992	1.6
107.04963	100.0
131.04938	80.4
149.05988	4.4
161.50092	1.2
166.81042	1.1
187.84247	1.1
201.20287	1.2
285.83884	1.3
293.10184	14.0
439.98148	1.4
527.97992	1.4
537.02734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.2
51.02382	0.3
51.10460	0.2
53.03948	1.0
57.39205	0.2
57.88189	0.2
69.03426	0.8
71.43229	0.4
75.21395	0.2
77.03916	0.4
79.05490	0.7
81.03419	1.1
85.02892	0.9
85.06524	0.2
95.04961	0.7
97.02892	0.8
102.04668	0.3
103.05467	22.9
104.05828	0.3
105.04518	0.5
107.04957	30.5
108.05303	0.2
109.02908	0.4
127.03932	0.5
131.04930	100.0
132.05299	0.7
149.04790	0.4
149.05988	6.2
181.52188	0.2
201.05376	0.2
209.09903	0.2
211.73390	0.2
275.09109	0.6
293.10205	7.2
505.51920	0.2
614.38092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
55.05512	11.1
57.07063	8.1
59.05005	11.3
67.05511	31.2
69.03432	21.8
69.06733	5.3
69.07073	48.1
70.06577	5.3
71.04977	7.6
71.48022	6.9
79.05479	18.2
80.22776	5.2
81.03426	23.7
81.07062	78.6
83.08606	10.2
85.02917	31.1
85.06520	8.1
87.00816	9.5
91.05484	18.7
93.07054	56.5
95.04983	5.4
95.08614	66.0
97.02882	15.6
97.06522	13.0
99.04446	6.5
105.01861	5.8
105.07033	28.1
107.04954	23.3
107.08592	39.0
109.02877	18.0
109.06521	8.0
109.10168	34.6
111.11699	12.4
119.08581	25.7
121.10159	45.7
123.08049	5.4
123.11707	39.8
127.03930	14.3
129.70764	5.4
131.08592	9.0
131.77756	4.6
133.10120	20.7
135.08049	6.7
135.11736	27.5
137.05931	6.6
137.13261	6.4
139.11195	10.8
145.04990	6.5
145.10126	12.6
147.11690	20.4
149.13243	22.2
151.11166	9.5
153.12794	5.9
159.02919	9.0
159.11633	10.2
163.11176	8.8
163.14920	7.0
173.13228	12.4
175.14742	5.5
177.12749	6.5
178.38016	5.2
181.12312	6.2
189.16327	6.2
199.14828	4.8
231.05013	5.9
264.66168	4.5
269.22830	5.9
287.23636	25.1
305.24777	100.0
317.53226	5.1
323.25879	49.6
371.47653	4.8
498.40616	5.5
599.10883	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	606.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
55.01859	5.4
55.05512	22.9
57.07068	3.6
60.97618	3.5
62.76115	3.6
63.49766	3.4
65.03909	3.8
67.05508	68.0
69.07073	25.7
69.81474	3.9
71.48812	3.6
79.05489	41.4
81.07059	100.0
83.04968	5.6
83.08626	18.6
86.43243	3.6
91.05473	30.7
93.07045	51.0
94.39338	3.4
95.04972	9.5
95.08606	48.6
97.06522	9.4
97.10182	5.3
99.08080	4.3
102.26421	4.2
105.07016	26.0
107.05022	8.8
107.08597	30.7
109.06476	6.4
109.10130	15.3
111.08104	5.4
117.07031	15.5
119.08578	18.2
121.10162	17.4
123.11700	8.8
125.09608	5.2
131.08592	12.8
133.10164	29.5
135.11703	16.4
145.10129	7.6
147.11699	16.6
149.09573	7.3
149.13271	31.2
151.11169	7.5
159.11678	23.1
163.11185	7.9
173.13249	4.4
177.12772	11.9
179.14499	3.9
195.12033	5.5
195.13828	88.5
197.13344	3.7
211.32785	4.2
213.14861	53.6
239.17981	6.4
257.19086	13.0
275.20084	94.0
279.23062	4.7
293.21024	25.0
606.28101	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.76991	0.5
69.90388	2.5
77.74924	0.4
77.87101	0.5
81.07080	0.7
209.25731	0.4
312.15561	0.5
343.46570	0.5
374.15500	0.6
375.16171	1.0
387.15958	0.5
388.16852	1.3
389.17773	2.8
390.18466	1.0
391.19165	0.9
401.17929	0.7
402.18484	1.2
403.19562	4.1
404.19800	2.4
405.20822	4.0
415.20053	0.5
416.15762	1.0
417.16257	4.1
417.21439	1.9
418.17358	1.1
419.22482	5.5
420.22888	1.4
429.17145	0.5
431.18207	7.0
431.23718	0.4
432.19003	3.0
433.19977	2.7
443.18378	0.5
444.19449	0.6
445.20090	4.9
446.21033	7.6
447.21686	8.9
447.26907	0.6
448.22693	0.8
459.21857	1.9
460.18442	0.7
461.19791	1.9
462.24390	0.7
463.20944	0.7
473.19095	0.8
474.20300	5.6
475.20850	4.9
477.23309	0.7
478.23599	0.8
487.21234	1.3
490.23862	0.9
491.20978	2.6
501.22748	1.0
504.21655	0.6
505.22424	1.2
506.22900	0.6
519.24091	14.2
547.23395	13.5
548.24042	0.9
579.26001	5.2
580.26416	0.5
607.25519	100.0
608.25677	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	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
63.51511	0.6
67.82091	0.6
69.91499	2.0
69.91888	1.2
98.20865	0.7
99.58298	0.6
121.48333	0.6
128.15854	0.5
135.97472	0.6
388.16901	0.7
389.17554	1.0
402.18399	0.8
403.19409	2.0
404.20078	1.1
405.20886	1.4
416.20016	1.0
417.20822	2.4
418.21613	0.8
419.22382	3.3
430.17661	0.9
431.18146	5.9
431.23914	0.9
432.18912	1.4
433.24051	7.2
445.19974	7.7
446.20871	3.5
447.21881	2.6
459.21979	2.4
460.22610	9.3
461.23431	8.8
473.23364	2.0
474.23767	0.6
487.25146	1.8
491.24359	1.3
505.22113	3.7
519.23572	0.9
547.27118	23.8
563.23236	0.8
575.26404	1.8
607.29175	100.0
608.29657	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	607.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05529	0.4
69.44201	3.6
69.93023	0.4
81.07057	0.8
91.05463	0.4
93.07048	0.6
98.20766	0.9
107.08623	0.6
109.10181	0.6
119.08568	0.6
121.10172	0.7
146.05989	0.4
159.11626	0.5
364.50290	0.5
389.17648	1.0
401.17697	0.9
402.18564	1.4
403.18976	3.0
404.20029	1.1
405.20865	1.3
415.19592	0.8
416.20325	1.0
417.16132	0.8
417.21414	3.3
418.21661	2.3
419.22449	3.2
430.17365	0.7
430.22302	0.8
431.18198	7.5
432.19495	2.0
433.19205	0.7
433.24075	9.5
434.24823	0.8
444.19391	0.7
445.19800	8.4
446.20935	4.1
447.21716	3.8
459.21307	3.7
460.22495	12.8
461.23373	13.5
473.23630	4.1
474.24603	0.9
477.22491	0.8
487.25067	1.6
488.26205	0.5
491.24680	0.8
492.24921	0.6
505.22351	2.0
519.23096	0.9
519.27612	1.5
532.24829	0.7
547.27087	45.7
548.27411	1.5
575.26624	1.1
578.25140	0.5
579.29517	1.0
607.29156	100.0
608.29211	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	607.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05511	13.8
57.07067	6.6
61.90712	1.5
65.03936	2.1
67.05507	28.1
67.55025	1.6
69.07063	23.3
70.68463	1.8
70.88756	5.1
71.08647	2.3
77.03913	1.9
78.32262	1.3
78.35967	2.1
79.05487	23.1
81.07059	72.8
81.07539	3.8
83.08617	10.3
83.78775	1.7
91.05475	20.6
93.07047	44.7
95.04981	2.1
95.08609	58.4
96.69001	1.6
97.10179	4.3
105.07030	48.1
105.07694	3.6
107.08592	37.8
109.10159	38.9
111.11732	2.8
117.07028	5.8
119.08582	49.2
121.10143	37.9
121.10941	2.8
123.11703	17.1
128.06276	2.1
129.07014	3.9
130.07813	1.9
131.08560	20.9
133.10133	28.3
135.11700	22.0
137.13278	7.0
142.07814	3.5
143.08568	12.0
144.09312	2.6
145.10120	25.9
147.11681	25.3
149.13258	18.0
151.14755	1.8
155.08557	5.0
156.09367	6.4
157.10139	15.6
158.10956	2.5
159.11697	27.9
159.12901	2.5
161.13257	24.5
163.14835	9.7
167.08505	2.1
169.10114	9.2
170.10902	3.0
171.11679	15.2
173.13242	16.2
175.14830	11.3
177.16364	2.6
181.10176	3.1
183.11720	9.8
185.13237	14.9
187.14780	11.6
189.16400	8.3
191.17914	2.7
195.11728	5.8
197.11772	1.7
197.13252	10.8
198.13866	2.1
199.14844	12.4
201.16412	10.7
203.18011	5.2
209.13315	4.0
211.14816	9.4
213.16368	9.1
215.17937	9.6
217.19609	3.2
223.14850	5.3
225.16389	8.7
227.17975	9.6
229.19595	5.1
235.14850	2.6
237.16354	3.8
239.18042	7.2
241.19598	5.0
243.21095	4.2
249.16533	2.0
251.17940	4.0
253.19531	4.2
255.21231	5.4
256.69797	1.7
257.22714	2.2
263.18030	2.3
265.19608	3.0
267.21252	5.0
269.22656	2.6
279.20987	2.7
281.22705	5.7
283.24286	3.3
291.21252	2.7
293.22772	2.4
295.24408	3.1
307.24155	2.1
309.25903	2.7
319.24365	1.8
321.25806	2.6
323.27441	3.6
333.25662	2.5
335.27313	3.8
347.27380	2.2
365.32336	1.6
431.36942	2.2
457.78275	2.2
551.46436	3.1
589.47894	2.5
607.52399	100.0
608.52747	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	607.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00428	0.6
55.05516	4.0
56.13393	0.6
57.07076	1.6
67.05512	7.9
69.07073	6.2
70.33349	0.6
70.79208	1.3
71.08640	0.8
73.48807	0.6
78.89040	0.6
79.05502	5.8
81.07063	19.8
83.08624	3.7
84.55997	0.6
89.03944	1.2
91.05489	5.7
93.07056	11.2
94.84777	0.5
95.04992	1.0
95.08615	16.4
97.10203	1.8
105.07037	13.1
107.08603	15.2
109.10175	11.7
117.03378	2.1
117.07053	1.8
119.08582	13.5
119.09367	1.0
121.10155	11.1
123.11724	5.5
129.06998	1.5
130.07745	1.0
131.08597	5.3
133.10139	8.6
135.11696	6.5
137.13266	2.0
142.07788	1.3
143.08583	4.0
145.02847	6.6
145.10141	10.0
147.11685	7.2
149.06021	1.3
149.13264	5.8
155.08600	1.0
156.09433	1.1
157.10176	4.9
159.11710	8.7
161.13278	6.2
163.14856	2.7
169.10135	3.3
171.11720	5.0
173.13281	7.2
175.14839	5.7
177.05502	12.1
177.16412	1.3
178.18069	0.7
181.10216	1.0
183.11710	2.9
185.13257	5.5
187.14796	3.9
189.16428	2.4
191.17860	0.8
195.11797	1.6
196.12514	0.7
197.13358	2.5
199.14853	3.5
201.16483	3.7
201.32722	0.6
203.17992	2.7
209.13274	2.4
211.14865	2.6
213.16437	2.7
215.18030	2.2
217.19489	1.4
221.13242	0.8
223.14967	1.5
225.16486	2.7
227.17992	1.9
229.19530	2.6
237.16534	1.3
239.17982	1.6
241.19577	1.9
243.21146	1.2
249.16566	0.8
251.18088	1.2
251.85269	0.6
253.19556	1.7
255.21216	1.4
257.22757	1.8
263.17978	0.9
265.19434	1.1
267.21124	1.4
269.22781	1.3
281.22736	1.2
295.24335	0.8
305.22836	0.7
307.24039	0.7
309.25589	0.7
321.25964	0.7
333.25848	0.7
337.29276	0.8
347.27701	0.8
363.30469	0.8
375.31064	0.8
389.17706	0.9
389.32742	0.7
391.18451	0.6
402.18643	1.4
403.19226	3.2
404.20016	1.4
405.20648	1.3
415.19308	1.1
417.21335	4.0
418.21490	2.6
419.22339	2.9
430.17438	0.9
431.18164	6.3
431.23886	1.0
432.19000	1.6
433.24301	7.0
434.24496	1.0
445.19769	8.8
446.20639	3.9
447.21899	3.7
449.22986	0.8
456.62659	0.7
459.21487	4.8
460.22610	13.2
461.23309	13.8
462.23978	1.1
471.40311	0.7
473.23502	3.3
474.23767	1.7
477.22861	0.7
487.25296	1.0
491.25406	0.8
497.41711	0.9
505.22617	2.5
519.23907	1.0
519.27716	1.1
525.44824	0.8
532.24487	0.7
547.27136	27.7
548.27490	2.6
589.49194	0.8
607.29224	100.0
607.52222	33.8
608.29645	13.6
608.52966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05510	8.7
57.07069	5.3
65.03937	1.6
67.05179	1.6
67.05511	18.9
69.07073	16.1
69.23909	1.9
69.24232	9.5
71.08623	2.9
79.05494	12.6
81.07061	49.6
83.08628	7.9
91.05486	14.9
93.07048	28.3
95.08614	40.7
96.32331	1.0
97.10178	3.0
105.07034	26.6
107.08602	28.0
107.09319	1.9
109.10165	27.5
111.11726	1.5
117.03434	1.2
117.07011	3.9
119.08588	28.0
121.10149	24.0
123.11716	10.2
128.06259	1.6
129.07027	3.0
131.08563	11.4
133.10144	16.6
135.11716	14.9
137.13272	3.1
141.06987	1.7
142.07816	2.7
143.08566	7.3
144.09398	1.2
145.02882	2.4
145.10135	19.8
147.11679	15.8
149.13283	11.2
151.14839	1.5
155.08597	4.4
156.09337	2.4
157.10139	13.3
158.10928	1.5
159.11699	19.0
159.12903	1.7
161.13271	12.4
163.14833	7.0
169.10139	6.5
170.10902	1.4
171.11697	12.1
173.13245	12.3
175.14841	9.4
177.05528	4.6
177.16449	4.0
179.08659	1.2
181.10176	2.1
183.11685	6.0
185.13245	6.9
187.14882	8.5
188.89384	1.1
189.16360	4.7
194.11024	1.3
195.11716	3.4
197.13312	5.5
198.13934	1.2
199.14836	7.6
201.16400	7.9
203.17949	4.1
207.11824	1.4
209.13292	4.5
210.14186	1.2
211.14790	6.0
213.16415	6.5
215.18013	5.4
217.19539	2.9
221.13341	1.6
223.14894	2.8
225.16505	4.5
227.17961	4.6
229.19540	2.2
231.21042	1.2
235.14897	1.9
237.16512	2.8
239.17970	3.0
241.19438	5.1
243.21121	2.8
251.17963	2.7
253.19647	3.1
255.21249	2.9
257.22653	2.1
263.17929	2.3
265.19562	2.5
267.21146	3.5
269.22830	2.7
279.21127	2.5
281.22665	3.3
283.24237	2.5
295.24313	1.5
305.22644	1.3
307.24426	1.5
309.25775	1.5
321.25662	1.4
323.27338	1.2
327.08005	1.7
335.27286	1.3
347.27350	1.7
349.28873	1.5
363.30423	1.3
365.31955	1.2
389.32162	1.5
402.18344	1.8
403.19174	4.0
403.33847	1.5
405.21115	1.6
415.33923	1.2
417.16299	1.5
417.20990	3.4
418.21695	2.5
419.22440	3.9
430.17700	2.2
431.18253	9.3
432.18884	1.9
433.23972	9.9
445.19553	10.2
446.20859	6.0
447.21628	5.8
457.38480	1.4
459.21320	5.7
460.22522	13.4
461.23444	15.3
473.23560	3.8
487.25269	1.6
492.25067	1.5
495.26559	1.4
505.22620	3.4
506.72656	1.1
511.42987	1.2
519.27594	1.4
532.24646	1.4
539.46118	1.2
547.27075	38.5
548.27399	4.5
551.46216	1.8
565.47925	1.4
607.29205	100.0
607.52344	70.5
608.29486	12.2
608.52747	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	608.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03949	1.4
69.03435	0.5
69.90923	1.1
70.06590	0.6
72.08166	0.6
77.03927	0.3
79.05497	1.2
81.03428	0.6
85.02904	1.2
86.09676	0.3
87.00832	0.7
88.07654	0.2
95.04964	0.6
96.68913	0.2
97.02902	0.4
98.21440	0.3
105.01872	1.5
105.04507	0.6
107.04958	100.0
108.05270	0.6
109.02908	0.5
117.52841	0.2
127.03914	1.2
149.05963	0.4
154.08635	0.8
196.30853	0.2
212.16522	0.4
215.07040	0.3
231.05042	0.8
249.06146	0.4
304.11844	0.2
305.12070	0.3
316.13834	0.4
322.12823	0.3
340.13919	1.5
515.90289	0.3
535.46576	0.2
604.64929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03943	1.6
55.01871	0.4
55.05508	0.9
55.16116	0.3
67.05510	0.6
67.55650	0.3
69.03429	0.6
69.07050	0.9
69.78019	0.9
69.78425	0.6
70.06587	1.6
72.08152	0.5
79.05493	1.6
81.03394	0.7
81.07054	1.4
81.07478	0.3
82.06588	2.3
83.04973	1.0
84.04518	0.5
84.08160	0.6
85.02916	1.0
86.06075	3.9
86.09696	0.5
91.05474	0.6
93.07064	0.5
95.05002	1.5
95.08627	0.6
96.08121	1.5
97.02940	0.5
98.06045	0.4
98.09697	0.7
99.04457	0.8
101.05933	0.3
105.04530	0.5
105.61860	0.3
107.04960	100.0
108.05302	0.9
108.08119	0.5
109.06561	0.3
110.06057	2.0
110.09694	0.3
111.04441	1.2
116.10760	1.6
119.08565	0.4
122.09697	0.4
123.04389	0.4
124.07593	1.0
126.09147	1.8
127.03981	0.4
135.11748	0.4
142.08652	2.8
151.11208	0.7
154.08635	18.6
166.12346	0.3
166.69252	0.3
167.03593	0.3
169.12248	2.0
172.09697	24.1
173.08174	1.6
173.09604	0.3
186.35948	0.3
194.15462	0.8
212.16470	17.1
244.15523	0.5
279.15939	0.7
322.19958	1.9
334.14987	0.7
340.21191	26.1
341.21512	0.7
440.19281	0.4
446.25671	0.4
480.26028	1.4
502.26370	1.5
608.30682	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
53.03942	1.8
55.01865	1.3
55.05516	14.2
57.03439	3.6
57.07066	2.2
59.05009	0.5
65.03940	1.5
67.05508	23.6
69.07072	13.4
69.79887	2.8
71.04991	1.5
79.05501	17.3
81.07061	26.5
83.04991	1.5
83.08625	6.3
85.06560	1.5
91.04912	0.7
91.05486	15.4
93.07047	17.4
95.04968	1.7
95.08614	21.5
97.06545	2.6
97.10175	3.2
98.21457	0.8
99.08084	0.9
103.05444	0.7
105.04534	0.5
105.07037	16.3
107.04925	0.6
107.08601	12.6
109.06510	0.9
109.10161	9.2
111.08086	1.1
115.05487	1.5
116.06227	0.7
117.07028	9.0
119.08590	12.6
121.10154	8.8
123.08053	0.9
123.11707	2.2
125.09633	1.7
128.06258	3.1
129.07005	11.6
131.08580	13.8
133.10138	11.9
135.11696	4.5
137.09590	0.6
137.13258	0.7
139.11205	0.8
141.06996	5.8
142.07805	3.5
143.08566	14.9
144.09320	1.0
145.10127	15.3
147.11700	6.8
149.13312	2.4
152.06171	0.6
153.07010	1.2
154.07784	1.5
155.08569	12.9
156.09341	2.0
157.10146	13.7
158.10944	0.9
159.11710	10.6
161.13229	3.8
163.14781	1.0
165.07048	1.6
166.07877	1.0
167.08562	6.1
168.09399	1.8
169.10143	17.5
170.10890	0.5
171.11703	11.8
173.13260	6.4
175.14862	2.5
177.16391	0.8
178.07953	0.8
179.08568	2.4
180.09372	1.4
181.10132	9.1
182.10921	1.2
183.11699	15.9
184.12527	1.1
185.13283	10.2
187.14853	3.7
189.12738	0.6
189.16412	1.7
193.10092	3.9
195.11710	10.3
196.12466	1.1
197.13283	10.6
198.14027	0.9
199.14835	6.2
201.16441	1.6
205.10097	0.9
206.11044	0.7
207.11754	3.8
208.12508	0.6
209.13260	7.6
209.15132	0.7
211.14832	7.3
213.14777	0.7
213.16458	4.2
215.17952	0.9
217.19647	0.6
219.11691	1.0
220.12541	0.6
221.13312	3.0
222.14058	0.6
223.14838	6.0
225.16417	4.7
227.14325	0.5
227.16089	0.7
227.18159	2.9
233.13443	0.8
235.14838	2.2
237.16382	4.0
239.17970	3.2
241.19609	1.9
245.18849	0.8
247.14839	1.0
249.16457	2.2
251.17979	2.5
252.18607	0.5
253.19537	1.5
255.17459	0.7
255.21269	0.9
257.19080	1.2
259.20505	0.9
261.16357	1.4
263.18069	1.5
265.19653	1.4
267.21078	0.7
271.20786	0.6
275.20279	1.2
277.19543	1.1
279.21173	1.0
281.22736	0.8
285.22186	0.8
291.21066	0.9
295.20654	1.0
297.22107	0.9
307.20392	0.6
309.22101	1.0
311.23578	0.8
319.24237	0.8
321.22214	1.4
323.23825	1.6
325.21698	0.9
325.25372	1.0
333.25452	0.6
335.23630	1.1
337.25305	1.8
339.23132	0.8
339.27008	1.1
341.24945	0.7
347.23718	0.8
349.25183	1.2
351.26834	1.8
361.25235	0.9
363.26810	1.0
365.24521	1.0
365.28571	1.6
367.26389	1.0
377.28641	1.0
379.26031	0.8
379.30331	1.2
381.27817	1.0
393.31796	1.0
395.29193	0.9
405.31543	0.7
407.29102	1.0
419.33246	0.8
421.30612	0.9
435.32663	0.7
439.32352	0.6
447.32574	2.0
459.31601	0.6
473.33035	0.6
475.35562	0.6
483.34488	0.7
499.39410	2.2
501.35995	0.6
502.43201	0.7
515.38684	0.7
517.40436	13.7
535.41760	6.5
539.37183	1.7
540.37817	0.7
547.42511	0.6
549.39423	0.6
553.42322	1.2
555.42084	1.0
573.43060	1.5
591.44159	12.9
592.44342	0.6
603.13068	0.5
609.45178	100.0
610.45538	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01860	4.5
55.05515	26.4
55.41045	1.1
55.41348	1.2
57.03438	12.0
57.07074	2.8
62.48195	1.0
63.04725	1.0
65.03939	3.9
67.05506	63.4
69.07068	21.0
71.04986	2.5
72.13377	1.0
77.03928	1.3
79.05495	56.1
81.07059	62.6
83.04966	3.0
83.08622	10.9
85.06528	2.6
87.41840	1.0
91.04899	2.4
91.05482	58.6
93.07047	61.7
95.04963	6.7
95.08608	46.0
97.06535	5.9
97.10187	3.4
99.08116	2.9
103.05467	2.5
105.04509	2.9
105.07035	48.7
107.04973	2.5
107.08598	29.7
109.06550	3.6
109.10149	17.4
111.08097	2.2
113.09620	1.8
115.05444	3.2
117.07025	36.0
119.08585	35.1
121.10146	22.1
123.08053	3.1
123.11694	5.2
125.09620	3.0
128.06224	4.6
129.07016	17.7
130.07790	4.2
131.04878	1.0
131.08563	36.8
133.10117	25.7
133.39458	1.2
135.08122	2.3
135.11691	13.5
137.09637	1.9
137.13275	1.3
141.06984	4.6
142.07829	3.5
143.08569	15.9
144.09340	2.1
145.06483	1.8
145.10129	54.9
146.10457	1.8
147.08167	1.7
147.11685	21.6
149.09666	6.4
149.13264	7.1
151.11208	2.2
154.07741	1.4
155.08603	8.9
156.09319	1.5
157.10126	21.6
159.11697	42.2
161.09662	4.4
161.13264	11.0
163.11208	4.4
163.63240	1.2
165.12848	1.4
167.08633	3.5
168.09338	2.2
169.10136	14.0
171.11681	12.9
173.13268	14.7
175.14844	3.9
176.77296	1.2
177.12720	1.8
179.08540	2.1
179.14360	1.5
181.10162	4.9
182.10968	1.4
183.11687	14.4
185.13271	12.9
187.11218	2.1
187.14870	5.3
195.11732	4.9
197.13219	9.4
199.14859	4.4
201.12833	1.8
201.16376	4.6
203.14377	3.6
205.15782	1.2
209.13307	4.4
211.14769	6.8
213.16446	3.3
215.17987	1.8
219.17349	5.1
223.14876	2.7
225.16428	2.3
227.17970	2.3
229.19511	6.3
233.13200	1.3
237.16422	2.9
239.17976	13.8
241.19678	2.0
243.21204	1.6
249.16519	1.3
251.17944	1.5
255.17540	1.2
257.19006	42.1
258.19452	2.0
259.20657	3.8
261.22092	5.6
275.20096	26.1
281.22791	1.3
293.21075	2.5
313.21722	2.6
315.18860	1.1
331.22708	13.4
333.24316	1.8
335.25806	22.6
347.58676	1.1
349.23892	3.0
351.26855	1.4
378.18835	1.3
391.19250	1.9
405.20752	1.9
406.21506	1.8
407.22226	2.2
415.19012	1.8
421.23953	3.4
429.20734	2.1
433.20285	2.3
444.22913	1.6
457.24216	1.3
459.21463	1.9
461.19843	3.7
462.20517	2.0
474.20541	1.5
475.21268	5.4
476.22028	5.7
477.23120	4.8
485.23676	5.2
486.20352	1.7
487.25436	1.6
489.22827	3.7
499.21365	1.6
503.24719	5.1
513.23071	2.1
515.24164	5.6
517.40448	5.0
521.25348	1.4
529.33588	1.4
531.23969	10.2
535.41565	4.4
550.25763	2.8
559.23474	5.2
591.26031	21.1
591.44470	5.9
592.26349	2.0
609.27240	64.9
609.45129	100.0
609.53699	4.9
610.27191	6.4
610.45624	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57333	0.8
51.02378	1.5
53.03947	5.8
53.67669	1.0
55.01866	3.0
55.05514	18.9
55.92798	0.8
57.03422	2.5
57.07074	2.9
62.80677	0.7
65.03924	2.4
67.05507	46.8
69.03422	2.1
69.06728	1.5
69.07072	18.6
71.04991	1.8
71.08638	1.3
71.20415	1.5
77.03938	1.6
79.05497	53.8
81.03442	1.8
81.07058	57.2
83.04971	7.8
83.08622	8.0
85.06548	2.3
89.88278	0.8
89.99112	0.9
90.21507	0.9
91.05480	42.5
93.07047	55.9
94.83218	0.9
95.04963	8.9
95.08610	40.3
97.06536	4.8
97.10184	3.4
99.08113	1.7
105.04530	3.1
105.07037	35.1
107.04958	7.2
107.08595	35.4
109.06514	9.2
109.10162	15.6
111.08084	2.2
111.11794	0.7
115.05455	1.4
115.06211	0.8
116.06203	0.9
117.07011	11.4
119.08589	24.6
121.06518	12.0
121.10145	18.3
123.08051	6.7
123.11706	4.4
125.09657	1.7
128.06290	1.2
129.07014	4.7
130.07751	1.3
131.08565	21.2
133.06503	3.6
133.10129	19.8
133.11104	1.4
135.08081	4.9
135.11694	11.3
137.09627	3.7
137.13301	1.5
139.11218	1.0
141.06976	1.9
142.07800	1.7
143.08585	6.7
145.06488	2.0
145.10132	19.1
147.08054	4.4
147.11685	14.3
149.09622	5.4
149.13286	7.7
151.07552	1.1
151.11165	4.3
155.08566	3.6
157.10149	6.3
159.08080	1.1
159.11691	11.9
161.09645	2.9
161.13255	6.7
163.11230	3.5
163.14841	2.4
165.12790	1.1
169.10173	3.5
171.11697	5.1
173.09668	3.7
173.13292	10.2
175.11250	2.4
175.14853	3.3
177.12727	2.7
177.16365	1.0
179.14334	1.5
181.10149	1.5
183.11690	4.4
185.13255	3.2
187.11185	2.5
187.14856	4.1
189.12753	1.7
189.16524	1.0
191.14294	4.2
195.11710	1.4
197.13219	3.9
199.14871	2.0
201.12804	2.9
201.16385	2.0
205.19662	1.6
206.15259	0.9
207.13860	2.0
211.14880	1.7
215.14377	1.5
215.18013	3.9
217.19557	1.0
219.13884	2.9
219.17485	1.2
229.15907	1.1
229.19623	2.8
231.17519	1.0
239.17949	4.0
239.23798	0.8
241.19659	1.0
243.21025	1.6
247.20581	4.0
257.18988	13.9
260.34204	1.0
261.22116	4.4
275.20071	100.0
276.20563	1.1
277.21628	2.5
293.21085	21.4
293.24228	1.2
315.23068	0.9
317.24921	2.8
331.22888	1.1
346.27097	0.8
349.23773	5.3
355.07227	1.6
517.40833	1.4
535.41351	1.4
553.42389	1.2
609.45197	66.8
609.53656	4.5
610.45490	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.7
51.02379	1.6
53.03947	8.8
55.01868	10.0
55.05512	24.5
57.03437	6.2
57.07074	2.4
60.85772	0.8
65.03938	7.2
67.05505	76.1
69.03430	2.4
69.07067	42.3
69.12935	4.6
69.13364	4.0
71.04314	0.8
71.05000	2.8
76.81070	0.8
77.03941	1.9
79.05493	81.6
81.03426	7.0
81.07056	100.0
82.07403	1.4
83.04987	10.2
83.08617	11.2
85.06531	4.5
91.05479	86.5
93.07043	77.4
94.07389	1.2
95.01324	9.5
95.04968	16.1
95.08607	60.3
96.08968	1.5
97.06529	16.6
97.10181	5.1
99.04436	1.5
99.08112	2.1
103.05502	2.7
105.04525	4.0
105.07032	83.1
106.07365	1.1
107.04960	17.3
107.05641	1.5
107.08595	36.5
109.06514	16.5
109.10155	16.4
111.04486	0.9
111.08089	4.4
113.09682	1.8
115.05437	1.5
116.06233	1.0
117.07023	22.7
119.08583	51.7
121.06525	3.0
121.10148	24.4
121.11042	1.0
122.10473	1.5
123.04476	2.0
123.08044	5.2
123.11752	4.6
125.09663	1.8
128.06175	1.3
129.07021	5.5
131.04893	0.9
131.08568	36.7
133.06577	1.4
133.10126	46.4
135.08052	7.3
135.11682	16.0
135.12581	1.2
137.09685	2.9
137.13261	1.0
137.16216	0.9
139.07596	1.4
141.07033	2.2
143.08563	6.5
145.06526	1.3
145.10118	25.0
146.10487	1.0
147.11694	23.6
147.12808	1.3
149.09616	7.6
149.13242	8.1
151.11244	2.7
153.12791	1.4
155.08594	2.7
157.10126	4.6
159.08067	1.4
159.11688	16.7
161.13280	8.7
163.11195	4.1
163.14908	3.2
165.09190	2.5
165.12814	1.4
169.10219	3.3
171.11705	5.6
173.13283	7.5
175.11263	1.7
175.14903	3.1
177.12788	3.4
179.14330	15.5
183.11732	3.7
185.13326	2.7
187.11232	3.4
187.14844	2.3
193.12296	1.5
197.13316	2.8
201.16409	2.9
203.14374	1.9
205.12305	1.8
211.14906	2.0
215.18019	1.6
219.17439	45.0
229.19586	3.7
233.15263	0.8
239.18085	2.4
243.21175	1.1
247.20648	3.7
257.18997	8.7
261.22134	2.1
275.20059	95.6
276.20572	1.6
278.86752	1.0
284.24634	1.0
293.21100	6.8
302.88531	0.8
317.24847	1.1
331.22928	1.1
335.25900	2.5
349.23978	3.0
609.45227	59.8
609.53284	4.2
610.45496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05518	11.2
57.07066	5.5
67.05504	26.3
69.07071	24.2
69.42736	3.7
69.43134	10.6
77.99934	1.6
79.05486	17.0
81.07059	73.1
82.89201	1.6
83.08614	8.4
91.05483	15.4
93.07045	36.5
95.05029	2.0
95.08609	62.8
97.10161	5.8
98.20738	1.8
105.07027	37.3
107.08599	46.1
109.10160	47.1
111.11728	3.2
117.07030	5.5
119.08585	36.8
119.35964	1.6
121.10149	35.4
121.11037	1.8
123.11700	20.0
129.06998	2.9
131.08583	14.4
133.10136	28.4
135.11694	22.3
137.13266	6.0
143.08582	6.8
144.09322	2.8
145.10126	21.7
147.11690	22.8
149.13271	17.9
155.08566	3.6
156.09326	3.3
157.10112	12.6
158.10870	1.8
159.11687	29.4
160.12375	1.9
161.13258	21.2
163.14825	13.3
165.63594	1.5
169.10138	4.5
171.11703	12.6
172.12556	1.7
173.13258	19.3
175.14825	17.0
177.16360	8.4
183.11711	4.9
185.13258	11.6
187.14851	11.7
189.16399	8.8
191.17978	3.7
197.13297	5.3
199.14787	11.6
201.16348	10.2
203.18001	6.0
205.43594	1.7
209.13290	2.4
211.14862	5.7
213.16432	9.8
215.17870	8.1
217.19542	4.4
223.14867	3.8
225.16429	8.2
225.18633	1.8
227.18002	6.3
229.19522	5.9
231.21054	3.0
235.14932	2.1
237.16466	2.6
239.18005	4.3
241.19536	4.9
243.21198	3.8
251.18051	2.7
253.19582	3.9
255.21162	4.8
267.21124	3.5
269.22745	3.1
279.21133	2.2
283.24127	3.2
285.25708	2.2
293.22632	2.4
295.24146	2.7
297.25702	3.9
299.27295	1.8
309.25919	3.0
323.27585	2.6
325.28970	2.9
335.27032	2.1
344.67612	1.7
372.51810	1.6
405.35147	3.3
417.34875	1.8
459.39639	3.1
473.41287	2.4
485.41293	2.1
487.43066	2.7
499.43121	2.6
527.45953	2.9
553.47974	2.3
609.53943	100.0
610.53973	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	609.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.6
53.03941	3.5
55.05517	18.7
57.07072	3.4
61.29448	1.4
66.25434	1.3
67.05511	30.5
69.07079	28.2
71.14020	2.5
79.05496	18.7
79.85336	1.7
81.07065	82.7
83.08624	14.8
91.05487	17.6
93.07052	46.4
95.04973	2.5
95.08616	76.5
97.10197	7.6
103.05501	1.5
105.06327	1.7
105.07042	41.1
107.08602	54.1
109.10167	53.2
111.11732	3.9
115.05467	2.1
117.07050	4.6
119.08602	39.7
121.10159	41.9
123.11727	21.6
128.06288	1.6
129.07043	2.5
129.85524	1.5
131.08575	14.6
133.10141	29.5
135.11700	25.9
137.13278	8.4
141.07040	1.8
143.08557	12.9
144.09380	3.3
145.10135	28.0
147.11693	22.4
149.13283	20.3
151.14861	3.2
155.08557	5.7
156.09424	2.4
157.10155	16.7
158.10980	2.9
159.11699	28.0
161.13281	25.8
163.14841	13.7
167.08669	1.5
169.10168	7.4
170.10986	1.7
170.30872	1.5
171.11681	15.7
172.12508	1.8
173.13264	25.7
175.14836	16.9
177.16371	7.1
181.10220	2.1
183.11711	11.4
185.13251	11.0
187.14853	17.8
189.16388	10.4
191.17946	2.2
195.11729	3.5
196.12508	2.2
197.13264	7.0
199.14822	10.7
200.04950	1.4
201.16394	12.3
203.18031	7.9
205.19571	1.6
209.13257	4.0
211.14876	6.7
213.16391	11.2
215.17964	9.7
217.19595	4.5
223.14911	4.7
225.16454	4.5
227.17987	9.3
229.19649	6.0
231.21115	1.8
237.16435	1.9
239.17999	4.3
241.19565	5.1
243.21141	5.4
249.16661	2.1
251.18077	2.2
253.19646	3.6
255.21202	3.5
257.22714	5.0
267.21161	3.8
269.22745	4.7
271.24292	3.2
281.22623	2.7
283.24271	5.4
285.25952	2.1
285.91287	1.4
293.22858	2.1
295.24323	3.0
297.25775	2.2
299.27634	2.0
309.25900	3.3
311.27386	1.7
323.27484	3.3
335.27237	1.9
337.29147	3.2
339.30801	1.4
349.29053	1.6
351.30573	2.4
371.17218	1.4
375.30597	1.6
391.33673	1.8
431.36905	2.0
433.38452	2.1
457.38507	2.1
459.39969	1.9
499.42792	1.6
513.44977	2.0
527.45709	1.7
553.47601	2.1
609.53992	100.0
610.54468	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	609.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
53.99324	1.4
55.05520	12.5
56.69042	1.4
57.07084	4.2
64.90495	1.4
65.03947	1.8
67.05508	26.2
69.06734	2.4
69.07075	27.1
79.05497	20.6
81.07063	76.4
83.08623	11.2
91.05494	16.6
93.07055	34.5
95.08611	64.8
97.10183	5.3
103.05455	1.9
105.07040	33.7
107.08599	42.1
109.06513	2.2
109.10166	42.9
111.11739	3.6
117.07017	5.7
119.08589	38.9
121.10152	32.4
121.13086	1.7
123.11709	19.4
129.07028	2.2
131.08586	14.4
133.10139	26.8
135.11710	21.9
137.13301	7.0
142.07759	2.0
143.08533	8.3
144.09377	2.3
145.10133	19.8
147.11685	22.7
149.13263	13.4
155.08606	3.3
156.09331	2.0
157.10165	14.7
159.11700	27.4
161.13254	19.4
163.14850	14.0
169.10161	4.6
171.11702	11.6
173.13271	19.2
175.14841	15.6
177.16383	7.0
183.11722	5.9
185.13268	10.5
187.14824	15.0
189.16409	10.0
191.18066	3.2
195.11775	3.0
197.13289	5.8
199.14912	9.3
201.16396	11.3
203.17911	7.1
209.13303	3.5
211.14906	5.5
213.16432	7.5
215.17949	8.5
217.19530	3.0
223.14806	2.7
225.16388	3.6
227.15964	1.5
227.17880	7.5
229.19566	5.8
231.21075	1.9
237.16469	2.3
239.18045	2.7
241.19617	6.5
243.21097	5.0
245.22585	2.1
247.51712	1.7
253.19514	4.1
255.21065	4.2
257.22781	3.5
267.21112	3.3
269.22729	4.9
271.24298	3.3
279.21323	1.9
281.22653	3.7
283.24219	5.5
293.22781	1.9
297.25827	2.5
325.29031	1.5
337.28983	2.9
339.30801	1.5
351.30548	2.0
365.32382	2.0
391.33713	2.6
459.40005	1.8
461.42014	2.2
475.42661	1.6
499.43417	2.1
501.44736	1.7
514.04358	1.8
527.46259	2.8
609.53986	100.0
610.54285	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	610.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05508	2.1
65.54342	0.5
67.05508	0.9
69.03436	1.0
69.07072	1.2
70.06599	1.2
71.05042	0.4
71.08635	2.8
71.47466	0.6
71.47861	0.6
72.08142	1.5
73.04745	1.1
79.05488	2.2
81.03432	0.7
81.07063	2.5
83.04978	1.2
83.08603	0.6
84.08141	0.9
85.02893	0.8
86.06085	3.1
86.09691	0.5
89.82433	0.5
90.36652	0.5
91.05436	0.8
93.07049	2.7
94.07375	0.5
95.04960	1.8
95.08601	1.9
96.08131	2.6
97.02885	0.7
98.09695	2.9
99.08114	2.2
101.06013	1.4
103.05497	0.5
105.04537	0.5
105.07022	0.8
107.04958	100.0
107.08604	1.2
108.04429	0.4
108.05305	1.3
108.08131	0.8
109.10194	1.0
111.04453	1.2
116.10730	9.6
119.08600	1.1
120.08086	0.5
121.10126	0.9
122.09646	1.3
124.07565	0.7
126.09108	0.4
126.51375	0.4
127.03904	0.6
131.04939	1.1
131.08421	0.4
133.10124	0.7
142.08647	1.4
143.10698	1.2
145.04955	0.6
149.96242	0.5
154.15924	1.2
166.15938	1.2
168.17552	0.5
173.08153	0.8
175.95094	0.5
178.15935	0.7
182.15527	0.6
190.12259	1.0
196.16994	3.7
198.14926	0.5
208.13385	0.6
214.18021	59.2
215.18448	0.7
226.14346	5.2
226.16217	0.5
239.09485	0.7
244.15450	18.4
253.09004	0.5
287.05536	3.0
342.22748	16.7
355.07007	0.8
376.23376	0.6
406.20474	0.7
439.77386	0.6
504.28372	0.7
512.24951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11389	4.1
53.03955	9.6
54.08298	4.1
54.76985	4.1
55.05512	24.9
57.07056	13.8
65.72627	5.2
67.05509	30.8
69.03420	18.1
69.07071	43.1
69.18785	37.2
69.39769	4.1
71.04987	5.4
71.08630	7.9
73.04749	5.1
79.05495	28.3
81.03399	15.2
81.07063	89.2
81.89364	4.3
83.08620	23.6
85.02905	45.7
85.10192	7.8
86.06052	5.1
87.00819	17.3
88.67185	4.2
91.05470	17.5
93.07050	45.4
94.07398	6.2
95.04977	8.0
95.08611	83.9
97.02876	14.8
97.10169	12.3
99.04412	8.7
103.05465	6.4
105.01865	19.3
105.07024	26.7
107.04955	100.0
107.08610	34.4
108.05325	4.6
109.02858	13.4
109.10171	50.4
111.11729	11.7
116.10753	7.0
117.07028	4.8
119.08601	24.9
121.10139	27.8
123.11703	22.2
127.03896	30.5
131.04900	7.7
133.10135	32.7
135.11697	24.4
137.05975	5.4
137.09653	5.6
137.13231	16.6
145.04958	10.9
147.11691	25.0
149.13280	23.8
151.03929	5.3
157.10170	5.0
161.13225	18.0
163.14807	15.0
165.12709	5.9
167.07043	10.8
173.04454	4.7
177.16412	5.3
179.17885	5.3
181.05080	5.2
189.16393	7.1
189.98779	5.7
203.18033	9.3
217.19540	8.6
226.14413	6.9
239.09276	5.1
244.15404	26.7
273.25790	41.0
287.05536	25.6
291.26868	39.7
309.27847	14.0
327.29114	4.8
342.22845	7.4
355.06915	5.2
611.30597	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	610.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.05515	9.6
57.07059	2.6
65.03939	5.1
67.05505	16.3
69.07067	11.3
69.83608	9.0
73.04752	4.1
74.51376	1.7
77.03903	1.8
78.14157	1.8
79.05502	25.0
80.05840	1.6
81.07060	24.3
83.08625	2.7
84.00517	1.7
84.03778	1.6
85.02899	4.6
91.05463	34.3
92.05827	1.7
93.07053	96.4
94.07400	2.2
95.04980	4.9
95.08610	24.0
97.06543	5.0
97.10169	2.5
105.04515	2.3
105.07033	19.2
107.08604	100.0
107.62186	1.6
108.08916	1.9
109.06541	2.0
109.10169	7.9
115.59724	1.7
117.07038	5.3
119.06042	1.9
119.08608	9.0
121.10151	10.8
123.11683	5.1
129.07031	2.2
131.08562	7.3
133.10127	8.0
135.11705	52.6
135.12737	3.3
135.34846	1.4
143.08553	3.1
145.10143	7.3
147.11684	5.7
149.13278	5.6
157.10130	2.2
159.11732	7.2
161.13257	4.9
163.14836	3.1
171.11726	2.0
173.13295	4.7
187.71397	1.7
187.95677	1.6
215.17760	2.0
229.19566	2.3
239.09506	2.1
275.20169	5.6
276.20511	1.9
287.05521	12.7
355.06870	5.0
393.31107	1.6
413.34393	2.2
610.45313	16.2
610.54352	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	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.96255	0.2
51.25937	0.2
51.69995	0.2
57.03419	0.4
61.02913	0.8
63.21356	0.2
67.74160	0.2
68.99800	0.4
69.03442	1.8
70.72672	0.6
70.73040	0.4
71.04972	0.3
72.28629	0.2
81.03432	1.2
82.82150	0.3
84.76637	0.2
85.02909	5.5
89.05571	0.2
97.02903	2.1
99.04448	0.4
105.03440	0.3
107.04977	0.3
109.02858	0.9
111.00790	0.7
121.02879	2.5
121.15031	0.3
127.03905	1.0
133.02852	0.3
137.02370	0.5
145.04948	0.7
147.04437	0.5
153.01843	2.7
165.01862	1.3
183.02971	0.6
213.05527	1.5
231.06529	0.7
241.04950	0.9
258.05286	1.2
259.06015	0.3
269.74731	0.3
287.05511	100.0
288.05917	1.7
336.60779	0.3
449.10867	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	611.1612
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.57217	0.2
53.03948	0.5
55.01865	0.7
57.03445	1.5
61.02931	1.9
62.95944	0.2
68.99800	0.3
69.03432	4.7
69.93975	1.0
70.06585	0.5
71.05000	1.6
72.01765	0.2
73.02928	1.0
75.09344	0.2
79.05479	0.2
81.03418	2.0
85.02911	19.4
87.04453	0.6
91.03958	0.8
95.04307	0.2
97.02901	5.0
99.04449	0.9
105.03400	0.3
107.04986	1.1
107.05637	0.2
109.02894	1.8
110.93407	0.2
111.00804	0.7
119.04940	0.3
121.02862	2.2
121.06501	0.2
127.03918	3.4
129.05489	0.4
133.02853	0.4
137.02324	0.9
145.04977	5.6
147.04410	1.4
153.01837	3.8
163.06046	0.9
165.01862	1.8
167.79767	0.2
183.02882	0.8
185.05981	0.4
201.05673	0.3
213.05499	1.3
219.70628	0.2
229.04927	0.5
231.06540	0.7
241.05002	0.6
257.04507	0.4
258.05383	1.0
259.05957	0.3
287.05518	100.0
288.05884	1.4
299.05515	0.5
303.05005	11.9
327.41467	0.2
329.06595	0.6
337.66382	0.2
449.10608	0.7
547.60437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01849	0.3
57.03432	0.6
61.02923	0.6
65.66324	0.2
68.99790	0.4
69.03432	2.3
70.97496	0.4
71.04989	0.2
81.03413	1.0
85.02905	5.7
87.04504	0.4
89.17571	0.2
91.03969	0.4
95.11947	0.3
97.02905	1.5
99.04444	0.3
101.18808	0.2
109.02901	0.6
111.00804	0.5
121.02855	2.2
127.03911	1.0
133.02829	0.6
137.02347	0.7
145.04956	1.2
147.04424	0.6
153.01834	2.5
165.01892	1.5
183.02942	0.7
185.05995	0.4
213.05383	1.2
231.06503	0.5
241.04904	0.7
244.99947	0.2
258.05228	0.9
272.26434	0.2
287.05505	100.0
288.05774	1.6
332.86365	0.3
449.10803	6.2
600.47375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03986	0.8
57.03485	0.8
67.05556	1.2
69.03499	2.7
69.07117	1.0
70.06663	1.1
70.93697	1.6
70.94047	1.0
79.05559	1.5
81.03492	2.0
81.07121	1.8
85.02979	2.1
91.05534	1.3
93.07133	0.9
95.08679	1.4
95.91431	0.7
97.02940	1.6
103.05494	4.1
103.50854	0.7
105.07101	1.1
107.04964	17.8
107.08659	1.0
108.05349	1.3
109.02970	1.2
109.10233	1.3
121.10179	0.9
127.03999	1.4
129.03142	1.4
131.04945	9.0
131.08606	0.7
133.10173	0.8
137.06056	1.2
145.05086	0.8
145.10226	1.0
153.01891	1.1
159.11751	0.8
167.06960	1.3
171.04332	0.7
195.06450	2.5
213.07349	34.5
259.75330	0.9
273.04681	0.7
273.07477	3.2
287.05508	19.8
287.08490	1.2
315.08405	32.0
319.11502	7.0
333.09448	37.0
340.06674	0.9
413.30606	1.1
431.31613	1.4
449.10349	1.3
505.16827	100.0
506.17090	2.0
611.20898	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	611.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61581	0.8
53.03926	1.1
55.05479	1.1
67.05464	1.3
69.03399	1.0
69.07042	1.3
69.17189	7.8
70.06567	1.4
73.04762	0.9
79.05444	1.1
81.03380	0.9
81.07028	1.8
85.02867	3.1
91.05407	1.0
95.04926	0.9
95.08546	1.4
95.84486	0.7
97.02882	1.0
97.06496	0.9
103.05408	3.4
105.06998	2.7
107.04343	1.1
107.04961	13.9
107.08524	0.9
109.02853	1.4
112.60696	0.6
128.06215	0.7
129.03055	1.1
131.04915	5.7
131.08557	0.9
137.05899	1.1
145.10124	1.3
147.04344	0.9
152.86678	1.0
167.06850	1.0
195.06355	1.2
213.05301	1.7
213.07310	13.4
273.07382	5.6
287.05524	33.8
315.08414	10.7
319.11401	1.9
333.09457	65.1
334.09885	0.8
351.42316	0.8
449.10666	1.9
505.16843	100.0
506.17145	1.3
611.21063	26.9
611.30133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
67.05499	1.7
69.03440	3.7
69.07065	1.6
71.04961	0.9
79.05498	2.3
81.03413	2.6
81.07050	2.9
83.04972	1.0
83.08630	0.8
85.02898	3.2
86.09638	1.0
91.05454	1.9
93.07059	2.4
95.04978	1.6
95.08598	2.7
97.02901	4.1
97.06535	1.6
98.21562	1.5
99.04458	1.5
103.05469	5.1
105.07025	1.8
107.04967	24.8
107.08560	1.6
108.05311	1.5
109.02885	1.5
109.06507	1.0
109.10183	1.7
119.04915	0.9
119.08578	1.5
121.02934	1.2
121.06509	1.3
121.10168	1.3
123.04459	1.1
123.11743	0.9
123.88763	0.7
127.03932	1.8
129.03125	1.7
129.07054	1.1
131.04948	15.0
133.10162	1.3
135.11713	0.9
137.05992	2.1
145.06464	1.4
145.10132	1.0
147.04436	1.1
150.09132	1.2
151.03941	0.8
153.01822	1.4
157.10034	0.8
167.06911	2.1
187.11205	1.1
195.06363	2.6
203.14453	0.9
213.07352	40.6
216.73425	0.9
273.07361	2.9
287.05515	35.8
288.05887	1.3
315.08392	20.3
319.11496	6.4
333.09460	27.6
375.08719	0.9
378.05585	0.9
413.30618	1.1
431.31741	1.3
449.10806	2.3
474.16772	1.0
487.16330	1.1
505.16833	100.0
611.21014	32.2
611.29926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	1.3
55.05237	0.9
55.05509	17.7
57.03434	3.7
57.07082	4.8
59.93744	0.8
65.03946	1.9
67.05505	33.8
69.03429	0.8
69.06725	0.7
69.07066	16.9
70.61273	1.5
70.61602	1.5
71.04972	1.6
71.08625	2.5
73.04782	0.8
79.05490	20.9
81.07056	30.1
81.07537	1.8
83.04978	1.8
83.08610	7.4
85.06540	1.8
90.55344	1.0
91.05469	17.6
93.07047	21.5
95.04980	2.4
95.08608	25.7
97.06526	3.0
97.10158	5.9
105.04500	1.1
105.07033	18.9
107.04938	0.8
107.08581	13.9
109.06472	1.6
109.10152	10.8
112.68479	0.8
115.05476	1.4
117.07006	12.2
119.08578	17.5
121.10137	10.4
123.08054	1.3
123.11693	3.3
125.09650	2.0
128.06232	2.8
129.07010	10.5
130.07761	0.9
131.08562	19.1
133.10127	13.0
135.08025	1.0
135.11649	5.5
137.13271	0.9
141.06963	3.7
142.07816	1.6
143.08559	14.9
145.10129	18.6
147.11697	8.1
149.09612	1.0
149.13274	3.6
151.14932	0.8
155.08563	9.4
156.09322	1.2
157.10130	15.1
159.11707	11.7
161.13234	5.5
163.14830	1.7
167.08560	3.6
169.10135	9.3
171.11687	12.9
173.13271	7.5
175.14835	2.9
177.16411	1.8
179.08574	1.0
179.14362	1.8
181.10165	3.3
183.11711	8.1
185.13266	7.7
187.14847	8.4
189.16383	2.6
193.10211	1.8
194.39000	0.7
195.11787	3.7
197.13286	6.2
199.14827	7.0
201.16417	3.3
203.18047	1.6
207.11765	1.9
209.13206	4.0
211.14813	5.5
213.16403	4.5
215.18033	2.4
217.19469	1.3
221.13300	1.0
223.14835	3.0
225.16371	4.1
227.17990	3.5
229.19524	2.8
235.14949	0.9
237.16451	1.7
239.18030	2.2
241.19629	3.1
243.21184	1.9
249.16412	2.2
251.17920	1.9
253.19525	1.8
255.17448	1.2
255.21213	1.8
257.19034	2.1
263.18076	1.1
269.22635	1.2
272.58960	0.7
275.20187	1.7
277.21738	1.2
279.21085	0.9
283.20609	1.0
283.24167	0.9
287.05511	6.4
295.20505	0.9
301.21704	0.8
307.24368	1.1
309.22162	1.7
311.23773	0.9
315.23367	1.2
316.29953	1.0
335.25974	0.8
339.26834	1.6
353.28357	1.9
355.26236	0.9
395.33438	1.6
397.60318	0.9
510.90311	0.9
519.42041	10.0
529.07117	1.1
537.43164	6.6
541.39136	1.1
575.44836	1.1
593.45819	10.5
611.46692	100.0
612.47247	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01878	2.6
55.05270	2.1
55.05515	20.6
57.03432	7.4
57.07067	3.1
65.03946	2.2
67.05506	49.7
69.07074	18.7
69.56928	1.3
69.83820	1.8
69.84232	5.6
71.04974	2.3
71.08630	1.4
77.03927	1.3
79.05498	40.0
81.06592	2.6
81.07064	47.4
83.05000	1.4
83.08613	9.2
85.06519	1.3
89.32636	1.1
91.05486	35.1
93.07050	38.4
95.04977	3.7
95.08614	39.9
97.06545	3.5
97.10186	3.8
99.08108	1.7
103.05482	1.4
104.00668	1.1
105.04553	1.8
105.07040	38.8
107.08601	24.4
109.06570	1.8
109.10160	17.3
111.08090	1.8
111.71605	1.1
114.24271	1.4
115.05474	1.6
117.07025	16.3
119.08579	31.1
119.09375	2.3
121.10134	17.8
123.08082	2.0
123.11710	5.1
128.06284	2.9
129.07001	11.8
130.07803	1.6
131.08568	28.7
133.10135	23.1
135.11713	13.6
137.09717	1.6
137.13400	1.3
137.37030	1.2
141.07033	2.5
142.07764	2.6
143.08569	17.4
145.10126	23.7
147.11707	19.0
149.13290	7.5
154.54417	1.2
155.06052	1.2
155.08582	6.6
157.10156	16.3
159.11700	19.5
161.13271	12.5
163.14835	4.1
167.08553	1.4
169.10182	10.0
171.11702	17.0
173.13295	13.2
175.14874	5.6
177.12759	1.2
177.16438	1.4
181.10220	3.7
183.11708	8.8
184.12109	1.3
185.13277	11.4
187.14796	7.3
189.16422	2.4
195.11655	2.6
197.13258	7.7
199.14815	8.6
201.16405	5.1
209.13286	2.7
211.14864	4.5
213.16429	4.3
215.18054	2.0
223.14870	2.4
225.16408	4.1
227.18123	1.4
237.16360	1.3
239.18019	1.9
241.19536	6.4
257.19061	5.7
257.22821	1.3
259.20569	16.7
261.22220	4.6
275.19788	1.3
277.21695	1.9
287.23694	1.4
311.23544	1.9
325.25494	1.5
333.24191	10.1
335.25870	13.5
337.27496	2.3
353.28345	1.5
367.30014	1.6
501.41324	1.4
519.42224	6.6
527.36639	1.5
537.43378	3.2
541.39050	2.5
555.40063	2.2
593.45752	8.4
611.46729	100.0
612.46704	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03946	3.4
55.01874	1.8
55.05512	18.8
57.03434	7.2
57.07077	4.4
65.03954	4.6
67.05504	52.6
69.03411	0.9
69.07067	19.9
69.64250	2.2
69.64663	2.2
71.04992	1.6
71.08627	1.8
77.03908	0.8
79.05495	42.6
81.03426	1.0
81.07054	57.1
83.04987	1.2
83.08612	9.7
85.06541	2.5
90.58363	0.7
91.04908	1.7
91.05475	35.5
93.07043	48.0
95.04955	3.7
95.08604	46.1
97.06536	3.5
97.10187	3.9
98.21452	1.0
99.08103	2.3
103.05481	1.4
105.04529	2.4
105.07029	40.1
107.04939	0.9
107.08590	28.8
109.06552	2.4
109.10157	19.4
111.08112	1.9
115.05434	1.7
115.59308	0.7
116.06236	1.2
117.07015	17.5
119.08580	35.5
121.10138	18.9
123.08102	1.5
123.11683	6.9
125.09653	0.9
128.06255	2.5
129.07005	9.8
130.07855	0.9
131.08566	25.9
133.10124	26.0
133.11096	1.7
135.08081	1.0
135.11696	15.5
137.05960	6.3
137.09630	1.9
137.13210	1.1
141.06966	2.2
142.07790	1.6
143.08554	14.1
143.53064	0.8
144.09409	1.8
145.10114	26.4
147.11682	21.7
149.09648	1.8
149.13260	8.6
151.07523	1.0
151.11226	0.9
154.07782	1.0
155.08556	6.4
156.09334	1.6
157.10107	14.1
159.11697	21.0
161.13246	15.9
163.11163	1.4
163.14780	3.8
165.12781	0.8
167.08598	1.9
169.10130	7.8
171.11690	12.9
173.13252	15.2
175.11246	1.3
175.14844	7.5
177.12929	1.0
177.16422	1.4
179.14368	1.5
181.10121	3.8
183.11720	6.2
185.13239	11.3
187.14816	8.0
189.16408	2.9
195.11746	2.9
197.13287	6.4
199.14835	7.6
201.16466	3.1
203.17947	1.9
207.11864	1.1
209.13307	2.3
211.14851	5.4
213.16385	6.0
215.18001	2.6
219.17641	0.9
221.15500	0.8
223.14883	2.0
225.16434	2.2
227.17966	2.8
229.19604	2.5
231.17529	1.9
231.21194	2.0
237.16483	1.7
239.18013	3.2
241.19652	8.7
243.21190	2.8
249.18669	0.8
253.19550	1.1
255.21260	1.1
257.19205	4.1
259.20563	18.5
261.22198	4.9
275.20175	0.9
277.18100	5.6
277.21698	2.0
285.22391	1.2
287.05624	3.8
297.22028	1.4
303.23145	1.1
311.23914	0.9
315.23282	2.6
317.24619	1.1
325.25479	1.5
331.22678	1.1
333.20425	1.7
333.24203	12.7
335.25766	22.7
337.27478	1.9
339.26779	1.1
351.25989	1.5
353.28439	2.2
356.06836	1.1
367.30194	1.0
369.27872	1.0
373.27304	1.1
407.33209	0.9
431.33347	1.2
435.32468	1.0
449.33954	1.2
475.34552	0.9
489.35712	0.9
519.41913	8.1
529.38959	1.5
537.43268	3.3
541.38721	1.9
593.45593	9.5
611.46735	100.0
612.46875	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01878	2.7
55.05512	18.5
57.03427	7.6
57.07069	4.8
64.87854	1.2
65.03929	4.4
67.05505	50.4
69.07066	16.7
70.99238	3.1
71.05000	2.2
71.08623	2.9
79.05492	33.1
81.03419	2.2
81.07056	54.6
82.07375	1.3
83.04977	1.9
83.08636	9.8
85.06542	2.4
89.06051	2.9
91.05476	36.5
93.07043	42.1
95.04988	3.3
95.08607	40.7
96.61470	1.2
97.06524	3.5
97.10174	3.2
105.07035	34.5
107.04965	1.8
107.08600	25.3
109.06489	2.8
109.10165	16.3
110.66991	1.5
111.08086	2.7
113.09634	1.5
117.07022	14.9
117.13896	1.3
119.08582	29.8
121.10144	21.3
123.08130	1.7
123.11701	7.1
128.06267	2.5
129.07010	11.3
131.08563	25.5
133.10133	22.3
135.11690	14.0
141.06981	2.2
142.07741	1.2
143.08545	13.3
145.10126	23.4
147.11690	18.7
149.09656	1.6
149.13243	7.8
155.08557	7.7
157.10103	13.7
159.11700	16.0
161.13269	15.3
163.11168	1.7
163.14850	2.6
167.08615	2.3
169.10089	6.6
171.11687	13.8
173.13245	12.5
175.14835	5.8
177.16415	1.7
181.10138	2.1
183.10301	1.5
183.11714	6.9
185.13243	10.5
187.14839	4.6
189.16385	2.4
190.07109	1.5
195.11761	3.7
197.13312	5.4
199.14873	8.7
201.16377	3.4
203.17937	1.4
209.13208	1.7
211.14848	4.0
213.16428	3.7
215.17947	2.7
223.14928	2.4
229.19533	2.6
231.21185	2.4
239.18018	4.3
241.19649	9.4
257.19049	4.3
259.20544	16.3
261.22247	3.5
285.22202	1.6
287.05551	8.8
299.23660	1.7
310.82593	1.5
333.24194	8.6
335.25815	19.2
337.27362	1.8
363.30392	1.5
394.77570	1.5
519.41595	8.3
537.43182	4.9
555.44293	1.6
593.45471	9.3
611.46655	100.0
612.47076	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03939	5.9
55.01862	1.7
55.05510	26.4
57.03442	10.5
57.07071	5.0
63.83830	1.2
65.03947	5.8
67.05505	81.5
69.07067	23.4
71.05000	2.7
71.08628	6.6
71.49595	1.4
73.04757	32.1
73.06580	1.3
74.04706	3.0
74.05102	1.3
75.02686	1.2
79.05492	71.0
81.03423	2.9
81.07057	91.4
82.07391	1.5
83.04986	6.2
83.08627	13.6
85.06539	3.4
85.10178	1.6
91.05466	32.5
91.05849	22.8
92.05717	2.7
93.07043	82.1
95.04977	6.9
95.08609	67.8
97.06525	8.1
97.10146	6.8
99.08068	7.3
103.05461	1.8
105.04530	2.1
105.07030	47.4
107.04955	2.8
107.08595	48.2
109.06541	3.8
109.10155	29.6
111.08085	3.1
111.23689	1.2
113.09650	1.9
114.07362	8.1
115.05408	2.2
116.06127	1.3
116.07094	1.4
117.07006	11.9
119.08581	39.9
121.06499	1.6
121.10144	39.8
123.08097	3.6
123.11717	8.0
128.06265	1.9
129.07007	10.4
131.08557	25.6
133.10121	31.0
135.11679	30.3
137.09631	3.4
137.13278	2.4
139.11179	2.2
141.07013	2.6
141.09158	1.3
143.08569	9.2
145.10117	28.5
147.11687	25.3
149.04524	4.5
149.13249	15.6
151.11183	2.9
155.08585	1.8
157.10133	11.6
159.10432	2.7
159.11678	22.5
161.13261	13.2
163.11172	2.8
163.14801	6.9
165.12738	1.7
167.05545	12.1
168.05547	3.0
169.10139	4.7
171.11697	10.7
173.13208	13.2
175.11200	1.5
175.14804	6.4
177.12892	2.7
177.16415	2.7
179.14299	20.4
181.10126	2.2
183.11739	4.8
185.13240	9.2
187.14839	11.6
189.16447	3.3
195.11887	1.7
197.13298	5.2
199.14787	7.4
201.16449	2.6
203.17969	4.2
205.15904	3.6
211.14850	2.2
213.16432	4.6
215.17986	2.3
217.19527	2.8
221.08501	2.4
221.18947	2.6
225.04410	3.5
225.16418	3.5
226.04553	1.6
227.18004	2.7
229.19611	2.8
231.21017	3.2
235.16980	2.4
239.09552	11.0
239.18188	1.8
240.09543	6.7
241.09445	1.5
241.19569	9.7
243.21332	2.0
257.19064	4.5
259.20566	16.8
261.22086	8.2
267.00024	3.9
268.00140	2.2
268.97845	4.5
269.97729	3.3
275.20157	2.4
277.21655	21.4
283.02966	2.5
284.03268	1.7
285.00998	13.8
286.01001	10.2
287.05505	2.7
299.06134	11.7
300.06204	7.2
301.05927	1.6
315.23233	1.9
333.24164	9.4
335.25848	14.2
337.27261	1.8
344.97644	2.6
345.97623	1.9
351.25867	1.5
355.06985	24.2
356.07062	30.4
357.07025	5.0
374.07883	1.5
402.96375	1.9
416.03650	2.8
418.99658	2.3
419.99585	3.8
490.05624	1.5
519.42041	4.0
537.42871	2.5
551.28333	1.7
586.41901	1.6
593.45667	5.6
611.30609	3.0
611.46692	100.0
611.55194	8.9
612.47272	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	612.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03943	0.8
53.32086	0.2
53.72046	0.2
55.01878	0.3
58.08475	0.2
60.16898	0.2
62.49513	0.2
66.73118	0.1
69.49486	1.2
70.06564	0.2
75.84388	0.1
76.75211	0.2
77.03925	0.4
77.99625	0.1
79.05493	1.0
85.02888	0.5
90.81135	0.1
95.04962	0.9
95.44524	0.2
98.20756	0.2
105.04498	0.5
106.27312	0.2
107.04957	100.0
108.05287	0.8
116.79863	0.2
119.04950	0.7
143.87656	0.2
145.04976	0.3
147.04424	3.3
165.05478	2.0
177.05510	1.4
240.94827	0.2
424.97150	0.2
450.40854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57225	0.3
53.03934	1.0
68.31734	0.2
69.12555	0.2
70.06623	0.3
70.26867	0.9
79.05487	1.1
85.02917	0.4
92.81600	0.3
95.04956	0.9
97.02885	0.3
105.04514	0.6
107.04960	100.0
108.05326	0.4
137.05994	0.4
147.04431	0.9
165.05527	0.5
177.05461	0.4
275.15286	0.3
287.05478	0.4
288.05917	0.4
288.96625	0.3
394.78247	0.3
481.40836	0.3
564.11523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03943	3.4
55.05512	15.6
57.03431	4.2
57.07069	3.6
65.03951	2.1
67.05508	44.5
69.07078	18.0
71.04995	2.4
71.08648	1.9
71.40718	1.5
79.05497	29.1
81.07062	52.1
83.04961	1.3
83.08617	7.1
85.06560	1.5
89.43138	1.1
91.05486	19.2
93.07050	36.6
95.04984	1.5
95.08615	43.1
97.06548	2.9
97.10171	3.8
99.08142	1.3
105.07041	21.8
107.08611	20.5
109.10159	19.9
111.08068	1.9
111.11650	2.2
115.05466	1.5
117.07027	10.5
119.08588	23.1
121.10155	20.0
123.11715	8.7
129.07021	3.1
131.08565	19.5
133.10133	19.8
135.11688	13.4
137.13274	4.0
143.08592	5.0
145.10132	16.3
147.11710	15.7
149.13281	7.8
157.10136	4.1
159.11690	12.5
161.13261	10.2
163.14880	3.9
163.26865	1.2
169.10216	1.9
171.11687	6.1
173.13239	10.3
175.14793	6.5
177.16409	1.4
183.11690	1.4
185.13307	4.9
187.14821	6.0
189.16423	2.9
191.18037	1.6
194.68936	1.6
197.13280	2.2
199.14903	3.4
201.16418	3.9
203.17963	2.3
211.14899	1.4
213.16431	2.7
215.17963	1.7
217.19435	1.6
231.21069	1.6
241.19644	3.0
243.21039	1.4
247.20467	2.2
259.20657	9.1
261.22128	12.2
273.22290	1.9
299.23618	2.0
309.24576	1.6
315.23367	1.6
317.24606	2.3
333.24216	6.6
335.25870	17.8
337.27383	9.8
341.28546	1.8
353.27933	1.7
369.31470	1.4
447.47931	1.4
489.35696	2.5
503.36975	2.4
521.43359	8.5
539.44684	5.0
595.47321	14.0
613.48279	100.0
614.48126	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02382	1.4
53.03928	3.7
55.05513	21.7
57.03431	5.6
57.07066	5.1
62.81115	1.4
65.03938	3.3
67.05507	63.9
69.07073	20.6
70.61840	4.4
71.04958	1.6
79.05496	35.3
81.07057	69.9
83.08621	11.9
85.06562	1.6
91.04921	1.7
91.05486	26.8
93.07047	44.7
95.04952	4.1
95.08613	54.0
97.06536	1.8
97.10183	4.8
99.08086	2.1
105.07033	28.6
107.08598	29.7
109.10159	25.3
115.05479	1.7
117.07024	13.8
119.08591	23.8
121.10152	18.4
123.11685	10.9
129.07027	5.3
131.08580	22.9
133.10129	24.2
135.11696	14.7
137.13304	4.6
143.08574	4.5
145.10135	21.5
147.11685	16.8
149.13310	9.2
155.08458	1.7
157.10144	7.1
159.11685	16.5
161.13251	13.7
163.11169	2.0
163.14890	4.0
169.10223	2.4
171.11720	6.0
172.85199	1.3
173.13301	12.2
175.14819	6.9
183.11795	1.9
185.13312	5.7
187.14806	7.1
191.17917	2.0
197.13248	2.9
199.14890	4.0
201.16420	5.5
203.18066	2.5
213.16451	3.1
215.17896	3.7
217.19582	2.3
225.16429	1.7
229.19501	3.2
241.19499	4.2
243.21025	1.8
247.20662	1.8
259.20551	7.3
261.22098	12.0
273.22006	1.9
299.23691	2.0
313.25632	2.1
317.24893	2.1
333.24362	5.7
335.25793	16.2
337.27438	8.0
362.95038	1.6
365.60168	1.5
489.35779	1.9
517.39252	2.3
521.43298	7.4
539.44647	4.0
543.40271	1.7
595.47266	12.5
613.48224	100.0
614.48541	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	614.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03944	1.0
55.01882	0.2
59.85730	0.2
66.24880	0.1
69.03413	0.2
70.06596	0.3
71.16775	0.2
71.17104	0.2
77.03896	0.3
79.05493	1.2
84.04505	0.2
85.02912	1.2
95.04980	0.9
96.15933	0.2
97.02897	0.4
101.96840	0.2
104.65263	0.2
105.04527	0.5
107.04959	100.0
108.05301	0.5
120.08130	0.6
120.19936	0.2
127.03913	0.4
133.45186	0.2
139.14925	0.2
145.04933	0.3
145.09206	0.2
149.05991	0.2
163.06061	0.2
166.08746	0.2
167.07004	0.2
179.07063	0.5
180.08679	0.2
494.60846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60992	6.3
53.03937	7.8
54.95400	5.8
55.01874	7.2
55.05515	50.8
57.03434	16.0
57.07066	16.7
66.03156	5.3
67.05510	88.5
68.05843	5.0
69.03426	9.0
69.07066	45.3
69.28580	37.6
69.28983	13.1
71.04981	9.4
75.83942	6.2
78.38940	5.5
79.05485	59.8
81.03424	88.1
81.07057	100.0
82.07370	9.7
83.05003	8.6
83.08604	35.5
85.06544	12.2
89.06027	58.9
91.05487	40.1
93.07046	70.4
95.04959	27.7
95.08611	92.8
96.08953	8.6
97.06534	10.4
97.10192	16.4
105.07040	52.1
107.04933	14.1
107.08598	39.5
108.08906	7.5
109.06513	8.8
109.10162	43.5
111.08076	15.7
117.07050	15.7
119.08579	46.3
121.06549	6.7
121.10157	35.2
123.11697	17.6
125.05993	6.8
125.09641	13.4
125.39864	5.6
129.07010	18.1
131.08589	32.1
133.08595	31.6
133.10097	35.6
134.10490	7.4
135.08049	9.8
135.11697	15.4
137.06041	6.0
137.09653	8.0
142.07788	12.6
143.08588	16.4
145.10138	28.7
147.07983	8.6
147.11684	24.5
150.09988	6.6
151.07516	6.7
151.11186	7.6
157.10130	25.9
159.11697	20.0
160.11984	5.9
161.09673	9.5
161.13280	13.3
163.11206	8.7
166.88626	5.8
169.10123	10.3
171.11751	6.5
175.11212	13.3
175.14757	6.2
177.11237	12.0
181.12248	7.5
183.11705	6.3
185.13255	7.7
187.14894	7.0
193.12238	25.1
267.15897	98.9
320.15012	7.4
337.27435	97.7
338.45996	5.8
352.23926	9.1
384.23175	7.7
415.25006	12.2
437.34042	6.8
529.39038	75.7
536.43622	7.3
538.76190	7.6
547.39972	31.3
614.30756	11.7
614.48761	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01863	4.2
55.05512	26.1
57.03436	3.6
57.07079	11.2
60.53101	2.1
67.05505	30.9
69.03427	9.1
69.07068	41.9
70.06586	4.0
70.81328	2.8
71.05002	3.3
79.05490	25.3
81.03419	3.6
81.07056	100.0
83.04988	15.3
83.08630	14.4
85.02908	22.3
85.06538	12.4
89.14290	2.3
91.05473	19.8
93.07043	51.7
95.04964	4.0
95.08611	83.8
97.02896	6.2
97.06548	7.7
97.10171	7.0
99.04388	2.1
99.08102	8.8
103.05482	3.2
105.07028	32.7
105.47130	2.0
107.04963	33.7
107.08591	45.2
108.05289	2.8
109.02921	3.4
109.06506	9.9
109.10153	37.0
111.08029	11.1
111.11720	3.0
117.07016	4.6
117.11386	2.0
119.08585	39.6
121.06506	7.7
121.10141	42.9
123.08065	41.4
123.11726	21.8
125.09637	4.7
127.03846	4.0
127.11217	5.1
129.07014	5.3
131.04897	4.4
131.08578	12.2
133.06500	3.1
133.10123	26.9
135.08044	22.3
135.11682	30.7
137.05962	7.4
137.09616	8.6
137.13231	11.0
139.07521	5.0
139.11127	2.7
142.07753	3.8
143.08553	10.9
144.09303	3.8
145.10120	17.6
147.08041	4.3
147.11690	26.2
149.09602	16.2
149.13272	22.5
151.03918	2.8
151.07590	4.7
151.11185	5.9
151.14827	3.0
153.12767	2.9
156.09317	4.2
157.10132	26.2
159.11729	21.6
161.05983	2.1
161.09598	12.6
161.13243	23.2
163.07645	2.2
163.11201	13.5
163.14822	8.4
165.09157	3.5
165.12761	7.6
167.07030	4.1
169.10135	4.4
171.11687	18.2
173.09521	3.1
173.13293	13.5
175.11229	18.6
175.14822	7.1
177.09081	3.3
177.12802	16.5
177.16443	3.1
179.10684	5.4
179.14311	5.2
181.12210	2.9
183.11722	6.5
185.13225	7.8
187.11168	6.8
187.14818	7.1
189.12738	27.1
189.16389	3.9
191.14348	7.6
191.17892	2.2
193.12344	2.7
195.11765	3.0
195.13704	2.5
197.13249	5.1
199.14749	3.5
201.12762	2.8
203.14323	14.1
203.17958	4.4
205.19505	3.3
207.13835	3.7
211.14850	6.8
213.16313	4.7
215.14388	4.7
215.17873	3.5
217.15981	4.6
217.19548	2.8
219.17459	2.8
221.19136	2.8
227.17979	3.0
229.15895	5.0
229.19472	2.8
231.17427	8.9
233.19052	3.1
239.17999	5.4
243.13866	2.9
243.17451	8.4
245.18977	15.2
247.20488	5.2
255.17436	4.6
257.19073	16.6
257.21463	2.7
259.20551	4.0
261.18600	3.5
263.20081	6.0
269.18921	3.4
271.20786	4.1
271.24188	4.2
273.18646	3.1
275.20102	9.4
275.23465	2.0
277.21799	2.4
289.22119	3.3
289.25287	8.8
297.22180	2.4
299.23688	3.9
381.31580	26.1
399.32568	69.7
417.33670	65.8
421.05502	23.0
435.34668	20.4
453.35995	4.4
526.67871	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	615.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64591	2.3
53.03952	7.3
55.01863	3.3
55.05514	23.9
56.16573	2.3
57.03440	4.7
57.07058	7.5
59.05011	2.6
61.02913	1.9
65.03954	2.6
67.05508	35.3
69.03432	9.7
69.07073	51.7
69.65832	13.8
70.06593	2.7
71.05000	4.0
71.08612	2.8
75.11069	2.1
76.43360	2.3
77.14503	2.0
79.05489	23.8
80.77301	2.2
81.03422	4.3
81.06592	5.2
81.07059	100.0
83.05003	11.5
83.08636	14.2
85.02914	19.4
85.06552	10.5
86.09705	4.7
91.05490	17.3
93.06489	3.7
93.07052	49.1
95.04985	5.8
95.08611	81.4
97.02908	8.1
97.06528	8.6
97.10169	6.6
98.21500	3.7
99.04436	2.3
99.08081	9.0
103.05492	2.3
105.07034	36.6
107.04961	34.4
107.07883	3.8
107.08598	63.4
109.02888	3.3
109.06513	9.9
109.10160	52.0
111.04431	2.7
111.08072	9.9
111.11666	2.4
117.07044	5.5
119.08572	39.3
121.06510	6.2
121.10150	42.0
123.08064	48.1
123.11703	23.4
125.09640	3.3
127.03924	4.9
129.07021	4.2
131.04942	3.4
131.08595	9.3
133.06512	3.1
133.10139	26.6
135.08058	17.4
135.11703	32.5
137.05994	5.7
137.09584	12.1
137.13249	13.3
139.07555	4.3
142.07756	3.6
143.08556	10.1
145.10129	20.6
147.08006	4.7
147.11700	22.8
149.09634	11.4
149.13231	21.0
150.42867	2.4
151.07518	6.6
153.12737	3.4
156.09384	5.6
157.10141	25.3
159.11722	21.4
161.09647	12.9
161.13281	25.5
163.11189	12.8
163.14818	8.7
165.12770	10.2
165.16354	3.1
167.10680	3.1
169.10127	4.7
171.11678	15.2
173.09610	4.6
173.13266	13.3
174.62180	2.6
175.11168	13.0
175.14812	7.6
177.12749	18.4
179.10684	2.6
179.14349	6.0
181.12227	3.7
183.11699	5.5
185.13257	9.0
187.11168	8.5
187.14804	6.7
189.12753	25.9
189.16292	2.5
191.14290	10.6
193.12181	2.8
195.13762	3.2
197.13165	2.8
199.11243	3.0
199.14763	4.1
201.12747	5.7
203.14362	14.6
203.17804	3.5
205.19464	3.2
207.13826	3.5
209.19026	3.3
211.14896	6.4
213.16463	4.3
215.14330	4.0
215.17960	3.2
217.15964	3.5
223.20587	4.0
225.16400	2.8
227.14293	3.0
227.18025	6.9
229.15877	5.0
231.17453	11.2
233.18997	6.3
235.17038	2.9
239.17943	5.7
241.21693	4.9
243.13741	2.7
243.17479	5.3
245.19070	13.5
247.20564	5.0
255.17398	5.6
257.18991	14.6
261.18576	5.1
263.20200	5.6
271.20636	3.3
271.24274	4.9
273.18536	3.9
275.20090	9.6
289.25195	4.5
319.26761	2.4
327.85828	2.2
381.31503	29.1
399.32584	77.0
400.33084	3.5
417.33652	72.7
418.33911	3.1
421.05545	26.0
435.34741	21.0
453.35632	5.4
542.83850	2.6
615.29059	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	615.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
55.05509	16.6
57.07079	10.4
59.05008	18.0
65.03952	3.3
67.05504	30.4
69.03436	8.1
69.07065	17.1
71.04987	2.9
71.08654	3.1
71.48912	2.2
71.49281	2.6
73.06554	5.6
79.05496	26.8
81.07064	43.6
83.05003	7.3
83.08642	7.8
85.06551	17.0
89.06026	6.2
91.05486	50.6
91.06021	3.3
93.07040	64.5
95.04978	12.3
95.08613	51.0
95.09184	3.9
97.06570	5.1
99.08107	4.7
103.05498	2.5
105.04549	4.5
105.07036	72.8
107.04975	4.1
107.08595	40.1
107.09305	3.0
109.05801	2.5
109.06522	9.5
109.10143	27.7
111.08104	6.7
115.05447	5.2
117.07039	14.7
119.08591	73.4
121.06567	8.4
121.10143	40.2
123.08069	38.7
123.11752	6.5
125.06036	6.3
125.09637	16.5
128.06238	6.2
129.07037	9.2
130.07790	4.8
131.08565	33.5
133.06514	4.6
133.08630	5.4
133.10133	58.9
133.11079	3.4
135.08061	16.0
135.11691	19.3
136.10623	2.9
137.09627	14.0
141.06978	5.2
142.07851	10.1
143.08572	22.6
144.09358	4.3
145.10130	39.9
147.08087	15.1
147.11693	21.0
149.09674	10.1
149.13301	3.6
151.07549	41.5
151.11197	12.6
155.08574	8.5
156.09377	9.9
157.10156	32.1
158.10979	6.6
159.08130	3.7
159.11702	24.2
161.09636	13.7
161.13298	8.9
163.11192	17.7
165.07109	5.2
165.07680	3.7
165.09117	41.9
167.08580	3.3
168.09366	3.3
169.10130	15.7
170.10884	3.6
171.11649	19.8
173.09697	6.1
173.13274	18.3
174.10506	3.5
175.11249	7.2
175.14841	15.8
177.12801	6.8
179.08557	3.4
179.14348	3.3
180.09265	2.3
181.10178	7.7
181.12289	14.0
182.10938	5.8
183.11658	12.2
183.13879	3.9
185.09734	4.5
185.13217	12.2
187.11223	5.9
187.14865	8.4
189.12781	12.4
189.97865	2.4
191.14371	7.1
193.10214	4.6
193.12288	5.5
194.10968	6.6
195.11742	10.9
196.12556	4.1
197.13254	14.2
199.11272	4.9
199.14934	6.9
201.01534	2.5
201.12769	5.0
201.16437	4.4
203.14296	17.9
205.15901	4.3
206.11008	5.7
207.11772	8.3
207.13884	17.2
208.12436	3.3
209.13370	11.7
209.15321	4.2
211.13264	10.3
211.14969	7.0
213.12747	2.7
215.14355	5.0
218.45462	2.4
220.12399	3.2
221.13283	9.1
221.15346	89.8
223.14993	5.9
223.17007	12.4
225.12900	4.3
233.13248	4.9
233.15355	4.2
235.14909	6.0
237.16414	5.4
243.13820	2.7
249.18744	3.4
251.16431	6.3
257.91415	2.6
259.14899	3.5
259.20865	3.3
263.17908	4.6
265.19696	2.7
267.17523	3.0
283.20532	3.3
286.19617	5.1
287.20200	6.0
291.88715	2.5
299.20163	7.1
331.23096	3.2
375.26944	5.8
403.29913	4.3
425.30463	2.7
430.28677	3.5
439.32001	3.2
491.35205	6.4
565.40619	5.5
582.62903	3.0
583.41479	23.7
597.43250	11.1
615.44189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01868	1.2
55.05271	1.6
55.05516	20.4
57.03443	5.0
57.07076	5.3
65.03935	2.4
67.05511	51.4
68.05852	1.7
69.03385	1.0
69.07072	25.4
69.14561	11.8
71.04969	1.6
71.08630	1.7
79.05497	31.3
80.05831	1.2
81.07064	57.1
82.07406	2.7
82.54128	1.1
83.04969	1.1
83.08627	12.3
85.06537	2.4
85.10204	1.6
91.05487	24.5
93.07053	38.2
94.07382	2.5
95.04977	2.4
95.08616	47.3
96.08965	1.9
97.06533	3.2
97.10184	6.2
99.08085	1.9
105.07043	23.9
107.08596	22.5
108.08958	1.9
109.06518	2.2
109.10171	21.4
111.08102	1.4
111.11691	1.4
113.09659	1.3
115.05448	1.6
117.07019	7.0
119.08589	23.8
121.10154	18.1
123.08063	1.4
123.11701	8.9
125.09617	1.3
129.07028	2.5
131.08568	14.0
133.10138	15.6
135.11716	13.3
137.09653	1.5
137.13274	3.1
143.08592	3.0
145.10139	13.6
147.11728	10.3
148.12073	1.6
149.09660	1.4
149.13300	8.2
157.10175	4.9
159.10555	1.5
159.11691	9.1
161.13264	7.3
163.14868	4.4
171.11719	3.2
173.13301	8.4
174.04118	1.1
175.14853	4.0
177.16489	1.7
185.13326	3.5
187.14911	4.2
189.16426	2.9
191.14447	1.4
191.17999	1.7
201.16380	3.1
203.18073	1.5
205.15808	1.1
213.16518	2.0
215.17906	1.1
217.19528	1.1
219.21039	1.4
225.16301	1.1
227.18040	2.0
233.22704	1.2
241.19708	1.2
243.21144	2.9
245.22830	1.1
247.20773	1.9
259.20697	5.4
259.24393	1.2
260.20923	1.3
261.22208	7.7
263.23724	1.6
273.22192	1.3
275.23636	1.6
287.23889	2.6
297.97156	1.1
317.24561	1.2
333.24356	3.4
335.25873	7.2
336.26404	1.5
337.27414	10.0
338.27975	1.1
339.28961	3.4
347.25507	1.1
380.17303	1.1
473.42728	1.1
491.37561	1.3
491.89011	1.2
510.13776	1.0
523.45007	6.3
541.46136	4.6
549.08771	1.1
597.48700	12.7
615.49756	100.0
616.50360	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	615.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.05271	1.7
55.05515	22.4
57.03447	6.4
57.07078	8.7
65.03923	3.5
67.05506	52.4
69.07070	26.8
69.82459	5.5
71.04984	2.3
71.08637	2.6
77.03958	1.1
79.05495	33.6
81.03401	1.3
81.07059	62.4
82.43388	0.9
83.04965	2.2
83.08624	13.5
85.06551	2.4
85.10194	2.1
91.05482	21.3
91.22533	1.0
93.07046	41.7
95.04975	2.1
95.08607	53.1
97.06544	3.7
97.10183	8.8
98.21440	1.4
99.08081	2.0
99.27639	1.0
100.88544	1.0
105.04496	1.2
105.07035	25.6
107.08590	25.3
109.10162	24.6
111.08071	2.8
111.11741	3.2
113.09624	2.1
117.07008	7.1
119.08582	25.1
119.09380	2.0
121.10149	20.3
123.11701	10.5
125.09636	1.7
129.06995	2.6
131.08569	15.2
133.10141	17.2
135.11679	14.5
137.13261	3.4
141.07005	1.3
143.08606	3.8
145.10129	13.4
147.11693	15.0
149.09618	1.4
149.13248	10.3
151.14856	2.6
153.12785	1.4
155.08577	1.2
155.41205	1.1
157.10149	4.9
159.11734	7.7
161.13229	8.5
163.14801	6.2
165.16351	1.2
165.25665	1.1
169.10136	1.1
171.11691	3.7
173.13206	8.2
175.14845	5.8
177.16402	3.0
183.11705	2.1
185.13312	3.7
187.14792	4.9
189.16425	3.3
191.17987	1.9
199.14848	2.8
201.16417	1.7
203.17938	2.5
205.19630	3.1
213.16486	1.5
215.18011	2.1
217.19516	1.2
219.21080	2.4
220.78276	1.2
233.22606	1.1
241.19585	2.2
243.21156	2.7
245.22794	1.6
259.20642	5.3
261.22101	12.2
263.23715	1.4
271.20309	1.1
273.22156	1.1
275.23730	1.6
287.23883	1.4
295.50751	1.1
297.24554	1.2
305.21289	1.1
311.21948	1.0
313.25677	1.4
317.24707	3.4
317.28421	1.7
333.24207	2.6
335.25864	8.7
337.27332	14.6
339.29074	4.7
343.26385	1.3
352.28656	1.1
357.31702	1.5
517.38824	1.3
523.44952	7.4
531.40363	1.9
541.46356	4.3
545.41998	1.2
597.48865	16.4
615.49786	100.0
616.49933	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.1
58.28299	0.8
67.75434	0.7
70.06592	91.1
71.09232	0.9
71.48035	0.9
72.08159	1.2
74.06075	3.2
84.04500	5.4
85.02909	1.7
86.09703	0.9
101.07153	1.1
102.05522	2.2
107.04956	1.6
112.07603	100.0
130.05003	2.7
140.07063	67.3
147.04372	1.7
149.67043	0.8
157.09741	18.3
157.10973	1.5
168.06544	1.0
194.09346	1.0
203.10336	1.9
213.08643	5.2
231.09712	4.8
240.13435	4.9
265.73853	0.9
268.12927	22.2
314.13309	0.9
325.15079	2.3
332.14551	10.9
341.18210	2.4
350.15570	1.7
351.16623	21.8
352.15009	1.2
369.17706	13.2
381.03156	0.9
480.21082	9.1
581.25623	4.6
582.23688	2.6
599.26666	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	617.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03932	2.9
54.24706	1.1
55.01875	1.6
55.05513	7.8
57.03434	1.3
57.07058	4.0
59.05000	1.3
65.03954	1.3
67.05515	12.9
69.03447	5.9
69.07083	6.6
70.98904	2.4
71.04993	2.2
79.05503	9.5
81.03419	2.0
81.05803	1.2
81.07056	13.7
81.60696	1.3
83.04967	3.3
83.08637	5.9
85.02901	2.4
85.06543	1.5
85.48135	1.2
87.04472	2.4
89.06008	4.7
91.05480	12.8
93.06503	1.3
93.07052	17.2
95.04975	6.9
95.08611	13.5
97.06535	2.8
97.10133	2.1
103.05442	1.6
105.04491	1.5
105.07039	17.3
106.92722	1.3
107.04962	100.0
107.08591	13.8
109.06525	4.2
109.10165	8.3
109.25924	1.3
111.08067	1.3
115.05424	1.4
117.07006	6.1
119.04914	4.1
119.08602	12.9
121.06521	9.7
121.10153	15.3
123.08050	4.2
123.11692	3.2
125.09631	2.7
128.06181	3.9
129.07021	5.8
131.04936	76.4
131.08583	8.3
133.06512	10.1
133.08580	3.4
133.10136	9.8
135.08031	3.7
135.11694	4.9
137.06007	5.3
137.09608	2.8
139.11163	1.9
141.06978	3.5
142.07791	3.2
143.08542	7.6
144.05707	1.8
145.06482	12.5
145.10120	9.6
147.04390	1.2
147.08064	10.1
147.11696	4.3
149.05943	1.3
149.09598	5.2
149.13141	1.6
151.07535	3.8
155.08531	4.7
156.09312	1.5
157.06520	14.1
157.10126	8.2
159.08101	9.0
159.11708	4.8
161.05920	2.1
161.09624	3.9
163.11203	2.5
165.07013	1.8
165.09076	3.8
167.08546	4.3
167.10699	10.5
168.09320	1.2
169.06487	4.8
169.10129	5.3
171.08051	10.0
171.11671	2.9
173.06015	6.4
173.09654	5.2
173.13214	3.7
175.07527	1.8
175.11180	4.7
179.08511	2.4
180.09238	1.4
181.06505	5.6
181.10101	3.0
181.12222	2.8
182.07285	1.5
183.08064	6.7
183.11691	3.7
185.09653	8.1
185.13216	1.8
187.07623	1.8
187.11234	2.8
189.12724	1.4
193.10173	1.9
195.08063	4.1
195.11731	3.4
197.05969	3.6
197.09665	4.8
197.13255	3.5
199.11166	5.6
199.14854	1.4
201.12743	3.9
203.14264	2.5
207.08102	1.8
207.11755	2.5
207.13617	1.4
208.12422	1.6
209.09682	3.0
209.13284	2.6
211.11195	3.7
211.14838	1.6
213.09082	2.5
213.12788	4.8
215.07062	2.9
215.14349	1.9
221.09558	2.0
221.13390	2.1
221.15341	7.2
223.11151	2.0
223.14731	2.6
225.12724	3.5
227.14365	2.4
233.08011	1.7
233.15372	3.5
235.11166	2.1
237.09081	4.3
237.12791	2.1
239.14301	2.5
247.16975	1.4
251.10919	1.4
251.14322	1.8
255.17451	1.9
267.17566	1.6
275.10556	1.6
287.20264	1.8
289.11960	1.5
291.22943	1.6
299.20020	1.4
300.20761	2.2
311.19656	1.5
363.23239	2.0
365.24649	4.2
379.26349	3.3
389.24393	1.7
391.26266	3.5
449.27634	1.5
497.30469	5.8
511.30966	1.4
539.31232	1.9
557.32300	1.5
563.31427	3.4
581.32312	4.6
599.33337	3.6
599.41296	2.2
617.32800	8.0
617.41876	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	617.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
51.25555	0.6
53.03948	3.3
53.83701	0.7
55.01871	1.3
55.05506	4.3
57.03435	1.5
57.07067	1.4
62.02643	0.6
66.77417	0.6
67.05511	7.7
69.03419	2.9
69.07063	3.3
70.35181	2.6
73.02904	0.7
79.05494	5.5
81.03403	2.9
81.07058	6.8
83.05036	0.7
83.08634	1.6
85.02903	1.5
91.05478	7.2
93.07043	5.3
95.04975	3.5
95.08611	5.3
97.02904	0.9
97.06507	0.9
97.10186	0.7
99.04483	0.9
103.03944	2.1
103.05457	2.0
105.04525	1.0
105.07011	6.0
107.04956	100.0
107.08585	3.7
109.06492	0.8
109.10145	2.6
111.04411	0.8
115.05434	1.2
117.07025	2.9
119.04951	2.4
119.08578	4.8
121.06506	7.2
121.10165	3.4
123.08056	1.5
123.11728	1.1
125.09619	1.1
128.06258	1.6
129.07016	3.1
131.04927	81.9
131.08574	2.8
132.05270	0.8
133.06514	7.6
133.10110	2.4
135.04388	0.7
135.08049	1.6
135.11684	1.0
137.05995	2.1
141.06998	3.1
142.07770	1.5
143.08559	2.9
144.05702	3.0
145.06474	9.8
145.10098	3.4
147.04430	1.3
147.08046	5.8
147.11537	1.0
149.09619	1.2
151.07458	0.7
153.07059	1.2
155.08562	1.9
157.06487	12.8
157.10162	2.5
158.07225	1.2
159.08047	4.9
159.11671	1.1
161.05969	0.8
161.09645	2.8
165.06993	1.6
167.08614	1.4
169.06473	4.5
169.10101	1.3
170.07201	0.9
171.04402	0.9
171.08017	9.7
171.11659	1.1
173.05991	7.0
173.09631	3.2
173.13252	0.8
175.11200	1.4
175.14760	0.9
179.08569	2.4
181.06496	4.1
181.10052	1.4
181.12273	1.2
182.07332	0.9
183.08083	6.5
185.05994	1.0
185.09631	6.5
185.13293	1.3
187.07486	1.0
187.11221	2.3
189.12875	0.9
193.10101	1.3
194.07259	1.1
195.08008	4.5
195.11781	1.1
197.05992	2.5
197.09634	6.4
197.13293	1.5
199.07620	2.2
199.11205	6.3
201.12769	1.4
203.07024	1.0
207.08015	1.7
207.11748	0.9
208.08908	0.8
209.09653	3.0
209.13203	1.1
211.07561	1.1
211.11220	2.8
213.09151	1.9
213.12770	3.5
215.07019	2.9
215.14374	1.4
219.07968	1.4
221.09602	1.3
221.15335	3.7
223.07643	1.3
223.11192	3.0
225.12715	3.3
227.14319	1.7
229.15918	0.9
231.07913	0.7
233.13194	0.7
233.15385	1.0
235.11137	1.4
237.09212	3.7
237.12634	1.0
239.14340	2.9
241.15939	1.1
247.07458	1.0
249.12856	1.0
251.14348	1.9
253.15826	1.2
255.11322	0.6
263.10550	0.9
263.14478	1.2
265.12454	0.7
265.15720	0.7
267.17526	1.4
271.07712	0.8
275.10678	1.1
275.14816	0.8
281.15430	0.9
281.18988	0.8
291.13782	1.3
293.15430	1.1
295.17236	0.7
309.18500	0.8
321.18738	0.9
331.16873	1.2
335.20111	1.0
351.26904	1.7
363.23050	1.1
365.24896	4.3
377.24719	0.8
379.26282	1.9
389.24637	1.4
391.26254	1.3
403.26385	1.1
407.25717	1.3
497.30524	6.8
511.30396	1.1
539.31580	2.3
557.32892	0.8
563.31445	2.2
581.32416	3.7
599.33221	3.5
617.34045	6.9
617.42395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.6
55.01863	9.9
55.04056	7.1
55.05511	50.6
57.07067	15.9
63.73547	6.3
65.03944	7.6
67.05512	56.0
69.03417	23.5
69.07068	29.6
71.04975	10.2
71.49113	8.9
79.05499	54.2
81.03411	6.6
81.07049	82.9
83.04988	37.6
83.08620	38.1
85.06570	12.3
91.05473	90.5
93.07049	100.0
95.04982	40.8
95.08602	56.9
97.06518	28.7
99.04498	7.4
100.21621	7.3
103.05479	12.3
105.07033	100.0
105.92195	8.3
107.04962	41.4
107.08590	92.3
107.91372	8.1
109.06545	22.1
109.10150	34.6
111.08170	8.9
117.07002	32.9
119.08583	82.0
121.06487	25.5
121.10137	90.9
123.02364	8.7
123.08053	27.0
123.11741	16.6
125.05987	26.6
125.09621	12.4
128.06253	17.6
129.07024	27.1
131.04956	25.1
131.08568	54.4
133.06473	9.5
133.10152	48.6
135.08018	22.4
135.11687	14.0
137.09604	12.1
139.11179	15.3
141.07074	9.3
142.07756	38.2
143.08536	42.9
144.09302	15.5
145.10107	79.9
147.08080	25.2
147.11691	26.4
149.09636	20.8
151.07558	15.0
155.08519	26.8
156.09381	19.3
157.10147	75.9
158.10863	12.4
159.08047	32.5
159.11729	46.7
161.09555	13.9
161.13261	12.4
163.11147	40.2
165.09120	20.1
167.08627	13.2
167.10663	84.1
169.10124	32.3
171.11726	29.8
173.09583	10.1
173.13266	17.2
175.11165	14.7
177.12746	8.0
181.10132	19.6
181.12273	26.7
183.11671	34.1
185.13214	21.0
187.14822	9.3
189.12694	14.3
193.10109	22.8
194.10841	14.5
195.11691	33.9
197.13289	24.0
199.14726	15.4
201.12761	13.3
203.14291	14.7
207.11682	21.3
207.13704	9.9
209.13330	23.3
211.14795	13.9
213.12750	11.3
221.13374	17.4
221.15355	52.6
223.14801	24.8
225.12715	11.8
233.15359	27.6
239.14400	9.8
255.17641	9.2
263.99902	7.9
269.19046	10.4
274.27835	7.3
299.20233	10.5
311.20117	9.1
349.27792	8.4
424.31885	9.3
430.81195	7.7
576.15979	8.3
599.40851	17.4
617.41913	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05269	2.8
55.05513	26.4
57.03431	10.5
57.07079	49.0
67.05190	3.7
67.05510	52.0
69.03426	3.5
69.07072	25.6
71.04987	3.0
71.08632	31.3
71.15783	4.2
79.05494	37.8
81.06596	3.9
81.07060	58.0
83.05009	2.6
83.08619	12.2
85.10201	16.3
87.04472	3.7
88.06922	2.3
91.05482	61.4
93.07050	47.2
95.04990	2.2
95.08610	51.5
97.10171	8.5
99.08085	3.7
103.07596	2.8
105.07041	68.2
107.08598	31.7
109.10163	23.4
111.08106	2.7
111.11724	4.3
115.66944	2.3
115.96126	2.4
117.07010	17.1
119.08582	59.9
121.10156	25.2
123.11691	9.1
125.09592	6.3
128.06215	2.7
129.07031	12.3
131.08574	28.5
133.10133	44.5
135.11719	20.9
137.13225	3.6
143.08551	10.8
145.10130	24.6
147.11696	49.5
149.09602	2.2
149.13239	11.8
157.10127	7.8
159.11690	24.0
161.13269	40.8
163.11212	3.5
163.14842	4.2
171.11708	17.7
173.13261	13.2
175.14832	15.1
185.13264	12.3
187.14792	5.1
189.16417	3.0
199.14880	7.6
213.16319	4.5
221.73770	2.8
231.17615	3.2
231.21114	13.0
241.19505	44.6
259.20587	100.0
267.26639	3.2
277.21735	3.2
315.23141	8.5
333.24222	45.4
341.30530	95.5
342.77066	2.2
351.25406	3.6
515.78699	2.6
599.50464	7.6
617.50903	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.3
55.05509	46.8
56.81077	4.8
57.07064	22.4
65.03949	5.3
67.05493	29.3
69.03432	7.8
69.07066	21.9
69.20508	12.8
69.20913	44.4
70.06580	5.9
71.04990	7.5
74.71852	4.8
79.05489	37.2
81.07056	55.3
83.04970	13.5
83.08627	74.3
85.06539	8.1
87.04469	78.8
91.05483	58.3
93.07047	61.6
95.04976	26.4
95.08601	41.3
97.06535	25.1
98.20800	11.3
104.35979	5.7
105.07037	100.0
105.96288	5.9
107.04965	15.5
107.08589	70.6
109.06516	18.9
109.10201	26.8
111.08063	5.8
117.07028	26.5
119.04946	6.8
119.08576	89.3
121.06512	23.5
121.10127	39.1
123.08079	33.9
125.05984	6.6
125.09629	22.6
128.06221	11.2
129.07005	18.5
130.07819	6.1
131.08565	57.3
133.06491	5.6
133.10150	42.0
135.08063	15.4
135.11732	9.9
137.09601	18.1
139.11189	14.2
142.07790	18.6
143.08595	37.5
144.09312	10.6
145.06519	7.5
145.10127	86.2
147.08067	16.2
147.11705	20.1
149.09650	9.2
151.07550	10.1
155.08565	24.6
155.10732	15.5
156.09309	12.8
157.10144	65.1
158.10915	9.1
159.08095	7.2
159.11688	45.7
160.08865	18.7
161.09584	13.7
161.13274	13.2
163.11191	7.0
165.09155	17.7
165.12735	6.4
166.07794	6.4
167.08548	8.7
167.10616	7.7
169.10120	38.6
170.10847	10.8
171.11699	25.5
173.09601	6.6
173.13199	15.8
175.11189	14.4
179.08560	11.7
180.09309	6.7
181.10144	17.0
181.12251	22.8
182.10872	9.6
183.11708	26.5
184.12524	9.0
185.13261	14.1
187.14854	11.6
189.12764	10.9
193.10103	7.4
194.11015	6.8
195.11728	13.4
196.12460	6.8
197.13292	30.8
199.14839	17.1
201.12723	6.2
203.14325	10.0
207.11687	16.9
207.13802	7.5
208.12589	5.8
208.14426	8.6
209.13222	21.4
211.14816	20.9
213.12581	7.8
213.16316	7.2
215.14351	11.7
221.13269	14.4
221.15392	42.3
223.14868	13.2
225.12944	6.6
225.14859	21.9
225.16722	7.9
233.13268	8.9
233.15350	14.0
234.16100	12.7
235.14777	8.5
239.17879	8.2
249.16360	10.3
261.16315	7.1
263.18106	6.5
263.45752	6.2
286.19226	8.7
287.20020	20.1
299.20105	9.6
313.21661	7.5
325.21564	9.2
337.21423	7.2
352.23950	35.1
365.24612	16.1
439.31403	5.9
538.36548	47.5
539.58893	6.0
600.41669	8.9
618.42749	30.8
619.42328	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01867	7.1
55.05507	55.8
57.07071	18.2
58.76794	3.1
59.04991	4.7
65.03941	4.7
67.05505	32.7
69.03423	6.5
69.07070	17.3
69.15608	12.9
69.16034	22.1
71.04976	11.1
74.43224	3.4
75.54030	3.1
77.68559	3.8
79.05494	48.3
80.06270	3.8
81.07050	65.2
83.04980	12.3
83.08620	89.2
85.02936	3.5
85.06525	8.5
87.04475	58.5
91.05486	57.0
93.07052	78.1
95.04576	2.8
95.04975	27.8
95.08606	39.7
97.06529	26.8
99.04440	10.0
103.05469	4.7
105.07030	100.0
107.08596	79.6
109.06517	19.0
109.10156	35.0
111.08039	7.5
113.06010	3.7
113.09627	7.3
115.05457	6.6
117.07014	27.2
119.08586	97.3
120.09340	5.5
121.06509	16.2
121.10146	56.7
123.08083	46.4
123.11673	9.7
125.05977	7.2
125.09672	17.0
127.58791	3.7
128.06187	10.8
129.07005	30.9
129.09071	3.7
130.07762	9.7
131.08572	63.5
133.10126	60.5
135.08057	9.1
135.11668	14.0
136.08733	3.7
137.09595	14.3
139.11177	13.8
141.06944	14.3
142.07794	28.9
143.08575	50.3
144.09332	13.0
145.06461	8.1
145.10123	94.1
146.10872	4.9
147.08044	18.1
147.11693	37.1
149.09616	12.9
149.13316	4.9
151.07549	6.2
151.11150	5.2
155.08580	21.4
155.10640	19.1
156.09357	25.3
157.10136	67.9
158.10889	12.1
159.08090	18.6
159.11702	54.6
160.08818	23.0
161.09618	14.4
161.13248	7.0
163.11179	10.0
165.07011	4.9
165.09149	11.5
167.08551	9.3
167.10643	7.5
168.09348	10.7
169.10152	31.7
170.10924	12.3
171.10257	7.5
171.11665	50.2
172.12411	4.0
173.09630	9.0
173.13318	20.6
175.11205	14.9
175.14809	7.1
179.08514	8.0
179.10815	4.0
179.14337	9.4
180.09248	5.4
181.10158	18.2
181.12253	23.7
182.10875	11.6
183.11720	30.6
184.12456	8.0
185.09546	5.0
185.13284	23.0
187.11197	7.9
187.14778	9.3
189.12708	7.4
191.14330	10.0
193.10110	12.0
194.10905	10.6
195.11676	27.6
195.13559	6.5
196.12428	8.0
197.13283	31.8
198.13977	6.3
199.11259	4.5
199.14868	14.9
201.12668	6.1
201.16376	4.5
203.14313	10.4
206.10818	5.9
207.11639	13.9
207.13774	10.7
208.12509	6.1
209.13335	27.4
209.15022	5.0
210.13983	4.3
211.14832	25.6
213.12654	5.4
213.16504	4.8
215.14301	4.3
219.11731	3.9
220.12401	7.7
221.13266	12.2
221.15375	26.8
223.14763	18.2
224.15593	6.2
225.14650	28.3
225.16760	6.3
226.17020	3.7
229.15845	5.1
232.12251	4.1
233.13277	7.0
233.15349	21.1
234.16232	9.1
235.14763	8.9
237.16521	9.0
247.14754	5.1
247.17055	7.5
249.16391	8.2
251.17850	4.6
261.16354	5.8
263.17899	6.2
265.19467	7.4
271.16846	5.4
273.18561	5.2
286.19122	7.1
287.19968	12.3
289.19302	4.4
299.20053	11.2
312.21118	4.0
325.21585	6.0
351.82510	4.3
352.23923	12.0
365.24652	5.1
522.23706	4.2
538.36749	19.4
579.57446	4.3
600.41858	4.6
618.42096	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01867	7.1
55.05507	55.8
57.07071	18.2
58.76794	3.1
59.04991	4.7
65.03941	4.7
67.05505	32.7
69.03423	6.5
69.07070	17.3
69.15608	12.9
69.16034	22.1
71.04976	11.1
74.43224	3.4
75.54030	3.1
77.68559	3.8
79.05494	48.3
80.06270	3.8
81.07050	65.2
83.04980	12.3
83.08620	89.2
85.02936	3.5
85.06525	8.5
87.04475	58.5
91.05486	57.0
93.07052	78.1
95.04576	2.8
95.04975	27.8
95.08606	39.7
97.06529	26.8
99.04440	10.0
103.05469	4.7
105.07030	100.0
107.08596	79.6
109.06517	19.0
109.10156	35.0
111.08039	7.5
113.06010	3.7
113.09627	7.3
115.05457	6.6
117.07014	27.2
119.08586	97.3
120.09340	5.5
121.06509	16.2
121.10146	56.7
123.08083	46.4
123.11673	9.7
125.05977	7.2
125.09672	17.0
127.58791	3.7
128.06187	10.8
129.07005	30.9
129.09071	3.7
130.07762	9.7
131.08572	63.5
133.10126	60.5
135.08057	9.1
135.11668	14.0
136.08733	3.7
137.09595	14.3
139.11177	13.8
141.06944	14.3
142.07794	28.9
143.08575	50.3
144.09332	13.0
145.06461	8.1
145.10123	94.1
146.10872	4.9
147.08044	18.1
147.11693	37.1
149.09616	12.9
149.13316	4.9
151.07549	6.2
151.11150	5.2
155.08580	21.4
155.10640	19.1
156.09357	25.3
157.10136	67.9
158.10889	12.1
159.08090	18.6
159.11702	54.6
160.08818	23.0
161.09618	14.4
161.13248	7.0
163.11179	10.0
165.07011	4.9
165.09149	11.5
167.08551	9.3
167.10643	7.5
168.09348	10.7
169.10152	31.7
170.10924	12.3
171.10257	7.5
171.11665	50.2
172.12411	4.0
173.09630	9.0
173.13318	20.6
175.11205	14.9
175.14809	7.1
179.08514	8.0
179.10815	4.0
179.14337	9.4
180.09248	5.4
181.10158	18.2
181.12253	23.7
182.10875	11.6
183.11720	30.6
184.12456	8.0
185.09546	5.0
185.13284	23.0
187.11197	7.9
187.14778	9.3
189.12708	7.4
191.14330	10.0
193.10110	12.0
194.10905	10.6
195.11676	27.6
195.13559	6.5
196.12428	8.0
197.13283	31.8
198.13977	6.3
199.11259	4.5
199.14868	14.9
201.12668	6.1
201.16376	4.5
203.14313	10.4
206.10818	5.9
207.11639	13.9
207.13774	10.7
208.12509	6.1
209.13335	27.4
209.15022	5.0
210.13983	4.3
211.14832	25.6
213.12654	5.4
213.16504	4.8
215.14301	4.3
219.11731	3.9
220.12401	7.7
221.13266	12.2
221.15375	26.8
223.14763	18.2
224.15593	6.2
225.14650	28.3
225.16760	6.3
226.17020	3.7
229.15845	5.1
232.12251	4.1
233.13277	7.0
233.15349	21.1
234.16232	9.1
235.14763	8.9
237.16521	9.0
247.14754	5.1
247.17055	7.5
249.16391	8.2
251.17850	4.6
261.16354	5.8
263.17899	6.2
265.19467	7.4
271.16846	5.4
273.18561	5.2
286.19122	7.1
287.19968	12.3
289.19302	4.4
299.20053	11.2
312.21118	4.0
325.21585	6.0
351.82510	4.3
352.23923	12.0
365.24652	5.1
522.23706	4.2
538.36749	19.4
579.57446	4.3
600.41858	4.6
618.42096	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01889	4.3
55.05515	38.5
57.07067	14.4
59.04993	4.0
67.05505	28.7
69.03434	11.2
69.07066	15.3
69.18488	35.4
70.06580	6.6
71.04972	5.0
79.05499	40.8
81.07061	49.9
83.04977	10.2
83.08627	45.4
83.93015	3.8
85.06528	8.4
87.04449	4.4
91.05479	52.9
93.07043	67.7
94.47516	3.4
95.04957	30.1
95.08613	39.5
97.06541	19.5
98.20789	5.5
99.04442	4.8
101.12527	3.1
103.05497	3.6
105.07039	85.7
107.04958	11.7
107.08603	61.0
108.05701	4.0
109.06537	20.7
109.10175	14.1
111.08072	6.9
113.09648	4.9
115.05447	6.9
117.07034	25.1
117.07739	4.0
119.08589	80.4
121.06522	12.0
121.10145	45.6
122.10497	5.8
123.08081	32.8
123.11730	5.8
125.05999	7.1
125.09641	12.3
128.06239	12.5
129.07024	19.1
130.07809	7.4
131.04958	5.3
131.08577	50.5
132.09370	6.1
133.10129	50.2
135.08063	18.7
135.11655	7.8
137.06000	6.3
137.09634	10.8
139.07518	4.8
139.11212	6.1
141.06985	10.9
142.07793	18.7
143.08562	41.5
144.09329	11.9
145.10130	68.9
147.08061	23.9
147.11720	20.4
149.09622	20.6
151.07558	21.5
153.06940	4.8
155.08578	17.1
155.10658	6.1
156.09329	18.6
157.10132	52.3
158.07368	4.0
158.10892	8.6
159.08058	12.4
159.11713	36.3
160.08813	14.9
161.09625	14.5
161.13252	6.4
163.11140	19.7
165.06940	4.9
165.09123	30.8
165.12851	4.1
167.08557	6.2
167.10701	14.9
168.09448	6.7
168.10931	5.0
169.10136	27.2
170.10887	8.8
171.11658	32.5
172.08936	4.0
172.12465	10.0
173.09610	12.4
173.13257	17.0
174.93300	3.5
175.11185	17.6
175.14839	4.5
179.08585	10.2
181.10139	19.2
181.12184	25.0
182.10881	7.7
183.11676	21.3
184.12439	4.7
185.09631	5.3
185.13229	17.1
187.11151	9.7
187.14874	7.8
187.47116	3.4
189.12782	12.1
190.13460	7.8
191.08617	4.4
191.14340	8.3
193.10236	7.8
193.12291	10.9
194.10918	5.8
195.11786	20.9
195.13547	5.0
196.12463	4.4
197.09663	4.7
197.13283	17.8
199.11197	8.5
199.14868	6.5
201.12788	7.5
203.14270	16.7
207.11700	13.1
207.13795	14.6
208.14578	14.3
209.13324	18.4
209.15154	5.6
211.11217	4.9
211.14838	14.3
213.12802	6.2
215.14328	5.0
219.13847	7.0
221.13297	6.3
221.15340	76.6
222.15791	6.8
223.14902	10.0
224.15659	5.5
225.14644	18.7
227.18091	5.2
231.13951	5.5
233.15356	16.5
234.16121	16.1
235.14732	5.4
235.20528	3.5
237.12762	6.5
237.16493	6.6
239.17764	4.3
247.16925	15.2
249.16490	3.6
252.18739	3.7
253.15739	5.6
255.17487	7.4
259.14664	6.1
259.17136	6.3
261.16238	4.4
263.18173	5.3
271.17072	5.1
273.18594	9.4
274.19516	4.4
281.18930	5.6
285.18637	4.8
286.19336	5.0
287.20068	50.2
299.20047	9.0
300.20749	5.0
311.20172	4.3
312.21167	4.7
313.21548	6.6
325.21622	15.9
337.21741	15.0
352.23972	76.7
353.24445	5.2
365.24692	17.3
367.26215	7.8
383.25726	4.0
395.25610	9.4
438.31479	5.5
472.31937	5.5
474.03299	3.5
525.35425	11.3
538.36633	100.0
549.18848	3.9
600.41846	7.2
618.42853	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	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01871	5.4
55.05517	48.2
57.03445	2.9
57.07071	8.2
65.03938	3.2
67.05511	38.0
69.03436	10.5
69.07066	20.4
69.34105	2.7
69.85509	14.9
71.04991	10.6
79.05494	39.2
81.03413	4.9
81.07061	47.0
83.04983	21.2
83.08149	5.0
83.08623	62.5
85.02882	3.0
85.06543	8.7
87.04482	7.4
91.05486	50.1
93.07054	65.6
95.04965	26.3
95.08620	32.3
97.06541	25.0
99.04437	5.4
103.05443	8.8
104.07104	5.2
104.16756	3.0
105.07040	100.0
107.04958	7.8
107.08608	66.7
109.06527	11.8
109.10170	28.8
111.08113	9.1
113.09655	10.5
115.05435	6.3
117.07036	25.1
119.08587	83.8
120.09384	3.7
121.06522	14.0
121.10157	57.6
123.08073	17.4
123.11723	7.4
125.09661	23.2
127.23228	3.0
128.06250	16.9
129.07010	22.0
130.07782	8.3
131.08595	48.5
132.09367	5.6
133.10143	45.6
135.08072	9.6
135.11694	10.1
137.09631	7.2
139.11159	14.5
141.07021	9.5
142.07825	23.2
143.08559	44.8
144.09351	11.6
145.06502	6.4
145.09059	5.5
145.10141	73.2
147.08061	13.5
147.11694	21.1
149.09651	16.4
149.13287	3.2
151.07607	3.5
151.11156	3.1
152.05095	3.0
153.07016	5.1
154.07811	7.5
155.08582	19.2
155.10672	11.5
156.09357	25.9
157.10138	60.4
158.10925	10.0
159.08105	14.0
159.11714	37.5
160.08855	15.2
161.09648	15.8
161.13289	5.0
163.11240	6.7
165.07024	4.7
165.12813	2.8
166.07747	3.9
167.08583	13.8
167.10698	18.5
168.09326	5.7
168.11147	2.4
169.10127	34.1
169.12233	3.1
170.10902	12.3
171.10243	6.1
171.11699	39.5
172.08891	3.1
172.12393	4.8
173.09659	13.2
173.13289	18.0
175.11157	16.0
178.07899	2.7
179.08626	11.7
179.10570	3.1
179.14357	5.6
180.09460	6.5
181.10152	21.2
181.12231	22.9
182.10957	13.4
183.11699	24.4
184.12531	4.6
185.09627	7.4
185.13283	26.9
187.11215	7.5
187.14825	8.5
189.12788	4.3
190.13591	3.9
191.14313	10.1
192.09332	5.4
193.10168	13.6
194.10945	11.7
195.11708	31.9
196.12508	7.4
197.13292	46.0
199.11238	10.7
199.14790	13.3
201.12679	5.1
201.16283	3.4
203.14339	8.1
205.10127	3.6
206.10893	8.2
207.11687	18.8
208.12480	10.5
208.14500	4.3
209.13316	28.1
209.15187	5.3
210.14037	7.3
211.11153	3.6
211.14835	20.2
212.15457	4.3
213.12740	8.1
213.16341	8.2
215.14281	18.6
217.10184	3.0
219.11813	4.2
220.12506	6.2
221.13217	13.3
221.15404	25.4
223.14932	14.6
225.12701	7.0
225.14723	6.6
225.16602	6.7
227.14345	6.7
229.15933	3.9
230.10887	4.3
231.11710	4.3
231.17528	3.7
232.12544	3.7
233.13208	7.2
233.15364	40.4
234.13879	4.1
234.16130	4.4
235.14813	8.8
237.16374	11.9
239.14375	4.5
241.15770	3.3
245.13336	5.7
247.14833	7.3
247.17009	6.1
249.16457	10.1
251.18002	7.8
255.17477	36.0
257.19061	4.9
259.14862	6.4
261.16330	5.5
263.18018	6.0
265.19534	5.9
267.17444	7.7
269.19012	5.9
270.19827	6.6
271.20551	4.8
273.16168	6.4
275.17792	4.0
279.17462	4.5
281.18884	6.1
283.01898	12.4
283.20657	4.4
285.18533	5.9
286.19260	3.7
289.19479	5.9
294.19852	4.0
299.20129	9.1
334.23010	5.2
347.23550	5.8
349.25253	4.0
365.24738	4.7
367.26215	4.7
383.25769	12.9
399.26852	3.1
618.42719	11.3
636.43188	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01867	5.5
55.05243	3.0
55.05514	59.9
57.07076	7.5
59.05006	3.5
61.14243	2.8
65.03950	4.4
67.05505	33.6
69.03424	11.0
69.07071	22.8
69.24084	24.9
69.97643	2.9
71.04987	8.6
71.08606	2.8
77.69499	2.9
79.05505	41.5
79.44730	2.5
81.07065	48.7
83.04988	25.1
83.08629	69.9
85.06537	14.0
87.04461	5.1
89.06012	3.5
91.05492	62.5
93.07054	68.4
95.04970	37.4
95.08611	39.9
97.06526	23.8
97.10168	5.1
99.04483	3.8
103.05480	8.9
105.04566	3.5
105.07041	100.0
107.04968	12.9
107.08604	73.8
109.06534	20.1
109.10157	31.6
111.08093	8.7
113.09645	10.6
115.05480	5.4
117.07030	25.5
119.08592	84.1
120.09399	4.9
121.06522	14.3
121.10154	65.0
123.08068	20.5
123.11720	6.5
125.06005	3.2
125.09643	23.4
128.06235	16.2
129.07019	24.5
130.07787	12.5
131.08572	49.6
132.09328	7.5
133.06456	3.2
133.10153	55.6
134.10904	4.1
135.08093	14.0
135.11673	14.3
137.09627	6.9
139.11183	14.0
140.43591	3.3
141.06973	12.3
142.07796	26.2
143.08580	53.1
144.09328	12.1
145.06461	6.0
145.10139	79.2
146.07283	3.6
146.10971	3.8
147.08061	15.3
147.11696	24.1
148.12306	3.2
149.09634	18.3
149.13228	4.6
153.07016	4.4
153.09140	3.2
154.07738	4.8
155.08574	18.5
155.10652	17.8
156.09367	32.9
157.10127	63.4
158.10884	8.7
159.08087	20.3
159.11708	33.8
160.08859	9.7
161.09645	15.4
161.13249	7.9
163.11192	10.6
165.07037	11.1
165.09129	6.5
166.07803	5.8
167.08574	9.9
167.10667	24.8
167.14302	3.3
168.09337	7.8
169.10127	35.1
170.10880	11.6
171.07990	3.6
171.10225	3.8
171.11649	37.3
172.08881	3.8
172.12422	3.1
173.09602	11.9
173.13228	21.3
175.11194	13.0
175.14897	5.6
179.08595	11.2
179.14372	7.8
180.09286	3.7
181.10220	22.9
181.12239	29.1
182.10954	18.8
183.11700	30.0
183.13385	3.6
184.12453	4.2
185.09755	3.2
185.13237	21.7
187.11206	7.0
187.14851	10.9
189.12801	8.3
189.16312	3.1
190.13531	3.2
191.14351	12.0
192.09309	3.4
193.10126	20.9
194.10918	16.9
195.11742	33.7
196.12425	12.9
197.13284	38.9
198.14003	5.6
199.11191	6.9
199.14886	15.4
201.12683	3.8
201.16295	4.9
203.14308	9.3
205.10168	4.7
206.10976	8.4
207.11702	18.2
207.13847	9.6
208.12456	7.6
209.13287	23.7
209.15160	4.4
210.14018	5.0
211.11177	4.5
211.14915	19.7
212.11749	3.0
213.12772	10.2
213.16335	7.1
215.14351	20.3
217.16019	3.9
219.11800	6.7
220.12483	6.4
221.13254	18.0
221.15405	24.2
222.14046	7.4
223.11398	3.1
223.14835	17.6
225.12741	6.7
225.14819	14.2
225.16685	6.8
227.14229	6.3
229.15764	3.4
231.11635	5.0
233.13219	11.8
233.15399	43.9
234.13913	5.0
234.16060	4.7
235.14943	13.3
237.12717	4.0
237.16449	10.1
239.14299	6.1
239.17978	5.3
241.15875	5.3
245.13275	9.5
246.16264	5.0
247.14737	6.9
247.17033	6.5
249.16432	15.3
251.18069	6.2
253.15891	3.8
253.19353	3.3
255.17505	33.9
257.18869	3.3
259.14835	6.5
260.15640	3.3
261.16379	7.0
263.17957	6.7
265.19507	6.0
267.17328	3.2
268.18204	5.2
269.19113	5.1
270.19772	9.1
271.20544	5.5
273.18588	8.1
275.17914	8.7
281.18994	7.7
282.19720	5.4
283.20496	6.3
285.18579	4.2
286.19388	5.8
287.20190	5.0
289.19485	3.4
291.21289	3.3
295.20517	3.5
297.22186	4.7
299.20013	11.0
307.20465	4.5
311.20117	4.8
334.22714	3.5
337.25272	7.5
345.21979	4.5
347.23718	3.0
349.25180	6.4
365.24677	10.3
367.26337	7.5
383.25958	13.1
399.26758	4.7
414.29153	4.8
429.31659	3.5
439.29980	3.8
457.30856	4.5
561.28619	3.2
600.41315	7.9
618.43500	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13586	3.9
52.11200	4.0
53.03938	8.8
54.27355	3.7
55.01864	5.4
55.05510	57.7
57.07068	9.1
64.28107	3.9
65.03946	8.3
67.05502	38.8
69.03420	21.7
69.07069	21.0
70.06577	6.9
71.04988	10.8
71.49782	5.4
79.05491	55.0
79.80506	4.1
81.07051	67.9
83.01475	4.0
83.04977	16.1
83.08620	63.5
85.06522	8.9
91.05479	66.4
93.07043	60.5
95.04974	29.6
95.08611	39.9
97.06525	30.1
97.10181	6.5
99.04459	6.8
105.07032	100.0
107.04948	10.7
107.08599	78.7
109.06499	17.7
109.10160	27.1
111.08109	12.2
112.64865	4.6
113.09634	11.5
115.05479	7.9
117.06985	33.4
119.08580	92.8
120.09369	4.9
121.06496	9.0
121.10145	54.3
123.08099	24.3
123.11707	6.8
125.09614	20.3
128.06229	16.5
129.07021	22.2
130.07793	9.6
131.08571	53.5
133.06497	5.3
133.10138	56.6
135.08055	14.1
135.11700	15.1
137.09648	6.7
139.11183	17.1
141.06969	9.5
142.07793	29.4
143.08575	59.1
144.09363	14.2
145.06497	6.9
145.10130	81.7
145.11182	7.7
147.08057	15.8
147.11717	23.2
149.09601	17.0
151.07552	6.2
153.07027	4.7
155.08588	21.3
155.10645	15.9
156.09349	18.6
157.10132	66.8
158.10905	13.6
159.08078	12.7
159.11690	34.1
160.08841	13.0
160.12169	4.1
161.09605	13.1
161.13239	7.1
163.11189	13.9
163.14777	4.5
165.06984	12.1
167.08568	14.3
167.10626	21.3
168.09312	9.3
169.10103	32.2
170.10812	10.5
171.10381	7.8
171.11688	37.1
173.09637	17.5
173.13281	17.3
175.11183	14.7
175.14833	9.0
179.08577	13.4
180.09309	6.6
181.10136	24.8
181.12158	23.5
182.10886	12.6
183.11743	29.1
184.12474	5.4
185.09596	6.1
185.13261	18.1
186.13934	6.7
187.11255	8.7
187.14842	13.5
189.12790	4.7
191.14252	8.4
192.09447	5.6
193.10124	14.1
194.10847	12.3
195.11720	30.2
195.13495	6.7
196.12407	8.4
197.13234	45.9
198.13730	4.9
199.11270	5.0
199.14870	13.2
203.14413	10.6
206.10939	5.8
207.11725	16.6
207.13611	6.5
208.12425	9.3
209.13254	31.9
209.15028	5.6
210.14043	5.6
211.11180	5.3
211.14836	23.0
213.12700	5.7
213.16402	7.3
215.14392	22.9
218.16621	4.6
221.13390	10.0
221.15416	23.6
223.14824	18.8
225.12917	5.3
225.14885	12.4
227.14159	7.0
231.11763	5.5
231.17462	6.4
233.13219	10.0
233.15382	46.0
234.13976	8.1
234.16142	6.3
235.14857	17.1
237.16603	9.4
239.14148	5.9
241.15883	8.4
245.13293	10.7
247.14815	11.1
247.17070	6.6
248.15636	4.8
249.16412	13.4
255.17456	36.8
259.14816	6.4
261.16400	11.0
263.17859	8.7
267.17572	7.2
269.18954	6.8
273.18567	9.4
275.17853	5.5
281.19171	6.9
285.18692	5.9
286.19321	6.0
297.22171	6.3
307.20447	6.5
349.25360	7.1
365.24924	7.1
383.25925	11.4
439.20023	4.8
618.42566	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	619.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05519	15.9
57.03438	9.9
57.07080	38.6
60.08107	2.1
63.24043	2.1
65.03967	3.7
67.05138	3.1
67.05507	59.8
69.07073	19.8
71.08632	29.3
71.15784	3.1
71.16110	2.8
76.40643	2.4
79.05502	34.9
81.07059	69.4
81.88991	2.4
83.08638	14.8
85.06561	2.9
85.10179	14.9
87.04482	12.0
88.04745	2.4
91.05496	19.0
93.07051	39.3
95.08613	62.6
95.09187	4.8
97.06559	3.2
97.10181	8.5
105.07016	14.1
107.08606	31.0
109.10165	34.1
111.11713	3.6
117.07035	9.0
119.08559	14.8
121.10156	23.1
123.11730	12.4
123.73561	2.7
125.09620	2.9
131.08575	15.6
133.10152	15.8
135.11728	20.1
137.13275	5.4
145.10149	10.2
147.11694	8.9
149.13268	14.4
151.14830	2.7
158.79988	2.2
159.11703	8.3
161.13295	7.1
163.14815	6.9
164.93236	2.4
173.13322	11.4
175.15002	2.3
187.14922	5.9
233.22737	4.0
243.21016	12.8
261.22168	66.0
275.20126	3.5
279.23169	4.3
291.23138	2.6
291.79205	2.4
303.75824	2.6
317.24634	12.9
335.25830	69.9
341.30533	100.0
579.18018	2.7
601.52032	20.8
619.52466	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	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02369	0.4
53.03950	1.1
55.01858	0.2
57.07062	0.2
58.98185	0.1
59.99984	0.1
66.38414	0.1
66.86308	0.1
69.03416	0.4
69.07073	0.2
69.35656	0.5
69.36078	0.5
70.06592	0.4
71.20962	0.1
76.64642	0.1
77.03935	0.3
79.05504	1.1
81.03420	0.2
84.08152	0.2
85.02904	0.9
85.06535	0.7
86.06073	0.2
95.04964	1.0
97.02902	0.4
98.20791	0.3
99.04469	0.2
105.01890	0.3
105.04513	0.7
107.04957	100.0
108.05296	0.5
109.02886	0.1
117.27408	0.1
121.06544	0.1
127.03934	0.6
127.07531	0.3
145.04984	0.3
145.08591	0.8
147.04410	0.1
149.05956	0.1
175.11185	0.3
191.09186	0.1
207.45583	0.1
231.04872	0.1
255.05630	0.2
287.05606	0.3
335.13492	0.3
456.78690	0.1
551.64221	0.1
620.28223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03429	0.7
61.02911	1.2
63.02366	0.6
68.98709	0.5
69.03434	3.6
70.06595	2.6
70.99986	0.9
71.04997	0.4
72.08141	1.4
73.02892	1.2
77.34054	0.7
81.03405	2.2
81.06982	0.4
84.08125	0.9
85.02906	15.9
85.03400	0.6
85.06532	2.8
86.09710	2.6
87.02364	0.4
87.04466	0.7
89.03913	4.2
91.03946	1.0
93.07034	0.8
97.02896	4.1
99.04460	0.9
103.05458	0.6
105.07007	0.5
107.04958	13.3
108.05266	0.6
109.02883	1.2
117.03384	12.3
120.08138	1.1
121.06487	0.7
127.03907	3.5
133.06349	0.5
134.03619	1.2
135.04402	2.1
145.02850	44.5
145.04776	5.3
149.05969	5.5
162.03148	0.7
163.03961	3.0
163.06049	1.8
163.99721	0.5
175.07553	1.2
177.05469	100.0
178.05809	1.4
183.08138	0.7
189.09081	1.0
195.06529	51.2
210.15747	0.7
215.10591	1.1
229.10730	0.7
238.98383	0.6
243.10219	2.4
261.11215	9.2
356.17392	0.6
359.16669	0.7
383.73569	0.4
445.49292	0.5
475.04224	0.5
501.75302	0.5
505.14172	0.5
517.28381	0.5
620.28815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.6
57.03425	0.8
61.02914	1.4
67.05487	0.5
69.03431	3.1
70.06607	2.2
71.48335	0.4
72.08157	0.9
73.02906	0.8
81.03425	1.9
84.08134	1.1
85.02908	14.7
85.06546	2.8
86.09736	2.3
87.01076	0.4
89.03914	4.8
91.03947	0.7
91.05476	1.1
93.07072	0.5
95.04968	0.5
97.02888	3.8
99.04460	0.4
105.06999	0.4
107.04971	8.2
109.02872	1.4
110.07208	0.5
117.03381	12.0
120.08131	0.8
125.05994	0.5
127.03915	3.0
129.10187	0.7
134.03636	0.8
135.04414	1.2
136.07570	0.5
137.05988	0.8
137.09697	0.4
139.00299	0.5
145.02853	40.8
145.04811	4.8
149.05975	5.5
153.05432	0.9
163.03979	2.5
163.06033	1.1
175.07491	0.7
177.05476	100.0
178.05873	0.7
183.08142	0.7
183.57140	0.4
186.05533	0.6
189.09114	1.0
192.69980	0.4
195.06541	49.0
211.07541	1.1
215.10670	0.7
219.06601	0.4
228.07761	0.5
229.10716	0.7
243.10042	2.1
261.11246	9.2
287.05707	0.4
343.08521	0.4
362.12463	0.4
446.65549	0.5
539.21014	0.5
649.43719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.5
53.62104	3.6
55.01883	17.4
55.05513	20.9
57.03430	16.5
57.07073	5.9
57.49815	3.5
61.02923	7.2
65.03928	3.6
67.05180	4.4
67.05509	55.2
69.03432	71.8
69.07061	22.0
71.01349	4.8
71.04995	9.9
73.02900	9.9
79.05501	49.7
81.03413	37.1
81.07067	67.5
83.05007	5.3
83.08601	13.5
85.02910	100.0
85.06531	4.1
91.05482	39.3
93.07048	54.6
95.04959	10.5
95.08608	45.0
97.02886	44.4
97.10160	4.9
99.04455	12.9
101.02393	7.2
105.07035	35.2
107.04932	8.3
107.08620	28.1
107.65888	3.4
109.02857	11.7
109.06522	8.3
109.10167	22.8
111.04418	9.8
111.08157	3.8
115.03938	5.5
117.07037	26.3
119.08587	34.4
121.06481	6.3
121.10130	24.8
123.08063	3.6
123.11709	13.0
127.03929	67.1
129.05504	4.4
129.07010	13.1
131.08591	29.6
133.06432	3.7
133.10150	27.5
135.08017	4.8
135.11679	17.3
141.07010	4.0
142.07765	4.4
143.08560	15.1
145.04962	26.9
145.10138	28.9
145.11200	4.7
147.08017	6.8
147.11714	16.9
149.02287	4.5
149.09587	4.5
149.13280	9.2
151.07497	5.5
155.08560	6.5
157.10138	14.3
159.08073	7.7
159.11697	19.9
161.13249	13.5
163.06058	5.1
169.10149	7.5
171.11661	12.7
173.09669	5.0
173.13293	18.1
175.14781	6.5
177.12677	4.9
180.08659	4.9
183.11728	5.0
185.13252	8.4
187.11147	6.5
189.12604	3.5
195.13843	4.1
197.13351	5.8
199.14720	3.8
201.12576	4.4
208.89050	3.3
209.13177	5.7
259.20511	5.6
261.22086	13.6
277.21616	7.6
289.21454	3.5
291.23248	5.7
301.21716	5.5
303.23303	17.2
315.23242	8.7
319.22501	6.9
327.23251	7.2
341.24850	10.9
345.24408	6.5
351.23083	12.5
362.18399	3.6
369.24191	35.2
387.25241	42.8
405.26392	37.9
423.27426	13.2
461.89102	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	620.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34592	11.2
55.05491	11.6
67.05496	36.5
69.03416	10.7
71.48089	16.2
74.89017	9.6
75.34266	9.7
79.05483	44.8
81.03410	15.9
81.07064	68.9
91.05491	32.3
93.07032	29.5
95.08605	15.5
105.07026	30.9
107.04954	16.3
107.08593	26.0
109.06521	26.4
109.10141	16.4
117.07021	16.5
119.08572	22.1
130.17882	12.9
131.08548	12.4
133.10138	17.8
135.08076	15.6
145.10109	25.0
149.09657	14.4
159.11801	27.6
159.73045	10.2
161.09651	13.8
165.09093	12.4
169.10170	18.8
171.11757	17.7
173.13261	12.5
183.11646	20.1
184.23309	10.1
411.25467	22.8
429.26715	12.9
446.44577	11.0
471.27313	100.0
501.32013	15.7
576.66217	11.1
620.34802	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	621.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	17.2
57.03436	0.4
61.02932	0.3
69.03427	1.3
71.04955	0.3
71.95264	1.4
72.96063	0.3
78.42796	0.3
80.55952	0.3
81.03409	0.5
84.96043	4.4
85.02914	2.3
97.02905	1.0
98.20699	0.5
98.97587	100.0
100.99174	0.4
102.97010	0.4
104.19951	0.3
107.04955	3.9
110.97575	11.0
110.98345	0.5
112.99120	2.6
115.00661	0.3
116.98624	31.2
119.01888	0.5
124.99122	1.2
126.97015	0.6
127.00703	0.9
127.03928	0.8
128.98605	9.5
129.02281	0.7
131.00180	1.9
131.01883	0.3
134.99657	6.8
140.00182	1.0
140.98581	1.8
143.00188	3.0
143.01921	0.3
144.98106	1.4
145.01764	2.1
145.05040	0.5
146.99651	3.8
147.03293	2.5
147.04367	0.5
149.01218	0.6
152.98634	2.5
158.99663	38.7
161.01222	3.6
162.99173	0.9
163.02814	1.1
165.04343	1.8
170.99669	4.3
171.03284	4.1
175.02798	1.2
177.00717	30.4
179.02338	0.5
182.99678	0.3
189.00720	3.0
189.04347	10.3
189.06044	0.6
193.03897	0.8
195.01813	1.4
200.02350	0.8
201.00645	2.7
201.04384	0.7
203.02245	0.3
205.01741	0.4
207.05389	2.6
213.04329	0.5
217.03911	0.6
219.01778	20.0
220.02060	0.4
222.99133	0.3
223.02673	0.4
225.00754	0.7
226.05988	0.4
231.05354	2.7
233.07016	0.4
237.02831	23.6
241.00327	0.4
242.03485	0.4
243.01883	0.8
243.05435	0.4
245.05122	0.5
249.00864	1.0
249.06503	1.3
251.04562	0.4
253.00490	0.3
253.03838	0.4
255.03911	0.9
260.04602	0.5
261.02942	0.5
267.01801	2.6
279.01620	0.5
285.02902	0.9
287.05551	1.0
291.02264	0.7
291.07492	23.4
309.08566	78.9
310.08997	0.9
325.05862	0.5
332.10291	2.4
334.06201	0.4
351.09628	0.6
354.07452	0.5
361.02356	0.5
363.09760	0.6
369.04987	3.7
387.05997	3.3
395.06390	0.4
397.07819	0.5
405.58804	0.3
453.12894	3.6
476.61893	0.3
487.11276	1.3
522.81378	0.3
546.56342	0.4
603.16064	2.6
621.17029	44.7
622.17664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
62.42860	0.5
101.48312	0.5
102.67454	0.6
106.74625	0.5
107.27979	0.5
121.03349	0.6
149.43890	0.5
151.49994	0.5
272.32956	0.5
388.16815	1.1
389.17618	2.5
390.18350	1.4
391.19489	1.0
401.17801	0.7
402.18762	1.1
403.14874	0.6
403.19370	4.3
404.20068	2.3
405.20883	1.9
416.15970	1.1
417.16263	3.8
417.21445	1.9
418.22055	1.1
419.22324	5.5
430.17841	1.3
431.18179	4.7
432.19534	1.9
433.20355	2.0
445.20187	4.6
446.21042	6.4
447.21875	9.2
459.21890	2.2
461.19809	1.6
473.24335	0.8
474.20529	5.5
475.21210	6.3
475.26541	0.6
487.21353	2.2
488.22336	0.8
491.21072	0.7
501.22983	1.4
505.26669	0.7
519.20367	0.8
533.25598	13.5
561.24963	21.6
562.25256	1.1
589.24500	1.2
593.27753	4.3
621.27087	100.0
622.27075	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09042	0.4
62.50167	0.4
67.05441	1.1
69.07010	0.6
70.73481	1.3
74.02046	0.4
75.75002	0.4
81.06999	1.0
91.05377	0.4
93.06961	0.7
95.04914	0.4
95.08517	1.2
105.06968	0.9
107.04823	0.4
107.08533	0.7
109.06438	0.6
117.55206	0.4
119.08501	0.6
121.09997	0.5
131.08473	0.6
132.97031	0.4
135.08051	0.4
145.10049	0.5
157.07477	0.4
167.07300	0.4
209.10667	0.6
211.12212	0.6
221.10782	0.7
223.12350	0.6
235.08528	0.4
235.12331	0.5
249.10255	0.9
284.21130	0.6
291.19235	0.7
300.11487	0.5
317.85507	0.5
373.14606	0.8
374.15527	0.8
375.16098	1.1
376.17365	0.5
387.15875	1.3
388.16837	2.0
389.17694	4.7
390.18402	1.8
391.19138	0.7
400.16992	0.4
401.17978	2.1
402.13992	0.8
402.19019	2.5
403.19403	7.3
404.20123	4.2
405.20782	2.6
415.19241	1.4
416.15414	2.1
416.20776	1.1
417.16998	5.4
417.21017	4.3
418.17206	0.7
418.22003	1.0
419.22379	10.7
420.22903	0.8
429.16925	1.4
429.21689	0.6
430.17892	1.7
431.18024	10.8
432.18982	4.5
433.20126	2.3
441.16931	0.5
443.18478	1.6
444.19489	1.1
445.20245	9.8
446.21164	7.9
447.21832	14.7
448.22678	0.6
459.17490	2.3
459.22012	3.3
460.18301	1.1
460.23575	0.6
461.19495	0.9
473.19452	1.8
473.24728	0.7
474.20343	13.0
475.14407	1.0
475.21289	20.1
476.21567	1.1
477.22852	0.7
487.21411	4.4
488.21848	1.5
491.20578	0.7
501.23059	3.2
502.23819	0.6
503.20712	1.2
505.26328	1.0
506.23050	0.6
517.21814	0.6
518.23322	0.8
519.22766	0.7
529.22491	0.7
533.25568	12.7
546.22662	1.1
561.25000	94.2
562.25049	2.6
589.24518	2.7
593.27454	3.8
621.27094	100.0
622.27905	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.38141	0.3
67.05492	0.3
71.49249	0.4
95.08621	0.3
105.07006	0.3
121.39021	0.3
131.85168	0.2
133.10146	0.3
166.84773	0.2
254.71317	0.3
268.13382	0.3
283.01987	0.5
310.13388	0.4
370.82492	0.3
373.14679	0.5
375.16141	0.9
386.16101	0.4
387.16464	0.6
388.16977	1.0
389.17596	2.7
390.18539	1.4
391.19257	0.8
401.17862	1.0
402.18988	1.6
403.19504	4.2
404.20023	2.0
405.20789	2.3
415.19202	0.9
416.16321	1.0
416.20938	0.5
417.17056	3.1
417.21039	2.9
418.22504	1.4
419.17050	0.4
419.22443	7.0
420.23203	0.8
429.17090	0.5
430.17914	1.1
431.18155	6.3
431.23642	0.6
432.19128	2.5
433.20105	2.7
443.18912	0.6
444.19724	0.6
445.20163	5.7
446.20917	6.5
447.21844	9.4
448.22681	0.4
457.20309	0.6
458.21057	0.6
459.17175	0.9
459.22968	2.4
460.18051	0.5
460.23053	0.8
461.19464	1.8
463.21375	0.5
473.19669	1.3
473.24734	0.4
474.20422	6.1
474.26645	0.4
475.21307	7.9
477.23221	0.6
487.21555	3.0
488.22321	0.8
489.22977	0.4
490.23911	0.4
491.20724	1.1
492.25812	0.4
501.23019	1.9
505.25781	1.4
517.22375	0.3
518.22992	0.7
519.20593	1.0
529.22467	0.5
533.25513	14.6
534.25684	0.4
546.23370	0.3
561.25006	21.0
562.25397	0.9
589.24316	1.5
593.27545	4.1
621.27094	100.0
622.27637	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	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	16.6
55.01863	13.5
55.05515	55.1
57.03432	16.3
61.02922	11.8
67.05513	69.4
69.03426	37.3
69.07077	28.5
71.04969	10.9
71.49104	9.1
73.02879	7.2
79.05503	61.2
81.03416	51.9
81.07057	63.4
83.04970	12.0
83.08629	38.1
85.02887	30.7
85.06552	7.5
91.05482	70.7
93.07061	48.3
95.04952	15.5
95.08613	25.0
97.02888	25.2
97.06525	13.3
97.10195	35.5
103.05461	19.2
105.07033	47.6
107.04957	43.0
107.08624	34.8
109.02893	17.8
109.10136	17.4
111.04440	11.1
111.67753	6.1
115.05497	8.0
117.07009	38.6
119.04910	9.0
119.08600	31.6
121.06496	10.4
121.10154	7.5
123.08081	8.5
123.11723	5.4
125.09634	38.2
127.03930	15.7
128.06235	7.5
129.07016	36.6
131.04903	14.8
131.08542	44.1
133.06522	8.0
133.10101	13.7
135.08035	10.0
135.11679	9.2
137.05949	17.7
141.06998	10.0
143.08580	22.4
145.06477	15.9
145.10132	17.9
147.07994	7.1
147.11652	8.8
149.09608	7.6
149.13188	6.5
151.07512	9.0
151.11012	5.4
155.08553	20.3
157.06482	8.6
157.10077	14.7
159.08064	9.3
159.11711	12.3
161.09641	5.4
163.11174	7.1
169.10129	13.8
171.08141	8.9
171.11699	18.5
171.74303	5.5
173.04453	16.5
173.13303	6.9
175.11188	9.5
181.10164	8.2
185.13232	6.7
187.14873	10.9
189.11195	25.6
189.12721	6.2
193.10080	6.4
195.11748	9.1
197.13214	11.9
207.11780	8.8
209.11711	6.3
213.09232	6.3
213.12675	11.2
215.14307	45.1
227.12762	16.7
239.14162	7.5
241.08481	6.9
241.12228	6.0
331.33365	7.6
349.21445	6.6
357.24203	6.7
367.22699	38.4
385.23727	31.9
403.24554	8.0
441.26367	62.6
442.26764	8.1
442.33130	7.7
459.27390	100.0
477.28000	9.9
490.96085	7.3
515.20978	9.1
567.29291	7.9
603.31543	10.5
621.23419	10.3
621.32404	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80147	1.0
58.35009	1.3
59.21912	0.9
59.83581	0.9
64.81051	1.0
69.20578	10.7
75.48070	0.9
76.01092	1.1
93.07066	1.0
108.59286	1.0
109.10218	0.9
118.60236	1.0
121.70571	1.0
147.12621	1.0
153.51619	0.9
211.12524	1.5
221.10941	1.0
235.90875	1.0
273.18420	1.2
303.32059	1.0
399.84219	1.0
405.20944	1.7
417.17166	3.5
418.17676	2.8
419.18558	1.6
420.23285	1.4
432.19516	3.4
433.20160	2.9
445.16168	1.9
447.17938	4.0
447.22284	4.6
459.18304	1.9
460.19000	2.7
461.19550	6.3
462.20508	3.6
475.21326	20.2
475.27689	1.6
476.22101	8.1
477.22998	5.9
489.23593	1.2
503.20621	7.3
507.23694	1.3
533.23541	0.9
534.26190	2.7
535.23145	13.0
536.24115	2.7
545.24988	1.8
547.23370	4.0
548.24323	1.9
549.25195	2.3
562.25574	14.9
563.26526	15.3
566.28198	1.7
575.22858	2.2
579.26068	1.6
590.25525	5.4
593.26031	4.5
594.28571	6.7
607.25732	5.2
622.27881	100.0
623.28711	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	623.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28533	1.2
57.07062	2.3
58.98693	1.2
62.77609	1.1
67.05492	4.0
69.07078	1.4
71.48969	1.1
71.49364	1.7
72.16823	1.3
73.52893	1.3
79.05497	2.0
81.07066	4.0
88.25637	1.2
93.07055	3.8
95.08614	4.5
97.10194	1.4
105.07013	2.7
105.24683	1.2
107.08562	3.0
109.10185	2.6
111.08067	1.2
118.57538	1.1
119.08604	2.8
121.10142	2.8
131.08542	1.7
133.10147	1.4
145.10094	2.5
147.11691	2.3
159.11711	2.3
173.13274	1.5
197.13210	1.4
198.01057	1.4
204.33453	1.2
211.12431	2.0
313.27457	1.6
352.70776	1.2
390.18555	1.3
404.15750	2.0
405.16714	1.6
405.21356	1.7
419.18219	1.9
433.20383	2.6
435.21863	2.4
446.16653	1.9
447.17255	2.1
447.22623	1.8
448.18588	4.1
449.23260	2.7
461.19495	5.7
462.20300	4.4
463.21292	5.7
475.21222	5.8
476.21658	10.8
477.22803	8.7
478.23206	4.0
489.23227	2.6
490.23508	1.4
521.21338	1.6
535.23828	4.4
536.24316	5.4
545.25165	2.5
547.27240	1.8
548.24243	1.6
549.25018	4.6
550.25952	4.8
556.03485	1.4
563.26465	14.7
564.26794	6.1
591.25714	7.4
594.24683	2.9
595.29126	3.4
605.27747	3.7
608.26105	2.6
623.28491	100.0
623.51233	3.4
624.28540	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
61.67777	0.7
72.27562	0.6
73.55524	0.7
75.94308	0.9
80.32365	0.7
81.07069	1.0
89.06026	0.7
93.07108	0.8
109.10175	0.8
110.94473	0.6
125.84399	0.7
159.09460	0.7
223.12357	0.9
237.14015	0.8
250.41380	0.9
251.32091	0.8
375.16833	0.8
376.17010	0.9
377.17636	1.3
387.16394	0.7
389.18723	1.2
390.18951	1.7
391.19366	4.0
392.20071	2.3
393.20743	1.9
398.15753	0.8
399.16565	1.4
400.17389	1.1
400.34622	0.7
401.17889	2.5
403.19949	0.8
404.20404	2.2
405.20816	5.4
406.21689	3.5
407.22379	11.8
413.17813	2.4
414.18481	3.1
415.19455	4.1
416.20337	1.0
417.21442	1.0
418.21970	0.9
419.18161	1.3
419.23019	1.3
420.23224	2.3
421.23883	10.4
422.24759	2.6
427.19318	1.2
428.20148	2.7
429.20950	10.0
430.21765	2.4
431.18445	1.3
433.19904	1.3
433.24622	1.4
442.21735	2.1
443.22626	7.8
444.23328	5.3
445.20416	2.4
447.18417	2.7
455.18445	1.2
456.19467	1.3
457.24829	3.7
458.24881	6.5
459.21817	8.0
460.22714	2.4
461.19064	4.4
462.20367	2.2
463.21478	1.2
470.21347	1.6
471.22131	2.0
472.22665	7.2
473.23215	2.5
475.21005	5.5
476.21579	4.9
477.22711	3.2
484.18640	1.0
485.23578	14.0
486.20456	2.7
486.24765	2.1
488.22171	1.7
489.22836	2.7
499.21133	4.1
500.22266	2.1
502.23950	1.2
503.24567	7.1
507.23672	1.0
513.22485	3.6
514.23572	2.0
517.26166	7.5
521.25452	1.0
529.26227	1.1
531.23730	1.0
535.27374	4.3
545.25519	82.3
546.25977	2.0
561.87555	0.7
563.26605	1.0
564.27161	1.1
573.25012	18.4
591.26245	1.4
605.27612	100.0
606.27625	3.9
623.28656	85.7
624.28766	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67955	0.9
53.03936	1.6
55.01876	1.0
55.05515	4.8
57.03433	3.3
64.80344	0.7
67.05504	11.5
69.07065	2.9
70.74878	0.8
70.75273	0.7
71.04990	1.0
71.48878	1.1
79.05491	8.9
81.07068	13.0
83.04993	4.7
83.08607	1.6
84.40335	0.8
91.05480	9.4
93.07059	11.7
95.04970	1.5
95.08614	9.8
97.06544	1.3
97.10228	1.0
105.07049	8.0
107.04955	4.5
107.08608	7.4
109.06513	2.2
109.10185	4.6
111.04478	1.8
117.07044	2.8
118.06803	0.6
118.10776	0.7
119.08589	6.1
121.06533	1.5
121.10144	3.7
122.42472	0.8
123.08103	1.2
123.11704	1.1
129.06999	1.4
131.08569	4.1
133.10120	4.8
135.08044	1.9
135.11714	3.2
143.08598	2.8
145.10120	5.1
147.07991	1.4
147.11696	2.9
149.09583	1.0
149.13272	2.1
157.10124	1.8
159.08069	2.1
159.11717	3.5
161.13272	1.8
163.11237	0.7
169.10115	1.0
171.11716	1.7
173.13298	1.7
177.12764	0.9
183.11699	1.5
187.14896	1.8
189.12804	0.8
197.13344	1.3
199.14929	1.2
205.15906	1.2
225.16533	1.1
229.93858	0.8
233.15446	3.3
261.18558	1.6
271.17004	1.8
289.17999	8.5
403.19305	1.0
404.20215	1.0
405.20520	1.1
414.18655	1.0
415.19708	1.5
419.17853	1.1
429.20755	7.5
430.21448	1.2
433.24078	1.8
434.20068	1.1
442.21725	0.9
443.22748	4.0
444.23096	3.2
445.24704	1.1
446.20889	1.0
447.21979	1.5
449.23004	2.3
456.19412	0.9
457.24524	1.6
458.24741	3.3
459.21558	4.0
460.22525	1.7
461.23572	2.6
462.21036	0.8
472.22742	2.9
473.23376	1.8
474.20120	1.0
475.21039	1.9
476.21451	2.0
477.22705	3.0
485.23294	6.5
486.24295	2.0
487.25131	3.6
489.22656	2.0
503.24667	3.3
517.26263	5.2
519.24274	1.1
531.23907	3.4
545.25507	47.0
546.25928	2.2
563.26013	17.3
591.25867	1.6
605.27875	4.3
623.28571	100.0
623.43268	7.7
623.51935	3.7
624.29126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45764	0.5
55.05503	1.7
57.07083	0.6
67.05499	2.8
69.07067	1.4
69.57804	0.5
71.49065	0.8
77.21574	0.4
79.05468	2.6
81.07059	4.8
83.04994	0.8
83.08612	1.1
87.22974	0.4
91.05479	3.0
93.07053	3.2
95.08608	2.5
97.10170	0.7
99.52699	0.4
105.07034	2.3
107.08613	2.3
109.10149	2.0
117.07059	0.9
119.08611	2.7
121.10166	1.4
123.11752	0.6
125.09647	0.5
129.07018	0.6
131.08583	1.4
133.10152	1.5
135.08012	0.5
135.11714	1.1
143.08496	0.5
143.58914	0.5
145.10155	1.6
147.11746	1.0
154.98390	0.5
157.10185	0.9
159.08128	0.6
159.11734	1.4
161.09686	0.8
163.14885	0.5
169.10240	0.8
171.11781	0.8
173.13351	0.8
175.14972	0.7
199.14868	0.8
201.16266	0.5
211.14862	0.6
213.16478	0.5
289.17920	1.3
389.17670	0.7
390.18417	1.0
391.19235	1.0
402.18280	0.6
403.19220	1.4
404.20236	1.0
405.21243	2.4
407.22375	1.1
415.19614	1.0
416.20517	0.9
417.16974	1.6
417.21353	1.6
418.17438	0.8
419.17792	0.8
419.23138	2.6
420.23615	0.7
429.21167	0.8
430.17950	1.8
431.18753	2.0
431.23096	0.9
433.20184	5.8
434.21298	0.7
443.18881	1.7
444.19247	2.4
445.19852	3.8
446.21155	2.6
447.22052	3.9
448.22632	1.0
457.19916	0.7
458.20905	6.2
459.21844	6.1
460.22852	4.8
462.20868	0.6
463.21436	1.8
472.22729	0.6
473.23520	1.1
475.21176	0.9
476.21683	1.0
477.22906	1.6
487.25009	0.7
503.20441	0.8
505.25217	0.6
513.23212	0.5
517.22284	0.8
518.22906	4.6
521.21631	1.2
530.22839	0.5
531.24060	0.9
533.25500	8.2
535.26599	1.8
545.25677	3.2
546.26251	1.1
563.26355	5.8
573.25012	1.0
577.27887	0.9
590.25867	0.6
591.26202	0.7
605.27643	10.7
605.36908	0.9
623.28644	100.0
623.51227	2.0
624.28876	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
58.55412	0.4
58.72087	0.4
58.77953	0.3
67.05509	2.0
69.07072	1.1
69.44259	2.9
79.05491	1.9
81.07056	2.7
83.04984	0.4
86.43836	0.4
91.05478	1.6
92.41509	0.4
93.07037	1.6
95.08595	2.1
97.06548	0.4
105.07048	1.3
107.04992	0.6
107.08600	1.6
109.06517	0.5
109.10155	1.3
119.08620	1.7
121.10171	1.1
121.81395	0.5
123.04413	0.4
123.11711	0.4
131.08578	0.6
133.10158	0.9
135.11711	0.5
145.10092	0.9
157.10231	0.4
159.11713	0.6
171.11751	0.6
175.58751	0.5
243.17522	0.5
271.17075	0.6
289.18024	0.6
375.15952	0.5
376.16879	0.9
377.17676	0.4
378.13205	0.5
388.18314	0.7
389.13867	0.4
390.18619	0.9
391.19308	1.5
403.19452	0.5
404.16080	0.5
404.20584	0.5
405.21252	2.4
406.22086	0.5
407.22351	0.8
414.18729	0.7
415.19278	0.8
417.21240	0.5
419.18414	1.0
420.23224	1.2
421.24307	1.0
428.20328	0.6
429.21188	2.3
430.21570	1.1
431.22696	0.7
433.19998	3.5
435.21994	0.7
442.21844	0.5
443.22485	1.2
444.23669	1.0
446.17099	0.6
447.17801	7.3
448.22794	2.3
449.23450	2.3
452.22000	0.5
457.24435	0.7
458.24698	1.6
459.21225	3.0
460.22528	1.3
461.19385	8.0
462.20682	1.5
463.21466	1.7
471.22031	0.5
472.22595	1.9
473.23383	1.4
475.21658	1.5
476.22113	19.5
477.22781	3.7
479.20767	1.1
485.23593	3.3
486.24026	0.6
487.25113	1.3
488.22021	0.5
489.19135	0.9
503.24673	2.5
513.22595	0.5
515.24609	0.9
517.25995	1.7
519.24121	1.3
521.25458	1.2
531.23932	5.1
532.25018	0.5
535.23767	0.7
545.25531	10.4
545.33630	0.7
546.26093	0.8
547.27130	0.9
549.25177	1.6
559.23602	1.2
563.26379	6.1
591.26080	5.7
605.27698	2.6
623.28674	100.0
624.29059	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51982	1.9
53.03937	4.2
55.01880	4.3
55.05519	18.0
57.03429	8.0
57.07079	2.5
61.02929	30.7
65.03941	2.1
67.05511	39.9
69.03432	7.3
69.07069	13.9
70.61004	4.7
71.04975	3.3
73.02912	6.9
77.03944	2.0
79.05500	32.0
80.69384	1.8
81.03410	7.3
81.07060	33.6
83.04977	5.1
83.08631	12.5
85.02912	22.0
85.06537	4.0
91.03957	13.4
91.05483	48.2
91.84082	1.8
93.07056	26.8
95.04965	7.1
95.08617	25.4
96.17390	1.7
97.02901	15.2
97.06530	6.1
97.10193	3.4
99.04452	2.1
105.06406	3.1
105.07042	36.4
107.04939	7.4
107.08601	14.1
109.02907	2.6
109.06519	6.3
109.10173	8.7
111.08110	2.8
115.05463	6.2
117.07030	31.4
119.08582	21.4
121.06500	5.6
121.10167	9.4
123.08056	3.8
125.09621	3.7
127.03907	4.4
128.06209	11.0
129.07013	37.1
131.08574	43.0
133.06500	3.5
133.10146	10.8
135.08031	4.4
135.11688	5.3
137.09616	2.8
141.07011	16.5
142.07776	4.7
143.08572	32.7
145.05014	2.0
145.06502	7.6
145.10132	19.0
146.06493	1.9
147.08040	6.4
147.11687	4.8
149.09601	5.4
149.13213	2.7
151.11212	2.2
153.07019	2.8
154.07693	3.1
155.08551	24.8
156.93651	1.7
157.06454	2.2
157.10132	14.8
159.07985	4.4
159.11697	10.9
161.09648	4.0
163.11121	2.6
165.07016	3.0
166.07817	2.6
167.08554	12.2
169.10164	17.3
171.08029	3.4
171.11749	11.2
173.09648	3.8
173.11934	1.8
173.13351	3.4
175.11180	3.6
177.12715	3.5
179.08586	7.2
181.10091	11.8
183.11746	10.6
185.09743	2.1
185.13277	7.0
187.11188	4.0
187.14853	2.9
193.10126	7.3
195.11723	11.9
197.13284	8.3
199.11270	2.1
199.14798	6.0
201.12758	5.0
203.14285	2.5
205.12300	2.3
207.11722	6.5
209.13284	7.1
211.11211	2.6
211.14865	4.9
213.12793	3.9
213.16443	2.1
215.14368	4.6
219.11606	2.5
221.13300	10.4
221.15176	1.9
223.14882	8.5
225.12782	2.0
225.16417	2.8
227.14262	3.1
235.14876	5.2
237.16399	4.4
239.14323	5.5
249.16498	2.0
251.14290	2.1
253.15826	3.0
253.34796	1.9
257.15326	5.3
259.17200	1.9
267.17447	2.6
271.17126	3.2
283.16989	2.7
285.18524	3.6
305.22495	3.6
315.21066	2.3
323.23685	6.3
333.22198	18.3
341.24884	9.2
351.23193	51.0
369.24271	34.8
387.25275	15.7
415.28391	3.4
425.26935	6.0
443.27960	100.0
461.29047	52.5
587.30774	2.1
623.33710	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	624.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01869	0.4
55.05513	1.7
57.03421	0.4
57.07060	0.5
61.02906	0.4
65.03942	0.3
67.05242	0.2
67.05509	2.5
69.03426	0.7
69.07063	0.9
71.08634	0.2
78.04715	2.3
79.05500	2.2
80.05766	0.3
81.03417	0.7
81.07066	1.8
83.08621	0.9
85.02893	1.5
91.05463	1.8
92.05768	0.3
93.07043	1.5
95.04961	0.5
95.08601	1.4
96.08871	0.2
97.02856	0.6
97.10152	1.4
98.20692	0.4
105.07040	1.2
106.04162	1.1
106.07361	0.3
107.04919	0.7
107.08587	0.9
109.02908	0.4
109.06538	0.4
109.10133	0.6
111.08026	0.2
115.05413	0.4
117.07033	1.0
118.07348	0.3
118.72844	0.3
119.08573	0.9
121.10125	0.4
123.03574	0.5
123.04422	5.4
124.05222	2.0
125.09595	1.0
128.06178	0.3
129.06973	0.4
131.08589	0.5
133.10072	0.5
134.03580	0.4
137.05991	0.5
142.07767	0.3
143.08504	0.6
145.04999	0.3
145.10095	0.7
147.11707	0.5
149.13307	0.4
151.03906	1.0
152.04680	1.5
155.08537	0.5
156.09177	0.2
157.10135	0.6
159.11681	0.4
167.07039	100.0
168.07352	0.9
169.10110	0.8
171.11662	0.4
173.13289	0.3
174.43587	0.2
180.08748	1.0
180.33600	0.3
181.10098	0.3
183.11589	0.4
185.13118	0.3
189.11269	0.4
195.11670	0.4
197.13354	0.4
207.11768	0.3
227.12810	0.6
247.02299	0.2
247.10866	0.2
267.20886	0.3
278.61163	0.2
308.27618	0.3
371.66666	0.3
447.37787	0.2
468.84229	0.3
483.36780	1.1
500.21829	0.3
532.37964	0.3
546.22174	1.3
606.24384	2.1
606.41669	0.9
624.25983	2.1
624.43524	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	625.1557
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.7
55.01864	0.5
55.05514	0.6
63.02386	0.4
63.25289	0.4
64.32769	0.5
66.22656	0.4
67.05474	0.4
69.03427	3.5
69.07053	0.5
69.36458	2.2
69.36861	1.0
70.06593	1.0
72.08147	0.4
78.04718	0.8
79.05496	1.2
81.03426	4.4
81.07037	0.8
84.08119	0.8
85.02896	1.7
86.09690	1.2
89.03416	0.7
89.03925	6.9
91.05485	2.6
92.89153	0.5
93.07019	1.1
95.04981	0.8
95.08610	0.9
97.02870	0.8
97.06542	0.5
99.04445	0.8
103.05478	1.3
105.07032	1.7
106.04183	0.5
107.04971	7.1
107.08578	0.7
109.02857	1.8
109.06533	0.5
111.04469	0.5
117.03387	21.4
119.04969	2.4
119.08571	0.8
121.02895	1.2
121.06545	0.9
124.71429	0.4
127.03924	1.6
129.10245	0.5
130.07822	0.4
131.04926	0.9
131.08551	0.6
133.06488	0.9
133.10162	0.5
134.03636	1.3
135.04390	1.2
137.05989	1.0
145.02855	50.1
145.10141	1.4
147.04420	6.7
149.06006	8.3
153.01804	1.0
159.11655	1.0
163.03986	0.5
167.07082	0.8
173.09622	0.8
177.05481	100.0
181.04933	0.9
186.05533	1.4
187.11174	1.0
191.06984	0.5
195.06534	1.0
205.12115	0.5
215.10759	1.0
221.85942	0.4
287.05524	22.4
287.10309	0.9
288.05554	0.5
321.09683	6.6
339.10699	1.9
607.19275	0.5
625.21527	1.0
625.34790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.05494	0.9
57.03424	2.4
61.02914	0.8
65.88225	0.6
69.03418	1.8
70.06583	2.9
71.04999	10.8
71.48724	0.9
73.02898	0.6
75.04460	0.6
81.03419	1.5
81.18137	0.6
83.04992	0.6
84.08167	1.2
85.02911	17.1
86.09702	2.0
87.04473	0.8
89.47556	0.6
91.05515	0.8
93.03398	0.7
97.02885	1.7
98.90927	0.6
100.11232	1.5
107.04964	6.3
108.05269	0.9
110.07224	0.7
111.04408	0.7
121.02811	1.0
127.03917	0.9
129.05486	3.9
129.10272	1.0
133.06465	0.7
144.68906	0.7
145.04985	1.4
147.06573	0.9
153.01834	4.3
165.01877	1.1
177.05452	1.3
182.15520	0.9
192.41902	0.6
210.14862	1.4
228.04240	0.8
229.04945	2.2
246.05205	1.4
257.04550	1.2
271.06015	0.7
273.03979	0.9
274.04749	3.5
285.04004	3.5
302.04254	10.5
317.06586	100.0
318.06976	2.4
377.22098	0.8
573.71375	0.7
589.93707	0.8
625.43073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.01857	3.8
55.05516	25.4
57.03437	20.6
61.02929	37.1
66.32868	3.2
67.05509	63.5
67.81944	2.8
69.03432	29.5
69.07065	23.3
69.32322	26.1
71.04995	8.7
73.02925	14.6
79.05492	52.0
81.03425	21.8
81.07059	56.7
83.04993	8.0
83.08623	11.5
85.02913	35.3
85.06537	4.8
87.04485	4.3
91.03960	17.3
91.05486	79.1
93.07044	43.7
95.04949	8.2
95.08598	38.0
97.02912	30.3
97.06533	9.2
97.10166	3.3
99.04461	8.8
101.02382	8.5
105.04537	4.3
105.07031	67.7
107.04955	10.8
107.08607	23.5
109.02896	9.4
109.06535	7.1
109.10162	14.0
111.04458	3.3
111.08167	3.3
115.03889	4.3
117.07008	33.3
119.08574	47.1
121.06493	8.3
121.10153	16.3
123.08075	6.3
127.03920	19.6
128.06238	6.1
129.07025	23.1
129.14079	2.9
130.07826	4.2
131.04886	3.6
131.08560	54.4
133.06465	3.3
133.10130	22.9
135.11708	9.6
137.05980	4.4
141.06987	11.4
143.08560	25.5
145.04967	8.4
145.10110	38.8
147.08052	8.4
147.11687	9.1
149.09673	6.0
149.13257	3.4
155.08594	12.2
157.10141	21.2
159.11687	18.2
161.13264	4.0
167.08517	7.3
169.10130	14.6
171.11694	13.2
173.09586	3.4
173.13283	7.6
175.14818	3.4
181.10196	7.4
182.10780	3.7
183.06602	5.1
183.11714	9.8
185.13263	7.5
187.14735	4.8
195.11729	3.4
197.13295	8.3
199.11101	3.6
199.14896	6.6
201.12665	4.0
209.13290	7.0
211.14726	4.6
215.14282	4.8
219.13792	5.2
223.14853	4.4
225.16397	3.1
227.14293	3.6
227.59196	2.9
233.15410	5.5
247.16888	4.8
259.02875	3.0
259.16946	7.4
325.25223	8.0
331.76147	3.1
335.23636	9.5
343.26419	16.7
347.68695	2.9
353.24707	39.1
371.25867	58.1
389.21860	6.1
389.26892	100.0
396.97778	3.9
409.27957	3.2
445.29340	40.3
463.30502	64.0
487.30606	5.1
571.32635	6.2
589.33167	5.1
607.34680	7.7
625.34198	14.8
625.44312	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	625.3582
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01865	8.5
55.05508	33.1
67.05508	66.7
69.03442	8.1
69.07062	20.8
70.04592	20.8
70.04990	15.4
71.04980	7.6
73.02915	6.5
79.05502	51.5
81.03394	8.4
81.07049	59.6
83.08618	11.7
85.02927	7.5
86.82684	6.8
91.05499	62.6
93.07024	41.8
95.04958	8.5
95.08627	47.9
97.06533	11.3
97.10133	9.1
98.14074	7.4
105.07020	43.3
107.04987	7.5
107.08576	22.7
109.06516	14.0
109.10198	16.0
117.06996	21.0
119.08577	37.6
121.06450	12.1
121.10133	21.3
123.11729	8.9
129.07072	13.6
131.08559	34.6
133.06506	7.2
133.10109	30.8
135.11668	11.0
136.63855	6.3
136.88986	8.4
137.86423	7.5
141.07005	13.3
143.08539	24.9
145.10114	25.1
147.11656	12.6
149.13249	9.6
155.08583	12.7
157.10110	20.5
159.11676	21.1
169.10136	11.9
171.08057	8.4
171.11699	10.7
183.11768	8.8
185.13190	11.7
195.11684	9.0
197.13342	11.1
300.89581	6.9
331.13446	15.7
371.25684	11.2
383.68411	7.9
389.26682	9.9
445.29520	79.6
463.26337	33.8
463.31390	17.4
512.64960	7.4
596.04224	7.9
607.43536	16.0
625.31622	100.0
625.43988	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54025	1.8
53.03937	9.8
55.01864	5.1
55.05511	17.8
57.03443	8.8
57.07061	1.9
59.05000	1.7
61.02927	27.6
65.03949	3.4
67.05184	2.9
67.05507	42.0
69.03430	21.2
69.07062	18.5
69.47343	13.0
71.04982	5.3
73.02927	12.3
79.05497	38.7
81.03423	17.4
81.07056	45.8
83.04967	5.3
83.08610	9.5
85.02912	29.3
85.06508	2.4
87.04471	2.2
88.74952	1.8
91.03951	13.0
91.05485	67.4
93.07052	40.0
93.66884	1.6
95.04958	6.2
95.08611	34.1
97.02889	23.2
97.06522	6.3
97.10171	2.4
99.04436	4.8
99.08111	2.2
101.02367	6.1
103.03947	2.6
103.05459	3.3
105.07030	58.0
107.04960	4.7
107.08596	15.9
109.02840	8.0
109.06514	5.8
109.10158	11.3
111.04446	2.9
111.08129	2.4
113.06133	1.8
115.05478	2.4
117.07024	26.0
119.08587	41.7
121.06486	7.2
121.10149	16.0
123.08065	4.4
125.09628	3.0
127.03909	13.9
128.06207	3.6
129.05449	2.3
129.06995	17.4
130.07834	1.8
131.08569	48.5
133.06522	2.5
133.10126	22.3
135.08058	3.1
135.11688	4.9
137.09605	2.7
141.06952	8.1
143.08578	23.1
145.04919	1.9
145.06462	3.8
145.10141	24.3
147.08025	6.1
147.11676	5.4
149.09621	4.8
155.08565	14.1
157.06516	2.0
157.10159	13.1
158.50702	1.8
159.08051	2.4
159.11717	12.1
161.09634	2.0
161.13284	2.7
163.11154	2.8
167.08643	2.9
169.10115	10.3
171.08003	2.4
171.11684	9.3
173.09579	1.6
173.13368	4.9
179.08614	2.0
181.10127	7.5
183.06537	3.1
183.11687	6.2
185.13242	5.4
187.11131	3.7
187.14845	3.0
195.11694	4.7
195.13438	1.7
197.13252	7.9
199.11092	1.8
199.14851	3.6
201.07605	4.1
201.12766	2.5
207.11696	2.1
209.13333	5.2
211.14848	2.8
213.12743	2.8
213.16339	2.6
215.14319	1.7
221.13206	3.2
221.15358	2.2
223.14879	3.4
225.12581	1.9
225.16423	3.1
229.15878	2.4
233.15540	4.1
239.18089	2.2
241.15985	3.7
245.15312	2.4
247.16878	5.1
259.16922	3.1
261.18512	3.6
273.18494	3.5
325.25488	5.9
335.23633	8.7
343.26425	10.4
353.24750	32.1
371.25815	53.5
380.53439	1.9
389.26862	100.0
427.28961	1.8
445.29471	24.5
463.30545	52.5
469.21625	1.6
487.30493	2.7
491.29361	2.2
571.32330	4.0
607.34253	6.4
625.35767	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	625.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05494	15.1
59.37707	4.5
61.02923	7.8
67.05505	27.4
69.03425	6.1
69.07049	13.1
69.54834	23.0
69.55250	9.6
79.05489	23.3
81.07058	28.0
83.08621	5.9
85.49624	4.6
91.05481	29.4
93.07038	22.9
95.08598	16.7
97.02896	6.9
102.55397	4.6
105.07035	22.7
107.04960	8.1
107.08596	10.9
109.10120	4.3
111.08068	4.6
117.07020	15.7
119.08564	20.0
121.10172	5.1
123.11696	7.6
129.07014	9.5
131.08546	16.4
133.10101	12.6
133.98825	4.6
138.09009	5.0
143.08603	11.3
145.10086	16.8
155.08545	7.2
157.10124	7.8
183.11705	6.5
217.58145	4.5
353.24759	12.4
371.25659	8.7
384.55130	5.1
389.26624	8.9
445.29550	100.0
463.30441	27.5
544.09418	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	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33326	0.6
51.02311	0.9
53.03850	4.7
53.04136	1.7
55.01774	6.3
55.02062	1.5
55.05412	15.3
55.05714	4.8
57.03337	14.4
57.03656	4.0
57.06987	1.9
57.07231	0.9
58.16460	0.7
60.14233	0.7
64.69704	0.7
65.03840	4.7
65.04205	1.7
67.05395	53.6
69.03357	1.8
69.06954	10.9
69.07362	2.3
70.14562	3.2
71.04878	2.7
71.05241	1.3
71.93148	0.6
77.03867	0.9
79.05377	49.4
81.03300	2.6
81.06939	43.3
81.07465	5.2
83.04871	5.2
83.08502	5.5
85.02789	0.8
85.06425	14.3
85.06976	1.5
91.05361	40.0
91.05991	3.6
93.06921	46.3
93.07567	4.0
95.04849	42.1
95.05520	3.7
95.08482	29.5
97.06410	4.3
97.10046	3.0
99.04378	0.8
99.07973	1.4
103.05379	1.7
105.04388	2.2
105.06905	25.8
105.07686	1.9
107.04830	9.4
107.08467	23.4
107.09255	1.2
109.06521	59.6
109.07213	3.6
109.10028	9.7
111.07965	2.4
113.06007	40.0
113.06738	2.1
115.05342	2.6
117.07024	13.6
119.04813	1.7
119.05995	0.8
119.08588	18.0
120.08849	1.0
121.06517	5.2
121.10148	16.3
123.04353	1.1
123.08055	4.3
123.11594	2.3
125.05922	1.1
125.09557	1.9
128.06097	2.4
129.06987	7.5
130.07614	0.9
131.08577	21.1
133.06367	3.3
133.10136	13.1
133.53287	0.8
135.08055	36.1
135.08992	1.4
135.11699	11.7
137.05864	0.9
137.09511	2.2
141.06882	2.3
142.07753	1.2
143.08562	9.9
145.06410	1.9
145.10120	14.6
147.08057	6.0
147.11728	5.7
149.09639	5.5
149.13280	4.0
151.11113	1.4
155.08430	2.2
157.10144	7.8
159.07942	3.2
159.11681	8.8
161.09641	9.1
161.13297	3.7
163.11040	2.6
165.09041	1.4
169.09981	2.3
171.11649	5.1
173.09433	0.9
173.13257	5.5
175.11197	3.8
175.14706	1.4
177.12643	3.2
179.14130	1.5
181.09927	1.3
183.11620	3.3
185.09544	1.1
185.13272	3.6
187.11122	1.6
187.14729	1.7
189.12767	1.0
189.16319	1.5
191.14310	1.1
195.11632	2.2
195.13734	2.4
197.13120	1.4
199.11113	1.5
199.14804	3.7
201.12706	1.2
201.16374	1.1
203.14268	0.9
205.12077	1.0
211.14746	0.8
217.15907	15.9
219.13748	1.6
221.15550	0.8
223.13304	1.1
227.17874	2.4
233.15308	2.2
237.16263	1.7
245.18909	2.3
255.17448	3.8
261.22089	1.2
273.18506	34.5
275.20004	1.0
279.15836	1.3
291.19553	100.0
292.19861	2.3
309.20584	2.0
317.24661	1.4
335.25818	8.3
347.22235	6.3
365.23288	2.3
533.39862	0.9
607.43628	6.0
625.44800	37.9
644.03564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
53.50909	1.9
54.93043	1.9
55.01876	38.2
55.05513	38.0
57.03445	10.6
57.07084	3.5
65.03947	5.6
67.05508	71.5
69.03434	3.5
69.07072	74.7
69.78996	7.3
69.79410	3.5
71.05003	6.6
79.05495	58.4
81.03441	8.5
81.07059	83.0
81.07534	4.0
83.04975	11.4
83.08627	13.2
91.05483	70.0
93.07045	61.2
95.01357	5.6
95.04990	12.0
95.08612	50.8
95.09177	3.4
97.06533	41.8
97.09615	2.0
97.10194	7.9
99.08092	4.0
103.05463	2.8
105.04571	2.0
105.07038	66.4
107.04956	16.8
107.08607	36.4
109.06537	10.7
109.10170	23.1
111.08083	6.2
113.09686	2.2
115.05514	3.8
117.07017	34.9
117.07763	2.9
119.08585	54.6
121.06535	4.7
121.10149	21.7
123.08101	8.6
123.11749	7.4
125.09642	5.9
128.06242	4.4
129.07014	19.8
130.07797	2.2
131.08571	48.5
133.06483	2.8
133.10136	42.4
133.11089	3.9
135.08121	6.7
135.11687	13.6
137.09644	4.9
137.13277	2.2
139.11240	2.6
141.07053	8.9
142.07835	3.3
143.08568	31.2
145.06509	4.2
145.10129	45.9
147.08131	7.2
147.11679	31.5
147.12627	2.9
149.09619	11.3
149.13312	8.3
151.11287	2.7
153.06993	2.2
155.08568	14.8
156.09334	5.1
157.06599	2.5
157.10133	27.7
159.08086	3.6
159.11687	34.3
161.09680	4.8
161.13264	17.3
163.11261	6.4
163.14891	2.8
165.09041	3.5
167.08597	7.2
168.09441	2.1
169.10139	22.3
171.08165	2.6
171.10262	4.7
171.11670	24.2
173.09676	4.9
173.13287	18.4
175.11285	2.5
175.14894	9.6
177.12828	3.8
179.08604	3.0
179.14439	5.8
181.10100	12.4
183.11734	18.1
185.09639	3.6
185.13258	18.4
187.11215	2.8
187.14848	10.1
189.12810	3.5
189.16431	3.2
191.14336	2.5
193.10207	2.7
195.11771	8.8
197.13347	9.1
199.11322	2.3
199.14767	11.6
201.12816	3.2
201.16447	3.8
205.12315	3.4
207.11865	3.9
209.13344	9.2
211.14912	6.6
211.24736	1.9
213.16483	4.3
215.18068	3.7
217.19388	2.9
221.13370	4.8
223.14891	7.8
225.16533	4.4
227.17928	5.1
229.19557	2.7
230.87697	2.1
235.14873	5.3
237.16418	5.5
239.18053	6.4
241.19539	17.1
245.19084	3.2
247.14793	2.4
251.18060	2.8
255.17625	2.9
257.19089	9.3
259.20599	19.3
273.18506	14.0
275.20099	40.3
277.21701	2.7
283.20602	2.8
291.19720	9.5
293.21143	4.8
311.23785	2.6
315.23233	4.7
327.47510	2.2
333.24310	18.7
339.23383	4.7
339.27133	2.9
347.22144	2.4
349.23734	21.0
351.25577	2.7
383.25204	2.3
407.29773	2.7
419.33435	5.2
435.32874	8.9
437.34351	15.0
447.33072	2.7
453.33673	2.7
455.35159	2.3
463.32187	2.6
465.98553	2.1
493.37387	2.6
501.36084	2.9
505.41000	2.5
509.36746	3.2
511.38022	12.1
513.35974	8.6
515.39294	8.2
527.37628	6.1
529.39258	5.6
533.40015	13.9
551.41254	8.0
555.37109	5.2
607.43646	54.2
608.43774	2.9
625.44733	100.0
625.54779	4.8
626.45007	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	625.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01866	5.3
55.05514	32.8
57.03435	14.0
57.07072	4.4
59.04992	2.3
65.03924	2.7
67.05508	48.7
67.05843	3.7
69.03418	2.1
69.07072	23.6
71.05005	4.7
71.18644	1.6
71.49242	2.0
78.57074	1.8
79.05495	37.2
79.05970	1.9
81.03423	2.1
81.07058	50.6
83.04993	5.3
83.08618	18.8
85.06551	4.0
91.05485	38.7
91.06032	3.2
93.07047	45.4
95.04982	6.7
95.08611	34.2
95.09174	2.7
96.42651	1.8
97.06526	8.1
97.10160	9.7
99.08109	5.6
103.05498	2.6
105.04564	1.8
105.06322	2.3
105.07036	41.0
107.04962	6.0
107.08594	28.8
109.06522	9.3
109.10168	19.2
111.08098	5.3
115.05479	3.9
117.07039	15.2
119.08590	27.4
119.09400	3.0
121.06491	2.6
121.10149	15.8
123.08068	4.3
123.11722	4.9
125.09646	7.3
128.06229	4.6
129.07024	15.3
130.07813	2.1
131.08569	27.3
133.10156	23.5
135.08037	4.0
135.11693	9.4
137.09593	1.9
137.13379	2.1
141.06958	8.8
142.07832	4.7
143.08586	20.1
145.06473	2.5
145.10117	23.4
147.11722	13.3
149.09616	4.4
149.13249	3.9
154.07794	2.6
155.08569	12.9
157.10133	22.2
159.08113	2.4
159.11708	19.6
161.09677	2.4
161.13278	8.1
163.11235	5.8
165.07025	3.0
167.08588	7.3
168.09389	4.0
169.10136	17.3
170.10861	2.5
171.11716	17.1
173.13272	9.4
175.14828	6.3
178.21431	1.8
179.08545	5.1
181.10132	12.1
183.11723	15.4
185.13251	11.9
187.14894	5.0
189.12752	2.3
193.10173	4.0
195.11731	11.8
197.13264	14.7
199.11223	2.4
199.14891	8.2
201.16377	3.2
207.11792	4.1
209.13286	8.9
211.14862	6.6
213.16473	4.8
217.15866	2.2
221.13338	5.2
223.14925	6.2
225.16403	4.1
233.13406	2.5
235.14877	5.2
237.16447	6.5
239.17969	3.6
241.19620	3.2
249.16315	2.6
253.19542	3.7
257.19171	4.7
259.20654	7.6
273.18646	4.3
275.20154	7.4
291.19785	2.2
303.61716	1.9
307.20419	1.9
309.22220	3.0
315.23288	2.6
333.24142	4.1
349.24277	4.1
353.24802	1.9
365.28415	2.5
391.29846	2.5
423.32510	1.9
428.08722	2.3
437.77435	1.8
461.34058	3.1
497.36911	2.6
499.34207	3.5
513.36017	5.9
515.39252	8.2
517.35742	2.5
527.37451	4.1
533.40039	7.6
539.37372	2.8
541.40149	2.2
551.41016	5.7
553.39008	10.1
567.40411	2.6
589.42322	3.2
598.41315	2.0
607.43597	39.5
625.44659	100.0
626.44775	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26190	0.9
51.02367	1.2
53.03946	7.6
54.55190	0.9
55.01874	9.4
55.05513	32.9
57.03447	7.4
57.07073	3.1
58.89852	0.9
65.03946	6.9
67.05507	85.3
68.05806	1.0
69.03431	10.1
69.07072	49.5
71.05007	2.3
71.08645	1.0
71.24224	1.6
77.03918	1.4
79.05497	71.1
80.05845	1.0
81.03412	3.3
81.07056	68.4
83.04980	8.4
83.08618	12.7
85.06539	2.7
91.04902	1.7
91.05485	50.8
93.07047	71.9
95.01328	1.9
95.04971	32.7
95.08610	46.4
97.02897	8.4
97.06539	10.0
97.10178	11.9
99.08102	1.9
99.46725	1.1
103.05459	2.0
105.04525	2.8
105.07034	36.9
107.04957	11.1
107.08599	35.7
109.06521	14.9
109.10161	21.8
111.08106	4.2
115.05455	2.7
116.06243	1.1
117.07018	16.1
119.04914	1.6
119.08585	29.3
121.06509	6.3
121.10141	20.7
123.08070	6.0
123.11708	5.0
125.09615	6.4
127.07562	2.1
128.06230	2.1
129.07024	8.5
130.07803	1.4
131.08568	23.2
133.06522	5.0
133.10135	17.6
135.08083	8.4
135.11682	15.3
137.05969	1.9
137.09607	5.2
137.13338	1.0
139.11244	1.2
141.07002	2.2
142.07820	1.9
143.08551	11.1
145.06497	3.0
145.10118	17.2
147.08072	7.3
147.11696	11.3
149.09618	4.4
149.13264	9.9
151.11165	1.9
153.09218	1.2
155.08517	4.4
156.09306	1.1
157.06487	0.9
157.10144	7.8
159.08113	3.1
159.11688	14.4
161.09627	6.2
161.13255	6.2
163.11214	2.7
163.14899	2.9
165.09076	2.1
165.12759	1.3
167.08606	1.6
169.10153	4.1
171.10262	2.3
171.11740	6.5
173.09642	2.3
173.11810	1.6
173.13210	8.4
175.11241	3.6
175.14861	3.2
177.12759	3.2
181.10092	2.2
183.11751	4.3
185.09618	1.2
185.13220	4.6
187.11278	2.2
187.14870	3.7
189.11226	3.4
189.12791	1.5
191.14354	1.1
195.11726	2.4
195.13802	1.7
197.13295	2.2
199.14850	2.8
201.12694	1.2
201.16423	1.5
202.45247	1.0
203.14398	1.4
203.18071	1.1
205.12270	1.6
209.13292	1.7
211.14873	2.6
213.16519	1.9
215.17969	1.9
217.15938	2.3
221.13335	1.0
223.13301	12.7
225.16373	1.9
227.12852	1.1
227.17966	2.3
237.16576	1.6
239.17886	1.3
241.19569	1.3
245.19119	2.8
249.14925	3.8
255.17511	2.3
257.19040	1.1
259.20541	1.2
259.52023	1.1
261.22202	3.1
263.20096	1.8
273.18509	31.3
275.20209	3.2
279.15976	1.2
291.19553	100.0
317.24777	1.8
333.24100	1.9
335.25781	8.9
347.22165	7.2
365.23413	1.7
395.99338	1.1
515.38159	1.4
533.40277	1.4
603.15515	1.2
607.43573	9.0
607.52460	1.3
625.29797	8.3
625.44611	83.8
625.53052	3.5
626.44928	2.0
639.73602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
54.22286	1.8
55.05510	16.6
57.07071	3.9
65.03940	3.7
67.05505	38.2
69.07071	31.4
70.74246	5.1
71.08604	2.8
79.05491	30.4
79.05919	2.4
81.07059	100.0
83.04980	3.3
83.08612	12.0
85.06548	2.6
89.30644	1.6
91.05487	30.9
93.07046	56.2
95.04946	3.4
95.08610	89.4
97.10175	7.2
105.07037	55.0
107.08596	67.3
109.06522	5.1
109.10165	56.1
111.08073	3.4
117.07019	7.9
119.08586	57.1
121.10151	47.0
121.30695	1.8
123.08121	2.5
123.11703	21.9
125.09616	2.9
125.46519	1.6
128.06239	2.1
129.07024	3.8
131.08568	19.9
133.10143	35.6
135.11688	32.2
137.09692	2.0
137.13251	8.3
141.06934	1.7
142.07768	3.9
143.08545	11.8
144.09387	2.4
145.10135	34.7
147.11699	29.7
149.09648	3.4
149.13240	23.5
151.11197	3.0
151.14864	2.9
155.08586	6.2
156.09396	4.5
157.10156	18.4
158.10878	1.9
159.11708	36.6
161.13257	27.8
163.14841	15.8
169.10170	10.7
170.10898	2.9
171.11688	15.3
173.13272	24.1
175.14839	21.4
177.16315	8.6
181.10155	2.1
183.11725	9.8
184.12427	1.9
185.13228	14.9
187.14857	19.3
189.16400	13.7
191.17928	3.8
195.11751	4.5
197.13277	9.1
199.14857	15.0
200.15533	1.9
201.16402	14.7
203.18010	10.7
205.19528	1.9
209.13242	5.4
211.14789	8.4
213.16443	12.4
215.17993	12.5
217.19530	4.8
220.54816	1.7
221.13390	1.7
223.14891	2.5
225.16420	7.2
227.17953	7.6
229.19603	5.6
237.16466	2.5
239.18019	3.7
241.19540	5.7
243.21208	5.7
245.22705	1.9
251.18066	4.3
253.19565	5.7
255.21092	5.2
257.22733	3.8
259.24359	1.8
267.21027	2.9
269.22714	5.3
271.24106	3.4
281.22745	5.7
283.24265	6.0
293.22717	2.4
295.24124	2.5
297.25839	2.3
307.24551	1.9
311.27341	2.7
323.27371	1.7
325.29004	1.7
333.26349	2.0
335.27481	2.8
337.29129	2.1
349.28894	2.3
391.33649	1.9
403.33118	1.8
543.45856	2.1
607.52539	15.9
625.53479	84.0
626.54279	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	625.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05512	18.4
57.07061	4.5
65.03942	3.2
67.05509	37.2
69.03429	2.2
69.06727	2.6
69.07072	30.8
70.06373	5.1
71.08620	2.1
73.79931	1.6
76.83659	1.7
79.05493	28.7
81.07061	100.0
83.04986	3.9
83.08623	14.0
85.06554	4.2
91.05487	25.0
93.07049	59.1
95.04961	5.2
95.08614	80.7
97.06514	2.2
97.10159	7.1
98.21469	1.9
102.69976	1.6
103.05475	1.6
105.04527	2.4
105.07036	54.6
107.08603	72.8
109.06550	2.8
109.10162	58.7
111.08119	2.7
111.11736	4.1
117.07014	8.0
119.08591	58.9
121.06536	1.5
121.10150	54.9
123.08073	1.8
123.11716	26.9
125.09637	3.2
128.06212	3.1
129.06989	6.3
130.07806	2.2
131.08568	21.3
133.10135	35.9
135.11702	33.5
137.09541	1.8
137.13240	8.1
141.07063	1.4
142.07800	5.0
143.08559	12.2
144.09297	2.1
145.10130	30.7
147.11697	38.2
149.09644	3.4
149.13271	25.1
151.11134	1.7
151.14822	1.9
155.08554	4.9
156.09360	4.6
157.10118	17.9
159.11707	36.6
161.13277	26.6
163.14841	17.3
165.12823	1.8
169.10179	8.1
171.11702	18.8
173.13289	26.5
175.14812	17.1
177.16399	7.8
181.10236	2.7
183.11748	10.7
185.13261	14.6
187.14799	19.6
189.16391	13.4
191.18077	2.4
195.11739	3.8
197.13293	7.3
199.14832	12.0
201.16411	14.8
203.17949	10.6
205.15820	2.1
207.11894	1.6
209.13220	2.1
211.14883	7.7
213.16428	12.0
215.17986	11.6
217.16032	2.4
217.19608	6.7
221.13219	1.9
223.14917	4.3
225.16496	7.4
227.17938	9.1
229.19487	7.2
231.21117	1.8
235.14882	2.3
237.16472	2.4
239.18015	4.9
241.19588	6.0
243.21103	6.4
245.22742	1.9
250.11935	1.8
251.18028	4.5
253.19656	5.3
255.21056	7.3
257.22537	3.2
265.19366	2.3
267.21039	4.4
269.22641	4.4
279.21078	2.4
281.22656	3.3
283.24283	3.5
293.22626	2.0
309.25888	2.8
323.27383	3.2
349.29276	2.0
391.33823	2.0
395.33371	1.7
503.62555	1.7
607.52411	16.3
625.53442	80.8
626.54071	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.5
52.30664	1.3
53.03956	3.8
55.01849	1.8
55.05506	16.9
57.07068	5.0
59.04996	2.5
65.03955	3.2
67.05505	35.6
69.03428	2.1
69.07069	29.6
77.03894	2.0
79.05494	27.6
81.07056	100.0
83.04977	8.0
83.08624	11.5
84.92179	1.7
85.06537	2.7
90.69255	1.4
91.05483	27.1
93.07047	50.3
95.04958	4.4
95.07990	4.0
95.08607	73.9
97.06532	4.4
97.10162	6.8
99.08112	2.1
104.06338	1.6
105.04486	1.9
105.07030	47.9
105.07700	3.3
107.08588	59.1
109.06526	2.8
109.10155	49.5
111.11723	3.3
116.06356	1.7
117.07016	6.5
118.97677	1.6
119.08582	46.3
121.10143	38.1
123.11707	21.4
129.06999	2.6
131.08580	18.2
133.10132	36.6
135.08047	2.0
135.11690	29.9
137.13280	5.5
142.07806	5.0
143.08549	9.6
144.09343	2.8
145.10127	28.8
146.10828	1.5
147.11691	25.2
149.09598	10.7
149.13266	19.1
151.11272	3.2
151.14809	2.0
155.08609	4.4
156.09302	3.1
157.10112	15.0
158.10869	2.5
159.11687	32.9
159.35597	1.6
161.09563	2.3
161.13235	25.0
161.59644	1.7
163.14804	12.7
168.09204	1.8
169.10207	6.1
171.11723	14.6
173.13264	21.9
175.14836	17.7
177.16403	6.3
181.10088	2.0
182.10953	2.9
183.11716	7.1
185.13278	12.1
187.14815	16.4
189.16367	14.6
191.18013	3.0
193.10191	2.4
193.16063	2.3
195.11761	2.9
197.13278	7.2
199.14758	8.6
201.16396	9.2
203.18004	6.4
207.11632	1.9
209.13168	4.0
211.14842	7.2
213.16321	9.1
215.17917	8.5
217.15993	1.8
217.19537	4.0
222.31461	1.7
223.14899	3.2
225.16455	4.5
227.17979	6.0
229.19522	4.4
231.21049	2.8
237.16463	4.7
239.17906	2.9
241.19556	5.1
243.21172	4.0
253.19740	3.4
255.21132	3.2
257.22662	3.4
267.21033	4.5
269.22714	2.5
271.24057	2.4
281.22653	3.0
307.24310	2.2
309.25861	2.2
323.27509	1.6
335.27469	2.3
337.29080	3.1
475.39542	1.8
607.52301	10.5
625.53387	65.6
625.63672	3.5
626.53729	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	625.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.05516	18.7
57.07079	8.5
65.03928	2.4
67.05186	2.4
67.05509	36.5
69.06731	2.6
69.07075	30.9
69.15382	19.6
79.05078	2.6
79.05502	35.8
80.44933	1.5
81.07059	100.0
83.05020	2.1
83.08610	11.2
85.06524	4.0
91.05486	25.6
93.07050	61.4
95.04945	3.2
95.08612	77.5
97.06541	2.3
97.10177	6.2
97.50957	1.6
98.20796	4.2
105.03268	1.8
105.04535	2.4
105.06320	2.7
105.07035	53.1
107.08601	65.5
109.06511	3.7
109.10164	56.2
111.08089	2.5
111.11710	3.4
115.03864	1.5
117.07027	6.5
119.08586	55.0
121.10150	58.5
121.36224	1.9
123.07976	1.9
123.11710	22.7
125.09631	3.2
129.07027	4.9
131.08595	15.5
133.10136	37.8
135.11691	34.6
137.09644	2.3
137.13284	8.5
141.06978	2.1
142.07745	1.6
143.08589	12.8
144.09348	2.0
145.10129	33.8
147.11691	33.1
149.13293	23.8
151.11086	2.1
151.14771	2.1
155.08571	5.0
156.09384	4.9
157.10121	21.1
158.10872	2.1
159.11707	35.7
161.13261	30.6
163.14844	16.0
165.12721	2.0
169.10153	8.9
171.11702	18.4
173.13278	28.6
175.14809	17.3
177.16362	9.1
181.10168	2.8
183.11626	13.1
185.13290	16.6
187.14853	18.2
189.16411	14.1
191.17961	4.0
195.11771	3.5
196.12498	2.9
197.13255	8.7
199.14812	16.1
201.16376	14.6
203.18008	9.0
209.13335	5.0
211.14832	7.1
213.16302	11.2
215.17989	11.9
217.19604	9.4
223.14864	4.9
225.16411	6.3
227.17914	11.1
229.19514	8.5
237.16446	3.3
239.17996	7.1
241.19545	7.1
243.21095	3.0
251.18045	3.7
253.19553	6.1
255.21077	8.1
257.22733	2.1
259.20428	2.2
265.19565	2.5
267.21130	5.5
269.22714	6.2
279.21103	3.0
281.22632	4.4
283.24310	2.7
293.22684	2.7
295.24332	3.2
299.27390	2.4
309.25928	4.4
321.25964	2.3
323.27396	3.2
335.27435	2.5
349.29083	2.8
539.45422	2.1
607.52289	15.1
613.29742	2.2
625.53442	84.2
626.53400	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	625.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35384	1.3
51.02373	1.8
53.03938	4.2
53.48812	1.4
54.47386	1.4
55.05513	19.4
57.07066	5.7
62.75909	1.4
65.03955	2.7
67.05508	39.5
69.07072	32.4
70.61477	2.5
70.61816	3.2
71.08619	1.2
74.66570	1.4
79.05495	32.8
81.07058	100.0
82.01883	1.4
83.04959	1.7
83.08630	10.5
85.06559	2.8
91.05487	27.3
93.07048	64.6
95.04969	3.3
95.08608	88.0
97.06528	2.8
97.10169	5.4
103.05497	2.4
105.04533	1.6
105.06317	2.3
105.07031	58.1
107.08597	63.1
109.06562	3.7
109.10156	48.6
111.11726	3.1
115.05461	2.9
117.07041	6.4
118.07774	1.4
119.08582	48.7
119.09878	1.9
121.10147	51.3
123.08064	1.6
123.11705	19.8
125.09678	3.5
128.06169	1.9
129.07019	3.2
130.07816	1.7
131.08565	16.0
133.10141	38.0
135.11688	28.9
137.09688	2.0
137.13255	6.3
141.07031	1.7
142.07831	3.1
143.08588	11.7
143.87216	1.4
144.09349	2.7
145.10129	33.3
147.11702	34.3
148.12132	1.4
149.13252	26.1
149.14381	1.9
151.11165	1.9
155.08577	4.6
156.09308	3.5
157.10150	17.8
159.11699	34.6
161.13248	24.7
163.11188	1.9
163.14812	14.9
169.10144	6.6
170.10905	2.0
171.11674	16.0
172.08940	1.4
173.13260	22.4
175.11258	1.8
175.14819	18.8
177.16411	6.0
179.08592	2.0
183.11771	9.2
185.13228	14.4
187.14803	18.7
189.16362	12.1
191.17982	2.3
195.11765	4.0
197.13306	10.0
199.14787	9.8
201.16385	14.7
203.17909	8.9
209.13252	5.4
211.14894	5.9
213.16357	12.5
215.18005	8.0
217.19618	4.4
223.14851	4.2
225.16475	6.1
227.18008	6.1
229.19556	4.8
231.21202	2.1
237.16431	4.0
239.17847	3.4
241.19600	5.0
243.21135	3.1
245.18947	1.5
245.22806	1.6
251.17891	2.0
253.19592	4.3
255.21013	7.0
257.22644	3.1
263.17896	1.7
265.19635	2.0
267.21140	4.2
269.22723	5.6
271.24335	1.9
281.22739	3.0
283.24219	3.2
285.22253	1.9
321.25754	2.0
323.27533	2.9
325.28848	1.9
327.26828	1.4
332.54321	1.8
335.27267	2.9
339.26907	2.0
349.29150	1.9
351.30533	2.3
365.32462	1.7
373.28516	1.6
387.30502	1.9
389.32272	1.9
403.32983	1.7
447.65198	1.7
471.40106	2.0
543.45758	2.2
607.52490	14.1
625.53418	77.1
626.53522	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	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02380	0.2
53.03945	1.1
55.01868	0.2
56.00989	0.1
57.03429	0.1
58.99585	0.1
61.02906	0.2
65.03942	0.2
69.03432	0.5
70.06599	0.8
70.60617	0.2
70.60966	0.4
72.08167	0.3
74.41627	0.1
77.03922	0.4
78.11943	0.2
79.05489	0.2
81.03414	0.2
82.33400	0.2
85.02904	2.1
86.06084	0.2
86.09717	0.3
91.05486	4.0
93.07043	5.6
95.04975	0.9
97.02891	0.5
103.05463	3.8
105.04527	0.7
107.04961	2.9
108.05289	0.1
109.02854	0.2
116.10758	0.4
116.19421	0.2
119.04939	0.5
121.06507	100.0
122.06828	1.1
127.03887	0.4
142.08647	0.3
145.04948	0.5
147.04419	2.5
212.16524	0.4
226.14334	0.4
244.15408	1.3
285.11255	0.6
525.23364	0.2
626.23389	0.3
645.33673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03950	1.0
55.01871	0.5
55.05514	1.2
69.07069	2.1
70.06601	1.2
71.18630	0.8
72.08144	0.7
73.81015	0.5
79.05508	1.6
81.07054	1.1
83.04986	1.6
84.08157	0.4
85.02914	0.8
86.06068	7.3
87.23608	0.4
93.07049	0.7
95.04957	1.4
95.08570	0.5
96.08148	2.5
98.06051	0.6
98.09696	3.3
101.06031	1.4
105.04523	0.6
107.04961	100.0
108.05286	0.9
110.16800	0.4
111.04440	2.6
115.07578	0.8
116.10738	10.4
119.08593	0.9
120.08199	0.4
122.09708	0.5
124.07581	0.6
129.05486	0.6
131.87599	0.4
134.09674	0.6
140.10677	0.5
142.08641	5.3
155.07051	0.7
164.10710	2.1
173.08127	0.6
182.15425	1.6
184.13388	0.7
184.31798	0.4
188.11568	0.4
190.12291	1.7
198.14894	1.2
208.13336	2.4
212.16490	1.2
226.14377	12.0
230.17435	0.5
244.15456	62.9
245.15758	0.9
340.21118	1.2
358.22287	3.6
406.20773	3.1
512.24768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91671	0.3
57.03411	0.4
58.56589	0.2
61.02913	0.6
66.04123	0.2
68.99795	0.4
69.03440	2.1
71.05009	0.3
71.15067	0.5
71.15401	0.2
78.92413	0.2
81.03426	1.4
85.02452	0.4
85.02911	6.4
97.02907	1.9
99.04468	0.4
109.02870	0.9
110.16148	0.2
111.00813	0.9
121.02838	1.0
127.03971	1.2
137.02330	3.0
138.09091	0.3
145.04945	0.8
149.02322	0.3
153.01839	3.3
161.05981	0.4
163.03876	0.4
165.01857	1.8
173.06047	0.3
183.02881	1.0
183.04338	0.3
199.21178	0.2
201.05539	1.3
229.04980	4.1
247.06024	0.8
257.04440	2.5
274.04620	0.7
285.03946	1.0
303.05002	100.0
304.05286	1.2
432.18402	0.3
432.97006	0.3
465.10364	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	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01867	0.5
56.13485	0.2
57.03438	0.5
61.02922	0.9
68.99786	0.4
69.03436	2.3
71.16224	0.4
71.16598	0.2
73.02898	0.3
81.03410	1.5
85.02908	5.5
87.04457	0.2
91.03967	0.2
95.04993	0.2
96.67307	0.2
97.02893	1.8
99.04449	0.4
109.02868	1.0
111.00812	0.7
120.08110	0.4
121.02855	0.9
127.03934	1.0
135.04391	0.2
137.01367	0.3
137.02345	3.4
137.03369	0.2
138.09106	0.6
145.04971	1.1
149.02344	0.5
151.41223	0.2
153.01836	3.8
161.06021	0.3
163.03860	0.3
165.01840	1.5
166.02663	0.3
173.06058	0.3
183.02885	0.8
187.04036	0.3
195.02921	0.2
201.05460	1.1
205.04988	0.4
219.06483	0.3
222.99280	0.2
228.04155	0.2
229.04993	3.9
247.06044	0.6
257.04471	2.7
274.04755	0.8
285.04022	1.1
303.05002	100.0
304.05481	1.0
311.11865	0.2
451.94229	0.2
465.10361	7.1
465.17508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69801	0.2
53.03948	0.5
53.95356	0.2
55.01878	0.3
57.03426	0.4
61.02924	0.8
65.03951	0.3
66.53829	0.2
67.06802	0.2
68.99782	0.5
69.03441	2.1
69.54128	1.8
70.06586	0.9
72.08127	0.3
73.02901	0.3
81.03416	1.2
85.02914	7.3
86.09714	0.5
91.03957	0.4
95.04939	0.3
97.02907	1.7
99.04453	0.3
107.04953	1.0
109.02898	0.9
111.00799	0.8
116.07113	0.3
121.02878	1.1
121.97373	0.2
122.38996	0.3
127.03951	1.5
127.08856	0.3
137.02347	3.1
145.04959	2.0
145.05971	0.3
145.06505	0.3
149.02332	0.7
153.01848	4.2
161.06021	0.4
163.03938	0.3
165.01872	2.1
173.05963	0.6
183.02888	1.1
187.03906	0.3
201.05498	1.2
205.05049	0.3
229.04979	4.7
247.06085	1.0
257.04538	2.8
274.04883	0.8
285.03912	1.3
303.05017	100.0
303.97852	0.3
304.05371	1.1
358.41666	0.3
394.85382	0.3
465.10379	9.7
465.20883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03944	2.0
55.01869	0.6
55.05500	0.3
56.07060	0.2
57.03437	0.5
62.10057	0.2
65.34460	0.2
67.05516	0.5
68.85620	0.2
69.03433	5.5
70.06596	0.5
70.47702	0.2
71.04987	0.8
71.48904	0.5
73.02911	0.6
77.03938	0.7
77.72649	0.2
79.05490	0.5
80.55195	0.2
81.03419	5.8
81.07066	0.6
83.04984	0.2
84.04482	0.6
84.08133	0.2
85.02914	2.8
85.06529	0.5
86.09704	0.3
91.05479	1.2
93.07037	0.4
95.04955	1.4
95.08619	0.6
97.02889	3.1
99.04476	1.3
102.04688	0.5
103.03979	0.9
103.05469	32.6
104.05799	0.3
105.03436	0.2
105.04517	0.5
105.07020	0.6
107.04954	3.4
107.08623	0.3
109.02882	4.9
109.55296	0.2
117.07036	0.4
119.08617	0.4
121.06446	0.3
123.04396	0.3
123.08001	0.3
127.03927	5.3
129.06982	0.5
131.04929	100.0
132.05272	0.9
137.05997	0.4
145.04948	0.9
145.10103	0.4
149.05962	0.9
166.07748	0.3
167.07082	0.7
171.01750	0.2
179.08691	0.4
181.10124	0.7
187.06035	1.9
190.07809	0.4
191.08530	0.5
203.08643	0.3
205.10104	1.8
207.06570	0.3
215.06827	0.3
215.08591	1.0
217.12334	0.3
233.07855	0.3
233.09676	2.0
241.08536	0.3
243.05040	0.3
261.09036	0.9
275.09091	2.3
279.10049	0.6
293.10056	0.7
293.12985	0.3
303.04965	0.8
311.51773	0.3
317.10162	1.6
335.11282	2.1
459.88263	0.3
492.73196	0.3
627.29865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.00303	1.2
53.03732	0.7
53.03949	6.5
55.01874	3.1
55.05485	0.7
56.96571	0.7
57.03434	4.1
58.57737	0.6
61.02927	1.0
67.05499	1.5
69.03433	47.2
70.06572	0.7
71.01349	3.0
71.05010	4.2
71.49152	1.5
73.02921	10.4
79.05492	1.0
81.03421	40.8
81.07047	1.4
82.50078	0.7
83.01350	1.3
85.02909	25.7
87.04468	2.0
91.05489	10.7
93.07043	1.2
95.01303	0.7
95.04959	2.9
95.08613	1.0
97.02299	1.4
97.02894	19.0
99.00811	4.1
99.04462	11.8
101.02384	0.8
103.03997	4.2
103.05471	39.6
105.07022	1.0
107.04973	2.8
109.02885	36.8
109.10170	1.0
111.04417	0.9
115.03938	1.7
121.10149	1.1
123.04443	1.9
127.03925	47.2
129.06960	1.4
131.04933	100.0
132.05270	0.7
133.10144	0.7
136.63873	0.8
137.02312	0.9
139.03946	0.9
141.01849	0.9
145.04970	8.0
149.05942	0.8
151.03917	1.4
163.03931	0.7
165.01840	1.1
165.07016	2.1
166.07809	4.1
169.04990	3.9
172.25262	0.6
177.18074	0.7
179.03435	1.1
181.05000	0.7
181.10121	12.8
187.06017	16.0
187.07692	0.8
190.07738	1.4
191.08577	0.9
193.05057	0.8
203.08549	2.0
204.09349	2.0
205.10165	11.3
215.05551	0.9
215.08582	14.6
218.07310	0.9
218.17731	0.7
225.04053	1.6
233.09634	16.0
234.58331	0.6
237.97887	0.7
243.05051	5.5
243.08115	2.2
253.06955	0.8
261.09140	10.6
275.09082	0.9
279.10159	2.0
285.05991	1.7
295.40079	0.8
303.04907	1.4
335.11179	3.3
349.16809	1.1
374.09882	0.7
387.08972	1.2
405.13419	1.1
429.10373	4.0
447.11377	1.0
447.17395	0.7
456.52145	0.9
567.24658	1.1
627.23444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.4
53.03953	17.4
55.01876	6.8
55.05508	3.1
57.03447	11.3
57.62120	1.7
61.02937	2.7
63.84987	1.3
65.03950	1.5
67.05496	5.3
69.03433	97.5
69.07077	2.3
70.06604	2.1
71.01351	7.4
71.04998	10.7
71.21147	2.0
71.21497	1.9
73.02920	16.9
79.05489	6.0
81.03425	100.0
81.07049	5.6
83.01350	3.0
83.04966	1.9
83.08594	1.9
85.02908	48.9
86.09711	2.5
87.04463	3.2
91.05485	29.0
93.07048	4.8
95.04986	2.7
95.08601	4.1
97.02898	41.1
97.03527	2.0
97.06538	1.7
99.00836	8.4
99.04464	23.1
103.03962	5.2
103.05467	17.1
105.03403	2.4
105.07048	6.2
107.04967	10.7
107.08604	2.4
109.02887	83.2
109.06509	1.9
109.10133	2.2
111.04465	1.4
115.03951	3.2
116.06207	1.4
119.08611	3.8
121.10158	1.9
123.04452	3.9
127.03924	95.8
129.07025	4.1
131.04947	14.2
133.10110	2.2
137.02345	4.6
137.05978	3.3
139.03976	1.7
143.08525	1.8
145.04973	20.6
147.04353	2.0
151.03966	3.1
153.07014	2.0
161.13164	1.8
163.03894	1.5
165.07033	6.4
166.07771	12.1
167.07133	1.7
169.04996	10.0
170.35962	1.6
171.04399	1.8
179.03456	1.9
179.08580	4.4
179.10674	1.4
181.10127	39.9
181.11652	2.7
187.06026	43.1
190.07829	3.0
191.08521	3.0
202.07835	2.6
203.08603	5.4
204.09317	3.4
205.10167	23.3
207.02925	2.3
215.08585	34.4
218.07361	2.0
225.03870	2.4
233.09627	38.3
243.05051	8.9
243.08081	4.9
261.09103	28.6
279.10217	7.5
285.06061	4.8
303.04852	10.9
325.07376	1.8
429.10495	9.0
447.05136	1.4
447.11475	5.8
627.22333	1.5
627.33020	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	627.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01885	0.4
55.05505	1.1
56.05029	1.8
67.05507	1.0
69.03423	1.0
69.07071	0.7
70.06594	1.7
70.61442	1.2
72.08142	0.5
77.03896	0.4
79.05499	2.5
81.03424	0.8
81.07058	1.4
82.06573	0.5
83.08602	0.6
84.08147	83.7
85.02908	1.2
85.06536	0.4
85.08466	0.4
86.09716	1.4
91.05491	0.9
93.07044	1.1
95.04968	1.5
95.08612	0.8
97.02888	0.7
97.06514	0.5
98.20891	0.4
99.04454	0.5
103.05456	0.8
105.04510	0.6
105.07020	1.0
107.04959	100.0
108.05258	0.7
112.07644	0.5
119.04926	0.5
125.09664	0.4
127.03934	0.6
128.07127	0.7
129.10245	2.3
130.08661	4.4
131.04918	1.2
133.06493	0.4
135.11682	0.5
137.05962	1.2
145.06534	0.7
147.11339	2.0
149.05952	0.7
149.13268	0.9
161.05975	0.6
167.07112	0.7
169.09819	0.6
173.06104	0.4
175.07610	0.4
176.10689	0.5
177.05499	1.3
181.05019	0.8
185.02444	0.4
187.10854	0.4
197.06006	0.4
206.18130	0.4
212.16512	1.4
221.08188	0.5
227.17241	0.4
233.17822	0.4
251.07124	0.5
269.21823	0.4
273.88995	0.4
278.21069	1.1
295.23682	0.9
296.22195	5.4
299.02206	0.4
299.05557	0.9
303.05182	0.6
321.84756	0.4
323.23288	0.6
341.24310	0.7
359.25421	64.3
360.25735	0.8
418.16199	1.7
454.87262	0.4
465.30182	0.5
521.31360	0.6
627.22821	0.5
627.35345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01864	10.4
55.05515	39.7
57.03433	25.8
57.07090	4.2
59.04995	3.0
65.03941	6.1
67.05507	89.3
69.07071	33.4
69.14574	4.6
69.14967	22.0
71.04998	6.8
78.44897	3.1
79.05494	76.7
81.03430	3.0
81.07059	100.0
83.04997	7.4
83.08611	19.4
85.02892	2.5
85.06547	5.6
91.05482	69.9
91.06029	4.2
93.07046	79.2
95.04996	8.7
95.08610	76.6
97.06562	8.1
97.10181	9.2
99.08058	10.7
105.04517	3.6
105.06332	3.4
105.07029	65.7
107.04961	8.2
107.08595	53.3
109.06545	9.9
109.10160	44.5
109.10842	3.4
111.08112	7.0
112.76649	2.2
113.09650	4.2
115.05420	3.5
117.07020	25.7
119.08581	56.4
119.09368	3.4
121.06486	4.6
121.10155	35.9
123.08076	8.5
123.11725	18.2
125.09659	10.2
128.06230	5.7
129.07007	11.5
130.07816	2.3
131.08578	42.9
133.10141	45.9
135.08086	3.7
135.11696	25.0
137.09631	5.2
137.13235	4.0
139.11192	2.3
141.07028	6.8
142.07820	5.0
143.08545	18.4
144.09393	2.6
145.10130	36.2
147.08199	3.3
147.11691	26.8
149.09605	15.3
149.13239	16.1
151.11220	5.8
155.08568	12.3
157.10138	25.1
158.50237	2.5
159.11720	39.3
161.13243	15.0
163.11232	6.6
163.14857	7.0
167.08591	3.9
169.10168	14.3
171.11700	17.3
173.13264	21.5
175.11212	2.6
175.14874	8.2
177.12833	3.1
177.16493	5.1
181.10159	3.8
183.11703	11.7
185.13232	19.1
187.11240	2.5
187.14816	11.7
189.11255	2.7
189.16440	2.9
191.14348	3.0
195.11757	4.9
197.13248	10.8
199.14888	9.5
201.16473	5.8
203.14371	6.8
203.18028	3.9
205.15936	4.3
209.13374	4.7
211.14903	6.8
213.16472	7.3
215.18036	4.9
219.17453	14.9
221.13333	3.1
223.14862	3.1
225.16507	4.9
227.12859	3.2
227.18068	5.6
231.21106	2.7
239.18169	4.2
241.19644	7.3
243.21213	3.7
256.95001	2.3
257.19025	12.6
259.20682	9.2
261.22321	4.8
267.16187	3.2
275.20074	48.1
275.22849	4.0
277.21729	5.1
285.22278	3.7
293.21194	7.5
297.22354	2.8
303.05252	3.0
313.79279	2.3
317.24890	2.9
323.23749	3.3
333.24405	6.7
335.25827	28.8
349.23663	20.6
351.25626	2.6
409.30945	3.1
463.35632	2.9
468.48441	2.5
515.37354	4.6
517.40680	6.8
527.37433	2.9
529.38690	4.5
535.41815	11.3
553.42572	5.6
555.40509	29.0
591.44324	3.8
609.45135	56.4
609.52722	2.4
627.46210	86.4
627.55096	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	627.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.4
53.03941	6.8
55.01860	6.2
55.05269	2.1
55.05514	25.8
57.03445	7.8
57.07081	8.8
60.97534	1.5
61.46587	1.6
61.78183	1.7
65.03934	3.7
67.05511	67.6
69.03432	2.4
69.07074	30.0
69.17738	3.7
69.18129	15.9
71.04987	5.7
71.07755	1.8
71.08637	3.7
71.52028	1.5
77.63379	1.6
79.05502	60.6
80.05043	1.5
81.03406	2.6
81.07064	99.6
82.07362	2.1
83.04988	10.6
83.08626	13.8
85.06540	4.1
91.05488	47.3
93.07054	78.8
95.04981	12.5
95.08616	71.1
97.06554	7.7
97.10175	9.2
99.08089	3.0
102.37653	1.6
103.05441	1.9
105.04530	4.1
105.07040	50.1
107.04973	9.3
107.08599	50.8
109.06538	10.8
109.09479	2.6
109.10168	37.0
111.08076	4.7
115.05463	2.5
116.06264	1.7
117.07018	16.8
119.08590	41.3
121.06515	11.6
121.10159	31.8
123.08057	6.0
123.11720	13.3
125.09624	2.6
128.06247	1.9
128.39432	1.7
129.06993	7.2
131.08580	30.8
133.06488	4.6
133.10149	31.2
135.08047	6.8
135.11710	24.6
137.09628	2.1
137.13228	3.8
143.08572	9.3
145.06538	1.8
145.10143	28.4
147.08026	3.4
147.11694	23.7
149.09633	7.4
149.13278	16.8
150.21611	1.7
151.11165	5.2
151.14874	1.9
155.08551	3.5
157.10138	9.2
159.08028	2.7
159.11716	22.0
161.09605	4.5
161.13278	13.4
163.11241	8.2
163.14809	8.0
165.12743	2.8
169.10164	4.4
171.11690	7.7
173.13310	18.8
175.11185	3.3
175.14833	7.9
177.12708	4.5
177.16411	4.5
181.10147	2.0
183.11674	4.7
185.13301	7.6
187.11305	2.2
187.14908	10.3
189.16342	3.5
197.13254	4.6
199.14839	4.7
201.12781	3.9
201.16365	4.9
203.17961	3.9
207.13780	3.1
209.13287	2.7
211.14851	1.8
213.16464	3.0
215.17984	4.9
217.19518	1.8
219.13750	3.2
219.17642	1.9
225.16431	1.9
227.18024	2.1
229.19553	5.6
239.17995	4.1
241.19536	2.4
243.21088	4.4
247.20668	4.6
255.21091	2.1
255.92731	1.7
257.19031	13.1
261.22098	9.5
275.20084	100.0
277.21692	2.5
293.21158	22.2
296.33276	2.1
303.05051	2.6
335.25845	40.5
336.26202	2.0
337.27225	1.9
349.23734	54.1
350.24048	1.8
367.24911	6.9
535.41425	2.7
541.39014	3.5
576.13953	1.7
609.45184	39.9
609.53711	2.7
610.45428	1.7
627.45673	17.9
627.54846	16.9
630.83752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05508	1.4
62.59586	0.8
62.67294	0.7
67.05509	1.4
71.48424	0.8
73.61733	0.8
79.05505	1.5
81.07052	2.8
91.05499	1.6
93.07042	2.3
95.04958	0.9
95.08638	1.6
95.59670	0.8
97.06551	1.0
105.07033	1.2
107.04948	1.0
107.08608	1.1
109.10188	0.9
119.08605	1.6
121.10166	1.4
123.08046	1.2
131.08569	1.4
133.10132	0.9
151.07672	0.9
153.26389	1.0
157.10092	0.8
171.11794	1.2
181.10315	0.9
204.50668	0.8
244.44891	0.9
277.40759	0.8
388.60388	0.9
395.66135	1.0
396.12195	1.4
397.13040	1.4
400.15189	1.3
409.13071	1.0
410.13876	4.2
411.14511	7.6
412.15378	5.3
413.16165	5.5
423.14780	1.0
424.10901	1.9
424.15555	2.7
425.16357	14.7
426.16937	10.9
427.17438	4.5
428.18692	4.0
437.16180	1.1
438.13272	3.3
439.13504	21.7
440.18915	8.0
441.19327	42.6
442.19656	2.2
450.17111	1.0
452.14441	5.4
453.15372	23.0
454.15775	7.0
456.18002	1.6
457.15225	1.0
467.17239	26.7
468.17874	21.0
469.18863	13.7
470.19302	1.3
471.16870	1.6
472.17636	1.3
481.14478	9.1
482.15689	2.0
484.21710	4.3
485.17972	1.3
495.17075	3.0
496.17023	14.9
498.18939	1.9
499.19653	2.1
500.20975	4.8
509.17969	2.1
512.20776	3.2
513.21765	6.5
514.22046	1.7
523.19788	2.4
525.17957	1.4
541.20905	47.3
542.21460	1.2
569.20355	100.0
570.20313	5.6
573.23236	2.3
597.19800	26.6
598.20038	2.0
600.21716	1.6
601.22919	12.9
629.22369	72.4
630.22614	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	629.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66920	1.1
52.40851	1.1
53.03931	4.6
55.01852	3.2
55.05515	28.5
57.03440	9.2
57.07078	6.0
61.38874	1.0
65.03941	3.3
67.05507	64.4
68.05839	1.3
69.03432	1.7
69.07072	39.5
71.04980	4.3
71.08620	3.6
71.09594	1.1
71.09917	2.0
75.36204	0.9
79.05492	39.3
81.03426	1.3
81.07058	100.0
82.07385	3.2
83.04960	3.3
83.08618	17.7
85.06560	5.2
85.10212	1.5
89.06007	2.4
91.05482	36.5
93.07046	52.8
94.07378	1.3
95.04980	5.9
95.08610	76.4
96.08929	2.1
97.06525	6.5
97.10166	10.9
99.08087	6.0
105.07034	44.8
106.07307	1.2
107.04943	2.1
107.08592	50.1
107.09315	2.5
108.08875	1.6
109.06533	5.6
109.10161	48.1
110.10468	2.0
111.08067	3.7
111.11681	2.8
113.09637	2.1
117.07024	11.7
119.08584	39.2
119.42231	1.2
120.08874	1.3
121.06482	1.0
121.10146	32.2
123.08060	2.6
123.11712	22.7
125.09636	3.7
128.06248	1.2
129.06987	7.5
130.07883	1.2
131.08572	22.0
132.08759	1.1
133.08560	1.3
133.10138	30.9
135.08060	2.2
135.10725	1.4
135.11707	25.1
136.03903	1.3
137.09641	1.4
137.13251	6.4
139.11205	1.2
141.06996	1.8
142.07750	1.4
143.08549	10.3
145.10112	23.7
147.11681	20.8
149.09608	4.8
149.13257	19.4
150.13582	1.2
151.11194	3.3
151.14844	1.7
153.12741	1.2
155.08522	3.4
157.10161	9.2
159.11694	23.3
160.11989	1.4
161.13275	15.1
162.13727	1.2
163.11134	3.1
163.14841	10.1
165.12750	1.7
168.57910	1.1
169.10098	5.0
171.11697	10.3
173.13258	15.4
174.13660	1.5
175.14830	8.4
177.12801	1.5
177.16431	7.0
179.14282	2.2
181.10092	1.6
183.11694	4.2
185.13260	9.8
187.14850	9.6
189.16365	6.2
191.17964	3.3
195.11765	1.3
197.13220	2.7
199.14879	5.9
201.16388	6.9
203.14275	3.1
203.18005	5.2
205.15900	3.0
205.19363	1.2
209.13272	2.1
211.14825	2.3
213.16371	5.2
215.17999	5.4
217.19501	4.1
219.17494	7.5
219.20927	1.6
225.16391	1.6
227.12764	2.5
227.17917	2.6
229.19521	3.9
231.21103	2.6
239.17940	4.1
241.19481	1.7
243.21112	3.5
245.22693	2.7
253.19569	1.3
255.21179	1.7
257.18964	4.4
257.22549	2.0
259.20496	1.4
261.22095	1.6
267.15875	1.1
267.21246	1.3
269.22586	2.7
271.24265	2.9
275.17361	1.3
275.20111	17.2
277.21613	3.5
283.24216	2.4
285.25748	1.4
291.19775	1.7
297.25705	1.8
311.27112	1.4
331.22559	1.5
335.25662	2.1
337.27313	14.6
341.28333	1.4
349.23523	5.8
427.94452	1.1
446.42780	1.2
517.39026	1.9
519.41455	2.3
531.40253	5.0
537.43127	2.6
557.41864	9.4
611.46356	27.5
611.55359	7.7
629.47296	19.1
629.56195	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01861	7.4
55.05516	35.2
57.03423	9.7
57.07064	11.0
59.04982	3.0
65.03927	3.8
67.05508	79.5
68.05842	3.0
69.06741	3.2
69.07073	31.9
69.50381	19.6
69.84938	3.0
71.04999	2.8
71.08633	41.9
79.05498	71.6
80.05828	6.6
81.03397	9.1
81.07059	100.0
82.07388	6.5
83.04992	7.1
83.08616	20.2
85.06548	7.6
89.06024	5.4
91.05482	53.8
92.05833	3.8
93.06494	5.0
93.07052	92.1
95.04958	11.7
95.08612	79.9
96.08952	4.7
97.06509	11.7
97.10166	7.5
99.08091	23.0
105.04504	5.3
105.06391	4.6
105.07034	46.7
106.07355	5.7
107.04942	6.5
107.08591	47.9
108.08900	6.3
109.06525	7.1
109.10168	29.8
111.08100	4.8
113.06036	4.1
117.07049	17.3
119.08611	34.6
120.08898	3.8
121.10150	41.8
122.10484	3.1
123.08031	3.4
123.11701	9.0
125.09650	3.0
129.06995	8.2
131.08572	31.8
133.08597	5.0
133.10144	28.9
135.08043	7.6
135.11691	35.2
142.07764	2.8
143.08556	8.0
145.10120	22.8
147.11714	19.5
149.09573	5.6
149.13243	17.6
151.11174	7.9
157.10081	6.8
159.11699	19.3
161.13295	16.1
163.11183	7.2
163.14835	8.9
165.12746	4.0
169.10074	3.6
171.11707	11.2
173.11777	3.7
173.13260	10.9
175.14841	7.6
177.12756	4.0
177.16309	4.1
179.14302	34.7
183.11635	4.9
185.13336	5.4
187.14853	6.9
191.14233	3.6
191.17442	2.9
195.11812	3.5
199.14838	6.4
201.16345	7.9
209.13387	3.2
213.16467	3.2
219.17453	7.9
220.17725	9.9
221.18080	3.0
225.16351	2.9
241.19598	5.0
243.21062	7.6
259.20566	3.5
261.22134	10.8
275.20105	7.7
276.20291	7.5
277.21634	41.8
291.19507	6.7
292.14828	3.0
295.22690	5.5
317.24680	9.2
335.25821	40.6
336.26239	8.4
337.26587	4.2
351.25281	35.6
513.39172	11.6
515.37146	9.1
529.38611	4.1
531.40308	8.5
555.44232	3.0
611.46527	74.3
629.47473	31.7
629.56219	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	630.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.07079	31.4
59.04993	0.7
66.39037	0.6
67.05501	2.1
69.07060	2.1
71.04966	1.1
71.08637	20.9
73.06561	8.2
79.05505	2.1
81.07054	2.2
83.08628	2.7
85.06519	0.6
85.10181	18.6
85.48193	0.6
87.04472	6.7
88.36147	0.6
89.06034	100.0
91.05466	1.1
91.07594	1.2
93.07068	1.7
95.04967	0.7
95.08593	1.8
97.10189	3.5
99.11723	4.6
105.07018	1.9
107.07072	2.0
107.08569	1.4
109.10141	1.1
111.11660	1.2
113.13277	1.7
117.09135	8.1
119.08592	1.3
121.10191	1.6
127.08681	0.6
130.08649	2.5
131.07039	1.9
133.08611	48.8
135.08008	0.9
145.10074	1.1
155.17940	3.8
161.11774	1.3
161.13074	0.8
175.09775	1.6
177.11224	18.8
177.12695	1.3
199.20534	4.4
214.15051	0.7
221.13834	3.7
228.87135	0.7
240.23256	1.1
243.23204	5.8
265.16547	1.7
287.25824	4.8
327.20215	0.8
365.13611	0.7
459.28214	1.9
561.00311	0.7
613.45135	3.1
630.47809	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	632.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03947	1.0
55.01868	0.6
69.03423	0.3
69.07052	0.2
70.06587	0.8
71.48136	0.3
77.03918	0.4
79.05492	1.9
81.03410	0.3
81.07060	1.4
84.08121	0.2
85.02920	1.1
86.09690	0.4
91.05491	0.5
93.07063	0.9
95.04971	0.8
97.02882	0.4
105.04524	0.3
105.07068	0.5
107.04957	100.0
107.08578	2.8
108.05267	0.5
109.06530	0.2
112.11525	0.2
119.08579	0.3
120.08066	0.3
121.06499	0.8
121.10117	0.3
127.03946	0.3
127.07554	0.2
133.06534	0.2
135.08067	0.4
136.07524	0.2
139.07539	0.7
145.04996	0.5
145.06494	0.4
147.04431	0.3
147.08023	0.5
149.09651	1.4
157.06503	0.3
159.08098	0.9
163.06107	0.3
167.10683	1.8
171.08069	0.4
205.08580	0.3
211.11201	0.4
213.12733	0.5
221.01805	0.2
227.14330	0.2
237.12762	1.4
255.13766	1.0
273.14825	1.6
289.44293	0.2
290.09634	0.2
325.11331	0.3
384.99887	0.2
545.88208	0.2
632.28351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01880	9.8
55.05521	28.9
56.39961	4.5
57.07068	13.6
59.04996	11.2
67.05507	33.4
69.03419	16.4
69.07063	23.8
69.15767	49.6
71.04990	13.8
73.06557	6.7
79.05498	35.1
81.07067	59.1
82.07401	5.3
83.04987	25.3
83.08619	38.5
85.06551	24.1
87.04485	6.5
91.05489	62.4
93.07049	64.8
95.04994	29.4
95.08614	39.6
96.69128	4.1
97.06535	46.4
101.06035	6.0
103.05468	9.0
105.07034	100.0
107.04977	8.0
107.08603	77.9
109.06503	23.0
109.10144	32.5
111.08078	20.9
113.09661	13.9
115.05479	8.1
117.07005	31.5
119.08590	82.7
121.06499	18.7
121.10143	68.7
123.08067	21.7
123.11726	9.8
125.06008	15.2
125.09654	32.6
128.06224	11.9
129.06978	19.0
130.07791	10.3
131.04903	7.6
131.08568	47.6
132.09332	8.7
133.06448	6.9
133.10153	55.7
135.08057	21.9
135.11707	13.8
137.09595	17.6
139.11163	21.0
141.07014	13.6
142.07809	29.6
143.08566	53.6
143.10692	45.5
144.09334	14.0
145.06485	24.3
145.10135	89.2
147.08040	18.6
147.11700	20.1
149.09607	19.6
153.09091	7.2
154.07800	8.8
155.08580	24.2
155.10681	19.2
156.09351	22.7
157.10138	79.7
158.10886	9.7
159.06761	5.8
159.08080	20.6
159.11731	43.2
160.08853	66.7
161.09644	20.4
161.13338	5.8
163.07571	7.5
163.11223	33.5
165.07027	10.9
167.08545	19.1
167.10683	24.6
168.09415	7.7
169.10110	34.4
170.10956	12.5
171.11708	41.5
173.09604	11.1
173.13237	16.3
175.11235	14.0
178.50348	5.1
179.08586	14.3
180.09361	9.6
181.10155	27.0
181.12282	45.3
182.10892	16.3
183.11684	28.0
185.09677	6.9
185.11726	37.0
185.13301	21.3
186.13919	5.9
187.11282	6.9
187.14798	9.8
189.12730	6.9
191.14311	6.6
192.09412	8.5
193.10150	14.4
194.10898	11.6
195.11722	26.6
195.13243	4.5
196.12468	13.4
197.09695	5.9
197.13239	48.1
198.13948	8.8
199.11203	6.9
199.14787	18.2
201.12773	9.7
203.14357	12.9
206.10838	8.5
207.11638	17.3
207.13560	4.8
208.12488	6.7
208.14526	7.7
209.13310	29.8
210.14078	6.3
211.14822	23.3
213.12802	11.5
213.16380	8.2
215.14287	29.5
216.93277	5.7
217.10182	4.9
218.10966	5.7
219.11697	7.6
219.17416	5.3
220.12257	6.0
221.13223	15.2
221.15393	39.6
222.13860	6.2
223.14836	19.8
225.16400	11.3
227.14488	6.8
229.15970	6.1
231.11693	4.8
233.13290	10.9
233.15396	40.3
234.16147	6.1
235.14729	6.9
237.16435	13.3
241.15985	7.2
241.19739	5.2
245.13264	7.1
246.16203	10.0
247.14777	8.1
247.17017	7.5
249.16484	7.1
251.18016	8.8
253.15784	5.5
255.17477	24.6
261.16196	6.4
262.17078	5.6
273.18640	8.0
275.17865	8.2
281.19101	11.1
283.20380	7.6
285.18594	5.8
286.19287	15.9
287.20117	9.8
293.18759	5.0
299.20276	11.7
311.20132	6.2
313.27179	5.7
333.22159	6.1
345.22357	5.2
365.25055	6.1
407.79510	6.0
632.43573	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	633.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03935	1.8
55.01866	0.8
55.05511	1.3
56.96570	0.8
57.03428	0.6
60.17432	0.4
60.48087	0.4
66.83564	0.3
67.05508	3.1
67.13925	0.3
69.03430	1.7
69.07073	1.2
69.75889	2.2
73.02919	0.4
79.05498	4.8
81.03426	4.0
81.07059	3.7
83.04988	1.0
83.08600	0.5
85.02913	1.8
91.05499	5.1
93.07042	4.2
95.04969	2.5
95.08607	3.1
97.02889	1.2
97.10146	0.5
103.03942	0.6
103.05480	0.5
105.04517	0.8
105.07035	3.7
107.04964	100.0
107.08610	1.9
108.05253	0.8
109.02881	1.0
109.06524	0.6
109.10188	2.0
111.04424	0.7
111.08119	0.6
115.05496	0.8
115.92355	0.4
117.07023	1.8
119.04995	2.0
119.08588	2.6
121.02910	0.6
121.06505	3.2
121.10155	2.4
121.33479	0.4
123.08090	0.8
127.03910	0.9
128.06253	0.8
129.06987	1.9
131.04947	1.9
131.08582	2.7
133.06503	8.2
133.10127	2.1
135.08072	1.3
135.11690	0.9
136.93130	4.0
137.06061	1.0
141.07030	1.0
142.07771	0.4
143.08594	1.2
144.05716	0.9
145.06496	5.1
145.10126	1.9
147.08058	2.9
147.11716	0.9
149.06001	1.9
149.09642	0.9
151.07629	0.5
153.06935	0.8
154.94170	7.5
155.08568	1.0
157.06506	4.7
157.10136	1.1
159.08046	2.5
159.11726	1.3
161.09642	4.9
163.11249	0.5
163.32275	0.4
165.07016	0.9
167.08592	0.7
167.10764	0.6
169.06496	1.1
169.10162	0.7
171.08055	4.0
171.11671	0.9
172.95262	5.4
173.05965	1.4
173.09651	2.2
173.13306	0.6
175.11232	2.7
177.95732	0.4
179.08531	1.0
181.06573	0.9
181.10118	0.8
181.12299	0.6
182.07266	0.5
183.08035	3.3
183.11723	0.8
185.09607	3.7
185.13275	0.5
187.11211	1.3
189.12831	0.6
190.96309	1.3
191.08676	0.5
195.08119	2.0
195.96799	0.5
196.08868	0.5
197.09596	2.9
199.07542	0.8
199.11211	1.8
201.12779	1.4
201.60640	0.5
203.08830	0.4
203.14247	0.4
207.07967	0.6
208.08926	0.4
209.09669	2.3
210.96854	1.2
211.07593	0.6
211.11223	1.9
213.09204	2.9
213.12801	1.6
221.09680	0.8
221.15504	0.7
223.11180	1.3
225.09251	0.4
225.12784	1.3
227.14316	1.4
228.97879	1.7
235.11214	1.0
237.12788	1.4
239.14296	1.0
241.15938	0.5
245.09360	0.4
246.10385	0.4
246.98666	0.5
247.11351	0.5
249.09183	0.6
249.12761	0.6
251.14378	1.0
253.15952	0.6
263.14450	0.6
280.97272	0.6
297.18527	0.4
298.99115	1.9
307.17398	0.4
316.99542	1.7
317.17938	4.2
321.18555	0.5
335.18988	1.5
363.19186	0.4
363.23322	1.2
365.24765	1.2
367.22714	0.5
377.24930	0.6
403.24637	0.5
453.16934	5.0
467.24545	0.5
469.27188	0.5
470.31885	0.5
471.18213	7.2
471.29037	1.7
473.27191	0.7
491.28275	0.9
494.20258	0.5
509.29001	1.6
525.28461	1.2
527.30212	2.4
537.30365	0.4
541.18750	0.4
561.29272	0.6
579.31647	0.6
597.31891	1.5
615.32666	2.0
633.23242	4.2
633.34265	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	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
53.48081	1.6
55.01867	5.4
55.05515	22.7
57.03442	6.1
57.07063	3.3
59.04984	3.4
59.52967	1.7
64.65081	1.7
65.03951	5.0
67.05513	100.0
69.03094	2.8
69.03440	35.7
69.07074	14.4
69.62366	8.6
71.04990	4.3
77.37746	1.7
77.69685	1.7
78.22595	1.6
79.05077	3.1
79.05499	39.7
81.03429	27.2
81.07066	52.3
83.04996	8.9
83.08638	13.0
85.02919	3.9
85.06523	4.5
91.05490	38.9
93.07052	40.6
95.04491	1.4
95.04986	13.4
95.08616	26.5
97.02921	2.0
97.06543	5.0
97.10165	5.7
98.20770	3.5
99.04447	3.4
103.05518	2.3
105.04513	2.5
105.07040	29.6
107.04943	8.7
107.08609	25.9
109.02872	3.8
109.06529	9.6
109.10167	62.4
111.04451	7.8
111.08071	4.3
113.06133	1.6
115.05452	2.3
117.07031	18.2
119.08601	25.6
121.06530	4.4
121.10148	17.4
123.08081	6.6
123.11703	5.2
125.06000	3.5
125.09620	5.4
127.03899	4.1
128.06248	4.8
129.07037	8.1
131.08594	17.6
133.06496	4.6
133.10159	17.0
135.08038	3.6
135.11688	6.7
137.05971	3.6
137.09631	5.8
139.07565	2.0
139.11189	1.9
141.06985	4.9
142.07780	3.6
143.08560	11.6
144.09312	2.7
145.06493	3.2
145.10126	19.5
147.08046	5.9
147.11714	8.5
149.03894	1.7
149.09663	4.2
149.13271	5.2
151.07561	2.9
155.08548	5.2
155.10666	4.4
156.09360	1.9
157.06508	2.7
157.10173	8.9
159.08078	3.8
159.11700	10.5
159.32341	1.6
161.09636	7.3
161.13313	5.8
163.07433	2.8
163.11182	4.0
163.14998	2.4
165.09155	3.7
167.10751	1.7
169.10132	7.7
171.08110	2.6
171.11684	6.9
173.09622	3.9
173.11758	14.2
173.13286	6.5
175.11195	3.0
175.14874	2.7
179.08644	1.7
181.10095	4.4
181.12314	2.9
183.08057	3.0
183.11714	6.3
185.09630	2.6
185.13313	4.8
187.11168	3.3
187.14912	4.0
189.11234	5.1
189.12804	2.9
191.10594	1.9
195.11723	4.0
199.11279	3.3
201.12816	3.9
203.14394	2.4
207.13875	1.9
209.13246	2.4
213.12756	3.3
221.15405	7.9
223.14850	2.3
227.12718	2.4
229.14317	15.2
233.08089	2.5
245.13725	2.8
259.20691	3.2
261.22260	2.0
277.21771	2.3
285.22290	1.9
286.19250	1.9
297.22281	1.8
301.21527	6.1
315.23181	3.0
323.23608	2.2
341.24670	2.4
345.24557	2.1
351.23267	5.6
369.24283	10.5
372.09705	2.2
387.25195	7.5
394.38596	1.8
443.28146	4.3
461.29111	4.5
489.35544	2.4
597.37604	5.1
615.38800	6.9
633.13690	2.1
633.40076	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	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
53.48081	1.6
55.01867	5.4
55.05515	22.7
57.03442	6.1
57.07063	3.3
59.04984	3.4
59.52967	1.7
64.65081	1.7
65.03951	5.0
67.05513	100.0
69.03094	2.8
69.03440	35.7
69.07074	14.4
69.62366	8.6
71.04990	4.3
77.37746	1.7
77.69685	1.7
78.22595	1.6
79.05077	3.1
79.05499	39.7
81.03429	27.2
81.07066	52.3
83.04996	8.9
83.08638	13.0
85.02919	3.9
85.06523	4.5
91.05490	38.9
93.07052	40.6
95.04491	1.4
95.04986	13.4
95.08616	26.5
97.02921	2.0
97.06543	5.0
97.10165	5.7
98.20770	3.5
99.04447	3.4
103.05518	2.3
105.04513	2.5
105.07040	29.6
107.04943	8.7
107.08609	25.9
109.02872	3.8
109.06529	9.6
109.10167	62.4
111.04451	7.8
111.08071	4.3
113.06133	1.6
115.05452	2.3
117.07031	18.2
119.08601	25.6
121.06530	4.4
121.10148	17.4
123.08081	6.6
123.11703	5.2
125.06000	3.5
125.09620	5.4
127.03899	4.1
128.06248	4.8
129.07037	8.1
131.08594	17.6
133.06496	4.6
133.10159	17.0
135.08038	3.6
135.11688	6.7
137.05971	3.6
137.09631	5.8
139.07565	2.0
139.11189	1.9
141.06985	4.9
142.07780	3.6
143.08560	11.6
144.09312	2.7
145.06493	3.2
145.10126	19.5
147.08046	5.9
147.11714	8.5
149.03894	1.7
149.09663	4.2
149.13271	5.2
151.07561	2.9
155.08548	5.2
155.10666	4.4
156.09360	1.9
157.06508	2.7
157.10173	8.9
159.08078	3.8
159.11700	10.5
159.32341	1.6
161.09636	7.3
161.13313	5.8
163.07433	2.8
163.11182	4.0
163.14998	2.4
165.09155	3.7
167.10751	1.7
169.10132	7.7
171.08110	2.6
171.11684	6.9
173.09622	3.9
173.11758	14.2
173.13286	6.5
175.11195	3.0
175.14874	2.7
179.08644	1.7
181.10095	4.4
181.12314	2.9
183.08057	3.0
183.11714	6.3
185.09630	2.6
185.13313	4.8
187.11168	3.3
187.14912	4.0
189.11234	5.1
189.12804	2.9
191.10594	1.9
195.11723	4.0
199.11279	3.3
201.12816	3.9
203.14394	2.4
207.13875	1.9
209.13246	2.4
213.12756	3.3
221.15405	7.9
223.14850	2.3
227.12718	2.4
229.14317	15.2
233.08089	2.5
245.13725	2.8
259.20691	3.2
261.22260	2.0
277.21771	2.3
285.22290	1.9
286.19250	1.9
297.22281	1.8
301.21527	6.1
315.23181	3.0
323.23608	2.2
341.24670	2.4
345.24557	2.1
351.23267	5.6
369.24283	10.5
372.09705	2.2
387.25195	7.5
394.38596	1.8
443.28146	4.3
461.29111	4.5
489.35544	2.4
597.37604	5.1
615.38800	6.9
633.13690	2.1
633.40076	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96738	1.5
53.03946	4.6
55.01863	4.6
55.05515	18.1
57.03434	4.6
59.04998	3.1
65.03934	4.3
67.05506	100.0
69.03432	34.7
69.07077	13.8
70.84386	5.0
71.01362	2.2
71.04985	5.0
79.05491	26.6
79.76790	1.4
81.03426	19.9
81.06596	2.6
81.07059	43.1
83.04984	7.3
83.08625	11.2
85.02885	4.3
85.06541	3.2
91.05480	31.6
93.07043	29.7
95.04962	12.0
95.08616	28.7
97.02893	2.5
97.06524	2.9
97.10179	7.0
99.04473	3.0
103.03921	1.7
103.05471	1.7
105.04510	2.8
105.07037	30.6
107.04961	5.8
107.08598	23.3
109.02888	4.2
109.06520	6.8
109.10159	55.7
111.04448	4.5
111.08090	5.5
115.05480	2.7
117.07027	12.3
119.08601	24.5
121.06512	5.0
121.10162	12.8
123.08076	3.8
123.11711	3.4
125.09650	7.4
127.03893	3.6
128.06223	3.6
129.07002	9.8
131.08563	19.6
133.06534	4.0
133.10146	16.5
135.08072	2.4
135.11729	7.7
137.09613	4.6
139.11156	3.0
141.07011	3.6
142.07808	2.9
143.08566	8.7
145.06516	5.4
145.10121	13.9
147.08076	3.9
147.11731	12.1
149.09648	3.4
149.13226	5.3
153.09047	1.7
155.08566	4.6
155.10654	3.5
157.10146	10.3
159.07991	1.9
159.11658	10.5
161.09613	5.0
161.13272	4.4
163.11189	5.5
167.08621	2.1
169.10112	5.1
171.08009	3.8
171.11668	6.7
173.11743	13.9
173.13315	4.6
175.11139	3.7
175.14732	2.0
176.48582	1.5
183.08060	2.1
183.11684	3.7
185.09647	2.5
185.13271	6.2
187.11235	2.9
187.14749	1.9
189.11201	2.5
189.12801	2.1
195.11792	3.5
197.13402	3.5
199.14844	3.1
201.12766	2.0
209.13269	2.6
211.11105	1.7
211.14856	2.8
213.12656	2.0
215.14278	2.2
221.13324	1.8
221.15422	1.8
223.14961	1.7
227.12766	2.0
229.14343	18.2
259.20547	3.6
261.22195	1.8
268.15897	1.6
271.20514	2.5
277.21805	3.8
283.20633	2.7
289.21677	2.4
291.23062	2.4
299.19888	2.0
301.21725	5.6
315.22873	2.8
319.22983	2.3
323.23605	2.2
327.23206	3.3
337.60062	1.9
339.23129	2.0
341.24603	2.6
345.24277	2.5
351.23196	5.5
353.24783	2.0
355.17560	2.2
361.80850	1.8
369.24356	12.3
371.25571	1.9
375.25397	2.0
387.25403	7.4
443.27960	3.6
461.29034	5.9
597.37671	6.1
615.38770	9.3
633.39880	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
55.64968	0.8
56.05042	5.3
58.06613	3.8
60.04527	22.9
61.73571	0.8
68.05041	0.8
69.03421	1.4
69.04540	3.2
69.07067	9.5
69.82350	2.4
69.82740	1.5
70.02964	0.9
70.06585	6.2
72.04513	0.9
72.07755	1.9
72.08155	34.8
73.04027	0.9
74.06077	15.7
84.04516	5.9
84.08138	3.4
85.02890	2.9
86.06036	1.2
86.09706	100.0
90.05541	3.7
96.08052	0.9
97.02856	1.1
98.06061	1.6
98.21442	1.4
99.05595	5.1
101.07146	20.1
107.04977	4.6
110.07139	0.9
110.09682	2.7
112.07616	1.5
112.11249	1.9
113.07077	1.0
114.52536	0.8
116.07092	2.8
117.06613	9.1
120.08121	1.3
128.10709	15.8
129.10249	7.4
131.08141	1.4
136.07581	1.5
138.09190	0.9
141.06555	1.3
145.06082	15.3
147.04369	1.3
151.24687	0.9
155.11763	3.2
159.07671	9.5
162.09114	1.8
173.12862	87.9
177.08711	13.9
180.10193	1.2
183.11333	1.9
185.12749	0.8
185.16476	1.5
186.08902	1.2
187.07198	1.8
198.08765	1.1
201.12341	61.4
204.09808	1.1
206.48969	0.8
208.09694	2.9
213.08696	0.9
214.08264	2.8
215.13963	1.5
216.09833	6.0
228.09869	2.7
232.09303	7.0
234.10870	4.8
240.13463	5.6
241.08315	0.8
243.13359	1.0
258.14590	2.0
265.11795	1.7
267.11133	1.0
269.18539	2.3
285.11996	1.5
288.15585	1.7
296.19724	1.3
299.17361	1.1
303.13031	13.7
309.15836	1.0
314.20776	15.6
321.14038	15.9
327.16574	7.4
345.17706	7.5
356.21490	0.9
383.22794	2.7
396.18793	1.2
398.20370	1.1
401.23886	8.2
409.16077	0.9
414.19839	2.6
416.21457	6.8
422.24020	1.6
427.16943	2.2
430.26578	1.0
432.20764	3.0
434.22449	18.9
440.24893	3.9
454.15457	1.4
458.25861	3.9
472.09323	0.9
472.16138	1.6
500.27893	1.3
509.27182	3.2
517.29633	1.4
527.28217	3.5
545.29169	4.4
576.00348	0.9
598.31812	1.0
616.24158	1.1
616.33020	5.0
634.24976	3.3
634.33923	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	635.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03944	3.3
54.36283	0.7
55.01839	1.2
55.05506	3.2
57.07061	2.6
58.23370	0.8
67.05505	7.1
69.03428	3.0
69.07062	2.6
70.07948	3.7
71.05000	1.1
71.08621	3.0
78.98328	0.7
79.05500	6.5
81.03423	4.0
81.07056	7.6
83.08618	2.0
85.02900	2.3
85.10192	1.8
85.31416	0.8
87.04465	2.3
89.06015	8.3
91.05466	8.3
92.00101	0.9
93.07032	6.5
95.04971	3.0
95.08611	4.6
97.02905	2.8
103.03918	1.1
103.05454	0.9
105.04506	1.5
105.07036	4.8
107.04953	100.0
107.08581	4.1
109.06495	1.2
109.10173	2.9
111.04441	1.0
117.07034	2.0
119.04955	3.2
119.08572	2.7
121.06509	9.9
121.10191	2.1
123.08063	1.1
123.11697	1.0
127.03889	0.8
128.06192	0.8
129.07010	1.8
131.04932	11.6
131.08588	2.6
133.06499	9.2
133.08620	5.4
133.10130	2.5
134.08902	1.3
135.04385	0.8
135.08072	1.6
135.11731	1.8
137.06015	1.3
143.08574	1.5
144.05737	1.8
145.04953	1.1
145.05322	1.2
145.06488	9.9
145.10152	2.0
147.08055	4.5
149.06017	6.5
155.08546	1.4
157.06485	8.5
159.08037	5.5
159.11681	1.2
161.09622	2.9
161.13206	0.9
165.06989	1.1
167.08688	0.9
169.06516	1.5
171.08026	6.4
171.11653	1.0
173.05939	5.2
173.09612	3.7
175.07555	1.6
175.11189	2.4
177.11308	1.2
181.06505	1.7
183.08026	5.2
185.09641	3.7
185.13373	1.0
187.07513	1.4
187.11285	2.0
189.12778	0.8
195.08049	2.4
196.99321	0.9
197.06047	1.3
197.09639	4.6
199.07576	2.0
199.11177	3.2
201.12758	1.5
207.08047	1.4
209.09592	1.8
211.11156	2.9
213.09128	5.2
213.12770	2.9
215.06924	1.4
215.14301	1.1
223.07561	1.1
223.11145	1.3
225.12781	3.4
227.14326	1.3
229.16026	1.0
237.12741	1.5
239.14429	1.3
265.16293	1.1
273.18433	0.9
283.17297	1.3
291.23114	1.8
292.23639	1.7
311.19846	1.4
351.26880	1.0
365.24896	4.8
367.26254	2.4
379.26236	1.1
421.27036	1.0
425.27100	1.0
473.30359	2.1
475.28018	1.2
485.29254	1.7
493.29550	1.4
497.30203	1.7
539.31305	1.9
581.32196	2.4
599.33398	2.5
617.34033	1.5
635.35089	0.9
635.42316	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	635.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08026	1.6
53.03942	2.4
55.01863	1.7
55.05498	4.5
57.03426	1.8
57.07067	1.8
64.65195	1.8
67.05502	12.0
69.03423	4.2
69.07061	3.5
69.25822	7.7
69.26254	7.5
73.92130	1.7
78.74250	1.7
79.05476	6.2
81.03388	3.4
81.07058	11.0
83.04974	1.8
85.02895	2.9
91.05484	11.6
93.07021	6.7
95.04951	3.5
95.08586	7.4
98.20724	3.7
105.07017	7.5
107.04958	100.0
107.07741	1.7
107.08578	5.5
109.10146	5.9
117.07005	3.4
119.04926	3.5
119.08540	6.1
121.06506	5.9
121.10116	2.6
123.08053	3.0
127.03929	2.9
128.06238	2.1
129.06950	2.0
131.04929	13.9
131.08568	1.7
133.06535	9.5
133.10144	2.9
135.08057	2.7
135.11702	1.9
137.05927	3.9
142.07758	1.9
143.08521	4.3
144.05690	2.3
145.06506	10.5
145.10123	3.5
147.08044	5.0
147.11725	2.0
149.03566	1.9
149.05983	8.8
155.08510	3.0
157.06500	11.5
158.88203	1.6
159.08046	6.9
159.11630	2.1
161.05881	2.5
161.09608	5.2
169.06471	3.8
171.08060	8.7
173.05998	4.2
173.09563	4.6
175.11168	2.3
177.12752	1.8
181.06464	2.1
183.08029	6.3
185.09639	5.2
187.11125	2.5
189.12729	2.2
193.09937	2.2
195.08038	1.9
197.09630	4.6
199.11168	5.3
201.12613	3.0
209.09596	3.1
211.07510	2.2
211.11159	4.0
213.09106	8.8
213.12700	3.9
215.06982	2.7
215.14212	2.2
217.08600	2.5
224.34853	2.3
225.12727	2.3
227.14320	3.9
237.09134	3.5
313.12415	1.7
323.19379	1.9
324.45798	1.8
363.56186	1.9
365.24756	5.6
367.26266	2.6
377.24777	2.1
379.26285	2.3
497.30438	3.5
581.31982	2.6
599.33356	4.5
617.35535	3.0
635.35107	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	635.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03937	3.1
55.05492	2.0
64.21029	0.9
65.03959	0.9
67.05507	6.2
69.03407	2.2
69.07056	2.7
69.22836	8.6
79.05488	5.9
81.03433	4.8
81.03821	0.8
81.07059	4.7
83.08600	1.2
85.02884	1.9
91.05488	8.7
93.07055	5.3
95.04951	1.9
95.08630	4.3
97.02871	2.4
99.04430	1.1
103.03981	1.7
103.04794	0.8
105.04538	1.8
105.07024	3.8
107.04958	100.0
107.08601	1.5
109.02895	1.2
109.10170	2.4
111.04440	1.1
115.05450	1.5
115.77899	0.9
117.07030	1.4
119.04940	5.2
119.08561	2.4
121.06495	9.2
121.10107	1.9
127.03931	1.5
128.06189	1.4
129.07016	2.2
131.04938	14.6
131.08543	1.7
133.06509	7.4
133.10146	1.2
135.08034	1.4
135.11673	1.0
137.05975	2.1
141.07004	1.4
142.07745	1.0
143.08517	1.6
144.05678	2.7
145.06505	10.7
147.08049	3.8
147.84680	0.9
149.05989	9.0
155.08553	1.7
157.06485	11.5
157.10150	1.2
158.07346	1.4
159.08069	4.3
161.09567	3.8
167.08585	1.1
169.06496	2.5
169.10196	1.0
171.08051	7.3
173.05989	8.7
173.09509	4.3
175.11156	1.2
180.81412	0.9
181.06506	1.9
183.08023	6.1
185.09651	6.5
187.11139	2.6
193.15939	0.9
195.08139	2.5
196.08801	1.4
197.06009	1.7
197.09650	4.1
199.07553	1.7
199.11182	5.5
201.12822	1.1
209.09619	2.4
211.11180	3.4
213.09117	7.2
213.12714	3.5
215.07030	1.9
215.14272	2.6
217.08601	1.6
221.09634	1.2
223.11168	2.4
225.12686	2.9
227.14285	2.8
237.09064	2.9
237.12805	1.9
239.14273	2.6
241.15918	1.3
251.14214	0.9
253.12334	1.0
253.15903	1.8
265.12332	0.9
267.17432	1.0
323.19855	1.0
347.23819	1.3
351.26605	1.4
363.23322	1.2
365.24805	8.0
367.26312	3.3
375.19601	1.0
379.26260	3.6
381.27951	1.1
397.27307	1.7
473.30453	3.1
475.28250	1.4
485.28793	1.6
497.30313	2.3
511.31088	1.1
516.16821	0.9
539.31433	1.9
563.31592	1.1
581.32202	2.4
599.33423	3.6
617.34216	2.4
635.35138	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	636.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01861	3.4
55.05510	15.4
57.03439	7.6
57.07094	1.3
58.58511	1.1
61.02937	7.3
65.03946	1.6
67.05508	30.0
69.03426	16.9
69.07068	14.8
69.85345	7.3
70.06584	3.4
71.04987	3.2
73.02906	4.1
75.48463	1.3
79.05495	41.8
81.03422	8.1
81.07059	39.6
83.01339	1.9
83.04961	1.8
83.08618	9.4
85.02908	100.0
85.06551	1.8
86.09702	2.0
87.04459	2.3
87.06564	1.4
91.03945	5.8
91.05484	25.5
93.07045	55.7
95.04996	7.1
95.08611	27.5
97.02898	24.5
97.06522	3.3
97.10184	4.0
99.04465	5.0
100.11250	1.6
103.05460	1.7
105.04553	1.7
105.07033	21.9
107.04961	24.0
107.08601	37.1
108.05253	2.0
109.02880	8.9
109.06476	1.6
109.10151	13.5
111.08053	1.4
117.07009	9.1
119.08586	13.5
121.06528	1.8
121.09339	2.3
121.10157	30.9
123.11684	2.5
127.03917	24.4
129.07005	5.1
131.04907	2.9
131.08577	15.5
133.10135	21.0
135.11705	27.9
137.06007	1.9
137.09651	1.6
137.13208	1.9
139.11232	3.1
143.08562	3.8
145.04968	54.8
145.10124	8.1
147.11736	6.1
149.09570	1.9
149.13268	17.0
150.13535	1.7
155.87527	1.2
157.10126	3.8
159.11696	21.8
161.13263	2.6
163.06020	21.8
163.11067	2.0
163.14799	3.2
169.08537	1.2
171.11670	3.1
173.13248	12.7
175.14847	3.5
181.12257	1.7
183.07616	1.3
183.23387	1.2
185.13286	3.5
193.12198	1.4
193.15901	2.4
195.13756	1.8
199.14775	3.6
213.16345	1.6
227.12778	3.1
229.14363	2.2
231.17412	1.7
241.19458	5.1
243.82599	1.2
259.20639	12.8
277.21634	43.2
325.11267	3.8
337.82431	1.2
421.25562	2.0
439.26425	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75613	0.7
58.57835	0.6
67.05449	1.7
71.49158	1.0
72.73042	0.7
79.05426	1.9
81.06950	2.0
91.05420	1.1
93.06985	1.6
95.08521	1.6
107.04851	1.1
109.10132	0.8
117.39787	0.7
119.08481	0.9
122.27908	0.7
129.06915	0.9
149.13141	0.9
374.16068	1.0
375.17047	0.7
377.17825	0.8
378.17969	0.9
385.14877	1.2
386.15448	1.5
387.16293	0.9
388.17621	1.3
389.17856	1.3
391.19177	2.7
392.19931	1.3
393.20734	2.9
398.15814	1.0
399.16101	2.0
400.16953	2.8
401.17825	4.6
402.18939	0.9
405.16586	0.7
406.21307	0.9
407.22162	3.6
411.16696	0.8
413.17596	4.5
414.18616	5.1
415.19397	9.6
417.21335	0.8
421.20248	3.2
425.17697	1.2
427.19525	1.7
428.20618	4.6
429.15826	0.7
429.21155	9.1
430.21472	3.0
431.18182	0.9
435.21609	2.9
439.19720	1.1
441.17169	1.7
442.17953	2.6
443.17975	3.0
443.22513	4.6
444.18192	3.5
444.23819	2.3
445.20255	2.2
448.93521	0.7
455.18942	1.6
456.19476	1.3
457.20642	6.1
458.21396	4.2
461.19507	1.1
462.20767	1.1
463.21216	1.0
471.22305	8.3
472.23608	4.2
473.19275	3.3
474.20493	1.9
484.18948	1.1
485.19934	3.5
486.20627	5.7
487.21353	3.1
488.21881	0.9
489.22974	1.1
490.19739	3.3
499.21326	10.5
500.22900	3.7
502.19562	1.4
503.25098	5.2
513.19092	1.2
516.22028	1.0
517.22424	4.9
527.20789	2.5
528.21997	0.8
531.23962	11.9
543.22144	0.8
549.24780	1.3
559.23450	100.0
560.23853	3.2
577.24170	1.1
587.22870	17.1
605.23975	1.2
619.25549	98.4
620.25867	3.0
637.26624	11.1
637.41760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05463	1.0
69.23891	4.4
69.24538	0.6
69.51354	0.6
73.57804	0.5
75.48744	0.5
79.05479	0.5
81.07004	0.9
95.08540	1.0
107.04874	0.6
109.24946	0.5
193.86925	0.5
270.57672	0.7
376.16876	0.9
377.17627	0.6
383.01508	0.6
387.16394	0.7
388.17877	0.7
389.18292	1.5
390.18640	0.8
391.19067	3.0
392.20038	1.4
399.15958	1.6
400.17053	2.1
401.17761	2.1
403.19470	1.7
404.20700	1.9
405.20813	6.0
406.21606	6.1
413.17764	2.0
414.18463	4.3
415.19211	6.5
416.20605	1.2
417.20865	2.1
419.22992	3.1
420.23102	4.5
421.23923	11.4
427.19583	3.0
428.20010	3.1
429.20761	15.3
430.22028	3.2
431.18546	2.4
431.23138	1.2
432.23502	0.8
433.20029	2.6
433.24362	2.4
434.24521	2.0
441.21088	0.9
442.21597	2.0
443.22672	8.8
444.23444	6.1
445.14081	0.8
445.19916	5.9
446.21143	1.2
447.18277	2.6
452.21698	0.8
455.18610	1.4
456.19238	1.2
457.23840	4.7
458.25024	8.1
459.21802	9.6
460.22800	6.8
461.19357	9.4
470.20975	2.1
471.21875	2.2
472.22684	8.4
473.19174	2.1
473.24216	1.9
474.20261	1.0
475.20996	3.5
476.22083	6.9
477.26712	0.9
485.23624	15.7
486.19879	2.0
486.24234	4.1
487.21497	2.3
488.22247	6.4
489.22708	1.3
490.24197	0.9
491.24185	1.1
492.25284	0.7
493.21939	1.3
499.21616	1.2
500.22159	2.4
502.23508	1.7
503.24472	22.7
504.24576	0.8
505.22098	0.8
513.22986	4.1
514.23590	2.4
517.26257	9.0
529.26013	1.5
531.23639	0.7
535.27087	27.8
536.27240	1.1
545.25513	87.3
546.25934	2.5
549.24707	0.8
563.26453	5.8
573.24963	21.0
574.25061	0.6
577.27972	1.3
578.28442	0.9
605.27625	82.6
606.27625	3.3
637.30237	100.0
638.30963	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	637.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03952	1.7
55.01867	0.5
55.05513	0.6
57.03423	0.3
57.07075	0.2
58.34098	0.2
65.24888	0.2
67.05505	1.3
69.03386	0.3
69.07066	1.1
71.08633	0.3
71.09830	0.3
71.10154	0.4
77.03915	0.4
79.05491	2.3
79.13855	0.2
81.03412	0.8
81.07050	1.7
83.08627	0.3
85.02901	0.3
91.05504	1.3
93.07046	0.9
95.04982	1.7
95.08609	1.0
97.10181	0.2
98.98495	0.2
103.03968	0.4
103.05428	0.3
105.04498	1.1
105.07038	1.0
107.04956	100.0
107.08579	0.8
108.05300	0.6
109.02851	0.3
109.06479	0.4
109.10167	0.5
115.05484	0.3
117.07030	0.5
118.06581	0.3
119.08580	0.5
121.06483	1.5
121.10154	0.5
123.08050	0.6
123.11716	0.2
128.06250	0.5
131.04924	3.6
131.08615	0.4
133.06500	5.3
133.10135	0.3
137.82530	0.3
144.05695	0.7
145.06502	2.4
147.08046	3.4
147.11716	0.3
149.06004	1.0
155.08585	0.4
157.06485	2.1
159.08070	2.1
161.09628	0.4
167.14348	0.8
169.06519	0.5
171.08055	2.4
173.06039	1.6
173.09627	1.1
175.07602	0.3
179.14243	1.1
183.08061	0.6
185.09619	0.6
187.11209	0.5
195.08168	0.3
197.06023	0.5
197.09642	0.4
199.07628	0.4
199.11314	0.3
202.15926	0.9
203.16266	0.4
213.09145	0.6
215.07152	0.3
215.14371	0.4
217.08636	0.6
220.16969	0.3
227.14314	0.9
229.15927	0.5
231.17513	0.7
241.15857	0.4
243.17674	0.3
255.17377	0.3
273.18430	1.9
300.13635	0.8
301.13855	0.6
319.16824	0.2
333.27725	1.3
347.22107	0.5
351.28931	0.3
367.26257	1.8
369.27759	0.6
381.27814	0.6
385.45255	0.2
402.63800	0.3
423.30881	0.4
425.32501	1.5
439.31934	0.6
471.21240	0.3
495.31415	0.3
499.31952	0.4
529.34503	0.5
531.36823	13.6
545.21997	0.3
559.23505	1.9
583.33966	0.4
605.23950	0.6
619.26392	0.4
637.26471	1.0
637.40790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02376	0.4
53.03948	1.3
55.01866	0.3
55.05499	0.4
57.07060	0.1
57.18277	0.1
67.05495	0.4
69.03456	0.1
69.07081	0.5
70.98363	0.1
70.98691	0.2
71.04980	0.1
71.08630	0.1
77.03922	0.4
79.05493	1.8
81.03401	0.3
81.07056	0.7
83.08634	0.2
91.05503	0.5
93.07034	0.4
95.04966	1.6
95.08603	0.6
97.06538	0.1
105.04507	0.8
105.07027	0.3
107.04951	100.0
107.08561	0.7
108.05280	0.4
109.06503	0.5
109.10168	0.2
119.04910	0.2
119.08538	0.3
121.06472	0.1
121.10175	0.4
123.08070	0.6
131.08583	0.1
133.06523	0.3
133.10130	0.2
135.11716	0.2
137.06001	0.2
147.08063	0.1
147.11728	0.1
149.13297	0.1
159.08138	0.1
159.11742	0.1
163.14798	0.1
177.12735	1.3
179.14226	0.5
183.11668	0.1
213.09064	0.5
239.72563	0.1
263.20038	0.7
266.55722	0.1
273.18521	0.2
275.20178	0.1
277.21701	0.3
287.82693	0.1
310.29669	0.1
331.26309	0.1
333.27817	1.7
351.29132	0.4
354.42673	0.1
355.24860	0.2
423.31168	0.4
425.32556	1.9
425.37769	0.2
439.32022	0.6
491.09174	0.1
513.35724	0.1
529.35437	0.7
531.36804	15.5
532.37189	0.6
545.36420	0.1
611.50085	0.1
637.40778	1.1
640.14410	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	637.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03945	1.6
53.84608	0.2
54.31906	0.2
55.01866	0.2
55.05508	0.4
57.07054	0.2
60.63763	0.2
62.45593	0.2
67.05500	0.7
68.41451	0.2
69.07075	0.4
70.03766	0.2
74.10674	0.1
75.94527	0.2
77.03912	0.5
79.05492	1.9
81.03416	0.3
81.07053	0.9
82.53535	0.2
83.08608	0.3
84.91865	0.2
91.05477	0.5
93.07047	0.5
95.04962	1.6
95.08604	0.6
96.13992	0.2
98.21559	0.4
105.04485	1.0
105.07018	0.4
107.04955	100.0
107.08572	0.8
108.05297	1.0
109.06519	0.5
109.10149	0.2
119.04905	0.4
119.08636	0.4
121.06506	0.4
121.10146	0.4
123.08072	0.6
123.11652	0.2
133.06531	0.4
133.10123	0.3
143.00032	0.2
149.13255	0.4
175.14790	0.3
177.12726	1.3
179.14363	0.5
213.09137	0.7
263.20084	0.9
273.18732	0.2
331.26230	0.2
333.27890	1.4
351.28943	0.4
355.24887	0.3
376.65555	0.2
384.82037	0.2
423.31085	0.6
425.32602	2.2
439.32162	0.7
529.35449	0.7
531.36829	16.4
532.36993	0.3
637.41180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.2
51.02370	0.4
51.54104	0.2
53.03944	1.6
55.01869	0.4
55.05511	0.5
57.07068	0.2
65.03926	0.2
67.05513	1.0
67.05800	0.1
69.03419	0.3
69.07053	0.8
69.21956	1.0
69.22362	0.6
71.08633	0.2
75.86516	0.2
77.03933	0.5
79.05488	2.0
81.03408	0.5
81.07050	1.3
83.08617	0.2
91.05483	1.0
93.07038	0.8
95.04977	1.6
95.08607	1.2
97.06541	0.3
103.05483	0.2
105.04534	0.9
105.07040	0.9
107.04955	100.0
107.08596	0.7
108.05284	0.5
109.06551	0.3
109.10162	0.4
117.07072	0.2
119.04942	0.3
119.08571	0.4
121.06522	1.2
121.10136	0.4
123.08081	0.6
127.03904	0.2
129.07014	0.4
131.04926	2.4
131.08569	0.4
133.06494	4.5
133.10107	0.4
135.11678	0.3
137.05936	0.2
141.07094	0.2
144.05739	0.3
145.06508	1.7
147.08057	2.5
147.11656	0.3
149.05984	0.8
149.13232	0.2
155.08568	0.3
157.06474	1.5
159.08060	1.4
161.09653	0.3
167.14343	0.7
171.08049	1.6
173.05975	1.1
173.09657	0.7
177.12791	0.2
179.14336	1.0
181.06540	0.2
183.08092	0.7
185.09615	0.4
187.11237	0.3
195.08043	0.3
197.06009	0.3
197.09628	0.3
199.07555	0.2
199.11250	0.3
202.15987	0.5
202.83081	0.2
203.16202	0.4
213.09172	0.5
213.12663	0.3
215.14343	0.4
217.08672	0.2
217.15833	0.2
227.14279	0.3
229.15930	0.2
231.17424	0.3
241.15932	0.4
255.17503	0.4
267.17389	0.2
273.18536	2.1
297.18375	0.2
300.13580	0.5
301.14044	0.5
331.26126	0.2
333.27896	1.7
347.22186	0.6
351.28995	0.5
353.28745	0.3
365.24982	0.2
367.26154	0.9
381.27985	0.5
383.29526	0.2
423.30832	0.4
425.32733	2.1
439.32263	0.7
457.33194	0.2
487.30786	0.4
525.31647	0.2
529.35046	0.8
531.36823	15.6
532.37213	0.4
559.23334	0.6
565.33398	0.2
637.26550	0.6
637.40601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53162	0.1
52.92517	0.1
53.03945	1.1
57.07066	0.7
62.00144	0.1
69.64613	0.2
69.65018	0.7
72.48019	0.1
77.03944	0.3
79.05495	0.8
85.02904	0.8
85.03342	0.2
85.06545	3.1
95.05006	0.7
97.02911	0.1
105.04533	0.5
107.04959	100.0
108.05273	0.8
121.31993	0.1
137.89873	0.2
145.04971	0.3
145.07556	0.2
145.08609	2.5
191.09160	1.5
217.12936	0.2
366.30231	0.2
368.16431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
51.37579	0.1
53.03944	1.0
55.01860	0.1
57.07078	0.8
61.90550	0.1
69.82469	0.6
71.02336	0.1
75.73049	0.1
77.03928	0.4
78.25716	0.2
79.05485	1.1
81.03424	0.2
83.45969	0.1
84.75225	0.2
85.02892	0.5
85.06549	2.9
95.04994	0.7
97.02884	0.1
105.04527	0.5
107.04962	100.0
108.05289	0.5
124.65363	0.1
140.92641	0.1
145.04979	0.2
145.08611	3.0
159.20529	0.1
180.08662	0.2
191.09142	1.5
196.54893	0.1
284.40506	0.2
346.01718	0.2
652.16943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02377	0.3
53.03948	1.1
55.01866	0.3
57.07067	0.7
61.02922	0.2
62.82139	0.1
69.03434	0.7
71.02656	0.3
77.03934	0.3
79.05493	1.0
81.03419	0.3
81.08952	0.1
85.02911	1.7
85.06549	2.4
85.07028	0.2
85.25464	0.1
95.04971	1.1
97.02890	0.5
99.04483	0.2
103.62997	0.1
105.04529	0.6
107.04963	100.0
108.05300	0.6
109.02901	0.2
111.33418	0.1
127.03929	0.9
145.04977	1.0
145.08615	3.1
163.06055	0.1
191.09174	1.4
317.12274	1.0
332.70276	0.1
335.13339	1.4
337.32437	0.1
374.41876	0.1
431.70453	0.1
433.84845	0.1
449.75366	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	638.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03948	1.2
53.39669	0.1
55.01871	0.4
57.03445	0.2
57.07076	0.3
60.96927	0.2
61.02916	0.2
64.39044	0.1
69.03438	0.5
71.47636	0.1
71.48003	0.2
77.03947	0.3
79.05515	1.1
79.39497	0.1
81.03413	0.4
85.02911	2.5
85.06544	0.6
86.06066	0.3
89.23822	0.1
95.04993	0.9
97.02911	0.7
105.04530	0.4
107.04961	100.0
108.05300	0.6
127.03902	0.6
137.06049	0.2
145.04926	0.7
145.08604	0.4
163.06050	0.3
191.09161	0.3
279.09869	0.2
285.42865	0.1
324.10773	0.2
325.11423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01857	0.3
55.05516	2.5
57.07079	1.4
67.05508	1.4
69.03429	1.1
69.06728	0.5
69.07075	5.0
70.06593	0.9
70.20782	1.1
71.05003	1.5
77.03941	0.6
77.87992	0.3
79.05504	2.2
81.03418	1.0
81.07059	3.7
83.04992	0.7
83.08642	1.8
84.08154	0.5
85.02911	2.5
85.06555	3.5
86.09710	0.6
87.00854	0.4
91.05466	3.8
93.07069	1.7
95.04994	0.9
95.08619	4.4
97.02899	0.9
105.01899	0.6
105.07039	8.4
107.04961	100.0
107.08600	5.7
108.05305	1.3
109.02888	0.6
109.06533	0.3
109.10169	2.7
117.07041	1.5
119.08587	38.2
121.10151	1.9
127.03930	1.5
131.08554	0.8
133.10133	13.7
135.11722	1.1
137.09642	0.4
145.04967	1.0
145.08600	3.0
145.10081	0.9
146.11002	0.4
147.11726	2.4
151.14818	0.4
154.75732	0.3
160.12375	0.4
163.06021	0.4
173.13274	0.7
175.14832	56.5
176.15134	0.4
191.09096	1.7
193.15887	6.3
214.57939	0.3
215.09145	0.8
231.05002	0.3
233.10228	0.9
243.51334	0.3
249.06143	0.4
297.63135	0.3
300.30270	0.3
461.24393	0.3
487.28311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01873	4.8
55.05518	17.5
56.05901	3.7
57.03426	11.0
57.07060	4.4
57.27886	4.2
65.03932	7.4
67.05510	76.7
69.03434	19.9
69.07079	18.0
71.04994	40.0
71.48141	4.3
75.12241	3.1
79.05500	40.0
81.03420	45.2
81.06595	6.9
81.07059	100.0
83.04971	10.8
83.08608	14.8
85.02899	8.7
85.06528	9.2
91.05485	45.8
93.07056	49.5
95.04962	8.6
95.08604	25.8
97.02891	14.5
97.06531	15.5
99.04451	5.9
99.08098	5.9
105.07044	23.1
107.04943	11.6
107.08601	30.7
109.02875	12.6
109.06488	7.6
109.10146	9.2
111.04439	5.3
111.08113	7.7
113.05990	3.7
117.07031	6.5
119.08573	12.9
121.10163	16.8
123.04366	3.4
123.11711	12.8
125.22731	3.3
127.03909	5.9
128.22523	3.7
129.07008	3.7
131.08560	11.5
133.10121	21.9
135.11699	7.4
143.08557	5.1
145.10054	5.1
147.11703	6.9
149.13269	20.6
151.11212	5.5
159.11697	18.7
173.04462	14.2
177.12706	7.8
183.13828	3.7
187.13306	11.6
195.08218	4.3
195.13763	12.9
260.64188	3.3
269.17484	7.8
275.15982	3.5
283.18973	3.8
339.17993	8.1
395.20325	4.4
437.28983	19.0
451.30380	10.8
495.33807	5.6
496.85294	3.9
551.22473	4.7
607.34302	11.9
639.22449	6.0
639.36768	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	639.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05515	2.6
57.07079	1.0
58.06607	6.3
67.05504	1.8
69.07070	1.3
69.27672	3.3
70.06602	0.6
72.08158	10.8
73.06573	1.7
75.19276	0.4
79.05503	1.9
81.07066	1.3
83.04999	1.7
83.08606	0.5
86.09711	20.7
91.05499	1.2
93.07045	1.4
95.02505	0.3
95.04993	0.7
95.08621	1.4
97.06555	0.4
98.06120	0.4
98.09642	0.3
98.20817	0.8
100.11263	100.0
101.06020	2.2
101.11572	0.7
105.07054	1.1
107.04965	17.8
107.08595	1.1
108.05296	6.5
109.05527	0.7
109.06488	0.5
109.10155	0.5
117.07072	0.4
119.08617	0.6
121.10188	0.8
126.33590	0.3
128.10716	0.5
129.06969	0.5
131.08592	0.7
133.06482	0.5
135.11736	0.4
140.14346	3.2
143.08513	0.4
146.11771	2.6
147.08028	0.4
147.11685	0.4
154.12289	1.2
154.15923	0.8
158.81924	0.4
159.11722	0.4
164.10005	0.4
165.19403	0.4
172.13318	1.9
182.11824	0.5
200.16437	1.7
211.14412	0.5
214.14575	0.7
217.24055	0.4
228.15953	6.5
249.19727	0.4
274.18735	0.6
275.20203	0.4
285.21753	6.5
299.23312	8.0
304.46649	0.4
309.21677	0.4
313.21259	0.6
327.22803	12.8
363.36981	0.4
378.40338	0.5
395.25455	1.4
399.28714	0.4
412.31665	0.6
440.31052	2.4
458.32224	5.9
484.33774	0.9
512.32996	0.4
526.34839	0.5
532.37201	1.1
533.37457	2.8
540.35913	0.4
611.43799	32.5
612.44263	0.8
639.43207	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	640.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
53.03947	1.4
55.01869	0.4
55.05497	0.2
56.05032	0.3
60.97675	0.2
65.81403	0.2
67.05499	0.5
68.55573	0.2
69.03421	1.8
69.07070	0.3
69.94899	0.8
71.04990	0.5
77.03938	0.4
78.91753	0.2
79.05495	1.9
81.03415	0.4
81.07030	0.6
83.04975	0.3
83.08586	0.2
85.02914	0.4
91.05481	0.9
93.07046	0.3
95.04964	1.3
97.02915	0.2
97.06545	0.4
99.04441	0.5
105.04533	0.6
105.07034	5.5
107.04957	100.0
108.05282	0.7
109.02887	0.2
111.12915	0.2
117.07016	0.5
119.08598	0.4
121.06529	0.7
125.05984	0.3
129.07072	0.2
130.07835	0.5
131.05000	0.2
131.08565	1.0
131.94441	0.2
133.06464	1.1
133.10123	0.8
143.07054	0.4
143.08525	0.4
144.09351	0.4
145.06502	0.7
145.10129	8.3
155.08504	0.2
157.10127	0.5
158.04576	0.2
158.07271	0.6
159.08069	0.9
159.11696	3.1
161.09621	0.6
169.10150	0.6
173.09621	5.4
173.11057	0.4
179.08556	0.2
187.11192	3.3
189.12704	0.3
191.10649	0.3
197.08101	0.2
197.09612	1.1
205.12242	9.8
211.11215	0.4
211.13295	0.3
215.10678	10.9
233.11719	8.7
251.12822	0.4
293.15482	0.4
295.68396	0.2
309.13412	0.9
311.16415	0.3
319.11755	1.2
321.14899	0.6
337.12830	3.5
338.93512	0.2
339.15976	0.6
355.13870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02381	0.4
53.03955	1.0
53.09429	0.1
55.01864	0.4
55.05511	0.2
62.43600	0.2
67.05512	0.2
69.03426	0.3
69.07065	0.4
70.03847	0.2
77.03920	0.4
79.05498	1.8
81.03413	0.4
81.07072	0.4
83.04981	0.3
85.02887	0.3
91.05501	0.5
93.07070	0.8
94.66580	0.2
95.04976	1.4
95.08589	0.2
97.02880	0.2
97.06541	0.3
97.52254	0.2
98.20646	0.4
99.04471	0.4
100.73798	0.2
105.04521	0.7
105.07039	1.7
107.04959	100.0
107.08595	0.6
108.05296	1.6
109.04394	0.2
109.06512	0.4
117.07037	0.3
119.04932	0.2
119.08591	0.3
121.06502	1.3
125.05993	0.3
129.06976	0.2
130.07822	0.2
131.04912	0.4
131.08569	0.5
133.06514	1.0
133.10182	0.2
135.08052	0.4
143.07079	0.3
143.08589	0.2
145.06514	0.7
145.10130	2.9
147.08017	0.3
155.08565	0.3
157.06503	0.2
157.10159	0.2
158.07280	0.6
159.08089	0.9
159.11713	1.0
161.09618	0.5
169.10118	0.3
171.08060	0.3
172.08794	0.2
173.09639	3.9
173.11069	0.3
179.08559	0.3
183.08057	0.3
185.09576	0.2
187.07596	0.2
187.11197	2.0
191.10715	0.8
197.09619	0.9
205.08681	0.2
205.12268	1.9
211.11159	0.3
211.99092	0.2
215.10677	3.8
225.09181	0.5
227.10632	0.3
229.20888	0.2
229.22878	0.2
233.11734	5.0
239.10713	0.3
251.12659	1.4
275.14160	0.2
279.13922	0.5
293.15460	0.7
311.16525	0.8
319.11725	0.3
321.14853	1.2
337.12796	2.4
339.15869	1.0
355.13824	1.5
357.17114	0.4
415.04697	0.2
459.74518	0.2
483.43924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03940	1.4
55.01868	0.5
65.83101	0.2
67.05489	0.4
69.03423	0.3
69.07070	0.3
70.06591	0.4
71.04985	0.5
77.03941	0.4
79.05498	2.0
81.03417	0.4
81.07068	1.0
83.04982	1.8
84.08140	0.3
85.02863	0.2
86.09679	0.2
91.05479	1.0
93.07056	1.3
95.04960	1.8
97.02882	0.3
97.06550	0.6
99.04472	0.9
105.04513	0.5
105.07030	2.0
107.04958	100.0
107.08611	0.6
108.05287	0.7
109.01749	0.2
109.06516	3.1
111.04451	0.3
117.07025	0.9
119.08612	0.5
121.06503	0.7
123.04456	0.3
125.06019	0.8
129.07028	0.3
131.04889	0.3
131.08575	1.1
133.06502	0.8
133.10114	0.4
135.08055	2.2
137.05972	0.9
143.08589	0.8
145.06494	0.6
145.10118	5.0
147.08040	0.5
149.05980	0.3
151.07579	0.5
153.05510	0.5
155.08539	0.3
157.10152	0.3
158.07288	0.4
159.08005	0.2
159.11684	1.7
161.09602	0.7
163.11183	0.2
169.10135	0.4
171.07980	0.3
173.09621	4.7
187.11186	2.3
189.09166	0.2
191.10690	3.5
191.12352	0.3
197.09616	0.9
205.08653	0.2
205.12225	2.2
215.10713	2.9
225.09140	0.3
233.11728	9.9
234.12195	0.2
239.10687	0.2
251.12798	12.1
252.13078	0.2
311.16507	0.5
319.11673	0.2
321.14902	0.6
329.98923	0.2
337.12747	1.7
339.16113	0.3
355.13907	5.4
503.29132	0.2
662.40167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	38.0
55.28305	6.6
57.03433	38.0
57.07074	52.3
60.97771	7.9
67.05501	57.2
69.07056	29.8
69.12894	15.0
69.13299	72.5
69.55285	8.6
71.04971	8.2
71.08645	42.6
77.14374	7.1
79.05491	39.9
81.07059	71.1
83.08623	22.5
85.10173	14.9
88.06523	7.5
91.05486	58.5
93.07033	51.9
95.08610	47.4
97.10159	10.0
98.21473	13.0
99.08060	7.6
105.07034	63.5
107.08627	42.1
109.10132	26.4
110.35995	7.4
115.05393	7.7
117.06999	21.6
119.08591	40.7
121.10158	23.5
123.11756	10.8
125.09561	8.1
129.07013	14.6
131.08585	26.1
133.10124	28.2
137.09601	8.3
143.08513	13.3
145.10114	37.5
147.07973	7.7
147.11702	26.6
149.09668	11.8
159.11673	35.2
168.59026	7.2
173.13248	15.1
183.11679	9.1
185.13213	21.1
203.14310	13.8
219.17528	12.6
227.12796	22.8
239.17975	16.4
239.23718	8.7
257.18927	22.4
275.20126	54.3
313.27377	100.0
331.22708	17.8
349.23788	49.1
367.06891	7.6
429.85046	8.6
587.46570	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.5
54.48068	4.2
55.05502	24.7
57.03434	18.1
57.07076	62.5
65.03957	4.6
67.05510	74.7
69.07068	36.8
70.88282	10.5
71.08639	41.8
74.70439	4.3
79.05495	49.1
81.03455	7.1
81.07057	77.4
83.04995	10.0
83.08628	20.4
85.06533	5.3
85.10180	20.3
89.06021	9.9
91.05487	41.6
91.14174	4.9
93.07057	58.5
95.04993	12.4
95.08614	56.0
97.06544	7.7
97.10158	10.0
99.08094	5.3
100.04144	4.3
105.07035	35.2
107.08583	34.6
108.76036	4.0
109.06534	6.0
109.10155	23.5
117.07034	21.0
119.08596	28.6
121.10163	14.8
123.11690	6.4
129.07024	10.4
131.08582	15.1
133.10152	25.0
135.11690	18.0
141.83075	5.0
144.10289	4.3
145.10147	12.8
147.11696	17.9
149.09636	5.5
149.13252	16.1
151.11276	5.2
157.10178	6.5
159.11725	17.0
185.13316	4.7
195.13809	8.7
217.15891	8.2
239.17918	7.7
239.23827	5.2
255.15971	19.0
257.19116	9.7
269.17484	26.7
275.20032	33.6
313.27390	98.8
349.23688	16.7
493.38541	23.4
507.40475	100.0
547.43726	9.6
586.45782	5.0
587.46875	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	641.1714
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.01856	0.3
56.05037	0.4
57.03460	0.5
60.04513	0.3
61.02916	1.2
64.28756	0.3
69.03433	2.6
69.07059	0.3
69.28141	2.0
69.28548	0.6
70.06590	2.1
71.04986	0.3
72.08144	1.0
72.81840	0.2
74.06101	0.3
81.03419	1.1
84.04523	0.3
84.08138	1.8
85.02914	7.6
85.08464	0.3
86.09718	1.9
91.03941	0.3
91.05466	0.3
92.02637	0.9
93.03408	0.8
97.02901	2.9
98.97555	0.3
99.04473	0.6
107.04979	1.3
109.02870	0.9
109.10116	0.2
116.07107	0.3
120.08122	0.5
121.02887	0.8
123.04432	0.4
126.03129	0.4
127.03918	1.2
129.10257	1.8
136.07576	0.5
137.05940	0.3
137.62057	0.3
139.03911	0.8
145.04945	1.2
147.04405	0.4
151.03906	1.1
153.01833	5.3
165.01749	0.7
166.62607	0.3
177.05394	0.3
182.46979	0.3
191.14326	0.4
201.05482	0.5
202.16898	0.3
211.07553	0.3
217.04951	0.4
218.05666	0.5
228.04175	1.2
229.04921	2.3
231.02893	0.5
245.04558	0.5
245.18626	0.3
246.05244	1.4
257.04498	1.7
260.02936	0.3
273.03983	1.2
274.04752	3.5
284.03146	0.5
285.03906	3.5
287.05530	1.0
302.04230	10.8
317.06570	100.0
318.06870	1.2
479.11774	6.2
479.18100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1712
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03937	0.4
55.01875	0.3
57.03425	0.7
61.02937	1.1
65.03906	0.2
69.03431	2.0
70.16280	0.9
71.04990	0.4
73.02890	0.2
81.03422	1.3
82.99516	0.2
85.02908	6.3
91.03957	0.3
92.02621	0.4
93.03407	0.7
97.02900	2.3
99.04458	0.2
109.02876	0.8
121.02880	0.6
126.03136	0.3
127.03935	1.3
137.02307	0.3
139.03925	0.7
141.70685	0.2
145.04945	0.8
151.03905	0.8
153.01837	4.9
165.01869	0.6
187.03899	0.2
201.05388	0.5
202.48431	0.3
203.03424	0.3
217.04926	0.4
218.05838	0.4
228.04218	1.1
229.04980	2.3
245.04504	0.9
246.05232	1.4
256.03772	0.3
257.04373	2.1
260.03333	0.4
273.03891	1.3
274.04718	4.0
284.03159	0.3
285.03937	3.5
302.04236	11.8
317.06567	100.0
318.06955	2.1
479.11862	6.8
480.12241	0.3
627.06915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1713
Annotation	Quercetin 7-methyl ether 3-gentiobioside
Peak:m/z	Relative Intensity
50.04370	0.3
51.19408	0.3
53.03944	0.5
53.81508	0.3
54.97871	0.3
57.03428	0.9
61.02935	1.5
69.03433	3.5
69.10474	0.3
69.21200	3.1
70.06596	1.9
70.30781	0.3
71.04989	0.4
72.08147	0.5
73.02903	0.4
79.99120	0.3
81.03423	1.9
84.08147	0.6
85.02908	13.0
86.09726	0.3
87.04466	0.3
91.03948	0.7
91.05499	0.4
92.02623	1.0
93.03397	0.7
97.02900	3.6
99.04439	0.8
107.04942	1.8
109.02885	1.5
110.07189	0.9
120.08098	0.7
121.02890	0.8
127.03912	2.7
129.10304	0.5
139.03873	0.6
140.45473	0.3
145.04970	3.2
147.04324	0.4
150.12878	0.4
151.03899	1.2
153.01830	5.7
153.10246	0.3
163.03976	0.3
163.06017	0.4
165.01804	0.3
165.79988	0.3
183.02782	0.3
200.04677	0.3
201.05432	0.5
203.03267	0.4
217.04829	0.4
228.04164	1.1
229.04996	2.5
231.02945	0.4
245.04501	0.9
246.05309	1.2
257.04401	2.6
273.03940	1.4
274.04703	3.9
284.03195	0.4
285.03961	4.7
302.04196	10.9
317.06567	100.0
318.06894	1.8
329.06351	0.6
338.19601	0.4
359.07773	0.5
469.22766	0.4
479.11835	1.2
491.35596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1711
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01869	0.4
57.03440	0.9
58.81832	0.2
59.24811	0.2
61.02938	1.2
68.61501	0.2
69.03431	2.7
70.44433	0.4
71.04967	0.2
73.02899	0.5
81.03419	1.4
85.02908	7.6
87.04481	0.3
91.03954	0.3
92.02651	0.4
93.03392	0.7
97.02895	2.9
98.20840	0.2
99.04460	0.2
107.04938	0.3
109.02889	0.8
121.02916	0.8
127.03924	1.6
133.02881	0.3
139.03917	0.8
143.01965	0.2
145.04993	1.1
151.03932	0.8
153.00587	0.3
153.01837	5.5
163.03897	0.2
165.01871	0.7
174.03172	0.2
177.05545	0.4
187.00168	0.2
201.05502	0.4
217.04976	0.5
218.05786	0.5
219.01683	0.2
228.04140	0.9
229.04965	2.5
245.04486	0.7
246.05273	1.5
257.04480	2.3
260.03339	0.3
261.07477	0.2
271.06021	0.4
273.03894	1.3
274.04745	4.7
284.03250	0.6
285.03952	4.0
287.05545	0.3
288.06226	0.2
302.04227	12.0
317.06564	100.0
318.06961	1.3
359.07755	0.2
397.20245	0.2
474.06512	0.2
479.11868	7.2
641.18591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03938	1.5
55.01864	0.4
56.05039	0.3
69.03419	0.8
70.06583	1.5
71.48659	0.5
79.05477	1.6
81.03409	0.6
81.07057	0.4
84.08147	0.6
85.02895	1.0
86.09706	0.8
91.05471	0.8
93.07021	0.3
95.04965	1.7
95.08604	0.5
97.02897	0.5
103.05466	3.7
105.04466	0.5
105.07027	1.0
106.06605	0.6
107.04958	100.0
108.05281	1.7
109.02886	0.4
109.06527	0.4
117.07024	0.3
119.04983	0.3
119.08549	0.3
120.08120	0.4
121.06558	0.6
121.10173	0.5
124.14973	0.3
131.04919	5.8
132.05310	0.3
133.06511	1.5
136.07590	0.4
137.05977	5.7
145.02818	0.7
147.04407	1.0
149.05974	1.1
161.06007	0.6
163.03918	0.6
163.07556	10.8
164.07108	0.4
164.08310	1.7
173.05986	0.8
177.05472	3.3
182.04480	0.6
189.05247	2.5
190.06056	0.4
193.04932	0.5
201.05515	2.8
207.06566	0.9
219.06503	0.5
233.08141	0.9
265.08612	0.4
268.64655	0.3
307.09549	0.4
313.11725	0.5
317.06818	2.1
325.10815	1.0
332.65451	0.3
355.12009	0.9
372.12943	0.4
373.13501	2.6
396.58865	0.4
429.14816	0.4
437.14212	0.5
512.19586	0.4
593.03406	0.3
641.24872	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	641.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03938	1.5
55.01864	0.4
56.05039	0.3
69.03419	0.8
70.06583	1.5
71.48659	0.5
79.05477	1.6
81.03409	0.6
81.07057	0.4
84.08147	0.6
85.02895	1.0
86.09706	0.8
91.05471	0.8
93.07021	0.3
95.04965	1.7
95.08604	0.5
97.02897	0.5
103.05466	3.7
105.04466	0.5
105.07027	1.0
106.06605	0.6
107.04958	100.0
108.05281	1.7
109.02886	0.4
109.06527	0.4
117.07024	0.3
119.04983	0.3
119.08549	0.3
120.08120	0.4
121.06558	0.6
121.10173	0.5
124.14973	0.3
131.04919	5.8
132.05310	0.3
133.06511	1.5
136.07590	0.4
137.05977	5.7
145.02818	0.7
147.04407	1.0
149.05974	1.1
161.06007	0.6
163.03918	0.6
163.07556	10.8
164.07108	0.4
164.08310	1.7
173.05986	0.8
177.05472	3.3
182.04480	0.6
189.05247	2.5
190.06056	0.4
193.04932	0.5
201.05515	2.8
207.06566	0.9
219.06503	0.5
233.08141	0.9
265.08612	0.4
268.64655	0.3
307.09549	0.4
313.11725	0.5
317.06818	2.1
325.10815	1.0
332.65451	0.3
355.12009	0.9
372.12943	0.4
373.13501	2.6
396.58865	0.4
429.14816	0.4
437.14212	0.5
512.19586	0.4
593.03406	0.3
641.24872	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	641.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
61.02920	0.7
65.03930	1.3
67.05516	0.8
69.03433	1.3
70.06580	2.5
71.48286	1.0
72.08136	0.8
79.05491	1.9
81.03416	1.6
81.07046	1.4
84.08147	0.8
85.02901	2.4
86.09692	1.3
91.05494	1.1
92.05004	1.7
93.07033	3.2
94.06563	3.0
95.07325	2.2
95.08579	1.0
96.08141	6.9
97.02921	0.7
97.06514	1.7
103.05467	1.1
107.04958	29.4
108.04507	0.9
108.05249	1.0
108.08130	8.0
109.02888	1.2
110.09690	11.3
120.04468	6.7
120.08111	10.0
121.02876	3.4
121.06477	1.1
122.15249	0.7
126.09157	1.4
127.03874	0.8
127.11331	0.9
131.04935	1.2
132.04475	0.7
136.07576	12.8
137.05984	3.3
138.05504	4.4
138.09149	18.0
145.02873	0.8
145.04927	0.8
147.04399	1.1
148.07556	4.1
154.08643	19.4
163.07625	0.8
166.08644	39.9
167.07045	0.9
188.03430	62.4
200.03458	1.7
206.04495	16.2
218.04593	1.8
221.87473	0.8
222.09093	0.8
226.08740	1.0
227.11845	3.8
245.12741	0.7
255.11284	3.1
260.12906	3.5
266.08167	0.9
273.12357	5.0
294.07672	3.0
295.10800	2.6
299.05475	2.4
313.11786	1.2
317.06464	2.4
323.10278	6.2
326.10004	4.3
341.11322	100.0
342.11642	1.2
345.89160	0.7
373.13931	10.6
385.13782	1.3
393.09689	4.9
429.14313	2.4
447.15375	3.0
448.49969	0.8
479.17972	2.5
495.53360	0.8
616.00439	0.7
641.23669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.04447	1.2
55.01867	5.2
55.05512	24.8
57.03452	7.5
61.02926	21.1
65.03937	3.5
67.05508	50.4
69.03429	6.0
69.07070	19.7
70.06583	2.3
70.60760	2.1
70.61100	2.2
71.04983	3.9
73.02917	3.5
77.03934	1.8
79.05497	36.8
81.03422	7.4
81.07060	51.5
83.04978	5.1
83.08624	15.8
85.02909	16.3
85.06532	3.8
91.03948	7.2
91.05484	57.9
93.07045	35.3
95.04972	7.1
95.08610	32.5
97.02908	11.1
97.06554	7.1
97.10178	4.4
99.04467	1.8
99.08104	2.6
103.03930	1.5
103.05473	3.3
105.07037	39.8
107.04957	18.7
107.08603	15.9
109.06539	6.8
109.10166	10.3
111.08076	6.1
115.05458	5.3
116.06272	2.2
117.07021	39.4
119.04934	3.4
119.07278	1.5
119.08594	20.9
121.06511	8.1
121.10158	12.2
123.08075	6.4
123.11755	2.6
125.09642	3.2
127.03937	3.8
127.07559	1.7
128.06209	11.7
129.07010	50.3
130.07787	1.5
131.04921	3.6
131.08569	61.4
133.06517	4.3
133.10130	18.3
135.08083	3.5
135.11703	6.4
137.06024	3.5
137.09627	3.2
141.07001	21.6
142.07770	5.0
143.08562	40.6
145.06470	8.6
145.10129	27.5
147.07996	7.0
147.11685	6.6
149.09608	7.6
149.13278	2.6
151.11211	2.7
153.07024	3.9
154.07762	2.6
155.08572	35.4
157.06525	4.1
157.10121	19.3
159.08037	6.0
159.11688	15.3
161.09615	4.3
161.13200	2.7
163.11209	4.2
165.07007	6.0
165.09132	1.8
166.07788	1.7
167.07216	2.4
167.08568	13.1
168.09302	1.6
169.10138	18.4
171.08076	4.5
171.11685	11.6
173.09671	3.7
173.13271	3.8
175.11156	4.3
177.12758	6.2
179.08563	8.0
180.09241	2.0
181.04955	2.6
181.10130	15.5
182.10847	1.8
183.08000	1.7
183.11697	11.5
185.09666	2.8
185.13301	10.4
187.11234	4.1
187.14883	1.9
189.11266	1.7
189.12852	1.7
191.08646	1.4
193.10144	6.1
195.11732	18.5
197.09659	2.5
197.11639	1.5
197.13232	7.0
199.11205	4.1
199.14864	3.6
201.12759	3.1
203.10551	1.5
205.10229	2.2
205.12250	2.6
207.11684	6.4
207.13673	2.3
209.13356	8.6
211.11246	2.1
211.14803	6.9
213.12782	5.2
213.16397	3.5
215.14363	3.3
217.12241	2.6
219.11742	3.1
219.13742	3.1
221.13275	12.3
223.11307	1.7
223.14827	14.8
225.12790	1.6
225.16408	3.1
227.14322	3.3
229.16039	1.8
231.13817	2.7
233.13304	2.6
233.15294	7.0
235.14992	8.7
237.16444	3.1
239.14262	7.8
241.15871	4.6
243.13832	2.1
245.15337	2.8
247.14856	1.9
249.16431	3.9
253.15962	4.6
257.15356	4.6
269.15436	3.0
271.16876	8.9
275.16223	1.9
285.18591	3.1
305.22610	3.4
315.21127	3.3
317.06589	1.5
323.23526	7.4
333.22159	18.8
341.24713	10.6
351.23196	65.4
359.26065	2.1
369.24258	51.1
386.38675	1.7
387.25296	47.4
387.30118	3.0
388.25650	1.7
425.26938	2.7
437.29657	1.4
443.27911	30.8
461.29010	100.0
462.29556	3.1
479.30319	11.8
641.31903	4.2
651.47540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94991	2.2
53.03944	11.2
55.01859	10.4
55.05276	2.8
55.05514	33.5
56.52688	2.4
57.03426	12.5
61.02924	39.3
65.03947	4.0
67.05509	66.2
69.03442	11.3
69.07071	27.8
70.81237	4.4
71.01353	2.4
71.04991	10.2
73.02924	13.0
79.05077	3.8
79.05495	53.5
81.03412	9.9
81.06612	3.5
81.07062	74.6
83.04979	7.2
83.08630	22.6
85.02908	36.5
85.06532	6.0
91.03974	15.0
91.05485	84.3
93.06484	4.2
93.07043	55.1
95.04943	8.8
95.08615	37.8
97.02902	18.1
97.06520	12.1
97.10163	10.5
99.04465	4.4
99.08067	2.6
103.05456	7.4
105.07031	57.3
107.04962	46.8
107.08602	27.8
108.05267	5.1
109.02834	3.0
109.06528	13.7
109.10162	16.5
111.08066	7.0
113.06052	3.1
115.05455	10.0
117.07021	56.1
119.04956	2.1
119.08586	38.1
121.06492	9.6
121.10114	19.5
123.04373	3.1
123.08062	5.7
125.09595	5.5
127.03914	5.2
128.06226	13.7
129.07013	65.3
130.07828	2.3
131.04916	6.5
131.08572	81.2
133.06470	10.6
133.10152	28.2
135.08029	9.8
135.11674	9.4
137.05959	5.6
137.09589	6.7
139.11099	3.5
141.06978	30.5
141.09093	2.4
142.07755	9.9
143.08571	57.7
145.05113	2.9
145.06459	21.0
145.10129	40.5
147.08023	9.7
147.11722	10.9
149.09615	12.1
151.11179	4.3
152.06102	3.3
153.06973	8.0
154.07761	4.3
155.06023	2.5
155.08554	41.0
156.09286	4.7
157.06483	5.6
157.10132	33.2
159.08028	9.6
159.11697	25.8
161.09616	9.1
161.13260	3.9
163.07635	2.4
163.11163	8.7
165.06949	6.9
165.09100	5.7
166.07770	5.1
167.07028	15.1
167.08551	19.7
168.09288	2.3
169.10139	27.3
170.10495	2.4
171.08049	7.1
171.11726	22.6
173.05984	9.4
173.09608	9.3
173.13266	6.7
175.11171	10.3
177.09056	2.9
177.12785	9.8
178.07877	2.7
179.08546	7.9
180.09367	3.9
181.04976	26.5
181.10120	26.7
183.11729	14.0
185.09663	3.4
185.13312	15.3
187.11201	8.1
187.14789	6.6
189.12767	4.9
193.10107	7.5
193.12038	2.8
195.11708	24.0
197.13292	16.2
199.11232	5.0
199.14783	6.9
201.12747	7.2
203.14386	4.7
205.12231	6.0
206.10881	2.9
207.11691	15.7
209.13313	16.1
211.11200	3.7
211.14838	8.6
213.12724	6.6
213.16409	4.5
214.31526	2.5
215.10748	2.9
215.14297	10.5
219.11769	5.1
221.13287	15.8
223.14827	17.6
225.12726	5.3
225.16400	4.7
227.14362	5.8
229.15866	4.5
233.13261	3.6
233.15355	2.8
235.14871	9.1
237.16432	4.9
239.14310	11.7
241.15903	6.7
243.13785	3.1
243.17268	3.5
245.15488	3.1
249.16396	3.7
253.15887	7.2
257.15375	9.4
259.16943	6.6
261.18500	2.9
267.17419	5.3
269.15378	2.8
271.16956	11.6
275.16461	3.5
285.18506	5.4
295.24197	2.7
305.22571	5.5
307.19095	11.1
315.20978	4.4
317.06476	3.3
323.20291	3.1
323.23578	11.5
333.22086	35.2
341.24713	18.9
351.23212	100.0
352.23618	3.6
357.13153	3.0
369.19604	4.1
369.24249	79.4
370.24341	4.1
370.77368	2.7
385.12747	4.7
387.25354	47.5
390.00769	2.9
405.26657	2.7
416.14374	3.5
417.15384	3.2
425.26715	8.1
443.27927	74.3
461.29010	95.0
462.29391	4.2
479.30054	26.4
617.13403	2.6
641.21930	12.6
641.31879	4.6
660.65796	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	642.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22865	0.1
51.02375	0.3
53.03949	0.9
55.01860	0.3
67.27352	0.1
69.03444	0.3
70.06612	0.6
71.21696	0.2
72.08144	0.1
77.03913	0.3
79.05500	1.1
81.03407	0.2
81.27517	0.1
82.74590	0.1
84.08149	0.1
85.02921	0.4
86.06055	0.1
86.09709	0.2
89.52641	0.1
90.54778	0.1
91.57274	0.1
91.62257	0.1
95.04992	0.8
97.02888	0.2
105.04536	0.5
105.05244	0.1
105.07076	0.1
107.04962	100.0
108.05290	1.1
117.03350	0.1
129.10289	0.2
133.06494	0.2
137.05991	1.3
145.02867	0.5
147.04341	0.1
167.05591	0.1
177.05482	1.8
195.06567	0.5
317.06680	0.1
372.59790	0.1
373.55630	0.1
375.12567	0.5
414.02472	0.1
481.11392	0.2
552.89111	0.1
643.22186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.1
51.02371	0.4
53.03947	0.8
55.01864	0.2
57.03430	0.1
69.03419	0.3
69.92714	0.4
70.06580	0.2
74.11959	0.1
77.03915	0.4
79.05494	1.3
81.03409	0.4
85.02906	0.9
87.00829	0.3
91.05486	2.1
91.06026	0.1
95.04961	1.0
97.02888	0.4
98.21436	0.1
105.01881	0.7
105.04508	0.6
107.04958	100.0
108.05292	0.7
109.02888	0.4
119.04935	0.1
121.06500	0.2
127.03921	0.9
128.01685	0.1
131.05017	0.1
133.06554	0.1
137.05930	0.1
145.04999	0.3
149.05928	0.2
171.08116	0.1
173.05986	0.1
187.07578	0.1
189.03987	0.2
197.09567	0.5
211.20012	0.1
215.07057	0.1
231.04933	0.4
249.06070	0.2
313.10861	0.1
321.09647	0.1
339.10873	0.1
392.59396	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	642.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.1
51.02378	0.2
53.03955	0.7
55.01867	0.3
59.51650	0.1
61.02918	0.1
65.03946	0.1
69.03425	0.2
70.06599	0.2
70.57761	0.2
77.03933	0.3
79.05502	1.1
81.03407	0.3
84.08166	0.2
85.02911	1.0
86.09705	0.1
89.03912	0.1
91.03986	0.1
93.44136	0.1
95.04983	0.8
97.02905	0.3
98.20876	0.1
99.04448	0.1
100.11185	0.1
103.05496	0.1
105.04558	0.5
105.07055	0.1
107.04960	100.0
108.05300	1.0
109.02869	0.1
117.03376	0.3
120.08144	0.1
122.03632	0.1
127.03879	0.1
131.04910	0.3
133.06509	0.3
137.05989	2.7
145.02861	1.2
145.04977	0.3
147.04440	0.1
149.06013	0.3
151.03900	0.1
161.06021	0.1
163.06111	0.1
163.07513	0.1
166.82974	0.1
177.05476	3.7
180.08656	0.1
195.06526	1.6
195.08218	0.1
207.06558	0.9
269.70190	0.1
283.09711	0.1
303.04434	0.1
317.06656	0.3
318.06827	0.2
323.90338	0.1
427.13220	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	642.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.2
51.02381	0.4
51.91353	0.2
53.03948	1.5
55.01871	0.4
55.05509	0.4
67.05513	0.3
69.03423	0.6
69.29351	1.5
70.06580	0.3
71.04997	0.3
73.02870	0.2
77.03898	0.3
79.05492	2.2
81.03387	0.5
81.07052	1.1
83.04965	0.3
85.02921	0.6
91.05474	1.1
93.07040	1.8
93.22523	0.2
95.04967	1.5
95.08577	0.4
97.02877	0.3
97.06537	0.4
99.04472	0.7
103.05474	0.3
105.04531	0.7
105.07051	1.0
107.04959	100.0
107.08589	0.9
107.44198	0.2
108.05284	1.8
109.06516	0.6
113.06070	0.3
115.05487	0.2
117.07057	0.2
119.04952	0.2
119.08610	0.4
121.06512	1.7
123.04438	0.3
127.03938	0.4
127.07562	0.4
129.07050	0.3
131.04938	0.8
133.06493	1.3
133.10081	0.3
135.08083	0.7
137.05971	1.6
138.06390	0.2
139.07503	0.5
143.08527	0.3
145.06502	1.5
145.10130	1.0
147.08025	0.3
147.11697	0.5
149.06018	0.3
151.07492	0.2
153.09129	0.3
157.06525	0.3
157.10153	0.5
159.08083	0.4
159.11784	0.4
163.07549	0.6
163.11206	0.3
167.07028	1.9
171.08069	0.4
171.11740	0.7
173.05949	0.3
173.09683	0.8
174.09969	0.2
175.11211	0.7
177.01085	0.2
181.04970	1.6
185.09665	0.7
187.07568	0.2
187.11243	0.6
189.12749	1.0
191.07066	1.6
197.09605	0.4
199.11185	1.3
205.12303	0.4
207.13853	0.7
209.09766	0.4
211.07602	0.2
213.09163	0.3
215.10742	0.7
217.12283	2.4
225.07465	0.3
227.10745	1.1
235.11021	0.4
235.13293	5.4
239.07063	0.4
241.12186	0.5
245.11670	0.9
247.13269	0.3
253.14359	3.2
259.13370	0.4
263.09268	0.3
263.14380	0.4
281.15436	0.4
295.17072	0.4
299.16495	0.5
305.15460	0.7
313.17886	0.3
323.16403	2.3
339.14441	0.4
341.17590	2.8
357.15347	0.8
359.18597	0.5
385.12003	0.2
417.15851	0.3
480.15878	0.3
481.16818	0.5
552.63684	0.2
642.35797	0.2
642.46161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01862	1.7
55.05515	6.8
57.03427	3.0
57.07067	4.9
57.48714	1.0
61.02906	4.6
63.97833	1.0
67.05194	1.2
67.05514	18.6
67.86175	1.0
69.03437	1.7
69.07071	7.5
69.77670	6.5
71.04977	2.1
71.08620	3.5
79.02287	1.0
79.05141	1.2
79.05500	13.1
80.29864	1.1
81.07064	17.2
83.08608	4.9
84.08140	1.1
85.02892	4.0
85.10187	2.4
91.03931	1.9
91.05489	19.9
93.07045	17.0
95.04943	2.8
95.08607	12.5
96.08919	1.9
97.06541	2.3
97.10147	1.4
105.07043	20.5
107.04961	3.1
107.08612	9.3
109.06529	2.3
109.10155	6.1
111.08099	1.6
117.07051	7.4
119.08605	13.0
121.06465	1.9
121.10143	6.1
123.11684	1.6
125.09609	1.8
128.06218	1.3
129.07014	5.7
131.08565	15.4
133.10146	6.8
133.35640	1.2
135.08063	1.8
135.11691	2.8
137.05931	1.7
141.07028	2.8
143.08571	8.6
145.04849	1.3
145.10100	9.9
147.08063	2.0
147.11681	2.7
149.09615	2.6
155.08545	2.9
157.10103	4.9
159.11679	3.0
159.66895	1.2
161.13255	1.7
167.08478	2.8
169.10133	3.4
171.11693	4.3
173.13322	3.1
181.10202	1.6
183.11717	1.9
185.13261	2.1
187.14787	1.7
187.68881	1.2
197.13208	3.1
209.13347	1.4
211.14848	1.2
219.84833	1.1
223.14717	1.6
225.22147	1.2
299.25778	4.8
300.26154	6.0
325.25211	2.1
335.23553	2.0
343.26477	2.2
353.24731	7.1
371.25775	6.3
389.27039	6.9
445.29538	100.0
446.29739	4.3
463.30634	27.0
464.30984	1.3
476.18326	2.4
532.05139	1.4
563.92639	1.1
597.25171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	1.4
55.05517	4.2
57.03429	1.7
61.02929	2.2
62.31773	0.9
62.33685	0.8
65.03901	1.0
67.05148	0.9
67.05508	16.2
69.07065	4.8
71.04963	1.0
73.02867	0.9
79.05500	12.8
81.03413	1.1
81.07060	16.3
83.04961	1.1
83.08619	2.7
85.02937	2.0
91.05483	16.3
92.77769	0.8
93.07051	14.4
95.04955	2.5
95.08606	10.4
97.06514	2.5
97.10158	1.0
105.07040	19.9
107.04955	2.6
107.08617	8.0
109.06497	2.4
109.10163	4.6
117.07030	9.0
118.77908	0.7
119.08598	9.7
121.06470	1.3
121.10149	4.9
123.08057	2.1
123.11710	0.9
128.06227	1.1
129.07047	7.3
131.08560	14.7
133.06541	1.3
133.10129	6.0
135.08044	1.6
135.11691	3.0
137.09613	1.4
141.06961	2.2
143.08557	5.1
145.06465	1.3
145.10143	8.9
147.08052	1.7
147.11694	1.6
149.09628	1.4
151.07526	0.9
153.07047	1.0
155.08633	4.1
157.10117	2.9
159.11681	3.4
161.09586	0.9
161.13216	1.6
167.08615	0.9
167.83466	0.9
169.10109	2.7
171.11674	3.3
173.13261	2.1
181.10114	1.3
183.11749	1.9
185.13277	1.6
195.11685	1.3
197.13333	1.2
199.14877	1.2
202.98175	0.8
205.55566	0.9
211.14799	1.6
223.14804	1.1
227.14455	1.1
229.15988	1.1
271.06036	1.0
297.18311	1.0
305.24200	0.9
317.06458	1.1
318.06781	1.2
325.25272	1.9
330.13730	2.6
335.23901	1.3
343.26263	1.5
353.24887	4.1
371.25842	5.4
389.26859	6.1
445.29504	100.0
446.29739	3.1
463.30548	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	642.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.8
57.07077	31.7
63.85018	1.1
67.05508	6.4
69.03410	2.6
69.07077	10.0
69.17828	6.7
69.18254	3.9
70.06586	1.4
71.04980	1.4
71.08636	28.5
73.06557	9.2
79.05488	5.6
81.07056	14.0
82.07410	1.8
83.08623	6.0
85.06525	1.4
85.10190	18.6
87.04464	8.6
89.06033	100.0
91.05490	5.7
91.07597	2.2
93.07047	9.1
94.07362	1.4
95.04972	1.9
95.08614	10.5
96.08938	1.4
97.10159	6.3
99.11745	2.0
105.07040	7.1
106.07353	1.7
107.07043	1.5
107.08603	8.6
108.08939	1.2
109.06521	1.3
109.10140	7.9
111.08112	1.3
111.11711	4.1
112.07593	3.4
113.13263	1.3
117.07044	1.2
117.09129	7.3
119.08591	6.3
119.09296	0.9
120.08952	1.6
121.10131	5.6
123.08073	1.2
123.11703	3.3
125.13317	1.9
127.14832	1.5
130.08682	2.1
131.08556	3.9
133.08606	53.2
133.10159	4.6
134.10458	1.6
135.10194	1.1
135.11693	3.7
140.07069	3.8
141.16414	1.9
143.08582	1.8
145.10123	4.0
147.11684	3.4
148.11928	1.5
149.09590	1.3
149.13258	2.6
150.13699	1.1
155.17909	1.2
157.10130	1.9
159.11662	4.7
161.11766	1.5
161.13234	1.4
163.14868	2.1
169.10072	1.7
171.11673	1.9
173.13284	2.8
175.14754	2.2
177.11226	19.7
185.13248	1.5
199.14856	1.8
201.16483	1.8
211.24060	1.7
215.17880	1.2
221.13806	4.3
227.07066	3.1
231.70505	1.1
242.09409	7.9
251.13783	1.0
255.26952	1.6
283.17462	1.9
299.29559	5.1
343.32068	3.6
409.48831	1.4
415.25375	3.6
601.17010	1.1
624.43579	1.6
625.48639	4.8
642.53107	6.7
643.24652	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	643.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06839	0.3
55.01867	0.6
57.03425	1.0
61.02919	1.1
67.05482	0.4
68.99786	0.4
69.03431	4.1
69.62045	1.4
71.04979	0.4
73.02904	0.5
81.03420	1.3
81.07044	0.4
85.02908	15.8
91.03938	0.3
91.05470	0.4
93.07056	0.4
95.08596	0.4
97.02901	3.0
99.04446	0.4
107.04949	0.5
109.02874	1.9
115.05474	0.9
127.03941	2.0
129.07034	0.3
131.04010	0.3
131.04935	0.7
134.36841	0.3
137.05949	0.6
141.06975	4.8
145.04958	1.2
145.06474	1.6
150.53084	0.3
152.06210	0.5
153.05869	0.3
153.06944	1.5
155.08621	2.0
157.06493	0.8
159.08058	0.5
161.09645	0.6
165.06996	4.7
167.08534	0.9
168.05750	0.9
169.06496	11.0
170.07140	0.4
171.04460	1.0
173.06000	0.9
181.06479	2.1
182.07259	0.5
183.04495	0.4
183.08057	7.9
185.05952	0.5
185.09647	0.4
186.06775	0.5
187.07526	0.9
193.06447	0.6
195.08031	0.7
196.05240	0.8
197.05983	26.0
197.09628	1.5
198.06752	2.3
199.07526	0.5
201.09128	1.8
209.05974	0.6
210.06743	0.3
211.05534	0.6
211.07538	10.5
212.08241	1.0
213.05490	0.6
213.09082	1.7
214.06105	1.6
215.07069	0.9
225.05475	16.7
225.08942	4.6
226.05954	0.3
227.07047	0.9
228.07835	0.4
229.08601	19.2
230.08963	0.3
239.07010	2.5
240.07758	0.3
241.08559	2.2
242.05751	1.1
255.06699	0.4
257.08090	100.0
258.08447	1.5
281.08099	0.4
299.09232	0.7
463.30438	0.5
481.16507	1.0
548.59149	0.3
559.33118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03948	1.8
55.01864	0.8
55.05503	0.3
61.02918	0.3
65.03956	0.3
69.03433	0.7
69.07057	0.4
70.06590	3.8
72.08134	0.6
74.25990	0.4
76.36614	0.3
77.03918	0.4
79.05501	2.2
81.03411	0.8
81.07037	0.3
81.35892	0.3
84.08158	0.5
84.10915	0.3
85.02912	1.6
85.06542	0.6
85.26255	0.3
86.06080	0.4
86.09698	1.3
90.33311	0.3
94.04198	0.3
95.04980	2.2
97.02885	0.8
103.05461	0.4
103.84209	0.3
105.04527	1.3
105.07053	0.4
107.04958	100.0
108.05274	2.0
110.07176	0.4
114.13361	0.3
115.07606	0.3
119.04967	0.3
120.08077	0.4
121.10115	0.3
122.03651	0.4
123.04433	1.3
127.03964	0.4
129.03117	0.8
129.10239	0.4
131.04916	0.5
137.02342	2.1
137.05957	2.0
137.28273	0.3
141.10184	0.4
147.01175	0.3
147.04431	0.5
149.06158	0.3
161.06041	0.6
165.01799	0.4
167.06821	1.2
183.02899	0.4
185.04242	3.5
187.07468	0.4
189.05443	0.4
192.21645	0.3
195.06339	1.6
203.05273	7.3
213.07339	32.1
214.07722	0.4
241.04962	0.5
245.04570	0.4
251.10899	0.3
267.08688	0.4
287.05704	0.4
303.05048	0.6
311.12857	0.5
313.12589	0.5
315.04984	21.3
316.05341	0.4
317.06418	0.4
329.12097	1.1
341.06448	0.3
357.11621	0.7
358.98773	0.3
373.52844	0.3
375.12582	50.2
376.13031	0.4
419.16730	0.8
453.13419	0.4
463.15756	0.5
481.16849	17.0
482.17078	0.5
537.17865	5.0
613.16895	1.0
643.22058	33.6
644.22412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2204
Annotation	(3R)-7,2',5'-Trihydroxy-3',4'-dimethoxyisoflavan 2',5'-O-diglucoside
Peak:m/z	Relative Intensity
53.03936	1.6
62.96380	0.4
66.86891	0.4
69.03435	0.6
69.75729	2.5
70.06587	1.3
72.08152	0.5
79.05485	1.8
81.03432	0.6
85.02901	1.4
86.09693	1.2
91.07251	0.5
95.04963	1.7
97.02883	0.7
98.21432	0.7
104.49989	0.5
105.04516	1.0
107.04959	100.0
108.05310	1.1
109.25034	0.5
111.96125	0.4
116.77322	0.4
125.45063	0.4
126.70172	0.5
127.03928	8.5
129.03116	2.4
131.04779	0.5
131.76897	0.5
137.05951	1.0
167.06821	2.6
185.04231	5.1
195.06319	6.2
203.05263	5.8
213.07349	20.9
265.77527	0.4
287.18805	0.5
347.09448	0.5
354.26874	0.5
357.11862	1.0
375.12674	20.3
419.16769	7.1
430.65170	0.5
435.16443	4.0
463.15817	8.9
464.15909	0.6
481.16840	34.1
482.17242	1.0
537.18176	3.0
643.22058	30.8
644.22101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.5
69.03432	2.4
69.07074	2.9
71.48647	2.9
71.48988	2.3
77.00887	3.3
79.05476	4.0
81.07046	8.9
91.05476	6.1
93.07038	5.8
93.62502	1.9
94.04188	3.5
95.08593	3.0
103.05453	7.9
105.07013	14.3
107.04934	7.4
109.06499	4.4
115.05480	2.0
118.04176	3.2
122.03641	6.5
128.06274	2.7
131.04916	11.4
133.06502	5.8
133.10213	2.4
134.03658	2.6
137.05977	54.1
145.06448	4.1
146.03586	9.6
147.04408	3.0
149.05972	3.3
153.06966	4.7
157.06505	4.3
161.05972	56.3
163.07571	7.3
165.07018	3.4
167.08582	2.7
169.06494	3.7
171.07950	2.5
176.69423	1.9
181.06500	16.5
182.07243	5.4
183.08163	3.0
185.06625	10.8
187.07486	3.1
195.08066	5.4
196.05264	3.4
197.05997	7.7
198.06827	11.2
199.07614	7.4
203.07753	2.4
207.08086	3.1
210.06734	11.0
211.07619	14.5
212.08318	7.4
213.09128	3.9
223.07675	2.1
225.05634	10.9
225.09216	6.9
225.13382	10.3
226.06169	4.0
227.07047	6.0
227.11050	2.6
233.06082	2.6
235.07689	2.9
239.07051	5.0
240.07829	7.9
241.08592	50.6
241.12546	2.2
242.09331	23.6
243.14436	31.8
253.08624	7.9
255.10170	18.1
261.15524	2.9
264.07877	2.8
269.09567	2.9
270.10300	2.3
277.08658	7.4
281.09595	5.2
281.12357	5.6
287.10904	2.1
297.09195	2.7
298.09915	7.6
299.10648	5.1
309.08929	5.1
310.10007	3.5
311.07367	2.4
311.10684	4.7
313.12131	4.9
315.10074	2.9
323.10565	3.0
325.08685	3.9
326.09274	9.5
327.10184	9.1
329.11810	3.5
333.18991	15.8
337.08810	2.7
339.10330	2.7
340.11087	2.6
341.11826	11.8
342.12561	3.6
343.09747	6.4
351.20163	71.2
354.08945	6.1
355.09702	5.6
357.11282	3.0
358.12067	6.9
359.13095	2.7
369.11179	24.9
370.11993	9.2
371.13083	5.1
373.14368	6.3
374.21860	5.4
377.13867	19.6
383.12979	2.4
386.11581	5.0
387.12183	12.3
389.13058	1.9
401.13855	100.0
402.14505	26.5
481.16473	16.6
482.17313	42.4
482.23947	3.8
504.15384	3.1
519.18042	37.1
547.15790	3.2
565.16534	4.2
580.18835	7.6
583.21649	2.7
611.10645	4.8
611.20593	75.5
612.21155	15.1
615.23700	4.0
643.23193	79.4
643.39325	12.4
644.23254	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38419	0.8
66.44051	0.9
67.05496	2.1
69.07074	1.3
69.46921	5.3
78.05249	0.8
79.05491	1.0
81.07053	2.7
83.08627	0.9
91.05512	2.0
93.07048	1.3
95.08598	1.8
97.61529	0.9
98.20818	0.9
105.07036	0.9
107.08639	1.0
109.06582	1.3
109.10144	1.0
117.07043	1.0
119.08581	1.0
133.10130	1.3
185.99023	0.8
213.27905	0.8
396.12457	1.1
397.12994	1.8
409.13086	1.2
410.13940	2.4
411.14542	7.1
412.15234	3.7
413.16312	3.9
423.14804	1.4
424.11102	1.5
424.15875	1.9
425.16159	13.4
426.16925	9.9
427.17966	1.6
428.18979	1.4
437.16318	1.7
438.12473	4.8
439.13614	14.6
440.18954	4.5
441.19321	31.2
442.19626	2.4
452.14572	5.6
453.15335	17.3
454.15942	6.4
463.14197	1.1
465.15765	1.3
467.17090	23.0
468.17816	13.1
469.18765	14.1
471.17148	1.2
481.14734	14.6
482.15912	3.4
495.16098	5.4
496.17075	24.7
497.17841	3.3
498.17981	1.2
509.18344	2.1
510.19177	1.1
512.20868	1.6
514.22491	1.9
523.20032	2.0
527.22931	2.5
537.18414	1.2
555.22449	31.8
556.22455	2.5
568.19489	1.4
583.21918	100.0
584.22174	7.3
587.24915	1.5
611.21277	2.0
615.24664	11.6
643.23907	75.7
644.24042	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.9
53.03943	8.2
55.01866	6.1
55.05514	22.0
57.03436	7.5
57.07061	4.3
65.03931	4.5
67.05505	53.8
69.03429	3.6
69.06731	2.1
69.07067	25.6
70.04475	6.7
71.04996	3.8
77.03944	1.6
79.05494	49.9
81.03410	2.9
81.07057	100.0
83.04971	5.2
83.08621	14.4
85.06533	5.5
91.05482	68.0
93.07043	53.3
95.04969	13.4
95.08607	44.8
97.06544	9.5
97.07066	1.7
97.10185	4.7
99.08086	5.9
101.05913	1.9
103.05470	2.5
105.04458	1.8
105.07034	63.0
107.04956	8.7
107.08593	31.4
109.06525	14.8
109.10167	13.2
111.08070	5.7
115.05403	2.1
117.07014	18.6
119.08579	57.6
121.06473	4.6
121.09325	3.0
121.10148	29.2
123.08070	9.1
123.11692	7.1
125.09597	4.6
128.06201	1.7
129.05460	1.6
129.06985	11.2
130.07748	2.4
131.08565	26.0
133.10136	43.3
135.08029	5.2
135.11699	19.1
137.09586	4.3
139.11180	2.2
141.06940	2.1
143.08592	10.1
145.10110	25.6
147.08015	2.3
147.11697	49.9
149.09621	10.1
149.13266	13.5
151.11153	4.6
155.08505	2.6
157.10144	12.0
159.11703	21.6
161.05946	1.6
161.09599	3.1
161.13261	27.9
163.07538	2.0
163.11186	6.4
163.14804	5.4
165.12767	8.8
169.10138	3.9
171.11659	10.6
173.13277	14.4
175.11151	4.9
175.14781	10.5
177.12772	2.8
179.14252	3.9
183.11670	3.5
185.13298	10.4
187.14856	4.2
189.09039	2.1
189.11098	1.9
189.12720	2.6
191.14252	2.6
193.12224	3.2
195.11746	1.9
195.13759	3.2
197.13264	3.3
199.14786	5.0
201.16411	2.1
203.14349	2.0
203.17998	2.2
213.16377	2.5
217.15956	2.4
231.21069	5.7
233.15285	1.7
237.16438	1.9
241.19533	28.2
247.20572	4.4
257.18976	9.2
259.20584	47.8
273.18454	2.7
275.20087	38.6
277.21539	5.9
291.19476	3.8
293.21106	9.6
315.23151	4.1
333.24237	49.1
335.25870	2.8
349.23773	7.2
351.25479	4.4
365.23273	2.2
367.24872	26.9
533.40100	2.3
545.38239	3.1
551.40955	3.7
607.43433	5.9
625.44775	14.5
643.44543	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03938	4.7
53.04163	1.1
55.01879	11.6
55.05280	1.3
55.05515	17.8
57.03441	27.8
57.07074	2.8
65.03950	6.3
66.46276	1.1
67.05509	74.5
69.03417	3.5
69.07072	13.9
69.41407	7.7
69.47277	1.2
71.04980	3.9
71.08633	1.5
71.28735	1.1
79.05498	49.3
81.03409	3.9
81.07059	58.1
83.04964	5.4
83.08615	7.1
85.06541	15.7
91.05486	37.6
93.07048	42.7
93.07645	2.6
95.04975	53.2
95.08610	29.5
97.06529	4.6
97.10136	2.7
99.08091	2.8
105.04517	1.3
105.07040	28.2
107.04960	10.6
107.08601	26.7
109.06522	68.0
109.10176	9.6
111.04459	1.5
111.08062	4.0
113.06011	37.1
115.05467	2.4
116.06219	1.4
117.07038	17.4
117.15306	1.4
119.08581	16.3
121.06516	8.0
121.10154	12.3
123.08042	5.4
123.11683	1.6
125.09628	2.1
128.06177	3.1
129.07014	8.8
130.07774	2.4
131.08572	18.8
133.06488	3.0
133.10147	10.4
133.85861	1.1
135.08066	53.4
135.11691	11.8
137.05948	1.3
137.09592	2.9
141.06976	2.6
142.07678	1.3
143.08575	10.0
145.10118	13.8
145.54498	1.0
147.08052	6.0
147.11678	5.7
149.09677	5.5
149.13248	4.3
155.08638	1.3
157.10149	6.6
159.08037	3.6
159.11671	7.7
161.09653	9.3
161.13263	2.4
163.11211	3.9
164.18024	1.1
165.09050	1.5
169.10098	2.6
171.11723	6.3
173.13272	4.8
175.11198	3.0
177.12706	2.5
179.14456	1.3
181.26514	1.1
183.11696	3.8
187.11157	1.4
187.14844	1.1
189.16313	1.6
194.52136	1.1
195.13782	2.6
199.14847	4.1
201.12740	1.6
217.15880	16.4
233.15311	2.1
245.19048	1.5
255.17439	3.3
259.20602	1.3
261.22131	2.2
273.18488	36.6
273.32568	1.2
291.19556	100.0
292.19937	1.9
309.20737	2.2
335.25809	38.3
337.88324	1.2
347.22336	5.7
365.23322	9.7
391.26471	1.3
427.17334	1.1
567.40863	1.7
607.43500	3.7
625.44647	20.2
643.45154	2.1
650.01453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03946	10.4
55.01870	14.5
55.05513	49.2
57.03426	7.1
57.07073	2.6
59.05006	1.8
64.52030	1.8
65.03927	6.2
67.05505	76.4
69.03419	4.2
69.07072	24.8
69.72262	9.4
70.97511	1.7
71.04977	4.4
71.08617	2.8
77.03876	2.2
79.05495	86.4
81.03403	6.8
81.07057	100.0
82.07382	2.2
83.04991	14.8
83.08621	26.8
85.02893	4.6
85.06529	2.8
91.05485	54.5
91.17518	1.5
93.07044	76.8
95.04973	17.2
95.08612	40.9
97.06515	6.7
97.10178	42.6
97.90411	1.7
99.04445	2.1
99.08051	1.8
103.05458	3.6
105.04532	2.4
105.06400	2.8
105.07033	33.2
107.04929	10.7
107.08595	43.8
109.06532	10.3
109.10160	25.5
111.04443	14.3
111.08100	8.8
115.05447	3.1
117.07018	17.6
119.07802	3.1
119.08578	32.6
121.06507	10.5
121.10145	28.4
123.08064	16.8
123.11692	4.8
125.09631	43.0
129.06979	7.3
131.08545	19.6
133.06525	2.0
133.10138	13.7
135.08076	9.9
135.11685	17.1
137.09616	3.0
138.78838	1.6
143.08562	6.9
143.10590	1.6
145.10118	20.2
147.08043	10.5
147.11699	10.4
149.09607	7.4
149.13289	3.2
151.11186	2.2
153.09100	6.0
153.12743	4.6
157.10129	6.7
159.08020	2.6
159.11707	8.6
159.12956	1.7
161.09610	7.4
161.13235	6.9
163.11182	12.6
163.14856	1.9
165.09129	3.9
169.10107	2.0
171.10138	5.5
171.11586	3.2
173.09644	3.6
173.11746	1.6
173.13297	3.4
175.09811	1.8
175.11223	4.5
175.14839	1.9
177.12762	2.0
179.14229	3.6
180.96202	1.6
181.12224	7.4
183.11636	1.6
185.13254	4.7
187.14743	2.8
188.49576	2.0
189.11226	65.8
189.12654	2.3
191.10706	5.8
223.13316	3.6
227.12758	22.2
227.17880	4.2
241.19650	1.7
245.19035	4.6
255.17459	6.1
259.20694	2.0
261.22073	3.1
263.20209	2.1
273.18512	33.4
275.20068	3.7
277.21579	3.4
291.19547	48.8
309.20282	2.9
335.25873	8.1
347.22171	26.1
349.23871	1.8
365.23322	9.5
377.33862	1.8
472.92114	1.7
545.38647	1.8
564.24146	2.0
625.44580	6.7
643.25256	2.7
643.45892	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	643.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22676	1.7
50.95075	1.5
53.03942	5.1
55.05510	20.3
55.68134	1.7
57.07079	3.7
65.03947	3.6
67.05508	38.9
69.03424	2.4
69.07072	28.1
71.14071	3.7
73.43074	1.6
79.05497	30.5
81.07056	100.0
83.04999	2.1
83.08617	10.0
85.06525	4.2
91.05475	29.7
93.07042	60.2
95.04971	7.3
95.08608	79.1
96.08902	2.4
97.06528	3.5
97.10165	7.7
103.05476	1.8
105.04527	2.0
105.07029	49.1
105.07698	3.2
107.08594	67.0
109.06525	3.9
109.10158	58.5
111.08095	2.2
111.11717	2.6
117.07013	8.7
118.49110	1.6
119.08583	47.7
121.10151	44.9
123.08060	3.6
123.11704	20.5
125.09644	6.9
129.06985	4.4
131.08556	17.8
133.10132	35.7
135.08087	1.9
135.11699	32.0
137.09663	3.6
137.13278	6.7
142.07768	3.7
143.08578	9.6
144.09351	3.8
145.10123	30.3
147.11697	31.7
149.09676	2.1
149.13257	24.6
151.11232	2.8
151.14850	2.2
155.08566	3.2
157.10124	13.8
159.11682	26.3
161.13255	22.9
163.11099	2.7
163.14833	13.2
165.12709	2.2
165.16702	1.9
169.10146	4.3
171.11682	13.5
172.12503	2.8
172.53412	1.7
173.13268	18.2
175.14815	18.6
177.16373	8.1
183.11726	6.1
185.13208	9.1
187.14818	17.8
189.16351	10.0
191.17995	3.2
195.11649	1.8
197.13263	5.9
199.14844	8.1
201.14734	2.6
201.16360	14.2
203.14267	1.8
203.17972	9.3
205.15909	2.6
209.13187	2.2
211.14864	4.7
213.16501	7.8
215.17976	8.3
217.19489	4.6
223.14854	2.0
225.16312	2.9
227.17935	6.2
229.19554	5.5
231.17482	2.0
231.21214	2.6
237.16444	2.1
241.19524	3.6
243.21201	3.6
253.19516	2.3
255.21234	3.3
257.22623	2.4
269.22574	3.7
271.24338	3.1
281.22675	3.0
283.24002	2.4
309.25574	1.9
367.29764	2.1
374.01492	1.7
404.57947	1.9
496.24652	1.8
607.51422	3.8
625.53412	18.3
643.54541	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	643.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.7
53.03940	5.0
55.05513	15.5
57.07059	4.1
59.26012	1.6
61.10460	1.7
65.03932	2.6
67.05506	39.9
68.34483	1.8
69.03433	3.6
69.07068	26.9
69.36266	13.5
71.05013	2.3
71.08623	2.3
79.05493	28.7
81.07056	100.0
83.04976	3.0
83.08623	12.2
85.06538	3.1
90.92995	1.5
91.05473	29.5
91.41080	1.4
93.07046	56.1
94.91379	1.6
95.04960	5.3
95.08604	75.6
97.06532	3.6
97.10162	7.1
98.20741	2.0
99.08099	1.7
103.05446	2.4
105.04506	2.0
105.06312	2.6
105.07033	57.0
107.08594	64.5
109.06498	6.2
109.10158	55.4
111.08115	2.2
111.11710	3.8
117.07034	9.7
119.08582	47.5
121.06516	1.8
121.10143	43.4
123.08096	3.4
123.11715	25.2
125.09618	4.9
129.06964	3.2
131.08540	17.0
133.10130	35.3
134.10454	1.7
135.10696	3.0
135.11685	33.5
137.09621	3.3
137.13254	8.1
139.11186	2.4
142.07732	4.1
143.08524	8.7
144.09305	2.4
145.10120	27.4
147.11688	29.9
149.09589	13.0
149.13274	23.7
151.11148	6.8
151.14832	2.9
155.08540	2.6
156.09329	2.9
157.10130	12.6
159.11703	29.0
161.13245	23.0
163.11124	2.5
163.14825	11.9
165.12709	2.7
169.10132	4.2
171.11681	13.0
173.13286	17.8
175.14824	14.5
177.16371	7.5
183.11682	5.6
185.13187	10.5
187.14832	16.7
189.16412	9.5
191.17889	4.9
195.11635	2.0
197.13249	5.6
199.14822	7.0
201.16389	10.1
203.17986	9.2
211.14781	4.4
213.16293	8.5
215.17975	5.6
217.16000	3.0
217.19548	4.9
223.14790	2.1
225.16364	3.2
227.17973	4.5
229.19495	4.2
231.21124	2.4
232.33371	1.7
239.17838	2.1
241.19539	3.1
243.21034	4.0
253.19513	2.7
255.21016	2.7
257.22562	3.1
267.21100	2.6
269.22635	3.3
271.24036	2.5
281.22583	3.4
283.23993	2.3
285.25885	1.9
292.38947	1.7
297.25769	2.3
325.29086	1.8
361.96820	1.8
395.02496	2.0
557.78241	1.8
607.51740	3.3
625.44891	2.1
625.53540	22.3
643.54443	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	643.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.1
53.03940	5.2
54.58775	1.6
55.05511	19.1
57.07077	4.6
60.45938	1.6
61.15771	1.6
65.03901	2.6
67.05183	3.0
67.05509	39.4
69.03416	2.6
69.07074	29.6
69.29515	15.7
69.85513	2.2
71.04996	4.2
71.08622	2.3
77.03915	2.3
79.05498	34.0
81.07059	100.0
83.04975	1.9
83.08617	11.0
85.06546	5.4
91.05481	27.9
91.10787	1.6
93.07047	65.3
95.04965	4.7
95.08612	84.6
97.06543	5.6
97.10185	7.2
99.08107	3.0
102.01708	1.5
105.07038	53.1
107.08602	70.4
109.06541	4.3
109.10168	45.5
111.08068	4.0
111.11730	5.6
112.07629	2.6
115.05416	2.1
117.07002	7.3
119.08588	53.0
121.06452	1.8
121.10145	51.2
123.08067	3.6
123.11706	25.5
125.09634	9.9
129.07028	4.0
131.08594	19.9
132.14067	1.6
133.10149	31.2
135.08102	2.7
135.11697	33.4
137.09631	3.6
137.13240	6.9
140.07066	2.5
142.07791	4.2
143.08560	11.3
143.97310	1.6
145.10126	32.7
147.11685	28.8
149.13255	23.7
151.11128	4.1
151.14812	2.1
153.12756	2.0
155.08557	4.2
156.09361	3.0
157.10129	13.2
159.11705	31.9
161.13280	18.9
163.14815	15.8
167.12471	2.1
167.14198	1.7
169.10149	7.2
171.11691	15.4
173.13274	22.7
175.14836	13.8
177.12749	2.2
177.16397	7.7
179.14346	2.5
183.11685	6.8
185.11806	1.7
185.13264	10.8
187.14812	14.3
189.16399	12.2
191.18011	3.1
195.11646	2.6
197.13220	4.5
199.14832	9.2
201.16360	12.3
203.17947	9.8
211.14772	4.6
213.16370	10.9
215.17931	8.5
217.15817	2.4
217.19513	5.2
225.16408	5.5
227.17937	8.5
229.19521	5.1
231.21089	3.9
233.19035	2.4
241.19499	4.9
243.21098	3.5
244.98433	1.8
245.22272	1.7
253.19479	2.1
255.21031	3.6
257.22638	3.1
267.21143	1.9
269.22632	3.9
271.24261	3.4
273.22266	1.8
281.22638	3.5
283.24271	2.4
295.24136	2.7
298.05902	1.9
337.29013	2.3
355.30276	2.4
504.81375	2.0
607.52563	3.2
625.53381	19.4
643.45148	3.5
643.54602	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40233	1.0
55.05502	4.1
57.03425	4.4
57.06804	2.0
57.07077	35.3
60.51521	1.0
61.02927	12.0
67.05511	9.1
69.03423	1.9
69.07064	11.8
70.06593	1.0
70.44091	3.4
71.08247	1.4
71.08633	27.5
72.50257	1.1
73.02924	6.0
75.04484	2.7
77.92568	1.1
81.03406	1.1
81.07056	12.9
83.08612	4.7
85.02906	15.4
85.10181	15.6
89.06026	1.1
91.03956	13.4
91.05460	1.9
93.07014	1.3
95.08607	23.2
97.02897	8.1
97.10151	4.4
105.07026	2.0
107.04948	2.4
107.08617	1.3
109.02874	1.0
109.10158	11.9
111.11724	3.1
119.08513	1.5
121.10192	1.2
123.11698	5.6
127.03893	3.5
129.07004	1.1
133.02692	1.0
137.05980	2.2
137.13242	1.9
138.06299	1.0
145.04955	6.7
151.14951	1.3
163.06050	10.2
163.07304	2.1
193.19507	1.2
197.05960	1.2
211.20569	22.8
229.21622	4.3
233.08504	1.0
241.08755	1.1
242.56218	1.2
255.10049	3.0
256.10489	1.5
285.24249	100.0
286.24673	1.6
303.25284	30.4
324.88571	1.5
325.86264	1.2
402.14108	2.2
447.30090	2.9
455.43646	1.0
612.20801	1.5
644.22729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01849	0.8
55.05502	0.8
57.03415	1.2
61.53725	0.6
66.96301	0.8
67.05490	1.1
69.03423	1.7
69.07045	1.0
70.06596	3.7
71.04984	0.7
71.48176	1.2
72.73476	0.6
79.05485	2.8
81.03428	1.5
81.07067	1.6
85.02910	4.3
86.09714	2.0
91.05491	1.7
93.07044	1.3
93.50462	0.6
94.06584	1.2
95.04964	2.0
95.08611	1.0
97.02888	1.6
103.05466	0.9
105.07035	1.8
107.04961	100.0
107.08601	1.5
107.22582	0.8
108.05286	2.8
109.02911	1.0
110.97669	0.9
119.04939	1.1
121.06514	1.0
122.02379	4.1
125.06017	0.8
127.03940	1.6
131.04951	1.8
133.06503	1.2
137.05997	1.8
145.06516	0.9
147.04430	1.6
147.09196	0.9
148.07625	1.2
149.05968	0.8
154.05060	1.4
157.10214	0.8
159.08047	1.3
164.07074	1.2
167.07074	4.4
168.07460	0.8
173.09601	1.1
175.08723	1.3
176.07071	0.7
181.04991	1.1
181.06400	1.7
182.04431	4.3
182.09705	0.8
187.11165	1.0
189.10291	0.9
191.07118	0.7
195.08116	0.9
196.06062	3.0
198.06770	1.1
200.07111	0.8
213.09113	3.1
214.08681	1.1
215.08232	3.7
216.06650	1.2
222.44627	0.7
224.77704	0.7
227.07016	1.0
229.09760	2.9
235.47430	0.9
239.08188	1.1
241.08577	13.6
242.08109	1.2
242.09386	1.0
243.07690	4.7
254.08067	1.8
256.09729	1.6
257.09213	4.0
259.10797	6.4
261.09091	0.8
262.07147	0.8
266.08090	1.7
267.07449	1.1
271.10764	1.3
275.10376	1.2
281.09155	0.9
282.07495	0.8
284.09174	14.5
285.08783	10.4
289.12112	0.9
296.91101	0.8
299.10297	2.4
301.11914	2.6
303.09723	4.0
317.11182	1.9
327.09818	5.5
335.12396	1.8
345.10828	39.1
346.10992	1.2
361.07184	0.9
377.13458	47.8
451.15817	1.1
481.17068	0.9
483.18066	9.3
645.23871	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03423	1.0
69.03425	1.6
69.29525	3.5
70.06569	0.4
71.05013	0.6
73.02879	0.5
79.05466	0.4
79.91833	0.4
81.03413	0.8
81.07070	0.7
85.02907	5.4
95.08649	0.6
95.56931	0.4
97.02869	0.9
107.04945	1.8
109.02871	0.8
115.05441	0.6
119.08567	0.6
121.10145	0.5
127.03928	0.9
128.06276	0.5
129.07014	0.6
131.08557	0.5
133.10077	0.5
135.11577	0.4
141.07016	2.4
142.07790	0.6
145.06485	0.9
152.06229	3.0
153.06982	7.2
154.07697	0.5
155.08554	3.1
157.06453	0.7
157.10101	0.6
165.07013	7.5
167.08659	0.9
168.05716	0.6
169.06487	4.0
170.07271	6.3
171.08006	1.7
180.05667	1.8
181.06497	13.7
182.07277	6.3
182.53911	0.5
183.08060	10.5
184.05298	0.7
185.09619	5.9
195.08022	5.5
196.08774	0.7
197.05971	5.1
198.06750	10.5
199.07550	3.7
209.05977	1.0
211.07520	2.7
212.04764	0.5
212.08261	1.5
213.09111	82.8
214.09454	1.2
223.08672	1.0
225.05455	2.0
225.09122	0.7
227.07043	11.3
229.08627	2.6
241.08598	100.0
242.09375	38.7
243.06537	1.8
243.09784	1.2
257.08118	7.8
258.08881	2.5
305.48526	0.4
377.01483	0.4
482.16937	0.6
483.17871	3.7
645.23340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	1.0
55.05513	0.5
56.60938	0.4
57.03432	0.9
59.97707	0.4
61.02938	0.5
67.05510	0.7
68.87552	0.3
69.03438	3.6
69.07081	0.5
69.09263	0.4
70.06590	0.9
70.68157	0.5
70.68506	0.9
71.04997	0.7
73.02943	0.6
79.05486	0.5
81.03437	1.9
81.07053	1.1
81.78851	0.4
85.02911	6.1
87.04449	0.4
91.05477	1.3
93.07043	1.1
94.06551	0.6
95.04945	0.7
95.08612	1.0
97.02903	2.2
99.04417	0.9
105.07002	0.9
107.04959	4.7
107.08591	0.7
109.02884	1.6
119.08582	0.9
120.08093	0.6
121.06504	0.7
121.10164	0.6
122.06052	0.5
123.04432	0.5
123.08080	0.5
127.03944	2.4
128.06235	0.6
131.04922	1.2
133.10132	0.9
137.05991	0.7
141.07031	2.1
145.06499	0.4
145.10101	0.6
152.06174	2.1
153.07005	6.4
154.07826	0.4
155.04990	0.5
155.08536	2.6
157.06499	1.2
157.10126	0.9
159.11684	0.6
163.07498	0.4
165.07018	6.2
167.06966	0.6
167.08495	0.5
168.05652	0.6
169.06512	2.8
170.07289	5.6
171.08035	1.3
173.06004	0.5
173.09547	0.6
180.05696	1.3
181.06479	11.6
182.07268	5.8
183.08055	8.3
184.05243	0.6
185.09615	5.3
187.07504	0.7
195.08110	4.1
196.08823	0.5
197.05966	4.4
197.09583	0.8
198.06770	7.1
199.07564	2.8
201.65805	0.4
209.05956	0.8
211.07559	2.4
212.08319	0.7
213.09113	69.0
214.06197	0.5
214.09378	1.1
215.10591	0.6
223.08644	1.5
225.05457	1.7
225.09041	0.6
227.07025	6.7
227.10521	0.8
229.08644	2.9
239.07135	0.8
241.08598	100.0
242.09361	27.5
243.06528	1.6
243.09930	1.7
253.08504	3.8
255.10022	0.7
257.08075	7.4
258.08951	2.0
265.08688	0.6
269.08047	0.4
279.10236	0.5
281.12683	0.5
283.09808	0.6
285.12115	0.4
309.12317	0.8
327.13498	1.5
404.13916	0.5
448.18579	0.6
450.13989	0.9
451.15100	0.7
465.16055	0.8
474.16687	0.8
480.21381	0.6
482.17307	1.9
483.17767	12.2
484.18005	0.5
492.16910	1.8
493.16373	0.7
504.17892	0.5
505.18149	1.2
613.24780	0.5
645.22351	1.2
645.32343	0.5
673.06232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.5
55.01871	3.8
55.05514	11.0
57.03437	21.4
61.02930	85.7
62.53196	1.3
65.03931	2.1
67.05506	39.8
69.03429	34.8
69.07083	9.1
69.81150	4.8
69.81554	3.3
70.06583	1.6
71.01347	5.2
71.04986	4.7
73.02919	32.2
75.04497	1.6
78.86499	1.4
79.05494	30.5
81.03426	27.3
81.07056	47.5
83.01365	1.9
83.04973	6.2
83.08626	2.4
85.02910	100.0
85.06508	2.0
87.04475	4.5
91.03960	58.6
91.05483	25.1
93.06481	2.7
93.07047	35.2
95.04961	5.4
95.08614	31.6
97.02897	85.3
97.06531	2.4
97.10163	2.2
99.04459	11.7
101.02383	8.1
103.03937	9.0
103.05436	2.6
105.07034	21.1
107.04969	3.8
107.08593	26.9
109.02866	14.1
109.06509	3.1
109.10160	15.7
111.04458	4.1
111.08105	1.7
113.09669	1.6
115.03925	6.9
115.05502	1.4
117.05514	2.4
117.07011	7.4
119.08584	14.1
121.06512	3.0
121.10160	16.5
123.11713	6.1
125.09629	2.0
127.03922	34.6
129.05511	5.5
129.06987	3.3
130.07843	1.5
131.08562	9.5
133.10143	11.7
135.08023	2.0
135.11688	11.0
137.05972	5.4
142.07808	1.7
143.08586	3.0
145.04967	22.1
145.10123	10.8
147.11705	6.6
149.13246	7.3
151.03911	2.5
155.08553	2.0
157.10135	2.2
159.06595	4.0
159.11716	8.0
161.13240	3.8
163.06039	4.5
163.07428	1.4
163.14717	2.1
169.10095	2.0
171.06544	2.2
171.11696	2.8
173.13278	7.2
175.11232	1.7
175.14856	2.2
179.38023	1.4
179.69659	1.2
183.06543	9.6
183.11783	1.8
185.13301	2.4
201.07610	5.5
213.09177	1.8
229.19583	6.3
237.09187	3.6
238.09613	3.0
239.07062	7.0
240.07811	15.4
241.08524	2.9
245.19034	2.7
247.20618	16.4
253.08752	2.0
255.10176	19.4
265.08746	1.4
283.28052	1.4
289.21756	3.3
301.21466	1.9
303.23120	1.5
313.21652	1.7
321.24246	76.8
323.71591	1.4
344.63120	1.5
349.23718	2.4
355.22617	3.3
363.25516	1.7
389.13754	3.3
390.14185	3.7
429.26086	4.0
447.27274	1.6
465.28305	6.6
483.29813	2.0
502.33038	1.4
645.34253	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67830	0.3
54.06381	0.3
55.05512	0.6
67.05501	1.1
69.03403	0.5
69.78917	1.8
79.05482	1.0
81.07048	1.2
91.05482	1.0
93.07031	1.0
95.08595	1.2
97.02867	0.4
97.06522	0.4
105.07047	1.7
107.04916	0.6
107.08579	0.8
111.11803	0.4
113.17057	0.4
119.08578	1.0
121.10144	1.2
123.04443	0.5
129.07031	0.5
131.08598	0.8
133.10155	0.7
135.11734	0.3
135.56509	0.4
145.10139	0.8
145.87259	0.4
147.11662	0.5
155.08517	0.4
169.10175	0.5
171.11688	0.4
185.04289	0.5
221.09668	0.6
243.08488	0.9
259.07831	0.4
288.13181	0.4
362.46368	0.4
378.36838	0.4
429.26196	1.7
475.11078	0.4
485.28564	1.6
573.35260	0.4
611.37604	0.6
619.35071	0.5
629.37994	0.9
647.33972	100.0
648.34210	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	648.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
67.05491	0.9
69.03423	1.3
70.06593	2.3
70.77979	0.9
71.48328	1.3
79.05481	2.3
79.44077	0.8
81.03416	6.0
81.07057	2.1
89.75179	1.0
91.05499	1.1
93.07030	2.0
95.04948	1.6
95.08601	1.5
97.02911	2.8
103.05471	20.6
105.04526	1.2
107.04951	18.8
107.08606	1.9
109.02886	16.8
117.07052	0.9
127.03922	4.0
131.04933	100.0
135.08029	0.9
139.03876	1.6
149.05923	1.7
167.10681	1.1
169.05035	2.6
275.08984	1.3
295.40714	1.0
335.11282	18.4
438.72882	1.0
630.83429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03944	1.1
55.01872	0.3
55.05503	0.4
57.07068	0.2
57.67143	0.1
63.22688	0.2
67.05500	0.5
67.09333	0.1
69.03423	0.3
69.07072	0.4
69.93341	0.2
69.93692	0.8
70.06590	0.7
71.04952	0.2
72.08152	0.2
77.03929	0.4
79.05502	1.4
81.03426	0.4
81.07060	1.6
83.08621	0.5
83.61250	0.2
85.02915	1.3
85.06535	0.4
86.09698	0.4
91.05479	0.2
93.07025	0.3
95.04971	1.0
95.08621	0.4
97.02885	0.3
98.09623	0.2
105.04526	0.6
105.07033	0.8
107.04958	100.0
108.05311	0.5
108.53783	0.2
119.08612	0.4
120.08102	0.2
121.10164	0.8
123.11709	4.3
127.03931	0.3
129.81151	0.1
137.06039	0.2
137.13266	0.5
145.05017	0.4
145.08612	0.2
147.04410	0.2
147.11678	1.7
151.03683	0.6
163.06021	0.3
165.12779	2.1
183.13809	4.0
191.09132	0.2
201.14876	3.4
228.35603	0.2
233.07858	0.2
271.16895	0.3
289.18134	0.2
380.20215	0.8
408.71524	0.2
461.72870	0.2
468.45288	0.2
504.18433	0.2
648.29968	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	649.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76943	2.4
54.58764	2.3
59.82183	2.3
62.84822	2.3
71.31209	3.0
83.54943	2.6
98.97578	8.8
110.97623	3.2
116.19044	2.7
232.82977	2.8
245.04927	3.3
270.79187	2.7
307.08868	4.1
417.26752	2.8
427.16504	4.3
487.06219	5.8
589.21765	8.0
649.11530	100.0
650.11462	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	649.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.8
55.01871	4.7
55.05269	1.6
55.05513	16.4
57.03436	21.7
57.07085	6.8
61.02929	75.1
64.35271	1.0
67.05173	1.9
67.05511	19.3
68.33247	1.2
69.03432	29.9
69.07071	27.2
70.19669	2.3
70.20067	2.2
71.01355	3.3
71.04998	3.9
71.08640	3.0
73.02922	24.2
79.05493	10.4
81.03423	23.0
81.07059	24.2
82.63255	1.2
83.04988	3.3
83.08627	15.4
85.02908	88.5
85.06562	2.2
85.10183	2.6
85.12572	1.3
87.04458	2.9
91.03961	44.2
91.05499	1.9
93.07036	11.9
95.04969	1.9
95.08607	23.4
97.02892	67.8
97.06526	2.9
97.10164	9.1
98.21459	1.3
99.04455	12.9
101.02390	9.4
103.03960	12.1
105.07034	2.5
107.08592	9.8
109.02874	14.0
109.10152	9.6
111.04477	2.8
111.11739	4.5
115.03938	5.0
117.05480	2.9
119.08597	1.7
121.10156	16.0
123.04446	1.1
123.11715	4.1
125.09606	2.7
127.03917	35.2
129.05469	5.5
135.11694	10.1
137.06009	1.4
137.13232	3.7
139.11182	1.5
145.04953	18.4
149.13255	6.8
151.06268	1.1
151.14886	1.7
153.12715	1.3
157.10135	1.4
159.06618	2.7
163.06068	4.9
163.14796	2.7
171.06575	2.0
173.13254	1.1
177.16470	1.4
183.06534	11.9
201.07635	10.0
219.08693	2.4
233.22597	9.8
235.16591	1.3
239.73314	1.1
248.82088	1.2
249.22026	1.2
251.23686	22.3
269.24704	2.0
310.18283	1.3
325.27380	100.0
326.27786	2.8
341.24301	1.3
353.26865	5.5
359.25833	3.1
367.28403	4.3
395.27982	2.8
397.29358	1.3
409.29306	1.5
433.29266	3.8
436.44885	1.2
451.30438	2.7
469.31561	12.2
487.32898	3.0
597.49762	1.3
649.37378	3.7
659.35815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
53.75591	2.9
55.05515	25.7
57.03437	9.0
57.07059	4.7
57.46850	3.5
65.03941	6.3
67.05502	56.2
69.07067	19.7
69.14227	10.4
69.14645	26.4
71.60565	3.1
79.05494	40.5
81.03413	9.1
81.06661	3.8
81.07065	46.3
83.04992	5.4
83.08616	11.4
91.05491	31.4
93.07047	32.0
95.04967	8.2
95.08612	37.0
97.06516	8.7
97.10174	10.3
99.08109	4.7
105.07031	27.1
106.47168	3.1
107.04951	5.6
107.08597	17.0
109.10175	18.4
111.08118	4.5
117.07016	12.4
119.08590	22.6
121.10172	16.4
123.04436	5.6
123.08063	7.2
129.07008	10.6
131.08542	15.2
132.71152	3.3
133.10086	16.0
135.08041	4.3
135.11729	6.1
136.11722	3.5
137.05984	9.3
141.06941	7.6
143.08537	9.1
145.10100	14.9
147.11670	11.2
149.09464	4.0
149.13251	5.1
153.06921	4.3
155.08536	7.9
157.06480	10.2
157.10098	6.9
159.08096	3.8
159.11702	9.7
161.06064	5.4
165.07005	5.9
167.08530	8.0
169.10007	5.5
171.08047	15.1
171.11702	4.1
173.04695	4.2
173.05956	22.9
173.13232	4.6
175.07518	4.7
175.14775	3.4
177.12560	3.8
178.07857	3.7
179.08534	13.2
181.06422	7.5
181.10098	7.4
183.08051	11.3
183.11691	5.9
185.05949	6.0
185.13217	4.3
187.07552	38.4
189.13062	3.3
191.08688	4.0
193.06328	3.4
193.10072	12.9
195.08006	17.7
195.11650	9.1
197.05983	4.3
197.09627	9.5
197.13182	4.6
199.07565	9.7
201.09132	4.6
203.08633	6.4
205.10219	5.5
207.08009	18.0
207.11642	5.1
209.09633	10.7
209.13113	4.7
210.06792	6.7
211.07526	15.0
211.11052	3.8
213.09134	10.5
217.10184	8.4
218.79213	3.6
219.08090	11.4
219.11583	6.4
220.08853	5.4
221.09557	18.5
221.13094	3.7
222.10506	4.1
223.07535	12.2
223.11151	7.8
231.11707	3.8
233.09665	19.2
233.13229	5.9
234.10211	4.9
235.07501	5.6
235.11145	14.8
237.09175	10.6
237.12732	4.2
239.10640	4.6
243.11678	3.9
245.09502	11.8
247.11078	11.9
249.09200	5.1
249.12701	9.7
251.10645	4.7
251.14388	8.1
259.11163	10.8
259.20480	5.6
261.12686	7.4
263.10602	3.7
263.14319	7.7
265.12341	5.4
265.15753	3.7
273.12616	7.2
273.22076	7.9
274.13589	4.0
275.14276	4.7
275.20294	3.7
279.13931	5.6
281.15363	4.2
284.59335	3.6
289.12085	3.5
289.15753	7.9
291.17392	5.5
303.17328	8.0
305.15475	4.1
305.18958	6.3
307.16992	4.8
315.16083	4.3
321.18399	4.6
323.16302	7.1
333.18530	4.0
337.17932	6.5
345.18179	5.6
349.17969	5.2
351.19501	5.7
353.17459	8.4
365.21155	4.7
371.19238	4.3
371.23782	4.2
373.20651	5.5
375.19189	3.8
377.21112	5.0
391.22589	12.7
405.24393	4.4
431.26059	5.3
447.25079	4.6
471.29285	4.2
487.27866	5.6
511.35843	8.2
521.34290	6.7
539.35388	30.8
557.36322	47.1
558.76721	3.6
561.32440	6.2
575.37231	13.2
593.38110	3.8
595.38049	9.5
613.38916	36.9
631.39844	72.3
649.41022	100.0
650.40869	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	649.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.01878	4.5
55.05515	25.3
57.03438	6.0
57.07078	3.0
58.10584	2.3
65.03941	4.2
67.05511	66.4
68.71443	2.9
69.07076	19.8
71.04998	2.9
71.22552	5.2
79.05503	36.0
79.33923	2.2
80.05892	3.2
81.03436	5.2
81.07067	51.0
83.04961	2.9
83.08630	11.5
85.06562	3.5
91.05488	37.9
93.07045	41.2
95.04958	4.7
95.08614	41.3
97.06559	3.6
97.10183	6.3
97.84807	2.4
105.07039	29.0
107.08604	26.6
109.06532	3.6
109.10153	22.3
111.08076	2.9
115.05446	4.7
117.07027	15.1
119.08591	23.4
121.10146	16.7
123.04430	7.8
123.08047	4.8
123.11722	4.7
125.09627	4.8
128.06253	6.2
129.07027	11.2
131.08577	16.4
133.10143	19.2
135.08095	3.2
135.11700	9.8
137.06001	10.2
141.07033	8.0
143.08597	12.2
145.06517	7.9
145.10129	12.9
147.04411	2.5
147.08133	3.1
147.11671	15.6
147.82153	3.1
149.05981	6.0
149.13257	3.4
153.07025	7.7
155.08591	10.1
157.06500	13.7
157.10124	7.9
159.08092	4.5
159.11720	8.6
161.06003	9.1
161.13324	5.1
163.07494	2.5
165.07056	7.9
167.08603	8.7
169.06512	3.5
169.10083	6.8
171.08066	22.1
171.11685	4.7
173.05991	31.6
173.09802	2.7
175.07597	8.5
178.07861	6.7
179.08565	13.1
181.06479	12.6
181.10172	8.1
183.08075	12.9
183.11646	6.2
185.06012	7.0
185.09700	3.4
185.13303	5.8
187.07549	46.4
191.08638	7.0
193.06589	4.3
193.10182	11.3
193.36101	2.5
194.07310	4.8
195.08110	28.3
195.11765	5.1
197.06076	5.8
197.09686	13.6
198.06764	4.1
199.07591	9.8
199.14986	3.3
201.09100	5.6
201.26999	2.5
203.08630	4.6
204.09370	3.2
205.10214	11.3
207.08054	26.0
207.11632	5.3
208.08791	5.9
209.09630	11.2
210.06816	6.7
211.07574	22.5
213.09142	9.5
215.08675	3.2
217.10225	6.2
219.08107	15.4
219.11723	5.8
220.08864	5.0
221.09575	23.2
223.07567	13.3
223.11162	8.1
223.14835	4.8
224.08301	4.5
225.09119	12.3
227.10771	6.2
229.10214	6.3
231.08125	6.2
231.11783	5.2
232.08827	4.5
233.09645	17.4
233.13358	7.3
234.10411	5.8
235.07643	4.3
235.11269	10.9
235.14864	6.0
236.08414	4.7
237.09099	12.5
237.12784	3.1
239.10625	9.4
241.12247	5.0
243.11739	4.6
245.09691	11.8
245.13318	6.6
246.10420	4.5
247.07851	3.0
247.11227	13.5
248.12097	3.1
249.09109	6.1
249.12769	6.5
251.10712	8.5
251.14366	11.3
253.12447	4.0
257.09494	3.5
258.10547	3.6
259.11264	10.3
259.20660	9.7
260.11792	3.9
261.09280	2.6
261.12827	16.9
263.10849	4.5
263.14328	6.4
267.13821	5.1
273.12683	6.0
273.22229	6.4
274.13577	3.2
275.14255	6.3
277.16013	3.4
279.13937	5.2
281.21014	2.8
287.14282	4.5
289.15933	5.2
291.17538	3.4
295.16974	3.5
297.14902	3.4
305.15231	3.1
307.17014	5.6
315.15829	5.6
317.15497	3.3
317.18994	3.8
319.16977	4.1
321.18411	4.3
323.16614	6.2
329.18988	3.7
333.18811	5.5
333.24307	4.9
335.16425	6.6
335.20056	4.2
337.17984	8.4
345.18518	5.9
345.22253	4.2
347.19974	4.9
347.26108	3.0
349.18008	3.8
351.19693	8.2
353.17480	4.3
357.18427	3.9
359.19342	3.4
363.19455	6.9
371.19098	4.5
373.21304	8.8
379.18713	3.2
387.23093	6.4
391.22717	13.1
399.23004	3.6
401.24936	5.6
405.24252	5.4
431.25931	4.8
441.27634	2.8
445.27222	4.5
447.24927	3.9
457.26883	3.8
459.29492	3.0
461.26361	3.2
465.26450	3.8
469.27567	3.4
493.34659	3.4
501.29495	2.7
503.32648	3.1
505.29257	3.4
511.35641	10.5
521.34613	7.0
539.35321	36.0
557.36383	42.7
561.32092	6.6
575.37579	18.4
577.36639	4.9
579.33667	4.4
595.38208	9.1
613.38940	38.5
631.39880	90.4
649.40930	100.0
650.41449	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	650.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03705	0.4
53.03944	1.3
56.05018	0.4
57.07071	0.6
61.02917	0.4
66.85993	0.4
67.05499	0.6
69.03448	0.3
69.07064	0.9
70.02964	0.6
70.06593	2.0
70.06925	0.3
71.48201	0.7
72.04532	2.5
72.08134	1.0
73.02934	0.6
76.10558	0.4
77.69881	0.4
79.05492	1.2
84.04523	0.5
84.08128	1.5
85.02908	1.4
85.06545	1.0
86.09683	2.3
90.05558	18.9
95.04969	1.8
96.08110	0.4
97.02889	0.6
98.02435	2.8
100.04002	0.5
103.07592	0.9
105.04509	0.7
107.04960	100.0
108.01097	0.4
108.05273	0.8
110.07162	0.4
113.06045	0.4
116.03459	3.0
120.08136	0.8
124.07579	2.5
129.10268	0.6
136.07605	0.8
142.08670	1.1
145.04942	0.5
160.09756	0.6
166.08774	0.4
169.04890	0.8
174.11258	0.4
184.09692	4.5
186.02115	0.4
186.09137	0.4
202.10744	8.1
202.12492	0.5
220.11813	50.1
221.12225	0.5
313.32281	0.4
351.79056	0.4
382.17038	1.4
398.45230	0.4
545.55652	0.4
650.24786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05506	10.6
67.05505	7.3
69.03432	4.4
69.07057	14.7
71.04984	11.1
71.49101	4.6
79.05488	6.5
81.03403	3.8
81.07059	14.2
83.08605	6.7
85.02896	4.5
91.05499	15.0
93.07034	6.5
95.08619	16.3
97.02896	2.8
97.10143	2.6
105.07052	26.3
107.08594	19.6
109.10133	3.3
117.07052	6.1
119.08591	100.0
121.10179	5.2
133.10123	20.7
145.04930	2.7
145.10144	3.1
147.11746	3.2
173.13213	2.8
175.14839	77.7
185.86108	2.4
189.11063	3.0
215.09142	3.0
331.00024	2.3
335.25955	2.4
506.34863	3.2
582.58862	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50089	2.0
53.03938	7.7
55.01861	4.2
55.05509	26.1
57.03447	11.6
57.07076	3.0
59.04999	3.0
65.03931	4.7
67.05503	100.0
69.03424	27.0
69.07066	18.7
71.04990	6.8
79.05495	34.5
81.03419	45.6
81.07055	63.4
83.04984	24.1
83.08606	17.2
85.02895	6.7
85.06546	5.2
91.05479	31.4
93.07042	42.5
94.64532	1.9
95.04968	8.3
95.08604	36.5
97.02894	20.8
97.06552	2.4
97.10165	18.6
99.04434	5.9
99.08143	2.3
105.07030	22.6
107.04950	27.0
107.08592	21.9
108.05287	7.4
108.55199	1.9
109.02870	10.3
109.06531	4.7
109.10159	50.1
111.04440	10.4
111.08074	4.6
115.05501	2.2
117.07005	13.9
119.08585	20.9
121.06514	4.4
121.10143	15.7
123.08057	4.5
123.11679	10.1
125.09617	11.7
127.03909	9.9
129.05464	9.8
129.07004	5.3
131.08548	15.8
133.06526	4.2
133.10123	15.3
135.08037	5.0
135.11693	8.8
137.09621	6.4
137.13237	2.1
139.11159	2.0
141.06821	2.6
143.08562	8.7
145.06465	4.8
145.10124	13.6
147.11655	11.1
149.09641	3.7
149.13240	5.2
155.08591	3.7
155.10701	2.3
157.06499	2.6
157.10121	7.0
159.11693	9.8
161.13277	6.4
162.59952	2.5
163.11282	2.2
163.14816	3.7
165.12752	2.2
169.10115	4.2
171.11673	5.1
173.09650	3.3
173.11731	15.3
173.13306	9.3
175.11250	3.5
177.12762	3.2
181.10045	3.0
183.11720	2.6
185.13225	5.1
187.11229	2.7
189.11218	10.1
189.12811	2.2
197.13239	2.9
199.14853	2.2
227.12674	12.8
229.14285	21.8
245.13715	4.3
259.20627	3.9
261.22064	7.5
263.23676	3.9
277.21741	2.6
299.15002	2.3
301.21500	5.0
303.23303	3.4
315.23053	2.4
335.25867	13.2
337.27365	14.6
341.24878	3.8
345.24686	2.4
351.23087	3.7
369.24118	10.3
371.16962	5.8
371.25946	2.4
373.18475	5.3
387.25305	8.4
405.26193	3.1
443.27905	4.0
461.29062	4.4
479.29889	5.6
489.35748	5.8
559.36884	2.3
597.37646	8.0
615.38898	6.2
633.39966	17.3
651.40802	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01864	3.4
55.05514	28.0
57.03430	11.7
57.07066	4.9
60.60580	1.7
62.37059	1.5
65.03930	3.7
67.05506	100.0
69.03436	27.1
69.07073	15.2
69.62131	3.9
69.62533	9.7
71.04996	9.0
71.08622	3.6
71.70277	1.9
79.05495	35.6
81.03417	40.1
81.07053	53.4
83.04981	15.9
83.08613	15.2
85.02899	5.7
85.06535	2.9
88.02839	1.6
91.05477	31.9
93.07046	34.6
95.04987	10.8
95.08608	37.0
97.02871	11.9
97.06520	4.6
97.10178	11.0
99.04489	4.4
103.05468	2.1
105.04528	1.9
105.07029	36.8
107.04956	14.1
107.08601	25.6
107.50869	1.7
107.93026	2.1
109.02886	7.9
109.06521	5.1
109.10158	63.2
111.04450	7.5
111.08107	5.5
115.05486	5.0
117.07004	13.0
119.08578	22.9
121.06507	3.7
121.10138	16.8
123.04419	2.1
123.08074	4.0
123.11713	6.9
125.09647	8.9
127.03944	6.8
128.06267	3.2
129.05467	6.1
129.07042	5.5
131.04897	2.2
131.08574	20.4
133.06482	11.1
133.10144	13.2
135.08037	4.9
135.11722	10.6
137.09619	5.5
137.13206	3.3
139.11230	2.4
141.07025	3.9
142.07759	3.4
143.08582	10.0
145.06461	4.1
145.10109	12.8
147.08041	5.1
147.11684	7.2
149.06001	1.9
149.13277	5.8
151.11209	2.1
153.09111	2.0
155.08572	3.4
155.10655	4.8
157.10144	5.4
159.08026	3.6
159.11697	11.8
161.05971	17.3
161.09660	2.8
161.13281	7.0
162.06345	6.2
163.11174	2.2
165.12753	2.1
169.10091	2.1
171.11708	7.4
173.09616	2.9
173.11769	16.7
173.13268	7.1
175.11223	3.5
175.14832	2.5
177.47653	1.8
181.10161	2.4
183.11800	4.9
185.09569	2.8
185.13242	3.2
187.14851	4.1
189.11150	8.1
189.12825	2.4
193.08604	13.5
194.08986	6.2
197.13365	3.0
199.11137	1.9
199.14833	3.2
209.13361	2.4
213.12804	4.1
213.14626	1.7
227.12776	7.7
227.17577	1.9
229.14339	36.2
241.15797	1.7
245.13834	2.2
259.20560	3.6
261.22153	4.2
263.23474	2.2
264.15781	1.8
271.20407	2.1
277.21613	4.4
285.21982	2.2
299.14957	4.8
301.21631	6.9
317.24554	2.8
327.22916	2.9
335.25732	5.5
337.27405	5.8
341.24509	3.2
345.24188	3.2
351.23138	5.7
353.24615	2.7
369.24167	10.8
371.16998	3.4
373.18564	5.0
383.15704	2.0
387.25208	8.2
443.27939	5.2
457.50754	1.7
461.29169	5.8
477.27841	2.1
479.29950	2.7
489.35971	5.0
496.94720	1.8
559.36609	2.8
573.37787	3.4
597.37622	7.5
615.38733	6.0
633.40009	20.0
651.41779	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	652.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03947	1.7
55.01869	1.0
57.03452	0.4
59.01392	0.7
61.02950	0.4
65.03950	0.6
65.94369	0.3
69.03435	3.1
70.06574	0.3
70.20383	1.3
73.02911	0.8
75.04470	1.3
77.03937	0.4
78.04705	0.8
79.05496	0.7
81.03419	4.4
81.05822	0.3
81.07066	0.5
85.02914	3.9
87.00842	2.1
91.05482	3.3
92.05009	0.8
93.07027	0.5
94.04192	0.4
95.04947	0.6
97.02888	2.1
99.04454	1.0
104.05000	10.8
105.01862	0.7
105.05779	20.5
106.06560	4.5
107.04948	1.3
107.07347	1.3
108.04475	0.5
109.02879	2.7
109.06513	1.1
109.10136	0.4
116.04993	0.6
117.01891	0.6
117.05766	1.5
118.06557	4.7
119.02886	0.7
119.03698	10.2
119.07284	0.6
120.04467	11.0
120.79300	0.3
121.06503	2.3
123.06840	2.6
127.03916	4.0
128.18245	0.4
129.01802	0.5
130.02898	3.1
131.04944	0.5
132.04457	49.1
133.05241	36.2
134.02368	1.2
134.06030	12.5
135.06783	0.9
137.05887	0.4
144.04491	2.4
145.04942	0.9
147.02927	0.5
147.05536	1.0
148.03909	1.4
149.04727	46.2
151.06277	0.4
154.00514	0.5
159.02924	1.1
159.11768	0.3
162.05511	27.8
163.06291	100.0
164.07071	73.7
165.07358	1.0
166.00609	0.6
166.08638	1.3
166.14455	0.3
176.07040	0.5
179.05737	1.3
179.08147	2.1
188.07056	0.4
194.00015	1.4
194.08131	97.7
195.08432	0.9
202.04999	0.7
209.01158	0.5
231.04941	0.4
240.19144	0.3
267.03125	0.7
269.04666	0.8
282.40637	0.4
312.05203	1.8
327.05264	0.4
340.04764	1.0
372.07516	2.7
373.08252	0.6
404.10123	14.1
487.68475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03947	1.7
55.01869	1.0
57.03452	0.4
59.01392	0.7
61.02950	0.4
65.03950	0.6
65.94369	0.3
69.03435	3.1
70.06574	0.3
70.20383	1.3
73.02911	0.8
75.04470	1.3
77.03937	0.4
78.04705	0.8
79.05496	0.7
81.03419	4.4
81.05822	0.3
81.07066	0.5
85.02914	3.9
87.00842	2.1
91.05482	3.3
92.05009	0.8
93.07027	0.5
94.04192	0.4
95.04947	0.6
97.02888	2.1
99.04454	1.0
104.05000	10.8
105.01862	0.7
105.05779	20.5
106.06560	4.5
107.04948	1.3
107.07347	1.3
108.04475	0.5
109.02879	2.7
109.06513	1.1
109.10136	0.4
116.04993	0.6
117.01891	0.6
117.05766	1.5
118.06557	4.7
119.02886	0.7
119.03698	10.2
119.07284	0.6
120.04467	11.0
120.79300	0.3
121.06503	2.3
123.06840	2.6
127.03916	4.0
128.18245	0.4
129.01802	0.5
130.02898	3.1
131.04944	0.5
132.04457	49.1
133.05241	36.2
134.02368	1.2
134.06030	12.5
135.06783	0.9
137.05887	0.4
144.04491	2.4
145.04942	0.9
147.02927	0.5
147.05536	1.0
148.03909	1.4
149.04727	46.2
151.06277	0.4
154.00514	0.5
159.02924	1.1
159.11768	0.3
162.05511	27.8
163.06291	100.0
164.07071	73.7
165.07358	1.0
166.00609	0.6
166.08638	1.3
166.14455	0.3
176.07040	0.5
179.05737	1.3
179.08147	2.1
188.07056	0.4
194.00015	1.4
194.08131	97.7
195.08432	0.9
202.04999	0.7
209.01158	0.5
231.04941	0.4
240.19144	0.3
267.03125	0.7
269.04666	0.8
282.40637	0.4
312.05203	1.8
327.05264	0.4
340.04764	1.0
372.07516	2.7
373.08252	0.6
404.10123	14.1
487.68475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01868	0.5
57.03430	0.5
61.02927	0.5
68.99802	0.3
69.03431	6.4
69.14201	1.9
69.14527	0.2
70.06591	0.2
71.04987	0.6
73.02902	0.6
73.37555	0.2
81.03419	8.2
85.02909	3.7
86.09682	0.3
97.02895	3.8
99.04460	1.4
107.04926	0.5
109.02885	5.4
111.00798	0.6
111.57588	0.2
115.03981	0.2
120.08126	0.2
121.02866	2.2
127.03920	4.7
133.02872	0.3
137.02306	0.5
139.03938	0.2
139.93338	0.2
145.04962	0.9
147.04434	0.5
153.01833	3.0
155.22743	0.2
157.06488	0.4
165.01872	1.4
183.02890	0.6
185.06042	0.5
187.06021	4.4
205.07164	0.3
213.05434	1.2
230.95403	0.2
231.06448	0.7
241.04979	0.7
258.05182	0.6
269.04523	0.2
287.05502	100.0
288.05795	1.8
304.77811	0.2
329.06604	0.4
395.07791	0.2
449.10815	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	653.1711
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.45325	0.2
53.03946	2.2
55.01852	0.4
57.03422	0.6
61.02907	0.6
69.03432	5.3
69.42372	1.6
71.04994	0.4
73.02918	0.7
73.35354	0.2
78.58202	0.2
81.03423	7.7
85.02429	0.4
85.02904	3.7
95.12598	0.2
97.02892	3.6
98.20779	0.4
99.04458	1.2
109.02885	5.4
111.00806	0.5
121.02872	1.8
127.03928	4.2
133.02800	0.3
137.02350	0.6
145.04955	0.8
147.04465	0.6
153.01819	2.6
157.06500	0.4
159.94743	0.2
165.01854	1.3
173.37267	0.2
183.02892	0.4
185.06033	0.4
187.06023	4.3
201.18524	0.2
205.07080	0.4
213.05479	0.9
231.06450	0.5
241.04935	0.8
258.05276	0.8
259.05951	0.4
287.05505	100.0
288.05838	2.1
311.05618	0.3
329.06586	0.7
395.07614	0.4
449.10822	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.6
70.99094	1.7
70.99416	1.7
79.05510	1.5
80.73750	1.0
81.07066	2.2
93.07070	2.2
105.06979	1.6
120.08098	1.3
144.89752	1.3
165.07567	1.0
183.34151	1.2
194.22830	1.0
195.95633	1.2
209.10808	2.5
210.11424	1.4
220.83362	1.4
221.10774	1.6
223.12283	2.7
224.13116	2.3
225.13841	3.9
226.14673	1.2
235.12648	1.5
237.10431	1.3
237.13936	2.7
249.10324	2.6
249.13968	2.2
270.13611	1.4
277.09747	1.8
280.11884	1.4
287.05411	2.1
293.09042	1.3
312.15656	1.2
326.12973	1.4
337.11957	1.2
352.14276	1.7
366.15881	1.6
375.17407	2.8
394.36438	1.3
396.13013	1.6
403.19400	1.9
415.15280	2.1
416.19907	1.5
429.17160	3.3
431.18469	3.8
443.18527	3.4
444.19336	1.9
445.20493	5.4
446.20938	4.2
447.21786	4.0
454.17398	1.9
457.16391	1.3
459.22235	7.7
460.22705	2.1
473.24182	1.7
474.20074	1.3
475.21332	2.5
487.21448	11.3
488.22180	2.0
500.60422	1.2
501.22467	4.7
503.20618	2.4
515.20740	2.3
519.23669	3.5
529.22321	3.6
531.20416	1.9
533.25006	3.3
534.22461	2.3
547.23199	3.7
561.25012	100.0
562.25397	4.9
589.24573	10.7
621.27094	85.0
622.27423	5.3
653.29480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10072	1.3
54.36235	1.3
67.05495	1.4
71.48987	1.8
76.83430	1.3
81.07057	2.4
91.05480	2.2
93.07031	1.8
95.08630	2.1
95.59061	1.7
96.40528	1.5
104.10734	1.5
107.08540	1.8
118.06515	1.6
142.27853	1.6
142.71992	1.5
144.69533	1.4
209.10675	2.1
210.11508	2.3
221.10715	1.7
223.12228	3.6
224.13051	1.7
225.13786	5.8
234.21590	1.5
237.13744	1.7
249.10347	2.4
251.11885	1.6
287.05386	5.1
337.11801	1.8
351.13760	1.7
352.14783	1.6
366.15802	2.5
389.17487	2.1
401.17657	2.4
404.20456	1.8
417.16547	1.8
417.39569	1.9
429.17197	4.7
431.18323	4.6
443.18753	4.0
444.19550	1.9
445.20279	4.3
446.21143	3.8
447.21619	4.2
454.17648	2.6
459.21683	5.3
471.18356	2.1
475.21384	1.9
487.21417	12.6
501.22974	2.3
515.20819	2.4
519.24200	2.2
529.22052	5.8
533.25214	4.2
534.22375	2.7
547.22809	2.2
561.24969	93.0
562.25226	5.7
589.24591	8.6
621.27057	100.0
622.27002	4.8
653.29095	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	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.36862	1.4
67.05484	4.5
71.49254	1.9
79.05490	2.9
81.07039	3.5
91.05492	1.9
93.07040	3.3
95.08619	3.6
97.97721	1.7
105.07040	2.6
107.04964	4.8
109.10163	2.6
126.66092	1.5
131.08533	1.7
133.15245	1.5
147.11696	2.1
209.10823	3.0
210.11450	2.1
223.12396	2.7
224.12927	1.6
225.13876	5.3
225.72194	1.6
237.13858	3.3
239.15375	1.7
249.10216	3.0
254.50122	1.6
287.05432	3.8
294.49112	1.7
302.21130	1.5
338.12848	2.3
416.16339	3.2
417.21036	2.0
429.17267	4.9
431.18402	5.2
443.18869	2.3
444.19354	1.7
446.20718	2.6
447.21732	2.0
454.17148	2.3
459.21817	6.3
474.20270	2.2
475.21075	3.5
487.21527	10.9
501.22604	4.5
515.20288	2.4
519.23480	3.5
529.22223	3.3
533.25366	3.5
534.22192	1.8
547.22717	2.1
561.25018	100.0
562.25354	5.4
589.24219	6.7
621.27112	91.1
635.42169	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	655.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05513	24.1
57.07079	20.7
60.31394	0.9
62.61633	1.1
65.03960	1.7
67.05494	8.1
69.07072	3.4
69.76422	0.8
70.93580	2.2
71.04999	4.5
72.28719	1.1
74.48272	1.0
79.05479	7.1
81.03436	1.8
81.07050	10.4
83.04982	100.0
83.08637	2.0
91.05497	12.8
93.07040	6.6
95.04994	3.8
95.08628	4.8
95.41193	0.9
95.94452	0.9
98.98479	5.2
105.07056	6.7
107.04942	1.0
107.08616	4.3
109.10181	3.7
115.05472	2.2
117.07067	3.3
119.08638	4.8
121.10184	4.0
123.11703	1.1
128.06235	7.9
129.07016	15.7
129.07915	1.1
131.04959	1.4
131.08618	4.3
133.10187	4.0
134.40108	1.1
135.11800	3.1
141.06985	6.1
143.08604	1.4
145.06522	1.5
145.10205	3.7
147.08063	8.4
147.11690	14.8
149.13347	1.7
149.61147	1.1
151.01628	3.0
155.08598	1.6
157.07671	3.5
157.10194	1.2
159.08136	2.1
159.11729	2.0
161.13345	2.9
171.11821	2.1
175.01566	48.2
181.02615	68.1
185.13295	1.7
187.01588	2.0
227.04701	28.1
227.06839	1.9
229.63713	1.1
231.07928	2.6
232.35428	1.1
239.04874	2.9
257.05737	8.4
257.47568	1.1
283.11047	8.6
313.11993	49.3
314.12338	1.3
331.13257	1.8
369.18298	27.5
376.30112	1.5
433.39474	1.1
487.12961	3.7
543.19104	56.0
563.25665	6.3
599.25354	87.8
600.25854	2.0
623.27448	7.2
637.41040	3.1
654.51129	1.4
655.31842	39.7
655.42560	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	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
55.60121	1.0
57.03437	5.3
57.06797	2.3
57.07079	44.0
61.02935	7.7
62.92116	0.9
64.61085	0.9
67.05509	11.1
69.03426	2.1
69.07074	7.8
70.60825	3.1
71.08634	34.8
73.02909	3.2
75.04459	2.9
81.03401	0.9
81.07059	16.4
83.08621	12.4
85.02910	9.7
85.04156	1.0
85.10181	17.5
89.06038	0.9
91.03959	10.2
95.08606	23.2
97.02918	6.3
97.10169	5.8
105.07012	1.6
107.04959	2.0
107.08582	1.4
108.17651	0.9
109.10163	13.5
111.11768	1.3
120.05698	1.1
123.11713	5.4
125.13282	1.3
127.03929	3.6
137.13289	2.2
140.35677	1.0
145.04980	3.8
155.88477	1.1
159.80861	1.0
163.06029	5.4
165.16576	1.0
169.34680	0.9
221.22858	1.4
227.69655	0.9
239.23698	29.7
257.24820	3.9
313.27365	100.0
314.27835	1.6
331.28494	11.0
457.31534	1.1
475.32516	2.2
484.91055	1.2
514.35437	1.2
527.93011	1.1
667.55762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.2
51.02381	0.4
53.03959	1.2
55.01874	0.3
57.03439	0.1
69.03430	0.3
69.26636	0.7
69.27052	0.3
70.06598	0.3
76.12183	0.1
77.03931	0.3
79.05495	1.1
81.03423	0.3
85.02905	1.3
87.00819	0.4
95.04979	0.8
97.02902	0.4
99.04462	0.1
105.01878	1.3
105.04529	0.5
105.07048	0.5
107.04960	100.0
108.05264	0.7
109.02896	0.5
115.17816	0.1
121.06429	0.1
124.50117	0.1
125.35315	0.1
127.03910	1.2
145.05005	0.4
149.06049	0.2
173.21223	0.1
189.03864	0.2
198.88817	0.1
213.09319	0.2
231.04965	0.8
249.06105	0.4
249.11267	0.1
266.00198	0.1
326.85922	0.1
335.11261	0.2
347.98615	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	656.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.05520	22.6
57.03434	2.4
57.07080	1.9
67.05186	2.2
67.05511	24.6
69.03427	6.4
69.07070	7.2
71.48209	2.9
79.05499	24.4
81.03419	4.1
81.07062	22.2
83.05001	3.0
83.08624	14.0
85.02901	2.0
88.36720	2.0
90.67977	1.8
91.05496	24.0
92.52296	1.9
93.07043	12.2
95.04962	3.4
95.08588	6.6
95.78782	1.6
97.02910	5.1
97.06563	2.7
97.10185	25.2
103.05480	11.6
105.07033	15.0
106.54458	1.8
107.04960	12.9
107.08613	13.4
109.06506	2.1
109.10152	6.6
111.08150	2.6
115.05476	4.5
116.06265	2.1
117.07032	31.7
119.08604	8.6
121.06519	2.3
121.10146	5.8
121.75904	1.7
123.04431	2.2
123.08096	1.8
125.05939	1.9
125.09638	18.8
127.03884	4.0
129.06993	13.4
131.04938	3.2
131.08597	20.8
133.06511	4.7
133.10155	3.0
135.08070	4.2
137.05884	1.9
141.06999	6.4
143.08539	5.5
145.06470	6.1
145.10175	9.5
147.08051	2.6
155.08553	7.0
157.06471	2.3
157.10110	4.5
159.07999	3.5
159.11618	3.0
169.10150	7.8
171.10237	3.9
171.11731	5.0
173.09636	2.6
181.10121	3.6
185.09744	2.5
187.14839	7.3
189.11209	8.6
195.11786	2.4
197.13275	8.2
213.12839	3.3
215.14355	33.0
227.12801	20.8
228.07359	2.3
233.15170	2.6
241.12357	2.3
349.21558	6.2
364.93237	2.0
367.22647	11.0
385.23792	7.3
403.24860	3.2
432.64957	1.9
441.26385	53.9
455.07541	1.9
459.27441	100.0
477.28299	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	656.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25924	0.6
55.05518	3.0
57.03415	0.9
57.07038	1.1
58.09363	0.5
66.98351	0.6
67.05500	6.4
69.07073	3.3
70.06554	0.8
71.04949	0.7
71.48853	1.1
79.05479	3.4
81.06606	0.6
81.07051	7.5
82.06526	1.7
83.08595	1.1
83.62865	0.6
84.61953	0.6
91.05447	3.0
93.07042	4.4
94.06516	1.1
95.08604	5.2
96.08097	1.3
97.06531	0.6
102.42178	0.6
105.07021	2.8
106.06538	1.4
107.04913	2.0
107.07334	5.6
107.08562	3.2
108.05244	1.2
108.08121	6.7
109.10085	1.7
110.09649	0.9
118.97085	0.7
119.08540	1.6
120.08040	0.9
121.08829	1.4
121.10102	1.1
122.09613	1.9
123.11679	1.6
124.11184	2.3
124.99989	1.4
129.52875	0.7
133.10068	1.5
134.09650	7.3
135.10434	30.7
135.11586	2.3
136.11131	2.6
137.11931	0.7
147.11594	1.0
148.11194	1.7
149.11966	3.4
149.13127	1.1
150.12775	4.1
151.13531	0.8
152.14348	3.5
167.09390	2.7
178.15910	50.7
180.15968	0.9
180.17480	13.1
196.16919	3.3
198.18585	0.8
222.08969	1.9
222.18497	7.8
228.27792	0.7
240.19521	1.8
276.13586	81.2
277.14078	0.7
278.15134	1.4
320.16214	100.0
321.16544	0.9
337.27252	4.5
394.19962	0.7
491.92722	0.8
612.40033	4.2
638.41766	1.5
656.42676	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	657.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.65302	0.8
55.01882	1.2
65.13367	0.7
67.76378	0.7
68.84047	0.8
69.03432	1.1
70.06593	2.7
71.25470	1.2
79.05490	2.2
81.03395	0.8
85.02895	1.0
86.09698	1.6
93.07043	0.8
95.04960	1.2
107.04957	100.0
108.05262	2.0
120.08086	0.7
121.02846	1.3
136.07565	1.0
146.06085	1.2
148.07695	0.8
162.56454	0.6
174.72459	0.7
178.04979	0.9
181.18385	0.8
199.08716	3.3
213.10265	3.8
227.08185	5.7
227.11771	3.7
229.09787	1.5
237.10307	1.0
239.11687	1.1
240.09021	1.5
241.06100	1.8
241.09668	11.1
245.12968	2.1
255.07645	1.2
255.11276	14.6
257.09290	2.0
259.10889	0.9
265.09677	1.3
269.09235	4.8
270.10101	1.1
273.12354	3.5
283.07480	1.6
283.10767	17.4
295.10770	2.8
301.08466	1.1
301.11877	2.2
311.10278	12.8
313.11798	2.2
329.11322	32.3
330.11569	0.9
339.09888	3.8
357.10800	21.4
371.12537	1.3
389.13422	81.0
390.13922	1.6
477.16309	1.0
495.17905	4.4
535.86725	0.8
621.21191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48494	1.6
55.01871	2.0
55.05507	6.0
56.15031	1.7
57.07078	3.3
60.57412	1.6
67.05505	10.2
69.07066	9.3
71.04987	1.8
71.08641	2.4
76.48866	1.6
79.05500	8.9
81.07056	22.1
83.04961	2.0
83.08617	3.9
85.06532	2.2
85.52689	2.1
91.05457	9.7
93.07052	15.7
95.04906	2.0
95.08608	18.0
97.06532	3.3
97.10097	2.4
105.07011	14.0
107.08584	17.5
109.10183	11.9
117.07012	3.0
118.97050	1.7
119.08572	12.6
121.06521	2.7
121.10155	10.3
122.64025	1.8
123.11688	3.2
125.09618	2.2
128.06207	1.7
131.08585	6.1
133.10168	8.7
135.11690	5.7
137.09604	1.9
143.08548	4.1
145.10130	6.4
147.11676	7.1
149.09657	2.7
149.13278	4.5
157.10130	5.0
159.11702	7.3
161.13275	3.5
163.14920	2.4
163.92065	1.8
169.10211	3.8
171.11618	4.3
173.13264	6.9
175.14832	4.3
185.13275	3.8
187.14873	3.1
189.16339	2.3
199.14888	4.4
201.16400	2.7
211.14847	1.8
213.16339	2.7
215.17902	2.0
247.12375	2.5
352.18011	2.5
377.18008	3.1
379.19067	4.2
391.19397	3.1
392.20349	2.5
393.16550	2.4
393.21048	3.5
405.21057	2.7
407.18231	3.3
407.22864	3.8
409.19995	5.6
419.18375	2.5
421.20142	6.1
422.20322	2.4
423.21793	18.0
433.19839	2.2
435.21698	7.0
436.22726	3.6
437.23627	3.3
446.20865	2.9
449.23911	2.3
451.20929	4.0
454.20078	2.8
461.23657	9.1
463.21362	2.1
465.22989	4.4
467.24472	3.6
477.22748	7.0
478.23453	3.7
479.25092	9.1
481.22260	3.6
493.22278	7.7
494.25784	6.6
495.23553	11.5
496.24692	4.2
507.24213	2.7
508.24866	11.3
509.26065	10.9
510.26321	9.8
511.27393	12.6
519.24152	2.0
521.25360	5.0
522.26318	2.8
523.23407	6.2
526.29517	2.5
537.25220	18.9
538.25854	8.3
551.22565	2.4
553.28345	10.7
565.24506	6.3
570.27966	4.5
581.27600	26.0
583.25250	6.5
597.27130	57.1
598.27448	6.5
613.30243	70.6
614.30438	2.8
625.26526	100.0
626.27032	3.7
639.50421	3.5
657.28479	5.1
657.41620	2.0
657.51630	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
57.07072	2.3
58.42479	1.8
67.05519	8.3
67.20881	1.6
68.62688	1.5
69.07059	5.1
79.05484	5.7
81.07059	15.0
83.04995	2.6
83.08613	2.8
88.59301	1.7
91.05464	6.1
93.07050	8.3
95.04942	2.4
95.08595	10.6
97.06544	2.1
105.07047	11.1
107.08583	10.4
109.10172	8.8
111.08115	2.0
115.94639	1.5
117.06990	1.8
119.07185	1.6
119.08580	8.3
121.10144	4.7
123.11694	2.7
131.07445	1.7
131.08556	4.2
133.10139	6.0
135.11691	3.3
145.10101	4.7
147.07964	1.6
147.11678	6.4
149.13275	3.2
151.11205	2.0
157.10167	2.0
159.11697	4.6
161.13274	3.6
171.11668	3.2
173.13329	3.1
176.36823	1.8
183.49123	1.6
185.13206	2.4
201.16396	2.9
203.36032	1.6
209.10686	2.5
211.14856	1.8
213.16472	2.8
215.17924	2.0
217.91003	1.9
247.12315	1.9
273.13818	4.0
275.15399	1.9
287.15234	2.3
302.16678	1.9
314.16833	1.8
349.14636	1.9
351.16022	1.5
352.17508	2.2
362.16153	2.9
364.17355	2.0
366.19012	1.8
375.16391	2.0
377.17813	4.0
378.18716	3.4
379.19345	5.2
380.20874	1.8
391.19165	5.8
392.20392	2.3
393.16684	3.0
393.21106	2.9
405.21045	3.0
406.21780	2.3
407.18375	2.6
408.19293	3.4
409.20142	6.0
419.18427	2.1
421.19907	8.1
422.21124	3.6
423.21844	22.9
424.21933	2.2
433.06207	1.8
434.21222	3.4
435.21869	6.0
436.22647	4.6
437.23358	5.6
449.23676	5.1
450.24384	2.1
451.21277	5.2
453.23065	2.0
454.19998	5.0
461.23877	8.6
463.21414	5.2
465.23288	7.7
467.24698	4.4
468.25076	2.8
476.22479	2.6
477.22632	5.2
478.23846	3.0
479.24936	8.1
481.22385	3.2
491.20676	2.7
493.22354	6.1
494.25806	6.4
495.23511	15.2
496.24435	5.1
507.23978	3.8
508.24680	15.5
509.25595	11.7
510.26450	15.8
511.27451	12.7
519.24182	2.3
521.25336	8.5
522.25873	3.4
523.23206	5.9
525.28497	5.5
537.25043	21.9
538.25763	8.5
539.26575	2.0
553.28546	11.9
565.24274	4.6
570.28076	5.3
581.27679	28.6
582.26129	2.0
583.25348	5.9
595.30444	2.4
597.18207	3.4
597.27136	59.3
598.27350	7.2
601.21252	2.6
607.25409	4.5
613.30255	82.8
614.30225	4.8
625.26563	100.0
626.26343	4.2
657.29639	8.5
657.51874	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	659.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64914	1.4
54.39122	1.2
56.96555	1.7
57.10821	1.3
69.03424	2.1
70.06593	5.5
71.48004	1.7
72.08163	1.5
80.43001	1.2
83.04986	1.2
85.02888	1.7
86.09738	3.5
87.24604	1.3
97.02884	1.7
98.97601	2.0
107.04956	49.9
108.05286	1.3
109.10268	1.5
137.05998	1.6
143.11798	1.9
147.04448	2.3
203.05969	1.7
219.01790	2.1
229.04723	2.4
325.05981	2.2
391.10010	23.2
391.15192	2.1
393.28802	1.5
435.14200	6.2
451.13699	23.4
479.12946	17.3
497.14252	50.7
553.15240	4.4
592.15686	1.7
603.67560	1.5
659.19452	100.0
660.20020	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50190	2.0
53.03945	8.1
55.01876	2.9
55.05510	8.4
57.03443	20.5
57.07062	2.0
61.02930	87.4
67.05508	39.5
69.03436	37.5
69.07067	9.0
69.21795	12.1
69.22218	8.1
71.01359	4.9
71.04991	4.8
73.02920	29.5
75.04471	2.3
79.05495	26.2
81.03417	23.1
81.07055	37.9
83.04982	5.0
83.08616	4.2
85.02908	100.0
87.04479	3.7
91.03957	58.2
91.04939	2.5
91.05486	16.9
93.07047	30.8
95.05000	3.6
95.08612	25.8
97.02900	78.8
99.04469	11.3
101.02380	8.3
103.03941	8.1
105.07023	11.9
107.08577	13.9
109.02872	10.1
109.10135	13.7
115.03936	6.9
117.05487	3.1
117.06995	3.9
118.80472	2.0
119.08603	8.0
121.10146	15.0
123.08105	1.9
123.11684	3.9
127.03925	32.8
129.05482	5.0
129.06998	2.8
131.08553	8.4
133.10144	8.1
135.11650	10.9
137.13326	2.1
143.08528	2.6
145.04967	29.6
145.10153	5.4
147.11682	7.2
149.13293	5.7
159.11719	6.5
161.13257	4.3
163.06024	5.7
163.14879	3.4
170.27179	2.1
171.11693	2.2
173.13255	6.7
181.12167	2.3
183.06596	7.2
185.13232	2.2
187.14783	3.6
201.07625	6.0
201.16388	3.0
243.21129	7.0
245.71068	1.9
259.20654	3.2
261.22125	21.6
303.23105	3.1
327.22958	2.3
335.25812	68.6
369.24295	2.6
443.28159	3.1
479.30042	5.8
659.35638	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	660.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03935	1.0
54.89656	0.3
55.01875	0.6
55.05515	0.4
67.05510	0.8
69.03425	0.7
69.07081	0.4
70.06596	1.7
71.47978	0.6
77.03928	0.5
79.05486	2.6
81.03400	0.3
81.07056	2.3
83.04997	0.7
84.08175	0.4
84.91267	0.3
85.02926	0.6
85.06528	0.5
86.09717	0.6
91.05489	0.9
93.07046	3.6
94.06574	0.4
95.04981	1.5
95.08603	2.2
97.06525	1.0
99.04440	0.9
105.04515	0.6
105.07037	1.8
107.04958	100.0
107.08593	2.3
108.05287	1.4
109.06529	1.7
109.10096	0.4
111.08083	0.7
117.06941	0.4
119.08597	1.1
120.08097	0.5
121.06513	3.1
121.10169	0.4
122.06014	0.3
125.05989	0.6
127.03894	0.3
127.07573	0.7
131.04938	0.7
131.08633	0.6
133.06491	0.5
133.10162	1.0
135.04387	0.7
135.08081	0.9
136.07608	0.7
137.06001	1.2
137.42810	0.3
138.09081	0.4
139.07603	0.7
143.07066	0.4
143.08510	0.4
145.10161	0.8
147.04422	0.7
147.11700	3.0
157.10104	1.1
159.08000	0.4
161.13297	0.8
165.12802	0.6
166.08731	0.5
171.11714	1.4
172.03931	0.4
173.09651	0.6
173.13313	0.5
175.11198	2.0
189.12753	2.1
193.12263	1.5
199.11162	1.5
204.06511	0.5
207.13759	1.6
209.12993	0.3
217.12263	6.0
235.13281	11.0
253.14362	18.3
271.15497	2.6
280.30356	0.3
284.30106	0.3
286.12939	0.3
321.13300	1.1
339.14493	2.0
357.15485	5.2
375.16431	2.3
399.78931	0.3
498.17056	0.6
628.24817	0.7
642.25580	0.4
660.27179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00774	1.1
53.03944	2.3
55.01851	2.5
55.05514	6.5
56.96562	5.8
57.03428	2.2
61.02940	1.7
67.05508	21.6
68.40144	1.0
69.03416	1.5
69.07078	6.5
70.06590	1.6
71.05003	1.5
71.27203	1.1
71.48647	1.3
71.95228	1.0
79.05497	13.6
81.06593	1.6
81.07058	21.4
83.08606	3.9
85.02908	2.9
91.05484	22.7
93.07052	16.8
95.04986	2.2
95.08610	11.8
97.06523	2.5
97.10193	1.4
103.05479	1.3
105.07037	20.1
107.04942	3.9
107.08587	8.8
109.06519	2.7
109.10155	4.5
114.07321	1.1
115.05489	1.2
117.07027	8.2
119.04978	1.3
119.08588	13.4
121.06490	3.3
121.10158	8.1
123.08065	1.9
123.11739	1.7
128.06169	1.4
129.07007	6.2
131.04926	1.9
131.08585	16.8
133.10132	8.7
135.08064	2.2
135.11714	2.6
141.06960	2.9
143.08592	5.9
145.10117	9.2
147.08023	1.6
147.11690	4.0
149.09673	1.3
149.13228	2.0
153.02284	1.4
155.08582	4.0
157.10175	5.1
159.11711	6.5
161.13295	1.8
167.08545	2.1
169.10149	3.3
171.11687	4.0
173.13141	1.7
175.14825	1.1
180.35497	1.1
181.10147	3.4
183.11717	2.6
185.13228	2.2
185.45303	1.0
195.11598	1.3
197.13202	1.6
199.14726	1.9
204.24869	1.2
205.62906	0.9
211.11087	1.0
211.14783	1.4
215.14308	1.3
223.14894	1.3
225.16348	1.2
247.16942	1.7
266.11685	1.3
273.07599	1.1
274.08090	1.4
275.20117	1.8
277.10950	1.6
278.11722	1.1
279.12878	1.3
281.10556	2.0
291.28336	1.1
325.25140	1.8
331.15765	7.5
332.16138	6.4
335.23633	1.8
343.26297	2.0
349.16782	11.5
350.17160	10.6
353.24771	8.3
367.17902	6.2
368.18317	8.2
371.25848	8.2
389.26904	14.2
391.19781	1.3
445.29572	28.5
463.30576	100.0
464.31009	1.9
589.01288	1.2
660.38251	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43966	0.8
53.03941	2.0
53.15774	0.8
55.01865	1.1
55.05514	6.1
57.03428	1.9
59.13751	0.7
61.02925	1.1
62.79862	0.8
64.31306	0.8
65.03949	1.3
67.05135	1.1
67.05505	18.9
67.13677	0.9
69.03421	1.6
69.07069	6.5
69.12338	9.9
71.04974	1.7
79.05493	14.3
81.03389	0.9
81.07061	17.9
83.04978	2.1
83.08617	3.9
85.02895	2.4
91.05489	15.6
93.06496	1.5
93.07046	16.2
95.04957	2.4
95.08615	11.2
97.06530	2.3
97.10198	1.3
103.05478	1.1
105.07030	19.6
107.04954	2.5
107.08601	8.7
109.06526	1.5
109.10149	3.4
111.08049	1.2
117.07029	8.1
119.08591	13.0
121.06473	1.9
121.10159	4.8
121.56984	0.9
123.08058	1.7
129.06992	5.3
131.08572	14.3
133.10153	7.0
135.08054	0.9
135.11687	2.1
137.05957	0.9
141.06984	2.9
142.07750	0.9
143.08589	6.2
145.10138	6.6
147.11691	2.6
149.09631	1.5
149.13225	2.4
153.07011	1.2
155.08566	2.9
157.10135	4.6
159.11662	4.7
161.09593	1.5
161.13284	1.1
165.06967	0.9
167.08519	0.9
169.10150	1.9
171.11711	2.8
173.13223	1.5
175.01607	1.0
181.06421	1.0
181.10097	2.0
183.11656	1.6
185.13293	1.9
195.11714	1.9
197.13214	1.4
199.14787	1.2
201.16451	0.9
209.13260	1.3
211.14822	1.1
213.09143	5.3
227.14272	1.4
229.16078	0.9
232.22804	0.9
233.15611	0.9
239.07005	1.7
239.94983	0.9
241.08559	6.5
247.16873	1.4
261.18372	1.5
269.17502	3.8
335.23282	1.4
343.26370	2.0
353.24747	4.6
371.25775	8.6
389.26852	15.1
410.90027	0.9
417.05536	1.1
445.29663	10.0
463.30551	100.0
464.30835	2.9
481.31509	1.1
513.39355	1.0
662.33612	0.9
677.84729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01864	2.0
55.05322	0.6
55.05519	6.3
56.25209	0.6
57.03442	7.0
57.07062	1.7
58.45127	0.5
61.02911	2.1
65.03930	1.5
67.05509	35.8
69.03430	1.1
69.06735	1.0
69.07075	12.4
69.68261	4.1
71.04982	2.2
73.02914	1.0
79.05495	21.4
81.03412	1.9
81.07059	45.6
83.04984	4.1
83.08627	9.2
85.02890	1.1
85.06548	3.1
91.03947	1.3
91.05492	10.0
93.07051	34.5
95.04964	3.3
95.08617	11.0
97.02885	1.3
97.06529	7.0
97.10157	1.1
98.00638	0.7
99.08080	3.0
105.07033	3.8
107.08601	17.6
109.02880	0.6
109.06512	1.6
109.10139	2.0
111.08108	4.7
113.09592	0.8
117.07034	5.2
117.09561	0.6
119.08580	1.4
121.06518	0.7
121.10156	14.1
122.58655	0.6
123.08096	1.3
123.11678	1.0
127.03876	0.8
131.08585	6.5
133.10146	4.6
135.08034	1.3
135.11693	5.5
137.05936	0.6
139.11180	1.1
147.11717	1.7
149.13274	22.6
151.11104	0.7
159.11702	9.2
167.14326	1.0
177.12758	3.9
195.13870	6.4
213.14902	1.0
251.16673	0.8
269.17493	61.3
270.17651	1.1
272.56927	0.7
424.38864	0.7
463.30560	100.0
464.31033	3.4
529.69678	0.7
671.48151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.05519	6.7
57.03442	4.9
60.23686	1.0
61.02921	2.2
65.03914	0.8
67.05509	28.6
69.03455	0.9
69.07078	8.9
70.39523	0.7
70.45379	2.7
71.04993	2.5
73.02910	1.2
79.05500	16.6
81.03413	2.1
81.07059	39.4
83.04996	2.5
83.08617	9.0
85.02911	3.2
85.06547	2.0
88.12564	0.7
91.03964	1.7
91.05496	14.1
93.07051	27.9
95.04978	1.4
95.08611	11.2
97.02885	2.0
97.06534	5.0
98.40593	0.7
105.03405	0.9
105.07043	6.6
107.04972	2.3
107.08604	15.2
109.06528	2.2
109.10168	3.5
111.08081	2.9
117.07027	6.3
119.08585	3.0
121.06483	1.2
121.10151	8.0
123.11676	1.7
129.07042	2.1
131.08562	7.2
133.10144	7.4
135.08055	1.3
135.11684	3.9
141.07132	1.1
143.08577	1.5
145.10152	2.2
147.11650	1.4
149.13283	11.6
155.08563	1.4
157.10176	1.4
159.11714	6.5
177.12750	2.8
181.06650	0.9
181.10016	1.0
195.13855	7.1
196.05290	0.8
211.07564	1.2
213.09094	1.6
241.08575	2.1
242.09311	1.5
251.16466	1.9
269.17493	27.6
353.24756	1.4
371.25949	2.1
389.26996	0.9
445.29486	14.5
463.30579	100.0
464.30927	2.7
481.16815	3.1
498.20773	1.0
607.35083	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	661.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01871	2.5
55.05514	13.6
57.03445	20.9
57.07077	3.3
61.02930	76.0
65.03950	1.7
65.63405	1.1
67.05511	39.3
69.03432	29.7
69.06728	1.7
69.07070	16.3
71.01371	3.1
71.03979	2.3
71.05003	5.1
71.08617	2.2
73.02921	22.8
75.04474	1.6
79.05501	12.5
81.03420	22.4
81.07057	40.5
83.01339	2.1
83.04980	7.0
83.08636	9.1
85.02908	100.0
85.06554	1.9
87.04476	3.7
89.89890	1.1
90.30737	1.2
91.03958	59.0
91.05483	11.0
93.07054	14.7
95.05000	2.2
95.08611	29.6
97.02895	72.7
97.06535	3.5
97.10173	4.6
99.04469	10.2
99.08102	1.3
101.02405	7.3
103.03943	9.9
105.07028	9.1
107.04944	1.9
107.08588	8.7
109.02882	12.4
109.10161	12.5
109.58186	1.2
111.04472	3.2
111.08090	2.1
115.03948	8.4
117.05515	1.5
117.07027	1.4
119.08573	6.7
121.10136	7.5
123.11748	5.9
125.09628	1.7
127.03920	33.1
127.11271	1.3
129.05534	5.2
129.07047	1.9
131.08597	2.8
133.10127	6.3
135.11710	6.3
137.06021	1.6
137.13318	3.5
143.08539	1.4
145.04971	25.0
145.10136	3.5
147.11705	5.0
149.13243	4.2
151.11176	1.6
159.06583	2.1
159.11722	1.2
161.13286	3.9
163.06027	10.6
163.14838	3.0
165.12753	1.1
165.16370	1.5
171.06555	1.5
173.13333	1.3
175.14905	3.0
183.06522	6.8
185.13184	1.6
187.14787	1.3
201.07622	6.8
203.17967	1.0
221.15312	1.2
245.22696	8.9
255.20929	1.3
259.20505	1.4
261.22043	2.4
263.23703	15.5
275.23813	1.4
291.23331	1.3
302.96844	1.3
305.24609	1.6
329.24564	2.0
335.25632	1.6
337.27368	76.1
338.27740	1.1
347.25558	1.6
353.24619	1.4
365.26892	3.4
371.25781	3.6
389.26990	2.2
407.27774	1.8
421.29614	1.5
445.29456	4.0
463.21008	1.2
463.30624	3.0
481.31683	8.9
499.32339	1.9
584.94263	1.1
661.37115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.5
55.01878	5.4
55.05517	32.3
57.03436	10.9
57.07064	11.9
57.39931	3.9
63.05713	3.6
65.03949	4.3
67.05183	5.9
67.05512	81.4
67.05852	8.6
69.03424	5.7
69.07072	32.3
69.42564	28.8
71.04971	4.8
79.05499	57.0
81.07061	100.0
82.07372	5.8
83.04979	4.3
83.08598	16.1
87.04473	54.9
88.79234	3.6
91.05489	55.2
93.07056	70.4
95.04970	7.6
95.08611	71.7
96.08942	5.2
97.06524	11.0
97.10157	15.1
99.08085	5.6
103.05471	4.4
105.07047	53.7
106.07359	5.0
107.08594	54.7
108.08950	5.4
109.06496	5.2
109.10163	39.7
113.12067	4.5
117.07027	18.9
119.08588	43.5
121.06477	6.0
121.10149	35.9
123.11706	10.6
125.09633	14.1
129.07022	6.7
131.08580	26.3
131.92628	4.6
132.92337	3.8
133.10129	30.9
135.08058	7.5
135.11700	25.2
137.09711	5.2
143.08545	8.5
145.10162	27.8
147.08000	5.8
147.11703	21.1
149.09634	9.9
149.13277	14.2
151.11276	4.6
157.10094	14.8
159.11720	20.9
161.13271	13.0
163.11125	7.4
169.10095	5.3
171.11659	6.4
173.13306	11.0
175.14781	7.3
177.12701	4.6
179.14249	8.9
181.73802	3.7
185.13252	13.3
187.14804	6.8
197.13428	4.7
201.16510	5.3
203.14220	6.0
227.12781	21.8
243.21034	4.3
257.19077	11.6
259.20630	5.4
261.22241	6.0
275.20081	34.1
277.21570	8.2
335.25790	45.7
349.23819	31.1
489.35641	7.3
496.69958	5.1
527.37677	4.4
550.38721	4.1
555.96088	4.2
583.77527	4.0
609.44684	14.1
626.54608	4.8
627.46033	11.4
662.45148	6.2
663.47968	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.7
53.03946	9.1
55.01875	4.1
55.05516	28.5
57.03428	11.5
57.07066	12.3
65.03951	6.0
67.05509	86.6
69.03422	3.5
69.07072	25.6
70.79317	6.4
70.79666	3.8
71.05006	5.6
75.59451	2.7
79.05498	72.7
81.03429	4.4
81.06597	5.6
81.07061	100.0
83.04996	7.5
83.08630	13.9
87.04475	36.1
91.05487	52.1
93.06487	5.4
93.07047	83.4
95.04966	8.9
95.08608	59.1
97.06514	11.3
97.10169	4.4
99.08064	3.6
105.07040	42.0
106.19736	2.8
107.04950	4.4
107.08604	46.1
109.06552	5.1
109.10188	21.3
111.08080	6.7
115.05463	3.7
117.06995	14.7
119.08584	28.4
121.06516	4.8
121.10155	32.5
123.07997	5.5
123.11693	6.6
129.07002	3.0
131.08571	22.7
133.10155	24.9
135.08119	3.9
135.11714	21.6
137.09644	4.8
143.08582	4.3
145.10115	19.1
147.11667	13.2
149.09619	6.6
149.13251	14.8
157.10146	6.8
159.11732	19.0
161.13254	7.9
163.11253	3.3
163.14828	4.2
169.10039	3.6
171.11731	5.3
173.13307	8.1
175.14821	5.5
185.13365	4.0
186.23688	3.1
187.14861	6.1
197.13095	3.4
199.14833	4.6
201.82863	2.8
254.07349	2.8
255.15935	6.8
257.18967	4.0
261.22061	6.9
269.17435	11.4
275.20102	21.5
275.53735	3.4
277.21658	3.4
317.24744	3.2
335.25793	48.3
349.23828	9.0
349.94833	3.1
515.37421	7.2
529.38928	52.5
530.38574	3.5
555.19977	3.3
644.54266	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	663.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05500	1.0
55.67839	0.5
57.07081	47.2
62.71827	0.6
67.05464	2.2
69.07031	2.3
69.35665	1.0
69.36060	4.1
75.04666	0.6
77.03954	0.9
79.05456	2.2
81.07059	6.5
83.08614	0.7
85.06531	0.5
86.35250	0.5
87.04438	0.7
91.05486	7.9
93.07049	3.7
95.04937	1.3
95.08613	4.5
96.66790	0.5
97.10141	0.8
104.06934	0.5
105.07050	4.6
107.08585	4.1
109.10182	2.9
119.08591	3.2
121.10107	2.1
123.11684	2.2
131.08559	1.6
132.09319	1.0
132.23552	0.6
133.10175	2.8
135.11629	2.1
145.10100	1.3
147.11708	7.2
149.13223	1.6
152.06227	0.9
153.07027	3.3
153.12732	1.3
159.11661	1.6
161.13214	1.8
163.14848	0.8
173.13211	0.9
177.16341	0.6
177.46997	0.5
189.16330	1.1
201.16414	0.8
203.17955	0.6
207.92992	0.6
228.09219	1.0
229.10106	1.1
233.03651	6.6
251.04691	16.3
300.12778	0.7
307.10886	2.3
327.07828	100.0
328.08157	1.8
383.14084	70.7
384.14374	1.7
439.20380	63.0
440.20822	1.8
495.26639	69.8
496.27020	1.9
500.93829	0.6
551.32898	88.0
552.33160	3.3
607.39136	59.5
608.39783	2.2
627.55023	0.9
645.55988	1.7
663.45435	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.5713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45721	0.9
53.03940	1.7
55.05510	2.7
57.07081	53.9
61.68215	1.1
67.05508	7.6
69.07077	5.9
71.49364	0.9
77.03999	1.3
79.05479	6.6
81.07057	21.5
83.08622	2.6
85.06492	1.2
87.04459	3.5
91.04624	1.0
91.05493	9.9
92.98219	0.9
93.07053	12.5
95.04966	1.6
95.08605	16.1
97.10199	1.2
105.07045	8.6
107.08599	10.8
109.10165	13.1
111.08092	1.3
111.11666	1.1
117.07003	1.8
118.83799	1.1
119.08593	9.5
119.40112	1.0
121.10157	8.8
123.11741	5.9
131.08562	1.9
133.10136	5.8
135.11682	6.3
137.13226	1.7
143.08495	1.3
145.10095	3.9
147.11679	11.6
149.13268	8.1
152.06242	1.7
153.06987	3.7
159.11719	3.4
161.13249	4.9
163.14836	3.6
169.10123	1.6
171.08096	1.1
173.13277	2.7
174.13524	1.1
175.14822	2.7
177.16434	1.8
183.11670	1.2
184.21259	1.2
185.13196	1.3
187.14812	3.3
189.16338	2.2
199.14914	1.6
201.16476	1.3
203.17885	2.0
213.16357	1.5
215.17957	1.4
228.09340	1.2
229.10185	1.6
231.21049	1.2
233.03526	6.1
251.04689	16.0
307.10773	1.7
327.07816	100.0
328.08093	3.3
383.14090	70.4
384.14377	4.0
409.34280	1.1
423.35941	1.2
439.20361	60.7
440.20447	2.7
481.30936	1.0
495.26605	75.1
496.26682	4.0
539.78650	1.1
551.32855	89.5
552.33105	6.3
607.39154	57.9
607.49115	2.4
608.39221	4.2
645.55798	1.3
663.45380	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	664.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77176	0.7
54.01473	0.6
54.60875	0.7
55.05513	6.7
57.03440	10.5
57.07080	21.8
58.30201	0.7
59.04991	2.5
61.02924	4.2
65.03938	1.2
67.05507	59.1
69.03448	0.8
69.07074	6.2
71.04981	2.3
71.08636	17.4
72.84076	0.6
79.05466	2.5
81.07061	13.1
83.08627	7.4
85.02911	3.5
85.06519	1.7
85.10193	8.4
87.04446	0.8
89.06026	1.1
91.03938	0.9
91.05505	4.0
93.07034	2.7
95.08613	13.7
97.02879	2.1
97.10164	1.7
98.21589	2.0
103.07597	0.8
107.08585	1.7
108.02624	0.7
109.06502	0.8
109.10160	64.4
110.92822	0.7
111.08080	2.4
119.08556	3.8
123.11703	2.0
127.03905	0.8
137.09605	2.0
155.10672	5.9
173.11745	13.9
229.14359	100.0
230.14659	1.2
239.23721	1.7
257.24701	1.6
313.27374	84.1
314.27740	1.4
467.37338	64.6
468.37854	1.3
517.64136	0.7
664.47156	0.8
686.25494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05513	6.3
57.03436	2.7
57.07073	6.2
67.05495	13.4
69.07066	6.9
71.26594	6.7
74.35253	3.1
74.36864	3.2
79.05492	15.1
81.07064	29.5
83.08613	5.1
91.05480	8.3
93.07056	12.7
95.04938	4.4
95.08630	16.4
105.07046	9.9
107.08588	11.4
109.06551	9.0
109.10146	5.2
111.04448	15.4
115.45716	3.8
119.08578	6.5
121.10130	9.2
125.05981	4.0
133.10103	6.0
135.11697	5.3
137.05989	100.0
145.10139	4.0
147.11662	5.0
151.07576	3.8
161.09601	6.8
161.13266	5.2
163.11165	4.0
175.11214	4.5
183.63484	2.9
231.17596	4.8
245.75427	4.1
249.18477	3.8
277.18021	54.3
295.19052	4.6
327.07639	3.4
335.25742	32.1
351.21548	15.9
488.17709	3.4
498.69247	3.5
545.42102	3.7
552.33032	5.7
611.42896	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.9
54.72714	1.8
55.01868	6.5
55.05514	34.5
57.03445	15.1
57.07079	9.7
61.27604	2.1
65.03942	4.5
67.05511	94.7
68.09995	2.1
69.07072	36.4
70.73501	5.7
71.04988	5.2
71.08634	5.8
79.05501	71.8
81.03416	2.9
81.07067	100.0
83.04977	7.6
83.08615	18.1
85.06584	4.6
86.44077	1.9
91.05493	46.1
93.07053	72.0
95.04969	8.2
95.08617	67.1
97.06551	9.6
97.10185	11.2
99.08092	6.0
103.05439	2.7
105.04524	2.8
105.06323	2.2
105.07040	44.8
107.04948	2.7
107.08604	38.7
109.06503	4.5
109.10165	27.1
111.08092	6.9
117.07027	16.3
119.08596	33.1
121.06463	3.1
121.10159	25.4
122.10472	2.9
123.08076	2.8
123.11736	10.1
125.09662	5.1
129.07021	8.4
130.14847	2.2
131.08594	22.3
133.10156	25.4
135.08134	2.8
135.11723	14.3
139.11160	2.1
143.08560	6.5
145.10129	16.5
147.11705	15.8
149.09659	3.4
149.13281	11.8
151.11211	2.9
157.10144	5.4
159.11743	18.6
161.13264	9.8
163.11183	5.2
163.14810	5.3
165.12703	2.9
169.10130	5.0
171.11719	5.2
172.86449	2.1
173.13322	5.8
175.14818	4.9
177.12711	2.8
179.14323	2.9
183.11713	3.7
185.13274	8.0
187.14851	3.1
189.16356	4.7
195.13890	5.2
201.16435	2.8
203.14349	4.5
215.18179	2.1
219.17447	3.8
227.12706	11.3
239.18027	4.3
255.16039	2.6
257.19028	8.5
261.22165	3.3
269.17471	14.9
275.20172	13.9
277.21719	6.4
327.07706	6.5
328.08267	3.3
331.22696	2.7
335.25830	21.3
337.27411	51.4
349.23734	14.5
351.25323	4.4
383.14163	2.6
384.14288	2.0
407.33786	1.9
440.19962	2.2
491.37259	3.0
495.26367	2.4
507.37112	2.7
517.38812	2.6
529.38940	39.2
531.40344	3.1
551.32373	2.6
552.33185	5.8
580.88837	2.1
608.39233	2.5
611.46747	18.6
629.46912	2.9
664.45898	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05333	2.7
53.03938	4.9
55.01855	3.8
55.05517	23.3
57.03447	8.4
57.07101	6.1
59.04998	2.8
65.03951	4.1
67.05513	68.2
69.07072	27.7
69.49207	16.3
69.49615	4.8
70.05573	2.8
71.03867	3.1
71.04987	3.2
71.08625	4.9
79.05086	3.5
79.05508	56.2
81.03448	3.3
81.07062	80.4
83.04979	10.2
83.08629	12.1
91.05489	40.1
92.26363	3.2
93.07053	61.8
95.04982	12.6
95.08617	44.3
97.06525	7.4
97.10204	4.9
99.08105	6.3
105.07030	26.2
107.08608	33.3
109.06470	4.5
109.10152	16.2
117.07021	11.6
119.08590	16.0
121.10141	23.1
123.11754	6.1
131.08603	14.6
133.10132	17.0
135.11690	13.2
145.10106	7.0
147.11707	10.1
149.13261	12.7
151.11234	3.3
157.10182	5.8
159.11714	11.0
161.09874	3.0
161.13280	6.7
173.13264	5.3
177.12813	6.0
223.95790	3.2
227.12767	4.6
251.16470	3.0
269.17371	14.6
277.21667	9.8
327.07867	6.9
328.08301	4.3
335.25787	25.3
337.27374	4.4
351.25290	9.3
440.20963	4.3
507.37906	3.6
529.38898	100.0
552.32800	4.1
608.39117	7.1
611.46545	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	665.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01859	0.9
57.03431	1.1
59.96817	0.5
61.02917	2.2
65.03928	0.6
69.03096	0.5
69.03433	6.5
70.06609	1.0
70.77126	0.4
70.77477	1.5
71.05007	0.9
72.08171	0.8
73.02927	0.6
73.64260	0.4
79.05480	1.9
81.03420	2.8
81.07063	1.1
85.02910	15.7
86.09705	11.8
87.04435	1.2
89.78185	0.5
91.05486	4.3
93.07038	1.3
93.49554	0.5
94.04195	3.1
97.02906	5.5
98.85183	0.5
99.04455	0.7
103.05459	5.4
104.06236	1.2
105.07034	4.3
107.04947	3.3
109.02870	1.7
109.06534	1.5
115.05478	3.0
117.07027	1.9
119.04935	0.8
119.08585	3.2
120.08108	50.2
121.06503	0.7
121.10117	0.7
122.03658	7.4
127.03928	3.3
128.06209	1.8
129.06996	2.6
131.04944	7.5
132.05750	3.2
132.10190	1.3
133.06491	3.1
135.04370	0.7
136.07515	0.7
137.05983	100.0
138.06311	0.7
141.06982	0.7
143.04950	0.9
145.04971	1.7
145.06479	1.3
146.03662	1.1
147.04456	1.4
147.08051	4.4
149.05995	1.9
149.09583	2.5
156.05692	0.8
159.08095	2.3
160.05185	2.2
161.06001	13.6
163.07553	13.0
165.06984	0.8
166.08595	1.3
167.06992	0.5
169.06520	1.0
171.07999	1.0
175.07550	53.2
176.07983	0.7
179.07053	1.4
182.07140	0.5
184.05214	1.1
187.07558	6.9
189.06955	0.6
189.09166	0.7
189.12733	1.2
190.07782	1.3
191.08562	5.0
199.07538	8.5
201.09183	1.5
202.07793	3.1
203.08528	4.6
205.06586	0.7
207.13882	0.7
208.08923	0.8
217.08641	1.4
218.07295	1.6
219.08037	10.0
220.08746	2.4
221.09541	0.5
222.61494	0.6
225.14847	4.2
231.08083	7.5
232.08830	1.5
233.09593	1.1
233.16586	0.6
235.07747	0.8
235.11270	0.8
236.08441	1.7
245.09547	0.6
247.07547	4.0
248.08421	4.3
249.09238	1.4
251.10658	11.8
259.07547	5.0
260.08459	2.5
261.09192	1.0
263.07947	0.7
263.10617	4.0
264.07803	1.0
265.08612	1.3
265.83331	0.5
272.12744	1.1
273.13110	1.6
274.13327	0.7
276.07858	2.2
277.08679	2.7
279.10242	8.2
279.17038	22.8
280.10956	1.4
291.10162	13.8
292.10883	3.8
293.07901	1.1
295.13242	1.2
296.10696	0.9
308.10400	1.3
311.12787	26.9
315.10025	0.7
323.12787	25.3
325.14380	3.8
341.13882	1.9
355.73471	0.6
399.31946	0.6
431.36688	0.5
460.18286	0.5
576.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05510	1.1
57.03426	1.5
60.82040	0.3
61.02929	3.2
65.40618	0.4
67.05505	5.2
68.98835	0.3
69.03436	2.5
69.07076	2.0
70.76277	0.5
70.76610	0.7
71.01361	0.4
71.05008	0.6
73.02912	2.0
79.05487	2.9
81.03443	1.8
81.07057	7.7
82.26438	0.4
83.05007	0.7
83.08627	1.5
85.02906	3.2
85.06535	0.6
87.90257	0.3
91.03944	2.1
91.05478	1.5
93.07043	4.7
95.04995	0.7
95.08598	2.2
95.69722	0.3
97.02888	3.2
97.06532	1.5
97.10204	0.5
99.04471	0.7
101.02371	1.1
105.07034	1.2
107.04941	3.1
107.08590	2.5
108.05324	0.5
109.02906	0.7
109.10150	0.7
111.08128	0.9
117.07027	1.0
119.08543	0.7
121.10145	2.0
123.08107	0.5
125.05939	0.5
125.09637	0.4
127.03927	1.4
131.08586	0.8
133.10159	1.0
135.08084	0.6
135.11646	0.5
147.11653	0.4
149.02344	0.6
149.13261	2.8
159.11754	1.5
169.10274	0.4
177.12720	0.7
193.04985	0.5
195.13849	0.7
235.13080	1.5
243.08484	1.7
244.28470	0.4
265.01010	0.3
269.17532	0.7
275.20117	0.5
291.15677	0.5
295.13776	0.4
297.16882	0.4
302.25739	0.4
316.79114	0.4
345.20148	0.4
453.20953	13.4
496.70074	0.4
665.35052	100.0
666.35309	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	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05503	1.4
57.03439	1.2
61.02922	3.2
67.05511	3.7
69.03435	1.9
69.07071	1.3
70.06593	0.5
70.73817	0.8
71.05006	0.6
73.02902	2.5
79.05494	3.0
81.03434	1.4
81.07047	4.4
82.72653	0.4
83.04970	0.8
83.08607	1.4
85.02900	4.3
85.06589	0.5
86.09692	0.4
91.03965	2.6
91.05485	2.0
93.07044	3.5
95.04991	0.6
95.08614	1.8
97.02891	3.9
97.06515	1.2
99.04484	0.9
101.02399	1.5
105.07050	1.3
106.31775	0.4
107.04961	2.2
107.08620	2.0
109.02874	0.8
109.06513	0.6
109.10167	1.0
111.08125	0.4
117.07004	0.7
118.66985	0.4
119.08598	1.1
121.10164	1.7
127.03903	1.3
129.16154	0.4
131.04950	0.6
131.08594	0.8
133.10146	1.4
133.75725	0.4
135.08139	0.5
135.11740	0.9
137.06065	0.5
145.10187	0.6
149.09700	0.6
149.13271	1.2
158.56187	0.4
159.11725	1.2
182.89818	0.4
194.66812	0.4
195.13850	1.3
235.13113	1.8
243.08470	1.8
268.19604	0.4
269.17548	1.4
291.15598	0.8
341.64929	0.5
347.50223	0.5
375.51450	0.4
453.20972	16.9
597.04163	0.4
665.35071	100.0
666.35303	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	665.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
55.05501	0.4
56.32749	0.3
63.04700	0.4
67.05498	1.3
70.06580	0.6
70.99564	0.8
73.14322	0.4
79.05505	1.0
81.03396	0.7
81.07058	1.5
83.08622	0.7
83.11581	0.4
85.02901	0.6
91.05492	1.0
93.03931	0.4
93.07050	1.2
95.04964	0.8
95.08609	0.8
96.85507	0.4
97.02885	0.6
97.06518	0.5
97.35980	0.4
102.04163	0.4
105.07030	1.0
107.04958	1.1
107.08603	0.5
109.06565	0.5
109.10157	0.8
110.46811	0.4
111.08058	0.4
119.08577	0.9
131.08603	0.7
133.10156	0.7
145.10097	0.5
147.11699	0.4
151.11238	0.5
159.11615	0.5
185.04294	0.6
190.06647	0.4
200.19936	0.4
203.05246	0.9
215.60828	0.4
256.26468	0.4
259.07938	1.0
331.09949	0.9
453.20929	1.6
503.29755	2.7
665.35034	100.0
666.35352	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05532	1.6
57.03423	0.9
61.02924	2.4
67.05503	5.5
69.03436	2.1
69.07066	2.2
69.82507	1.1
69.82926	2.7
71.04993	0.7
73.02912	2.5
79.05498	2.3
81.03426	1.5
81.07058	5.5
83.04967	1.2
83.08620	1.4
84.08125	0.7
85.02908	3.7
91.03959	2.1
91.05505	3.2
93.07075	5.4
95.05000	1.0
95.08611	2.7
97.02881	2.6
97.06545	1.4
99.04568	0.8
105.07033	1.8
107.04965	2.1
107.08601	2.7
109.02897	1.0
109.10160	1.7
113.38454	0.7
117.07016	1.1
119.08622	1.1
121.10144	2.0
127.03910	1.2
131.08618	1.4
133.10103	1.3
135.11705	1.2
147.11754	0.9
149.13303	1.8
151.07510	0.7
159.11745	1.6
170.07190	0.7
185.04260	0.7
195.13864	1.5
207.09213	1.0
227.10527	0.7
235.13022	1.7
243.08484	1.5
269.17563	1.4
453.20987	14.0
453.26776	1.2
494.98279	0.7
503.13052	0.9
665.35089	100.0
666.35345	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	666.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.07077	3.2
66.52335	1.1
67.05496	4.8
69.03431	47.2
69.07066	5.5
71.04989	2.9
71.49052	1.7
73.58389	1.0
75.75478	1.2
79.05479	4.7
81.03422	1.5
81.07053	8.6
81.93728	1.1
83.04976	3.6
83.08611	2.4
85.02898	3.5
85.06544	4.1
91.05450	4.1
93.07043	9.0
95.08606	10.9
97.06531	3.9
105.07051	5.8
107.04958	5.5
107.08595	15.7
109.06503	6.4
109.10139	3.8
111.08069	2.8
117.06994	1.6
119.08581	4.6
121.06490	2.8
121.10146	18.0
123.08054	3.9
123.08955	1.2
123.11693	8.5
125.09631	22.6
131.03471	1.3
131.08589	6.2
133.10094	7.8
135.08063	13.0
135.11668	8.3
137.09624	1.3
143.08569	2.7
145.10112	4.0
147.11681	3.6
149.09648	12.5
149.13263	2.6
151.11171	2.5
153.09119	7.5
158.10883	3.4
161.44014	1.1
163.11169	2.6
163.14847	5.3
165.12772	3.4
167.10657	4.1
173.13258	23.2
191.14310	81.6
209.15370	100.0
234.05679	1.2
377.45502	1.2
577.39960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.05510	22.6
55.95738	2.9
57.03414	3.8
57.07070	13.0
67.05505	71.4
69.07071	23.6
71.05004	4.3
71.08635	6.4
76.87478	2.9
79.05488	31.6
81.07059	70.4
83.04965	7.0
83.08621	15.8
88.98798	2.8
91.05483	27.7
93.07043	42.2
95.04969	6.3
95.08617	42.2
97.06513	8.2
99.08099	4.8
99.95902	3.2
105.07051	13.8
107.08588	23.5
109.06512	3.9
109.10142	17.9
111.08068	6.4
117.06998	7.4
119.08585	11.0
121.10157	11.4
123.11729	7.7
131.08571	8.2
133.10141	9.6
135.11717	10.1
137.13301	4.3
147.11685	6.4
149.13269	11.8
151.11220	7.5
156.89403	2.9
157.75836	3.0
159.11626	6.2
161.13235	5.6
163.14836	3.0
195.13852	7.2
215.87692	3.3
219.33684	2.8
224.87228	2.6
263.23642	3.6
269.17407	13.5
277.21671	7.5
307.50659	2.8
313.24561	2.7
328.08191	6.6
329.08456	4.4
337.27451	40.5
351.25293	7.4
363.97339	3.2
384.14185	4.1
385.14722	8.0
436.76874	3.0
441.20685	5.7
497.26819	4.8
498.27417	5.9
531.40515	100.0
553.33478	8.4
554.33734	11.4
610.39636	10.7
613.47864	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	667.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
53.16035	1.6
53.32061	1.7
55.01872	3.4
55.05277	1.9
55.05514	12.8
57.03432	4.4
57.07080	7.9
59.04991	1.8
67.05508	16.8
69.03424	5.5
69.07072	48.4
70.06588	7.4
71.02835	4.9
71.04999	4.2
71.08634	4.3
79.05499	12.2
81.03416	3.4
81.07058	47.3
83.04996	2.6
83.08620	23.4
84.08143	3.3
85.02914	10.8
85.06541	3.3
86.09684	2.3
91.05470	10.7
93.07049	96.7
95.04987	19.4
95.08613	42.1
97.02883	2.6
97.06528	7.2
97.10161	5.4
105.07044	13.3
107.04946	12.9
107.08601	25.3
109.06512	4.4
109.10159	25.3
111.08082	14.9
111.11717	5.2
117.07038	2.5
119.08563	10.0
121.06493	2.4
121.10145	28.8
123.08074	2.8
123.11728	20.9
125.09648	5.0
127.03914	2.2
127.07617	1.8
129.07005	1.7
131.04950	2.6
131.08545	4.8
133.10143	7.9
135.11688	8.2
137.13237	3.7
139.11169	4.2
145.10107	7.6
147.11696	7.3
149.09639	3.6
149.13268	16.8
151.11128	2.8
159.11705	7.2
161.13271	6.5
163.14836	5.0
167.14319	4.7
173.13226	2.0
175.14861	3.6
177.12697	2.2
177.16402	3.7
185.15393	5.7
187.14806	1.6
189.16402	2.5
191.17946	1.8
201.16486	1.8
209.18977	5.2
214.17929	2.2
215.17854	4.1
217.19522	2.6
261.25858	1.7
271.24274	13.6
289.25287	24.6
295.26346	15.3
295.87070	1.7
307.26331	100.0
308.26309	1.8
325.27383	42.2
343.28448	3.8
347.78546	1.8
358.80774	1.9
381.59302	1.8
667.38110	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	668.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27682	0.3
52.41161	0.3
53.03950	1.7
55.01863	0.9
55.05243	0.5
55.05510	8.3
56.05033	3.7
57.03427	0.5
57.07072	3.6
58.06590	0.9
59.85011	0.3
60.04256	0.3
60.04520	2.5
61.02925	0.6
65.03934	0.7
67.04241	0.6
67.05505	13.8
68.05014	1.2
69.03430	2.9
69.07069	7.4
70.06596	2.2
71.04985	0.4
71.08611	1.2
71.09992	0.6
73.98828	0.3
76.03971	0.3
78.92221	0.3
79.05492	12.0
80.05019	3.6
81.03405	1.3
81.05802	1.7
81.07056	12.3
82.06576	8.2
83.05008	0.5
83.08616	4.7
84.08142	0.5
85.02907	5.1
85.10175	0.7
91.05481	10.6
93.05781	0.7
93.07047	12.1
94.06568	22.0
95.04957	1.1
95.07348	10.0
95.08604	9.6
96.08128	6.9
97.02900	2.1
97.10176	3.2
100.07601	0.6
105.04488	0.3
105.06397	0.6
105.07030	6.3
106.06559	0.4
107.07339	0.6
107.08587	5.5
108.08131	3.2
109.02879	0.6
109.06550	0.4
109.10156	4.1
109.53673	0.3
110.09618	0.4
111.08095	0.4
111.11701	0.8
114.80860	0.3
117.07006	0.6
119.08588	6.8
120.08129	0.5
121.08874	0.5
121.09275	0.4
121.10149	5.8
122.09669	2.2
122.25488	0.3
122.47569	0.3
123.11743	2.3
124.11235	0.6
127.03906	1.0
131.08600	0.4
133.10130	4.6
134.09660	0.6
135.10437	0.9
135.11682	3.6
136.11230	0.7
137.13243	0.4
147.11688	1.8
149.13239	0.8
154.15918	0.3
161.13251	1.0
163.14836	0.6
165.16417	0.3
175.14804	0.8
189.16364	0.5
191.17882	0.4
205.19542	3.6
206.19043	0.6
217.19533	5.0
219.21043	1.8
220.20604	0.4
222.22168	5.1
231.21169	1.1
232.20692	0.3
234.22163	100.0
235.20528	0.3
235.22638	1.4
236.23640	1.9
237.22116	0.4
248.23743	22.6
252.23227	5.3
254.24814	1.3
258.24292	1.2
262.25284	1.3
266.24774	1.2
272.25812	4.5
282.24286	0.4
312.25293	0.7
314.26987	0.5
414.28705	0.7
476.44568	4.1
488.44635	25.6
489.44415	0.4
490.39087	0.5
490.46173	8.8
506.45700	6.1
668.51544	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	669.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05502	1.5
57.07079	1.1
59.26529	0.5
60.04517	0.6
67.05495	2.9
69.03419	1.2
69.07072	5.1
70.02939	1.5
70.06584	1.5
71.04980	1.3
71.08612	0.9
71.48053	0.8
71.48454	0.6
74.02448	0.9
79.05505	3.2
81.03414	1.2
81.07055	7.2
83.08620	2.3
84.04500	0.6
84.08161	0.7
85.02897	3.2
85.06542	0.7
85.60123	0.5
86.09703	0.8
87.00854	0.6
88.03992	10.6
89.06004	0.6
91.05490	3.1
93.07047	4.6
94.06569	10.9
95.04972	2.1
95.08601	8.4
97.02888	1.5
97.06544	0.7
97.10164	1.2
103.05479	1.7
104.03439	3.0
105.04492	0.8
105.07035	3.2
107.04956	100.0
107.08594	3.9
108.05286	1.6
109.02887	0.7
109.10176	5.6
111.08073	1.6
111.11713	1.0
119.08583	1.8
120.04493	1.2
120.08086	1.1
121.06513	0.7
121.10128	3.4
123.11687	3.0
125.13200	0.8
127.03956	0.9
131.04887	4.0
131.08559	0.6
133.10117	2.6
135.11708	2.5
136.07556	1.0
137.05998	2.3
137.13266	1.3
142.39876	0.6
143.08658	0.7
145.06566	0.6
145.10075	0.6
146.04845	1.2
146.06006	21.2
147.04410	0.8
147.11729	2.6
149.13269	2.9
150.05486	1.3
151.14803	0.8
156.02968	1.2
161.13281	1.3
163.14883	1.0
167.07115	0.9
174.03999	5.0
174.05547	11.1
175.07510	0.9
175.28416	0.6
192.06575	2.1
200.10747	0.7
202.03465	5.0
217.19583	0.8
248.96468	0.6
265.08527	0.7
273.25830	2.6
277.08206	4.7
279.26813	0.9
291.26791	4.4
295.09262	33.0
296.09671	0.7
309.27829	3.9
339.12265	2.3
351.12384	0.7
365.10284	0.8
669.35657	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	669.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
55.01874	0.4
55.05511	0.4
60.01349	0.3
60.48133	0.3
65.03935	0.7
66.04739	0.8
67.05497	0.9
69.03423	0.5
69.07067	0.9
70.06593	0.5
70.83044	0.7
79.05494	1.5
81.03415	0.4
81.07061	1.8
83.08624	0.3
84.08149	0.3
85.02917	0.5
86.09717	0.5
91.05489	4.2
93.03428	0.3
93.07047	1.1
94.04185	3.8
95.04957	1.0
95.08612	0.9
97.06548	0.7
102.30670	0.3
103.05472	2.0
105.07030	1.1
107.04964	3.0
107.08609	1.0
109.02883	0.5
109.06532	1.2
109.10159	0.9
109.61946	0.3
111.04439	0.6
115.05456	0.8
117.07032	0.7
119.04942	1.8
119.08598	0.9
121.06509	1.1
121.10155	0.6
122.03658	8.3
127.03912	0.5
128.06184	0.7
129.00877	0.3
129.07021	0.5
131.04955	2.8
131.08568	0.5
133.06502	0.7
137.05986	100.0
138.06348	0.6
141.06976	0.7
143.04959	0.5
143.08549	0.5
144.05777	0.4
145.06522	0.6
145.10149	0.4
146.03711	0.4
147.04454	1.0
149.06012	1.7
151.03984	0.4
151.07535	5.7
152.06281	0.5
153.05592	0.3
153.07010	1.2
155.08557	0.7
158.07289	0.4
159.08054	0.9
160.05273	0.4
161.06024	2.4
163.07552	4.4
165.06973	2.4
166.07832	0.6
167.07172	0.5
167.08594	1.9
167.94478	0.3
169.06425	0.7
171.08101	0.8
172.05089	0.3
173.05978	0.3
175.07629	1.6
177.05481	1.0
177.06963	0.4
177.09178	0.6
179.07060	0.6
179.08554	0.4
181.06473	2.6
182.07275	0.9
183.08081	1.1
184.05188	0.4
185.05980	0.5
187.07565	3.1
189.09120	0.8
193.06511	1.7
194.07251	0.5
195.08063	1.6
197.06026	0.4
197.09616	0.8
198.06731	0.6
199.07541	1.3
199.09291	0.3
201.09123	1.3
201.16478	0.3
202.07843	0.3
203.10742	0.5
207.08044	0.5
209.06035	0.4
209.09624	0.4
210.06818	1.7
211.07462	1.5
212.08333	0.5
213.09047	2.4
215.07091	0.7
215.10606	1.5
218.07158	0.3
219.08173	0.7
221.06001	2.1
222.06660	0.5
223.07581	0.9
224.08334	0.6
225.09154	2.9
227.07100	0.7
227.10616	1.8
229.08513	2.0
231.08092	0.4
231.10097	0.6
235.07475	0.6
237.09200	0.5
238.06245	0.9
239.06827	0.4
239.10837	0.4
240.07887	0.3
241.08630	1.4
243.10229	1.1
249.09023	0.3
251.10753	0.4
252.07806	0.8
253.08551	2.8
255.10243	1.9
257.09729	0.6
259.09671	0.7
263.10706	0.4
265.08725	0.7
267.10168	2.5
273.11234	0.4
275.10852	0.3
276.08044	0.4
277.08643	0.5
279.10132	1.1
283.09802	0.7
285.11264	10.4
287.10504	0.3
287.12958	2.7
289.12222	0.5
291.10284	0.9
296.10712	0.3
297.11383	1.3
302.09500	0.4
303.10159	0.8
305.08142	0.4
305.11749	0.6
307.09946	0.4
308.10529	0.4
311.12729	1.5
313.14459	0.4
315.10071	0.4
316.10709	0.4
317.11749	1.6
319.09720	0.4
321.11307	0.8
323.12799	0.8
327.10239	0.4
329.11642	0.5
333.11044	0.5
335.12735	1.0
337.14435	1.4
339.16055	0.5
347.13058	0.6
349.14398	2.5
351.16019	0.4
353.13913	1.4
359.12772	0.4
361.14435	0.9
365.14005	0.6
367.15411	2.8
379.15292	1.5
383.14896	1.1
397.16379	1.7
407.14871	0.5
419.14380	0.3
431.14880	0.9
442.14148	0.3
461.15970	0.3
465.16452	0.3
469.17050	0.4
471.18161	0.5
483.18066	0.8
485.19193	0.5
497.19534	1.4
501.19156	0.8
503.20834	0.5
509.19675	0.4
513.19659	0.5
514.20215	0.4
515.20172	1.7
527.20758	1.1
533.22076	0.5
545.16101	0.6
563.16840	0.5
566.19415	0.3
578.19336	1.1
596.20850	0.9
599.74536	0.4
621.24847	1.7
623.22241	0.3
633.24731	1.5
639.25623	0.5
651.26007	4.7
669.26764	0.9
669.37354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01873	5.2
55.05512	26.3
57.07071	15.3
59.04973	3.7
67.05503	38.4
69.03418	14.4
69.07074	48.4
69.43808	6.9
69.44218	21.8
70.06574	8.6
71.04976	3.9
71.08624	8.9
76.53420	3.5
79.05502	27.5
81.03413	7.6
81.07059	96.0
83.08624	27.2
85.02912	25.1
85.06556	5.9
85.10186	5.7
91.05500	22.6
93.07050	56.0
95.04984	6.2
95.08614	100.0
96.37910	3.7
97.02875	7.3
97.10203	17.5
103.05473	11.1
105.07030	34.0
107.04951	45.5
107.08595	44.2
107.56264	3.6
108.05299	3.8
109.02879	5.2
109.06520	4.9
109.10172	50.9
111.08078	7.3
111.11704	9.1
119.08578	20.1
121.06483	5.9
121.10134	37.9
123.11703	28.8
127.03934	7.6
127.11209	5.8
131.04930	17.5
131.08586	5.4
133.10123	29.5
135.11717	31.0
137.06017	13.4
137.09607	6.3
137.13281	17.7
139.11176	8.3
145.05003	6.4
145.10191	4.8
147.11688	26.5
149.13258	18.1
151.11212	4.9
151.14865	8.7
153.12828	6.0
155.10687	5.9
161.13260	15.4
163.07668	3.8
163.14815	12.3
165.12761	11.7
175.14946	4.3
177.16386	4.8
180.12228	3.4
189.16386	7.9
191.17888	9.2
203.17960	5.6
205.19501	5.3
217.19539	16.2
243.10126	3.8
247.24284	4.7
273.25793	45.1
279.26962	6.4
291.26932	34.7
309.27850	24.1
327.28888	5.2
338.09924	4.6
345.29462	3.6
532.20123	4.5
572.67761	3.8
669.37848	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76093	0.4
56.96566	16.7
69.03417	1.1
70.19971	1.8
71.95238	0.9
84.96038	6.8
85.02878	1.7
97.02869	1.0
97.96793	0.6
98.97588	51.2
102.97060	0.9
107.04224	0.7
107.04961	20.1
110.97572	25.5
112.99138	3.6
116.98631	16.1
124.99104	1.9
128.98610	21.5
131.00188	2.3
134.99677	2.6
136.06125	0.5
136.99055	0.4
140.98579	2.8
143.00171	7.5
144.98088	1.9
145.04921	0.6
146.99640	6.3
149.01192	0.9
152.12227	0.4
152.98604	5.5
155.00122	1.4
158.99660	8.2
160.23491	0.4
161.01241	6.1
162.99258	1.0
163.00681	1.8
170.99663	11.2
173.01233	1.2
174.99052	0.5
177.00710	5.9
179.02272	0.8
181.01727	3.5
182.99704	0.8
185.46153	0.5
189.00697	5.5
194.99637	0.7
199.02707	0.8
201.00691	7.7
205.01790	2.5
205.03369	0.5
207.01715	0.7
209.01195	1.9
213.00688	0.7
217.01735	1.2
219.01772	58.0
223.02777	2.7
235.02789	2.5
237.02821	67.3
238.03201	0.5
242.03326	0.9
247.02943	0.6
249.04436	0.5
253.03819	0.8
255.03958	2.4
259.02719	0.8
260.04453	1.3
261.02847	0.5
265.03925	1.2
277.03775	0.8
287.05429	0.9
307.04865	7.1
319.07321	0.5
325.05948	57.8
326.06351	1.2
343.07007	9.6
361.02420	0.5
363.05994	1.1
365.06641	0.6
385.08078	100.0
386.08438	1.8
397.06812	0.5
487.11212	0.9
611.16388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03952	1.2
55.01867	0.2
63.90946	0.1
69.03429	0.4
70.00143	0.2
70.06583	1.0
71.48567	0.3
77.03922	0.3
79.05505	1.1
81.03410	0.3
84.08101	0.2
85.02911	0.9
86.09712	0.5
91.05486	0.5
95.04990	0.9
97.02899	0.5
105.04529	0.5
105.07024	0.6
107.04956	100.0
108.05280	0.9
109.02896	0.2
119.04956	0.6
127.03911	0.3
131.04965	0.6
133.06482	0.9
137.06013	1.4
145.04938	0.2
147.04366	0.9
149.05981	0.3
155.07039	0.6
159.04454	0.3
161.05927	1.0
167.07112	0.2
175.03899	1.2
177.05470	1.1
180.08778	0.3
181.05008	0.4
187.20216	0.2
191.07005	0.9
192.04204	0.3
207.06538	3.6
218.08203	0.2
219.06621	0.2
225.07600	1.3
237.07590	6.2
265.73495	0.2
294.38013	0.2
313.10834	0.6
366.14215	0.2
404.56195	0.2
459.30527	0.2
632.14386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
62.87717	0.8
67.05496	3.9
69.03419	4.6
69.07070	7.0
70.06580	4.1
71.04977	1.3
71.47874	1.4
72.08152	1.9
73.02919	1.3
73.10915	0.9
79.05491	3.1
81.03419	5.8
81.07063	6.6
82.06520	1.3
83.04982	0.9
83.08608	4.8
84.08128	2.0
84.61155	0.9
85.02905	5.0
86.06069	14.0
87.00813	2.6
91.03928	1.0
91.05491	1.5
93.07051	5.0
95.04987	1.8
95.08607	3.0
96.08133	11.0
97.02900	3.8
97.06542	1.4
97.10142	1.0
98.06050	3.9
98.09708	1.6
99.04461	3.1
105.01867	1.2
105.07055	1.6
107.04951	5.0
107.08636	4.5
108.08085	2.1
109.02879	3.8
109.06528	1.8
109.10143	1.7
110.09691	2.7
116.10727	5.3
121.10181	1.5
122.09738	1.3
123.11666	1.2
124.07591	3.0
124.11225	2.2
126.09135	1.7
127.03892	3.8
133.10107	1.0
136.11206	1.9
137.06004	1.9
142.08633	15.8
149.13232	1.7
151.11200	2.7
154.12279	3.5
159.02931	1.8
166.15930	9.7
169.12239	3.0
176.14355	0.9
194.15494	1.8
210.18587	2.6
212.16454	86.4
213.16681	1.1
238.18018	43.5
256.19070	100.0
257.17255	4.5
268.76663	1.0
363.25403	2.0
377.23077	1.0
406.29654	3.2
424.30542	48.8
454.39731	1.0
460.21741	3.6
504.24576	6.2
628.37067	7.2
651.27686	1.0
672.35895	19.4
673.35889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28399	0.7
52.44063	0.7
55.01871	1.3
55.05507	3.4
57.03426	1.6
61.02925	0.9
67.05505	3.2
69.03432	5.4
69.07069	7.6
70.06594	1.7
70.09553	1.3
70.09933	1.5
71.04996	1.1
72.08118	1.1
73.02913	1.2
74.44149	0.6
79.05474	2.6
81.03418	6.2
81.07070	6.0
82.06579	1.7
83.04988	1.1
83.08602	2.9
84.04498	0.9
84.08141	1.9
85.02921	6.3
85.06522	1.6
86.05605	1.0
86.06078	11.0
86.09695	1.4
87.00809	1.8
87.04478	0.9
91.05444	1.6
93.07059	4.0
95.04963	1.1
95.08606	2.3
96.08133	8.9
97.02891	3.2
97.06524	1.9
97.10147	1.1
98.06046	3.9
98.09690	1.8
99.04464	4.0
103.05455	0.9
105.01927	0.9
105.07008	1.7
106.77134	0.6
107.04971	7.8
107.08620	3.8
108.05269	1.1
108.08121	2.0
109.02885	4.3
109.06488	1.7
109.10146	2.3
110.09682	2.9
111.08064	0.8
112.07594	1.3
113.15173	0.7
116.10729	5.8
119.04958	0.9
119.08552	1.6
121.10131	2.3
122.09676	1.6
123.07980	0.8
123.11698	1.2
124.07582	3.4
124.11260	1.5
126.09153	0.8
127.03916	4.7
131.04915	2.3
131.08589	0.9
133.10103	1.1
134.09691	0.8
136.11201	0.7
137.05988	1.1
138.09120	1.5
142.08633	10.8
145.04980	1.0
147.11620	1.0
149.13245	3.0
151.11168	2.4
152.10738	1.3
154.12279	2.1
159.02930	1.6
159.11726	1.1
163.56154	0.7
166.15929	7.1
169.12234	2.8
174.12752	0.7
194.15399	3.0
204.06584	0.7
210.18503	2.2
212.16469	74.5
213.16776	0.8
238.18025	37.8
239.07207	0.7
243.11298	1.4
255.10222	2.0
256.19083	100.0
257.17316	4.2
257.19778	1.2
271.06198	0.9
285.12354	1.9
310.23883	1.5
317.15109	1.5
328.24918	1.2
348.13596	1.7
360.15955	1.8
363.25314	2.4
364.24692	0.9
400.22195	0.7
406.29446	3.3
416.22852	2.2
424.30615	41.6
425.30814	1.1
460.21735	7.6
492.20187	1.6
504.24442	5.9
623.19788	0.8
628.37091	6.5
672.36053	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	672.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
53.12028	1.5
53.81865	1.6
55.01861	2.6
55.05519	12.0
57.03423	5.0
61.84824	1.5
65.03922	2.6
67.05506	34.5
69.03418	3.2
69.07066	12.8
69.83435	7.5
71.04977	2.8
79.05497	40.2
81.03410	6.1
81.07061	37.1
82.54208	1.5
83.04974	6.3
83.08604	5.4
85.02896	2.6
85.06538	2.5
86.06047	6.1
86.09689	1.7
91.05485	25.0
93.07050	46.6
95.04969	7.4
95.08151	1.4
95.08609	14.8
96.08127	5.2
96.13019	1.5
97.02827	2.4
97.06547	8.1
97.10159	1.5
98.06042	2.1
98.21471	1.6
99.04442	2.4
100.87057	1.9
101.38314	1.5
105.06417	1.6
105.07041	16.5
107.04927	3.0
107.08589	17.2
108.08137	1.8
109.02866	1.8
109.06553	3.2
109.10155	3.4
110.09672	1.7
111.08027	1.7
112.07616	1.7
116.10703	3.0
117.07018	5.0
119.08598	8.4
121.06525	1.9
121.10158	7.4
123.08037	3.2
123.11753	2.0
123.32040	1.8
124.07522	2.2
128.06187	1.6
129.06989	6.3
131.08539	3.9
133.10114	4.9
135.11713	4.0
142.08636	6.0
143.08585	3.5
145.10120	4.4
147.11697	12.9
148.08757	1.7
149.13257	13.7
151.11253	2.9
159.11717	4.5
161.13303	3.8
166.15880	4.5
169.12436	1.7
171.11674	9.8
189.12720	3.5
194.15414	1.6
195.13847	3.6
207.13844	9.2
212.16464	47.5
238.18011	24.5
256.19095	50.0
257.17435	2.3
269.17493	29.5
281.17477	24.2
291.25003	1.6
424.25412	1.6
424.30634	25.2
475.30560	100.0
476.30826	3.8
504.24036	2.9
628.36517	4.8
672.25226	1.8
672.36035	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
57.03436	4.3
57.07080	39.0
61.02931	15.5
67.05183	0.8
67.05511	11.9
69.03424	1.8
69.07069	8.0
70.00724	1.9
71.04977	0.7
71.08636	32.4
73.02924	5.7
73.06524	0.6
75.04469	2.3
79.05490	1.0
79.16878	0.6
81.03413	1.1
81.07056	15.2
83.08160	0.9
83.08622	12.6
83.71765	0.5
85.02911	17.8
85.06531	0.8
85.10186	19.5
89.06037	0.8
91.03423	1.2
91.03964	14.3
91.05495	0.7
93.07036	1.3
95.08616	25.5
97.02889	9.3
97.10178	6.3
98.20763	1.1
99.04441	1.3
99.11736	1.2
103.03928	0.6
103.07597	0.8
107.08597	0.6
109.02879	0.5
109.10166	11.4
111.11737	1.7
113.13317	0.7
121.10110	0.7
123.11707	5.4
125.13243	1.3
127.03920	4.6
129.06999	0.5
137.13239	2.5
145.04979	8.2
151.14844	0.9
163.06029	11.7
221.22649	1.2
239.23705	25.5
239.26152	1.3
257.24707	4.7
313.27374	100.0
314.27695	1.8
331.28424	35.1
332.28983	0.7
380.61667	0.6
456.83801	0.6
475.32611	1.0
549.65826	0.8
672.41425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
57.07079	31.0
67.05493	1.4
69.03423	1.0
69.07066	5.0
71.08636	29.2
73.02924	1.4
73.06557	8.3
81.03410	0.8
81.07058	2.4
83.04987	0.7
83.08604	4.6
85.09674	0.8
85.10189	16.4
87.04475	8.4
89.06034	100.0
91.05513	1.0
91.07587	0.9
93.07026	1.8
95.04948	0.8
95.08620	1.9
96.67932	0.9
97.10162	5.1
99.11752	3.0
107.07099	1.5
107.08620	1.1
111.11736	2.2
113.13278	2.4
115.32357	0.7
117.09139	6.5
125.13280	1.7
127.14866	2.0
130.08661	2.2
131.07051	2.6
133.08614	47.2
135.10217	0.8
141.16400	0.8
161.11745	1.3
167.90900	0.7
175.09628	1.0
177.11229	19.4
177.12708	1.2
178.95840	0.8
188.05965	0.7
197.22514	1.7
221.13930	3.4
241.25322	1.4
265.16650	1.8
283.17560	1.3
285.27795	4.7
288.22849	0.7
309.19098	0.9
329.30484	4.1
372.09357	0.9
443.40781	0.9
459.27933	2.9
473.20306	0.8
655.50159	3.7
660.44348	0.9
672.52667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.1
55.01870	5.5
55.05518	28.8
57.03451	10.0
57.07074	4.7
59.71293	2.2
62.42467	2.2
65.03944	7.3
67.05508	84.6
69.03435	44.0
69.07069	27.8
71.01364	2.2
71.04993	5.8
71.48704	2.0
78.12050	1.9
79.05496	72.0
81.03423	30.0
81.07060	100.0
83.04989	14.4
83.08620	18.6
85.02915	4.0
85.06541	4.6
91.05486	63.3
93.07050	77.7
95.04974	19.3
95.08616	45.2
97.02921	6.2
97.06548	12.6
97.10184	3.5
99.04454	3.7
99.08070	2.8
103.03936	2.5
103.05478	2.0
105.04532	4.7
105.06449	1.8
105.07039	50.6
107.04970	8.3
107.08601	49.6
109.02891	4.4
109.06532	7.2
109.10163	19.3
111.04457	6.5
111.08099	7.6
115.05527	2.5
117.07034	27.9
119.08581	32.6
121.06501	8.7
121.10149	26.3
123.04440	2.7
123.08072	4.8
123.11726	8.6
125.09658	3.3
127.03917	4.1
128.06218	3.3
129.07028	13.1
131.04939	3.1
131.08563	33.0
133.06474	5.1
133.10153	25.7
135.08026	6.0
135.11710	18.6
137.05882	2.2
137.09610	3.5
139.90390	2.0
141.06985	6.0
142.07796	2.9
143.08574	11.2
145.06512	6.4
145.10138	23.0
145.78047	2.2
147.08061	3.7
147.11682	17.3
149.09627	5.7
149.13274	19.9
151.11211	2.6
153.06911	2.5
155.08559	6.4
157.10117	15.1
159.08067	2.8
159.11699	23.1
161.05957	2.0
161.09599	3.3
161.13303	11.4
163.11206	3.7
165.12798	2.6
167.08607	3.5
167.14403	2.2
169.10175	6.1
171.08076	3.3
171.11702	8.9
173.09639	3.0
173.11900	2.2
173.13242	11.9
175.11192	6.3
175.14816	3.8
177.12798	6.7
181.10123	3.4
183.11719	4.9
184.75310	2.0
185.13280	7.4
187.11168	2.9
187.14879	4.2
189.12743	3.0
189.16199	2.1
193.10318	2.2
195.11923	4.7
195.13832	14.2
197.13304	5.5
199.11205	2.8
199.14835	3.4
201.12709	2.7
203.14401	2.5
209.13350	2.6
211.14761	3.5
211.84538	2.2
213.14841	4.0
223.14757	2.8
227.14413	2.1
259.20474	3.1
261.22003	5.0
267.15936	3.4
269.17493	19.4
273.22290	3.0
277.21735	4.6
283.20480	2.0
301.21625	6.1
315.23151	3.7
319.22433	4.0
321.16934	2.5
323.23816	3.5
327.23145	2.6
339.18057	3.8
345.24222	4.2
351.23230	8.0
369.24176	11.3
371.25708	2.6
375.25589	2.9
387.25244	9.7
395.21085	3.1
405.26569	3.7
443.28223	5.7
461.29218	10.2
529.38611	3.5
637.40808	6.9
642.93433	2.0
655.41656	10.3
673.31793	3.4
673.43091	45.5
679.08160	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	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05505	2.5
57.03436	1.2
57.07086	0.5
62.44773	0.4
67.05505	3.5
69.03410	1.3
69.07066	2.3
69.47855	2.6
70.06574	1.5
70.97793	0.4
71.08632	5.7
71.39858	0.4
72.08150	1.3
73.02920	0.4
79.05492	3.3
81.03407	1.6
81.07056	4.5
83.04978	0.6
83.08633	2.3
84.04527	0.5
84.08139	1.3
85.02908	1.4
86.06079	3.2
87.00810	0.9
91.05476	1.2
93.07052	4.5
95.04960	0.5
95.08608	4.1
96.08131	2.5
97.02884	1.1
97.06525	1.4
98.06087	0.8
98.09718	2.2
99.08089	1.8
105.07032	1.2
107.04948	1.9
107.08606	2.6
108.08104	1.5
109.02870	1.3
114.09179	0.5
116.10738	16.1
117.07028	0.6
119.08601	1.4
121.06468	0.6
121.10151	1.8
122.09666	1.3
123.08043	0.5
126.09165	0.7
127.03928	2.2
131.04927	0.5
131.08629	0.5
133.10098	0.7
135.11717	2.8
137.06024	0.6
140.10727	0.6
143.10689	1.5
145.10103	1.7
149.13268	1.5
154.15894	3.2
163.11171	3.6
166.15970	2.8
168.17473	0.8
178.15875	1.4
195.13779	0.5
196.16983	7.2
213.03720	0.5
214.18025	100.0
215.18376	1.7
227.12802	3.4
231.15974	2.1
257.17462	1.0
269.17538	4.1
283.15356	3.1
310.23898	1.1
328.24817	2.9
406.94977	0.4
408.31039	0.5
418.24448	0.7
426.32123	9.8
452.95737	0.5
462.23343	8.2
477.28433	8.3
495.17438	1.3
497.18088	1.0
512.18689	0.5
622.86841	0.5
634.84753	0.5
674.37244	2.8
675.26825	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	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.1
55.05273	3.9
55.05514	46.8
57.03431	6.0
57.07039	2.4
59.05009	3.0
61.02929	3.1
64.26969	2.1
67.05186	2.9
67.05510	37.9
69.03421	9.2
69.07074	14.0
69.35326	2.3
70.03316	5.6
70.03716	4.2
70.06580	4.0
70.26043	2.2
71.04987	3.0
79.05502	35.2
81.00091	2.2
81.03415	6.3
81.07062	27.3
83.04977	4.6
83.08622	28.2
84.08166	4.8
85.02905	10.7
91.05484	40.2
93.07048	16.6
95.04941	6.6
95.08599	10.8
97.02888	5.4
97.06532	4.7
97.10172	57.1
97.91518	2.4
103.05473	16.4
105.07028	28.1
107.04964	35.4
107.08598	24.4
109.02860	5.1
109.06503	3.3
109.10135	9.1
111.08150	6.0
115.05460	9.3
117.07021	44.5
119.08583	16.0
121.06504	6.0
121.10141	6.4
125.09640	46.8
127.03861	6.5
128.06209	2.5
129.07022	20.0
131.04933	7.9
131.08580	28.3
133.06451	8.8
133.10136	4.3
135.08051	6.6
137.05983	4.3
141.06972	10.7
143.08582	10.7
145.06483	9.3
145.10152	11.1
147.08009	4.1
149.09628	3.7
153.09061	4.3
155.08588	11.9
157.10144	3.7
159.08067	4.1
159.11697	2.9
161.06046	2.8
164.07047	2.2
167.07159	4.3
167.08539	4.6
169.10092	5.7
171.10249	4.2
171.11658	3.9
173.13327	4.6
185.13264	5.2
187.11197	3.0
187.14832	8.5
189.11226	24.5
189.12778	3.7
193.08549	2.7
197.13301	13.6
198.18504	3.1
215.14308	52.2
221.12976	2.3
225.12793	3.1
227.12723	15.5
233.15343	12.5
242.37787	2.4
245.13885	10.6
269.08145	3.5
286.65662	2.6
289.17917	8.0
307.19003	2.9
320.76303	2.4
339.23044	4.1
349.21469	4.9
367.22754	22.0
385.23709	25.8
389.18097	7.0
403.24820	8.2
441.26425	19.1
459.27408	100.0
460.27869	2.7
471.34641	2.6
477.28534	44.4
512.18170	4.3
674.38348	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	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.1
55.05273	3.9
55.05514	46.8
57.03431	6.0
57.07039	2.4
59.05009	3.0
61.02929	3.1
64.26969	2.1
67.05186	2.9
67.05510	37.9
69.03421	9.2
69.07074	14.0
69.35326	2.3
70.03316	5.6
70.03716	4.2
70.06580	4.0
70.26043	2.2
71.04987	3.0
79.05502	35.2
81.00091	2.2
81.03415	6.3
81.07062	27.3
83.04977	4.6
83.08622	28.2
84.08166	4.8
85.02905	10.7
91.05484	40.2
93.07048	16.6
95.04941	6.6
95.08599	10.8
97.02888	5.4
97.06532	4.7
97.10172	57.1
97.91518	2.4
103.05473	16.4
105.07028	28.1
107.04964	35.4
107.08598	24.4
109.02860	5.1
109.06503	3.3
109.10135	9.1
111.08150	6.0
115.05460	9.3
117.07021	44.5
119.08583	16.0
121.06504	6.0
121.10141	6.4
125.09640	46.8
127.03861	6.5
128.06209	2.5
129.07022	20.0
131.04933	7.9
131.08580	28.3
133.06451	8.8
133.10136	4.3
135.08051	6.6
137.05983	4.3
141.06972	10.7
143.08582	10.7
145.06483	9.3
145.10152	11.1
147.08009	4.1
149.09628	3.7
153.09061	4.3
155.08588	11.9
157.10144	3.7
159.08067	4.1
159.11697	2.9
161.06046	2.8
164.07047	2.2
167.07159	4.3
167.08539	4.6
169.10092	5.7
171.10249	4.2
171.11658	3.9
173.13327	4.6
185.13264	5.2
187.11197	3.0
187.14832	8.5
189.11226	24.5
189.12778	3.7
193.08549	2.7
197.13301	13.6
198.18504	3.1
215.14308	52.2
221.12976	2.3
225.12793	3.1
227.12723	15.5
233.15343	12.5
242.37787	2.4
245.13885	10.6
269.08145	3.5
286.65662	2.6
289.17917	8.0
307.19003	2.9
320.76303	2.4
339.23044	4.1
349.21469	4.9
367.22754	22.0
385.23709	25.8
389.18097	7.0
403.24820	8.2
441.26425	19.1
459.27408	100.0
460.27869	2.7
471.34641	2.6
477.28534	44.4
512.18170	4.3
674.38348	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	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01877	1.2
55.05510	6.9
56.05022	0.6
57.03424	1.2
57.07060	1.5
58.33657	0.7
61.02927	1.3
62.06077	1.6
67.05511	4.8
68.07749	0.7
68.99785	1.2
69.03101	0.6
69.03439	9.7
69.06729	0.9
69.07074	8.8
69.07437	1.2
70.06584	2.9
70.72468	1.8
71.01324	0.8
71.04978	1.5
71.08634	10.8
72.08159	4.8
73.02900	2.1
79.05485	3.5
81.03421	7.7
81.07067	7.8
83.05000	1.1
83.08619	7.0
83.46698	0.6
84.08137	3.0
85.02908	7.4
86.06071	29.2
87.00829	2.6
87.04460	0.6
88.81298	0.6
91.05491	1.8
93.07043	5.0
94.06574	1.0
95.04942	1.2
95.08173	0.6
95.08624	5.9
96.08141	3.8
96.08623	0.6
97.02905	4.4
97.06531	1.9
97.10196	1.3
98.06065	2.5
98.09110	1.1
98.09699	13.1
99.04486	3.4
99.08099	9.4
100.07593	0.9
103.03954	0.9
103.05455	1.5
105.01859	0.9
105.07050	2.1
107.04939	2.2
107.08607	3.4
108.08113	3.3
109.02885	9.5
109.06519	0.8
109.10150	1.6
110.09695	1.5
111.08098	1.5
112.07631	0.6
114.09155	1.5
116.10737	78.0
117.07008	0.8
121.10125	2.4
122.09679	4.9
123.11650	0.9
124.07594	2.1
126.09188	1.4
127.03925	13.8
131.04927	2.7
136.11255	1.2
138.09158	1.2
140.10690	2.3
142.12274	1.7
143.10667	2.6
145.04948	2.2
147.02930	0.9
149.13275	5.3
152.10670	0.7
154.15929	1.0
159.03027	1.0
159.11691	1.1
163.07468	0.7
166.15913	1.6
167.14334	1.5
178.15881	1.1
187.06018	0.8
192.84758	0.7
196.16980	3.7
213.03929	2.2
214.18031	42.7
231.05054	2.8
231.15906	2.4
238.18077	1.3
239.16438	2.7
246.22261	0.9
257.17529	6.7
264.23163	1.2
268.22766	0.9
269.17499	1.1
274.21628	1.4
280.22668	1.6
283.15445	0.9
285.13287	0.9
292.22693	4.6
303.14410	1.2
310.23773	23.3
328.24832	100.0
329.12338	2.6
329.25137	2.5
347.13327	2.3
376.23526	0.8
408.30872	2.8
418.24481	1.8
426.32162	17.2
462.23294	12.0
463.30292	0.9
477.28458	1.4
490.30063	1.9
497.18002	0.8
532.31317	6.3
558.28851	2.9
576.30170	67.5
577.30066	1.5
610.04584	0.7
630.38318	2.3
674.26074	1.1
674.37408	13.2
675.26666	4.4
675.36407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05504	3.1
56.97849	1.0
57.03420	1.0
57.07078	32.4
59.05014	0.9
67.05505	2.1
68.75606	0.9
69.03409	1.1
69.07056	2.9
70.88169	2.1
71.08636	23.2
73.06558	9.4
79.05486	1.6
81.07058	3.9
83.08622	3.2
85.10188	17.2
87.04477	8.4
89.06032	100.0
91.05457	2.3
93.07038	2.8
95.08610	2.2
97.10154	5.2
99.11732	4.0
105.07042	2.2
107.07071	1.5
107.08607	1.8
109.10190	1.1
113.13268	1.4
117.09131	7.7
119.08593	1.2
121.10146	1.5
123.08067	1.0
130.08644	0.9
131.07051	2.4
133.08607	50.6
135.10172	1.3
143.08598	0.9
145.10074	1.6
147.11685	1.8
151.84929	0.9
155.17941	3.9
161.11713	2.4
175.09633	1.9
177.11227	19.1
177.39413	0.9
199.20584	3.9
217.14287	1.8
221.13875	3.2
239.15004	1.0
243.23187	6.8
277.53802	0.9
283.17435	1.1
287.25815	3.3
335.25824	2.0
477.35663	1.2
495.90079	1.0
503.30569	1.5
534.70111	0.9
608.18762	1.0
657.47711	2.1
674.50311	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46455	0.4
61.02917	0.7
67.05482	1.6
67.05813	0.5
69.03419	0.6
69.79577	1.3
69.79973	0.9
71.52485	0.4
79.05490	1.1
81.03448	0.8
81.07048	1.4
83.08593	0.6
85.02906	1.3
91.05486	1.4
93.07059	0.9
95.08540	0.6
97.02912	0.5
97.06554	0.5
98.21438	0.5
105.07034	0.6
107.04955	1.7
107.08588	0.7
109.10152	0.9
119.08595	1.1
121.10159	0.5
123.90482	0.5
137.05960	0.6
137.09613	0.6
145.10202	0.6
147.11711	0.5
165.09096	1.2
171.11739	0.5
199.35655	0.5
218.48280	0.5
230.87762	0.5
235.32352	0.5
242.68935	0.5
251.86778	0.5
264.22617	0.5
277.21701	0.8
309.37741	0.6
334.58881	0.6
351.25388	0.7
408.31177	0.8
429.15961	0.7
445.18951	0.7
453.15750	0.6
454.16977	1.0
457.14560	0.5
467.18298	0.8
468.14145	2.6
469.14795	7.5
470.15936	1.9
471.16476	0.9
480.14194	1.0
481.14975	3.0
482.15918	9.5
483.16736	9.6
484.17441	2.2
485.18222	1.4
495.16708	3.6
496.17413	6.4
497.18259	37.1
498.19147	3.5
510.19016	1.8
511.19574	4.8
512.20410	1.5
515.19739	1.0
528.16479	1.8
538.19269	0.7
542.18170	2.5
555.18652	3.8
556.19379	3.6
557.20172	2.9
573.22443	0.9
616.21649	1.1
617.22015	0.7
643.24030	6.9
644.24512	6.1
645.24402	0.7
657.25641	5.6
660.24298	1.0
675.26630	100.0
676.26733	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	675.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.2
60.04534	0.9
67.05477	1.4
68.05003	0.9
69.03423	3.2
70.06593	2.7
70.61000	2.4
73.19447	0.8
80.05003	1.7
81.03419	2.9
82.06567	2.4
83.05002	1.3
84.04511	12.2
84.08147	100.0
85.02898	1.0
86.09721	1.3
96.04498	16.4
96.05109	0.8
97.02913	2.9
98.06066	8.3
101.10792	3.1
102.05556	3.1
107.04960	2.9
108.04481	0.9
109.02876	5.1
110.06071	1.4
111.09174	1.0
116.07098	6.6
126.05529	18.3
127.03925	2.2
129.10246	77.2
130.05028	2.6
130.08662	1.3
130.22452	0.7
131.59969	0.8
132.08043	0.8
136.48599	0.8
138.05507	90.9
144.06569	20.4
147.11278	1.6
149.10751	2.1
167.11815	4.1
168.06575	14.1
177.10277	1.2
179.04948	1.7
184.09583	0.8
186.07643	14.8
186.09167	1.5
188.07094	1.4
188.09079	0.8
191.11743	1.3
195.11293	18.5
201.12314	6.7
205.09753	0.9
218.15012	30.8
223.10809	1.2
230.10262	1.4
240.13443	4.9
241.11850	0.9
250.43657	0.8
258.09793	2.4
258.14508	17.8
284.15979	1.3
301.13989	9.1
329.13528	5.1
329.18124	2.7
347.19214	9.4
383.19324	2.0
401.20264	5.5
490.25131	14.6
586.26892	1.7
657.31085	1.6
675.31952	71.3
676.32129	3.5
699.03638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00447	5.6
53.03938	6.0
55.01869	6.5
55.05506	15.0
57.03423	10.2
61.02927	29.3
67.05507	39.5
69.03427	10.5
69.07054	19.6
70.06593	7.5
73.02895	7.1
75.12237	4.9
79.05486	46.5
81.03392	9.3
81.07062	50.4
83.08604	5.7
85.02905	30.8
85.06544	6.1
91.03939	14.6
91.05484	48.4
93.07051	52.7
95.04949	8.0
95.08601	34.4
97.02904	14.8
97.06567	7.6
98.20824	14.3
99.04430	9.2
103.05455	7.1
105.07040	44.3
107.04966	33.4
107.08592	33.7
109.10136	15.4
117.07025	14.4
119.08582	40.3
121.10158	28.4
124.07579	17.1
127.03888	10.6
129.06958	9.9
131.04907	10.6
131.08540	18.7
133.10156	35.6
135.08098	5.2
135.11674	21.9
137.05910	5.6
143.08569	11.3
145.04951	8.1
145.10117	18.8
147.11687	27.3
147.32605	5.0
149.13264	13.4
155.08568	6.9
157.10197	8.3
159.11697	10.6
161.09538	6.7
161.13292	22.4
171.11691	18.0
173.13275	12.0
175.14824	10.3
176.03317	4.3
185.13220	8.1
198.07014	4.6
212.48518	5.5
231.20992	4.8
237.12918	4.6
238.68141	5.0
241.19437	22.6
246.67439	4.5
248.68796	4.2
259.20575	48.6
271.09818	5.0
271.20724	4.9
277.21713	7.1
333.24487	8.0
351.25287	100.0
352.25592	5.2
441.26599	9.7
446.23981	5.1
459.27512	8.8
477.28488	9.5
495.29343	13.8
513.18781	8.0
675.39050	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05503	0.7
57.03437	0.9
61.41891	0.4
67.05510	2.3
69.03415	1.4
69.07036	0.8
69.28233	3.9
79.05464	1.4
81.03437	2.5
81.07052	3.1
83.04980	0.9
83.08606	1.3
85.02905	2.8
91.05453	1.3
93.07056	2.8
95.04956	1.0
95.08571	1.0
97.02886	1.2
97.06569	0.4
97.10161	0.7
101.33084	0.4
105.07015	1.0
107.04970	2.8
107.08585	1.6
109.10099	0.9
116.10725	1.0
118.29119	0.4
119.08567	0.7
121.06427	0.5
121.10193	0.8
129.06975	0.5
131.04895	0.4
131.08588	0.7
133.10150	0.9
135.98065	0.4
137.05870	0.6
137.26138	0.5
147.11642	0.5
149.13231	0.5
152.06178	0.5
153.07030	0.5
165.07007	1.5
167.08467	0.6
175.11316	0.5
180.05705	0.9
181.06436	1.6
182.07237	0.6
183.08058	1.1
185.09688	0.5
193.12245	1.0
195.08043	3.1
196.08823	5.1
196.17110	0.5
197.05995	1.3
198.06718	0.6
199.07518	1.0
207.71886	0.4
209.06036	0.7
211.13326	1.6
212.08365	5.7
213.09106	7.3
214.18007	5.4
215.18362	2.8
216.18466	0.9
223.07399	0.7
224.08212	0.7
225.09019	1.1
226.06282	0.5
227.10683	2.0
241.08621	7.2
242.09367	2.8
253.08533	0.6
255.10167	100.0
256.10873	6.0
267.15979	0.9
269.17456	2.5
285.16861	0.9
399.75723	0.5
401.11234	0.6
405.14902	0.7
408.31052	1.3
416.13791	0.9
432.13391	0.6
433.14349	0.9
434.15164	1.2
435.12485	0.6
437.17590	0.6
447.15851	1.7
448.16782	0.5
450.14853	0.6
461.29031	3.1
464.16190	1.2
465.17255	2.3
466.17551	0.8
470.15564	0.7
479.18613	0.8
479.30048	5.1
482.16742	1.3
483.16254	1.0
484.17236	0.6
496.17145	1.3
497.19586	40.2
498.18896	4.4
499.18588	0.8
504.38937	0.6
514.34863	0.7
556.19464	0.6
644.24280	0.8
645.25006	0.7
658.24896	0.5
676.26666	13.4
676.39655	3.3
677.26422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
65.03931	2.3
67.05490	2.7
69.07065	3.7
70.06567	4.0
71.21889	2.6
79.05492	8.9
80.05017	4.0
81.03405	3.4
81.05804	4.1
82.06596	4.7
83.04967	2.6
86.09731	1.8
91.05486	8.4
93.07048	19.9
94.06570	25.9
95.04977	4.1
95.07360	21.9
95.08617	5.4
96.08133	46.3
97.06528	4.6
103.05470	4.8
105.04597	3.4
105.07041	2.5
106.06575	2.8
107.04959	71.5
107.08575	2.0
108.04499	13.7
108.08111	29.2
109.08891	3.3
110.06049	2.8
110.09686	82.7
118.06522	2.7
119.08567	3.3
120.04479	19.4
120.08108	58.3
122.06037	7.4
123.06862	4.8
124.07599	3.9
125.06071	3.3
127.03905	2.3
131.04996	2.2
133.10135	1.9
136.07602	13.0
137.06082	2.0
138.05528	2.2
138.09145	87.7
146.06032	4.3
148.07585	13.7
150.09195	2.3
160.07596	3.9
164.07150	3.5
166.08653	86.1
175.08638	2.3
185.07201	2.4
187.14986	2.3
199.08745	2.9
204.06586	6.6
209.10680	3.1
210.11639	2.7
211.08752	4.2
211.12466	2.6
213.06752	4.3
213.10223	3.6
223.08698	5.6
223.12387	6.6
224.09451	6.0
225.06671	4.5
225.10275	9.0
226.11086	3.4
227.11847	4.3
235.08777	5.9
236.09477	7.4
237.10214	14.1
238.11079	3.3
239.08253	3.7
239.11856	8.5
240.12740	2.4
241.09866	3.5
243.11438	3.3
245.12744	2.5
249.10246	22.0
250.10994	11.7
250.74936	2.0
251.08073	2.3
251.11829	35.7
252.12692	6.1
253.09711	4.8
253.13408	5.2
255.11435	3.3
261.10324	3.5
263.11765	11.0
265.09863	5.5
265.13376	8.5
267.11331	7.9
269.12854	51.5
269.15588	3.3
271.10910	2.5
273.12317	2.4
277.09708	2.6
278.10471	2.2
279.11310	5.1
281.12668	2.7
283.10583	4.6
285.12457	7.7
295.10889	4.7
297.12384	12.8
299.14212	3.5
300.11826	2.8
300.15088	5.1
302.13284	2.8
303.13730	4.4
309.12473	6.5
311.13919	6.2
314.13419	3.9
314.16620	9.2
316.14706	7.2
317.11777	2.5
317.15140	2.4
318.12445	4.4
318.16104	2.5
321.14999	2.3
325.11902	4.7
325.15805	2.4
326.12894	5.0
326.16513	3.0
327.13751	4.1
328.14474	6.4
329.11578	4.2
330.12436	7.5
330.15979	4.5
331.13721	3.5
332.14047	4.1
333.14850	3.3
342.12357	6.1
342.15927	2.5
343.13217	3.4
344.13986	12.3
344.17749	3.4
346.11765	2.7
346.15662	6.6
354.16055	3.0
356.14032	8.6
357.14871	6.1
358.11862	4.7
358.15741	10.4
359.16281	6.9
360.17050	4.2
368.14066	3.0
370.15701	3.7
371.12442	3.3
371.16370	6.2
372.13220	2.9
372.17233	9.0
373.14667	3.5
374.14825	4.0
374.18887	4.3
382.15540	5.0
383.13220	3.2
384.17410	10.1
386.14886	11.7
387.15836	10.7
388.16583	10.1
390.18365	4.3
398.15198	3.7
399.16000	2.4
400.16556	16.3
402.18246	8.5
403.97552	2.1
406.17642	6.1
409.17630	10.9
410.15057	3.9
416.16077	42.5
417.16812	2.7
418.17490	11.9
428.16147	16.1
430.17621	8.4
434.17108	59.4
436.18430	3.1
444.15335	3.9
446.17102	100.0
447.17175	3.2
448.18494	4.0
449.19965	2.4
452.18008	14.9
456.15744	5.9
458.02802	2.1
462.16364	11.6
464.18283	17.2
474.16660	12.6
480.17831	13.2
488.18323	2.4
492.21631	2.6
494.19125	11.8
506.19247	12.6
512.20331	35.3
515.21661	4.7
524.19879	12.2
553.24677	5.4
571.25336	3.8
581.23804	27.3
582.25317	2.6
583.26117	4.7
597.56445	2.1
599.25012	91.4
600.25391	3.9
601.26758	2.4
609.23334	8.8
617.26044	23.8
627.24591	32.8
641.25952	9.7
645.25543	93.3
646.25867	3.6
659.27185	14.7
677.28156	96.1
678.28375	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	677.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01880	2.9
67.05497	5.1
69.34856	13.5
69.35268	4.2
70.06593	5.3
79.05494	9.9
80.05025	4.9
81.03423	3.5
81.07073	6.2
82.06578	4.5
84.51173	2.2
85.02897	5.9
86.09711	2.7
91.05493	9.9
92.02118	2.5
93.05791	2.2
93.07046	18.3
94.06567	23.7
95.04952	3.6
95.07352	25.2
95.08614	4.9
96.08138	45.2
97.02925	4.1
97.06543	6.6
103.05485	5.0
105.07058	5.9
106.06599	3.9
107.04960	68.2
107.08606	2.5
108.04497	13.5
108.05233	3.5
108.08126	27.7
110.06070	3.2
110.09681	78.1
110.10403	4.0
119.08643	2.6
120.04483	15.2
120.08108	57.1
121.10208	3.9
122.06060	5.3
122.75527	2.1
123.06842	2.2
124.07638	2.4
125.06023	2.8
127.04004	2.0
129.06999	2.8
131.04926	4.6
134.06029	5.8
136.07603	11.6
137.05983	4.8
138.09142	86.3
140.98021	2.1
145.10132	3.6
146.06027	4.3
148.07616	13.1
157.10083	2.7
160.07584	4.2
163.07521	2.4
164.07146	3.0
165.01936	2.2
166.08646	76.5
172.03938	3.0
175.14822	2.9
190.05057	2.7
199.08766	5.6
200.06949	3.8
201.10196	2.6
204.06664	6.7
209.10796	4.2
211.08737	3.2
211.12340	2.7
213.06732	2.8
213.10291	5.6
222.11484	2.7
223.08780	2.7
223.12320	3.9
224.09389	2.6
225.06659	4.8
225.10262	10.1
226.10948	3.2
227.11829	4.3
235.08701	3.4
236.09468	6.0
237.10303	13.2
238.11115	3.8
239.11806	11.6
240.13060	2.4
241.09767	2.6
249.10226	24.6
250.11108	7.8
251.08167	2.3
251.09215	3.5
251.11784	35.1
252.12560	10.1
253.09749	8.0
253.13428	8.3
255.11276	2.6
263.11838	9.5
264.08768	2.2
265.09756	5.6
265.13370	7.8
267.11395	4.6
269.12845	45.4
269.15549	2.8
271.10876	3.4
277.09818	4.7
279.11343	7.5
283.10907	4.7
285.12469	5.0
287.11462	3.4
293.12869	2.7
295.10892	2.9
296.11697	3.8
297.12180	13.2
299.14145	4.0
309.12433	4.9
310.13187	2.5
311.14001	5.2
314.12964	6.3
314.16644	10.8
315.05011	25.2
315.13885	4.6
315.17276	2.9
316.14517	4.8
325.11853	4.4
326.12988	3.4
326.16553	4.0
327.13812	4.4
328.14542	6.1
329.11746	4.1
330.12518	8.1
330.16113	5.5
332.14017	3.4
342.12436	6.3
342.16092	4.3
343.13382	5.8
344.14087	14.0
345.15060	4.5
346.15579	5.9
354.16190	3.4
356.14130	6.2
357.14963	8.8
358.11789	3.3
358.15610	11.7
359.16528	4.8
360.17374	5.3
368.13882	4.0
370.15671	3.3
371.16431	6.8
372.13281	3.7
372.17273	7.6
373.14212	5.3
374.14865	4.6
374.18921	4.1
382.15530	5.3
384.17392	10.2
386.14957	13.6
387.15823	8.9
388.16660	11.5
398.14804	2.9
400.16727	19.5
402.18228	8.0
406.17715	7.2
409.09204	25.7
416.16019	45.0
416.21094	3.4
417.16544	3.0
418.17593	10.4
428.16098	21.6
430.17642	6.6
434.17130	53.9
444.16101	3.1
446.17142	100.0
447.17258	3.3
448.18732	5.4
452.18256	13.2
456.15710	3.7
462.16629	9.1
464.18292	18.3
474.16550	8.0
480.17908	9.6
494.19437	8.6
506.19315	9.0
512.20306	28.6
513.21155	2.6
515.13733	6.0
524.20453	9.4
532.69910	2.4
553.24670	9.1
571.25568	4.3
581.24170	31.0
583.25549	9.0
599.25049	97.5
609.23340	9.6
617.26038	26.8
627.24402	22.6
641.26031	7.1
645.25659	94.3
646.25916	4.4
659.27405	18.6
677.28217	81.9
678.28223	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	677.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76432	0.2
61.26036	0.2
64.21719	0.2
66.20330	0.2
67.05518	0.4
70.16402	0.7
70.16749	0.3
71.05029	0.2
71.82354	0.2
79.41648	0.2
81.07061	0.2
87.37610	0.2
88.07677	0.3
91.05477	0.4
95.08612	0.4
115.80173	0.2
120.53146	0.2
120.73647	0.3
124.27669	0.2
129.07039	0.2
142.55762	0.3
159.11601	0.2
165.16010	0.2
182.16814	0.3
185.04227	0.7
189.46124	0.2
193.04900	0.3
259.07852	0.4
286.76636	0.3
333.24704	0.4
347.09634	1.0
350.44592	0.3
421.13120	0.3
476.54059	0.2
508.45947	0.3
515.31921	21.2
516.32098	0.5
551.03186	0.2
677.37177	100.0
678.37354	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
53.33089	3.1
55.05506	11.4
57.03421	6.2
57.40536	3.1
61.02923	21.8
62.86540	3.2
65.03918	4.1
67.05139	4.7
67.05504	86.7
69.03412	5.3
69.07058	18.5
70.06584	3.5
71.04983	3.5
71.48396	6.4
73.02930	8.7
79.05494	47.6
80.11626	3.2
81.07056	100.0
83.08624	10.6
85.02890	25.6
85.18674	3.7
87.27751	3.1
91.03947	24.0
91.05478	32.4
93.07049	62.6
95.05009	3.6
95.08613	78.2
97.02869	14.8
97.06550	4.8
97.10185	4.7
102.09152	4.1
105.07034	23.2
107.08588	40.1
109.10152	42.8
117.07069	6.7
119.08599	19.8
121.10134	36.1
123.08088	4.1
123.11703	25.6
127.03964	5.2
131.08571	19.8
133.10117	19.4
135.11685	26.3
137.13295	5.6
145.04994	8.6
145.10138	13.5
145.39723	3.3
147.11710	12.3
149.13223	21.1
159.11690	19.2
161.13272	11.3
163.06032	12.1
163.14815	14.4
173.13347	17.2
175.14851	5.7
177.16396	6.8
179.14326	4.3
181.70358	3.6
187.14828	13.4
193.04919	6.1
243.21030	38.2
256.26416	9.1
261.22147	98.3
335.25787	36.6
353.26917	32.5
377.97177	3.9
497.30936	10.5
677.54401	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	3.7
55.05502	13.3
57.03417	11.1
57.07067	4.8
61.02936	15.8
61.57868	3.4
63.07531	3.1
67.05508	77.1
69.07060	13.9
73.02911	8.2
79.05492	51.0
81.06602	4.9
81.07063	89.9
83.08624	9.3
83.26496	3.0
85.02907	22.4
85.06553	6.8
91.03941	15.1
91.05486	29.1
93.07056	58.8
95.08065	5.3
95.08617	67.2
97.02894	11.6
97.06549	3.5
97.10128	4.0
105.07059	19.1
107.08585	34.2
109.10169	37.4
113.24623	2.8
115.04001	3.3
117.07007	6.7
119.08593	15.7
121.10146	33.6
123.11704	23.4
127.03915	4.9
131.08594	20.5
133.10132	21.8
135.11707	35.1
137.13283	9.2
141.58679	3.1
145.04927	8.7
145.10130	19.9
147.11688	8.0
149.13260	21.8
159.11653	10.7
161.13351	15.3
163.06001	13.1
163.14789	16.8
165.12750	3.7
173.13234	19.7
175.14700	5.9
177.16461	5.8
187.14810	9.2
204.51408	3.5
225.02452	4.0
241.96980	3.0
243.21077	31.2
261.22156	100.0
279.23145	5.6
334.87790	3.3
335.25839	36.3
353.26849	27.4
497.31125	5.0
677.35120	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.10773	1.4
55.01864	2.4
55.05516	13.7
56.84849	1.3
57.03428	5.8
57.07063	3.0
61.02646	2.5
61.02929	24.1
65.03938	1.8
65.82614	1.3
67.05507	66.4
69.03429	3.8
69.07075	14.3
71.05003	2.3
71.08654	2.5
71.48303	2.4
73.02917	7.8
79.05500	43.0
80.96498	1.4
81.03425	2.6
81.07060	72.3
83.08633	8.4
85.02908	24.8
85.06562	3.3
91.03966	25.6
91.05488	22.5
93.07050	55.9
95.04954	4.4
95.08614	56.0
97.02894	14.6
97.06551	4.6
97.10175	3.9
99.04515	2.6
99.08092	2.8
105.07032	19.1
107.04955	9.0
107.08595	37.8
109.06561	2.9
109.10168	29.8
110.21585	1.8
111.08128	2.5
113.09683	2.3
115.03909	2.5
117.07011	10.7
119.08570	16.4
121.10150	31.3
123.08081	2.7
123.11716	17.4
124.24689	1.4
125.09648	3.0
127.03906	8.5
129.07037	2.0
131.08591	16.3
133.10141	17.2
135.11697	29.2
137.09593	2.1
137.13293	6.1
139.11252	2.3
145.04965	11.9
145.10130	13.9
147.11693	10.5
149.13274	18.7
151.11212	2.4
151.14839	1.6
153.12744	1.4
159.11697	16.7
161.13281	9.7
163.06018	15.0
163.14853	15.0
164.12810	1.5
165.12775	1.8
173.13263	14.7
175.14819	3.9
177.12735	2.4
177.16428	6.2
179.14369	2.3
187.14821	10.4
201.16434	4.9
205.16002	1.9
233.22685	3.4
243.21114	34.6
252.07855	2.3
261.22156	100.0
262.22409	2.1
267.10257	3.7
279.23126	2.9
335.25912	16.9
338.67624	3.2
353.26895	31.5
556.99384	1.5
563.05865	1.7
617.22485	4.0
645.21857	2.6
677.35828	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05518	4.2
57.03437	1.0
57.07072	1.2
63.20891	0.7
67.05513	5.9
69.03436	2.5
69.07075	8.4
70.06590	2.7
71.05028	0.9
71.48058	0.9
77.03571	0.8
79.05513	4.2
81.03425	1.3
81.07059	12.1
83.04974	5.0
83.08622	2.7
85.02911	2.2
91.05490	4.7
93.07047	11.0
95.04962	2.4
95.08613	9.7
97.02838	0.9
97.06531	2.9
99.04459	1.6
103.05466	1.1
105.07022	6.0
107.04955	16.6
107.08598	8.8
108.05302	1.1
109.02889	3.5
109.06506	2.5
109.10154	10.7
111.04448	3.4
111.08128	1.3
117.06960	0.9
119.05038	1.0
119.08590	7.4
120.08138	1.0
121.06535	2.7
121.10152	9.6
123.04436	0.9
123.08070	1.5
123.11704	4.5
125.05988	3.9
125.09595	1.0
127.03919	5.3
131.04935	2.1
131.08582	2.4
133.10139	4.4
135.08041	1.8
135.11697	4.2
137.05968	3.3
137.09615	2.5
137.13292	1.2
139.03889	5.9
143.08592	1.5
145.06480	1.0
145.10141	5.4
147.08064	3.0
147.11719	4.0
149.06006	1.2
149.09650	7.5
149.13200	1.6
151.07550	2.2
151.11205	1.6
153.05496	2.5
153.12811	4.1
155.08545	1.2
157.10130	3.1
159.08037	1.6
159.11702	2.7
161.09636	2.6
161.13228	1.9
163.07570	2.8
163.11179	3.2
163.14838	1.6
165.05565	1.6
165.09071	1.2
165.12743	1.3
167.07056	3.3
169.10138	1.3
171.07996	1.2
171.11714	1.5
173.09616	3.1
173.13284	1.8
175.07605	1.7
175.11221	2.7
175.14899	1.0
177.09137	1.9
177.16495	1.4
179.08588	0.9
181.04948	1.1
183.11731	1.2
187.07532	2.0
187.11185	2.0
187.14862	1.0
189.09081	2.7
189.12651	1.3
191.07039	38.7
191.10655	1.5
193.08656	1.2
197.13203	1.7
201.09090	2.3
201.12778	2.1
205.08540	1.6
209.08167	1.1
211.14648	1.1
213.16432	1.5
215.10799	2.0
215.14348	2.5
225.12834	1.1
229.16019	1.0
233.15399	1.6
243.13914	3.7
247.13338	1.1
253.12233	2.3
257.15372	1.7
261.14917	5.0
271.13257	3.7
273.14798	1.7
275.16437	4.2
289.14368	9.4
291.15927	1.2
303.16019	3.9
307.15387	2.8
409.27505	2.6
427.28476	28.1
445.29517	100.0
446.29779	3.4
463.30508	10.8
525.79736	0.8
554.24969	0.9
600.25482	1.0
628.24432	1.9
660.26984	3.0
678.26233	1.0
678.41400	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.5
55.05516	42.2
55.18574	5.9
57.03433	15.3
57.07088	7.4
57.28679	5.9
61.83271	5.9
67.05508	100.0
69.07050	35.1
69.43929	31.0
69.44350	21.1
71.04996	17.3
71.08614	12.8
79.05482	71.2
81.03436	12.9
81.07046	83.4
83.04964	8.0
83.08607	21.5
86.09702	15.3
86.92407	7.0
91.05483	80.9
93.07048	86.5
95.04988	8.9
95.08605	63.3
97.06531	56.6
105.04550	6.5
105.07034	61.5
107.04978	8.8
107.08584	55.3
109.06512	13.0
109.10173	34.2
110.51416	6.7
115.07549	16.8
117.07005	18.5
119.08582	27.8
121.06515	9.5
121.10134	28.9
123.08102	6.9
124.99998	14.1
131.08601	27.7
133.10133	45.1
133.10966	7.1
135.08080	9.7
135.11682	15.6
143.08549	8.9
145.10097	16.1
147.08090	6.5
147.11678	16.1
149.13290	10.2
151.11157	8.3
159.11659	12.9
162.76820	7.5
163.11142	8.2
171.11658	8.3
179.14345	6.8
184.07353	60.3
187.14879	7.7
219.58055	7.6
248.92644	6.1
253.14372	10.8
273.18289	13.4
277.21497	10.6
293.21173	22.6
333.24390	7.5
335.25751	34.3
349.24066	7.7
350.46307	6.9
365.23401	12.0
367.24905	12.6
437.57047	8.1
467.69766	7.3
529.38904	24.5
611.30780	8.6
625.44110	9.6
643.45099	19.1
678.45947	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	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60349	2.8
53.93524	3.6
55.05522	23.5
56.61532	3.6
57.03438	7.7
57.07071	8.2
58.75336	2.9
61.02932	19.3
67.05508	91.1
69.03391	3.9
69.07072	25.3
69.91894	19.4
73.02930	8.8
79.05496	23.0
81.07058	100.0
83.08624	27.0
85.02902	16.5
85.10174	4.5
86.50876	3.2
91.03937	17.5
91.05502	19.2
93.07047	24.1
95.08611	78.4
97.02905	11.5
97.06512	8.2
97.10165	11.2
99.08080	4.3
105.07027	11.9
107.08616	17.3
109.10165	39.5
119.08596	9.8
121.10147	19.9
123.11691	23.3
127.03959	5.0
133.10136	14.8
135.11705	15.7
137.13266	11.2
141.12791	4.4
145.04941	9.6
147.11725	9.3
149.13277	12.2
151.11259	4.4
151.14870	7.4
155.14372	4.1
161.13295	14.9
163.06076	7.1
163.14821	10.8
165.16423	10.9
175.14839	8.0
179.17996	7.2
189.16331	6.0
193.04915	4.1
245.22649	60.4
257.37369	3.4
263.23700	94.2
337.27365	71.1
355.28534	10.8
499.32495	6.9
535.73737	3.7
624.74866	3.5
679.52142	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	680.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05515	10.6
57.03440	7.2
57.07060	3.5
61.02930	28.9
65.03934	2.3
67.05509	69.1
69.03426	4.5
69.07065	11.1
69.87749	2.4
69.88139	2.9
71.04977	3.5
73.02929	9.7
76.04855	1.1
77.03923	1.5
79.05495	44.4
81.03418	2.6
81.07062	67.6
83.04944	1.5
83.08636	6.8
85.02908	30.7
85.06549	2.4
91.03967	21.7
91.05486	21.6
93.07048	53.9
95.04957	2.8
95.08616	69.9
97.02893	16.2
97.06536	2.7
97.10155	3.2
97.98682	1.1
98.20763	1.4
99.08090	1.8
105.04557	1.2
105.07037	21.9
107.04952	3.3
107.08605	43.1
109.02862	1.6
109.10165	39.2
110.09705	1.4
111.08015	2.9
113.09650	1.2
114.04582	1.2
117.07023	8.1
119.08582	15.5
121.10152	40.7
123.08094	1.6
123.11716	15.0
126.19569	1.1
127.03941	10.2
131.08575	20.3
133.10133	17.0
135.11705	35.0
137.09610	4.1
137.13240	3.8
139.11205	3.2
145.04967	10.4
145.10132	20.6
147.11708	16.0
149.09630	1.8
149.13268	24.8
151.11185	2.9
159.11713	18.1
161.13237	7.4
163.04755	1.5
163.06039	18.4
163.11168	1.9
163.14819	11.9
165.12823	2.9
171.11801	1.4
173.13272	15.9
175.14787	2.1
177.12692	1.2
179.14322	1.4
187.14833	5.1
191.14357	1.9
201.16393	2.3
219.21056	3.0
229.19524	43.1
247.20587	100.0
248.20972	3.1
249.22362	2.3
252.49051	1.1
265.21613	6.9
319.09982	1.3
321.24252	33.7
339.25336	45.4
379.52905	1.3
396.59335	1.5
471.52982	1.3
483.29565	4.8
513.85956	1.6
624.44122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69122	1.6
53.03942	3.9
55.05271	2.7
55.05513	31.3
57.03433	7.4
57.07076	17.7
61.02925	21.2
64.71166	1.8
65.03949	2.1
67.05506	43.5
69.03413	2.5
69.07070	53.6
69.87152	1.5
70.90867	1.5
71.08625	12.6
71.48630	1.8
73.02911	6.6
79.05495	21.5
81.06597	2.8
81.07056	54.4
83.08618	44.0
85.02910	17.8
85.06522	2.5
85.10181	7.1
91.03952	14.6
91.05455	4.4
93.07043	27.9
95.08612	47.7
97.02885	9.1
97.06547	12.4
97.10171	31.1
99.08080	2.1
105.07024	2.0
107.08595	21.2
109.02876	2.0
109.10146	27.8
111.08078	7.5
111.11707	11.1
121.10149	44.0
123.11707	9.1
125.09662	2.5
125.13232	2.8
127.03906	6.9
131.27370	1.5
135.11684	34.9
137.13264	3.8
139.11203	4.9
145.04951	9.9
149.13266	16.2
151.14821	4.4
151.97311	1.6
153.12755	2.4
163.06024	10.4
163.14825	6.1
165.16360	4.4
177.16412	2.6
181.15898	2.0
191.17932	1.5
219.97302	1.8
233.76065	1.7
247.24202	36.4
248.24591	1.6
251.49629	1.7
265.25272	94.7
280.41379	1.9
283.26343	14.1
339.28949	100.0
340.29181	3.0
357.29996	22.6
501.33945	5.0
641.42786	1.8
653.37445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02380	0.3
53.03951	1.3
54.82861	0.1
55.01864	0.5
56.13637	0.1
57.03439	0.2
57.66576	0.1
59.35804	0.1
61.02907	0.2
67.05507	0.3
69.03441	0.7
69.35001	1.2
70.06570	0.4
71.05008	0.2
73.02918	0.2
77.03930	0.2
77.89322	0.1
79.05489	1.4
81.03424	0.9
81.07059	0.2
85.02910	2.4
86.09698	0.3
87.00829	1.3
87.04397	0.2
91.05495	0.3
93.07045	0.2
95.04986	1.3
95.08644	0.2
97.02888	1.2
98.20744	0.3
99.04469	0.3
101.80156	0.2
103.05470	0.4
105.01880	1.7
105.04504	0.5
105.07030	0.3
107.04959	100.0
108.04592	0.3
108.05302	1.2
109.02880	1.0
113.06046	0.1
118.00558	0.1
119.08521	0.2
121.06510	0.3
121.10095	0.1
124.03934	0.5
127.03911	2.0
131.04945	1.2
133.10130	0.2
137.05994	1.0
142.68602	0.1
145.04996	0.6
147.04355	0.2
149.05952	0.3
159.02882	0.3
161.06017	0.3
175.07500	0.2
187.07574	0.2
197.05978	0.2
213.03958	0.2
215.07095	0.2
231.04987	0.8
247.13715	0.1
249.06174	0.3
266.08813	0.2
268.08066	0.3
287.23907	0.2
302.83380	0.2
367.75983	0.2
545.64575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.2
50.06764	0.1
51.02377	0.3
53.03953	1.4
55.01868	0.4
69.03436	0.8
69.07079	0.2
70.06602	0.8
71.04985	0.3
71.48440	0.3
77.03932	0.4
79.05509	1.7
81.03433	0.9
81.07056	0.2
84.08155	0.2
85.02914	2.1
86.09681	0.3
87.00854	1.0
91.05510	0.2
93.07045	0.3
95.04984	1.4
95.08585	0.2
97.02893	1.4
99.04462	0.2
103.05465	0.5
105.01870	1.7
105.04520	0.6
105.07003	0.3
107.04961	100.0
108.05297	1.0
109.02913	1.1
109.10168	0.2
110.07165	0.2
119.08585	0.2
121.06461	0.2
121.10137	0.2
124.03973	0.3
125.05959	0.1
127.03934	1.9
129.10277	0.2
131.04933	1.5
133.06496	0.3
133.10155	0.2
137.05965	0.8
139.81898	0.2
139.90996	0.1
145.04964	0.6
149.05984	0.4
150.57404	0.2
159.08118	0.2
161.06027	0.3
164.07043	0.2
175.07610	0.3
187.07578	0.2
189.03995	0.2
190.78426	0.2
213.04045	0.3
215.06992	0.4
231.04958	0.9
249.06012	0.4
268.08188	0.4
272.88760	0.1
362.50421	0.1
481.24243	0.2
682.27026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	34.0
56.31083	0.6
57.03429	0.8
58.06585	1.0
61.00847	1.2
61.01155	21.8
70.06602	1.1
70.65779	1.1
70.66155	1.1
74.06083	16.0
81.07073	1.0
82.57173	0.6
84.04506	59.1
85.02889	3.1
86.06061	1.1
86.09708	39.5
87.10068	0.6
93.07072	0.6
94.06580	0.9
95.08646	0.7
98.06060	22.5
101.07137	3.7
102.05547	86.8
103.05452	1.2
104.05334	64.3
107.04956	5.4
110.06051	0.8
112.03976	2.8
112.07607	1.2
112.11251	2.0
113.07123	1.4
119.08671	0.7
120.08110	8.6
122.06025	3.7
123.13399	0.6
124.11272	1.0
126.05540	0.8
130.05017	3.1
131.04912	2.6
132.05322	0.7
133.76736	0.6
139.08693	2.5
140.07063	6.2
141.06512	1.1
141.13860	0.9
142.12311	1.3
143.08156	0.8
143.11829	1.8
146.06355	55.5
150.05513	8.4
158.08157	1.6
166.08646	4.2
167.08173	22.4
168.06541	2.9
169.06036	1.0
169.13394	1.6
173.07437	1.0
174.05855	41.1
185.09190	10.5
187.07175	0.8
187.14429	16.1
195.07668	29.5
197.12833	2.0
203.10237	6.7
213.08723	29.4
215.13918	8.3
219.12921	0.7
222.07002	0.7
230.15540	0.8
231.09738	4.0
252.17166	0.9
255.10156	0.7
279.17072	5.5
280.16568	2.6
292.19113	2.7
298.17593	1.0
303.10120	25.1
308.16107	0.9
326.17084	3.7
340.14438	0.6
344.18173	0.7
358.14474	2.8
360.12259	5.9
368.13013	1.4
376.15311	6.1
380.22076	0.7
386.13815	100.0
387.14044	2.0
404.14874	41.3
471.22632	5.3
473.23337	0.8
499.22208	22.9
517.23370	0.8
682.37817	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	682.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63649	1.5
53.03933	3.2
55.05515	17.3
57.03455	7.9
57.07087	9.6
61.02929	26.4
61.51572	1.4
63.95023	1.3
65.03940	2.4
67.05509	68.1
69.03458	3.8
69.07073	23.5
71.04979	2.8
71.08623	5.1
71.48067	2.9
73.02914	10.3
75.04488	1.8
75.17876	1.7
79.05492	20.8
81.03432	2.7
81.07057	78.8
83.04983	2.5
83.08627	14.8
85.02908	25.4
85.06554	3.7
85.10168	2.0
91.03968	18.9
91.05486	15.3
93.07041	23.5
95.04960	2.7
95.08614	75.4
97.02891	15.6
97.06540	5.7
97.10172	9.4
99.04456	3.2
99.08110	3.1
105.07042	10.5
107.08601	15.2
109.10159	36.0
111.08083	5.0
111.11703	3.6
113.09680	3.1
115.04001	1.7
119.08574	11.8
121.10154	23.5
123.11712	16.3
125.09661	2.4
125.13319	3.0
127.03951	7.8
127.11205	4.1
129.05449	1.7
133.10147	14.2
135.11697	13.8
137.13287	8.4
137.53111	1.5
139.11159	2.7
141.12743	4.5
145.04964	13.3
146.10582	1.8
147.11699	12.5
149.13257	16.6
151.14845	14.0
153.00490	1.7
153.12767	2.2
161.13263	10.9
163.06017	16.6
163.14828	4.7
165.16360	7.4
175.14859	9.5
189.16426	2.7
203.17957	2.0
231.18761	2.4
231.21095	70.7
249.22154	100.0
267.23160	2.0
323.25830	60.6
341.26962	12.5
344.17642	3.6
417.03787	1.8
440.37274	1.7
485.31091	7.1
606.94037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.182
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	0.5
55.02137	0.2
57.03428	0.6
58.65742	0.2
61.02911	0.6
67.33215	0.2
69.03432	8.4
70.06567	0.3
70.60269	0.6
71.04987	0.7
73.02908	0.6
81.03420	10.0
84.08182	0.2
84.60715	0.2
85.02432	0.4
85.02908	4.2
89.93954	0.2
92.02618	0.4
93.03390	0.5
97.02894	4.2
99.04459	2.0
103.42329	0.2
107.04949	0.4
109.02884	6.9
121.02860	0.8
127.03921	5.8
137.02374	0.3
137.05923	0.3
139.03903	0.7
145.04964	0.9
151.03903	0.7
153.01831	5.2
165.01791	0.6
177.05487	0.4
187.06027	6.0
201.05409	0.4
203.03181	0.3
205.07101	0.7
217.05075	0.2
218.05774	0.6
228.04207	0.8
229.04941	2.2
245.04500	0.5
246.05197	1.3
257.04437	2.3
271.06122	0.3
273.03995	1.4
274.04703	3.8
284.03265	0.4
285.03949	3.3
287.05563	0.7
288.06363	0.3
302.04233	11.0
317.06561	100.0
318.06931	1.9
352.32434	0.2
359.07645	0.7
425.08560	0.3
479.11874	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
53.03951	3.0
55.01862	3.1
55.05514	14.4
57.03435	1.7
57.07071	2.8
59.04996	2.2
61.02930	1.8
67.04491	0.8
67.05502	11.2
69.03435	6.6
69.07071	43.4
69.45484	0.9
70.06592	1.7
71.04995	2.1
71.48830	1.3
79.05496	8.8
81.03418	4.5
81.07059	26.3
83.04984	9.5
83.08630	7.7
85.02905	11.8
85.06540	1.9
87.00816	4.3
91.03954	1.1
91.05475	7.5
93.07047	17.9
95.04971	1.8
95.08606	25.7
97.02894	3.6
97.06543	4.0
97.10174	2.5
99.04489	2.1
99.08112	2.0
103.05480	2.6
105.01840	1.6
105.07025	10.0
107.04935	6.2
107.08605	19.6
107.77919	1.0
109.02873	3.7
109.06519	2.8
109.10163	11.5
111.08073	3.5
111.11724	4.4
117.07004	1.5
119.08569	12.0
121.06486	1.6
121.10138	15.3
123.08072	14.5
123.11696	8.4
125.09652	1.5
127.03926	4.6
127.07555	0.9
129.06978	2.3
131.04927	6.9
131.08566	6.2
133.06548	1.0
133.10126	10.0
135.08076	10.9
135.11681	10.6
137.06003	1.7
137.09631	2.8
137.13264	4.6
139.11183	3.4
142.07791	2.3
143.08583	3.8
145.04970	2.3
145.10126	6.6
147.04445	1.4
147.08073	1.4
147.11700	6.2
149.09608	6.1
149.13280	5.0
151.11241	1.8
153.12852	1.1
156.09343	1.8
157.10136	15.2
158.10863	1.5
159.02859	2.0
159.08124	1.2
159.11702	6.8
161.09598	4.2
161.13216	4.8
163.11189	3.6
163.14861	3.1
165.12761	1.3
169.10168	1.5
171.11723	12.1
173.09688	1.9
173.13272	14.8
174.10376	1.1
175.11174	5.9
175.14777	1.3
177.12755	7.5
177.16345	0.9
179.08382	0.9
179.14243	1.9
183.11745	1.8
185.13287	2.3
187.11189	2.5
187.14787	1.7
189.12749	6.2
189.16426	2.0
191.14320	9.7
191.18008	1.2
197.13295	1.7
201.09024	2.3
203.14293	3.2
203.17990	1.5
211.14835	2.8
213.16397	1.2
217.15956	1.1
227.17970	2.8
231.05008	1.1
231.17532	2.5
233.19022	1.1
241.08766	1.0
241.21599	1.2
243.20908	1.4
245.19055	2.3
247.20563	1.9
253.08742	1.0
255.17555	1.3
259.20581	1.5
261.22079	1.8
269.18918	2.1
271.20605	1.1
273.18359	1.0
287.20035	1.3
341.28421	2.4
381.31601	13.8
395.16251	1.0
399.32605	51.8
400.32910	1.5
405.38229	0.9
417.33658	100.0
418.33926	4.2
435.34720	17.2
471.21674	1.0
631.27051	1.0
683.34302	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65556	1.2
53.03941	1.5
55.05515	27.3
57.03450	10.0
57.07081	15.2
61.02929	28.5
65.03941	1.6
67.05505	36.3
69.03432	1.9
69.07072	47.2
70.26801	5.0
71.04986	2.4
71.08628	9.9
73.02930	9.0
75.04495	1.6
79.05492	19.5
79.32002	1.3
81.03433	2.4
81.07062	48.5
83.08623	37.3
85.02386	1.6
85.02906	28.9
85.06552	3.0
85.10183	5.9
91.03967	24.0
91.05495	3.2
93.07048	25.8
95.08613	47.9
96.32496	1.4
97.02901	13.1
97.06538	8.7
97.10176	23.5
99.08113	1.5
107.08593	17.0
109.10171	18.9
110.42189	1.3
111.08105	6.2
111.11725	8.0
113.09618	1.4
121.10152	43.1
122.04681	1.4
123.11733	7.8
125.09596	3.4
127.03938	8.4
135.11705	33.6
137.13248	8.5
138.43776	1.6
139.11166	2.1
145.04961	14.1
149.13257	12.8
151.14854	5.6
153.12877	2.8
155.14316	1.4
163.06030	16.5
163.14828	6.8
177.16408	3.9
185.15300	1.7
187.56883	1.3
233.22658	38.9
251.23715	96.1
269.24811	23.6
325.27399	100.0
326.27734	2.0
343.28464	55.8
469.16046	1.6
487.32544	5.7
601.32422	1.4
631.74384	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.48728	0.3
65.13474	0.3
67.05508	0.7
69.07092	0.3
69.92188	0.6
69.92586	0.9
73.04774	0.5
79.05486	0.5
81.07056	1.4
83.04929	0.4
91.05493	0.7
93.07058	0.9
95.04981	0.4
95.08636	0.7
96.15968	0.4
98.20800	0.5
98.63761	0.3
105.07027	0.7
107.04948	0.8
107.08660	0.4
109.06584	0.4
112.74066	0.3
119.08568	0.4
120.06535	0.4
122.03574	0.3
131.04945	0.6
131.08607	0.6
133.10185	0.6
137.06009	0.4
147.39546	0.4
162.87994	0.4
178.05942	0.4
185.25656	0.4
203.05315	1.9
237.16573	0.4
259.07953	1.0
287.18613	0.5
305.08105	0.4
315.67789	0.4
328.53909	0.4
347.09702	1.2
365.10544	2.6
421.12976	1.1
445.10681	0.4
523.28748	16.5
524.29095	0.8
580.78235	0.4
602.08319	0.5
685.34076	100.0
686.34637	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	685.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
54.55604	3.0
55.01869	3.7
55.05515	14.3
55.53884	2.6
57.07076	11.2
61.44029	2.5
61.60276	2.7
67.05505	28.9
69.03421	4.7
69.07068	33.8
69.30261	25.8
70.06587	9.4
71.05003	4.2
71.08624	7.6
79.05488	20.9
81.03445	3.6
81.07060	100.0
81.07536	5.4
83.04982	4.3
83.08622	11.6
84.08129	5.0
85.02903	17.3
86.09703	4.7
91.05464	16.4
93.07051	50.3
95.04988	9.5
95.08607	90.4
97.02888	6.4
97.06541	5.3
97.10166	10.0
99.08102	3.3
105.07029	29.6
107.04978	26.8
107.08593	38.1
108.05347	3.3
109.06490	4.9
109.10157	52.6
111.08089	5.9
111.11723	6.6
117.07002	3.3
119.08584	21.9
120.08102	3.2
121.10148	34.1
123.08087	3.7
123.11715	59.7
125.09656	5.7
127.03868	3.3
131.08586	8.8
133.10132	25.1
135.11684	23.2
137.06023	3.5
137.09604	3.4
137.13263	29.4
139.11205	4.8
141.12766	4.2
145.10129	9.4
147.11714	18.9
149.13274	20.9
151.11157	7.9
151.14792	4.5
155.10629	4.9
159.11720	12.1
161.13243	12.5
163.14787	14.7
165.12744	5.6
165.16469	3.0
173.13344	3.2
175.14806	8.7
177.16312	13.6
187.14799	4.1
187.74039	2.7
189.16385	6.3
191.17981	4.4
201.16415	4.2
203.17891	4.9
215.17944	10.2
233.19025	4.9
248.54256	3.0
251.20245	2.7
271.24213	24.8
277.25262	4.5
289.25256	33.3
307.26279	39.7
325.27295	16.3
326.63354	3.3
343.24777	2.9
343.28452	18.7
383.78052	3.3
399.84091	3.0
509.07800	3.2
524.19196	3.5
702.61700	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	685.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01864	3.6
55.05517	25.5
57.03440	2.5
57.07068	6.4
61.02900	2.9
67.05508	29.2
69.03438	16.5
69.07072	35.5
70.06599	4.6
71.04981	4.2
71.08617	2.8
71.48228	2.6
73.02915	3.3
74.66148	1.9
79.05496	19.4
81.03426	17.4
81.07061	79.1
83.04996	9.5
83.08630	15.0
85.02441	2.7
85.02913	35.0
85.06549	7.9
85.10159	1.8
87.00816	9.6
91.05463	13.5
93.07052	34.8
95.04970	2.3
95.08614	77.7
96.08926	2.0
97.02898	9.9
97.06525	4.0
97.10188	8.9
99.04464	4.9
99.08107	4.2
103.03882	2.0
103.05479	5.9
105.01866	6.3
105.07044	22.0
106.07388	1.7
107.04976	18.6
107.08606	38.6
107.49357	1.7
108.05286	3.0
109.02870	12.3
109.06533	8.4
109.10159	36.5
111.08089	9.2
111.11755	4.6
117.07024	4.1
119.04958	2.8
119.08586	26.0
120.04488	1.9
121.06501	4.4
121.10152	29.4
123.08077	47.8
123.11717	21.6
125.05945	2.3
125.09612	2.7
127.03933	23.4
128.06276	2.5
129.01826	1.7
129.06973	2.4
130.07797	1.8
131.04926	9.8
131.08554	10.8
133.10133	21.3
135.08057	19.7
135.11693	19.2
137.06009	2.3
137.09636	5.1
137.13271	10.5
139.07542	3.2
139.11127	1.9
142.07799	2.1
143.08578	7.7
145.05016	5.4
145.10144	14.4
147.04466	2.1
147.08101	4.3
147.11714	14.1
149.09604	13.3
149.13275	18.2
151.07574	2.3
151.11212	4.0
151.14789	3.2
156.09302	3.6
157.10139	14.6
159.02895	4.6
159.08041	2.3
159.11714	17.4
161.09627	6.6
161.13261	17.2
163.11191	10.1
163.14841	8.3
165.09116	2.1
165.12790	9.7
169.10126	2.4
171.11694	9.0
173.09650	4.8
173.13326	8.4
175.11197	11.0
175.14813	4.5
177.05376	2.4
177.12781	24.1
177.16368	2.9
179.14333	6.7
181.12225	3.0
182.55997	1.8
183.11726	3.7
185.13295	3.9
187.11234	4.5
187.14812	3.1
189.12778	18.3
189.16382	3.0
191.14354	9.7
191.17862	2.2
193.12244	2.7
193.15973	2.0
197.13197	4.0
199.14868	5.0
201.12836	1.9
201.16531	2.2
203.14296	7.0
205.15944	1.7
205.19583	1.7
207.13792	2.6
211.14899	5.6
213.16306	2.9
215.10652	2.4
215.14418	2.3
217.15891	4.6
219.17410	2.4
223.11142	1.6
229.19560	1.9
231.17493	4.2
233.19012	3.2
245.19124	3.8
247.20616	6.9
255.21048	2.0
257.19067	4.6
259.20569	7.7
273.22275	3.7
273.25674	3.5
287.23700	3.0
291.26910	3.1
301.25186	3.8
319.26334	3.0
327.26642	2.1
365.32019	5.2
383.33093	57.8
401.34171	100.0
402.34671	2.8
419.35205	65.5
420.35361	2.2
569.28864	2.2
685.37640	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	686.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05504	5.8
57.03455	3.5
57.07082	34.6
58.54389	0.6
61.02934	14.6
67.05509	11.5
69.03416	1.9
69.07076	6.9
71.08637	30.3
71.49018	0.9
71.49389	0.7
73.02906	4.6
73.04758	0.7
75.04484	2.5
79.05484	2.6
81.03385	1.2
81.06593	1.4
81.07055	17.4
83.08627	10.9
85.02911	18.2
85.10188	16.4
89.06025	0.9
91.03414	1.2
91.03958	13.9
93.07069	1.0
95.08614	25.0
97.02883	7.9
97.10169	9.7
99.04456	1.2
99.11754	1.1
105.07037	1.0
107.04961	6.3
107.08613	1.7
108.05310	0.9
109.10171	11.0
111.11713	2.9
115.03921	1.1
119.08588	0.9
123.04456	3.9
123.11716	5.3
127.03916	4.9
137.13266	2.5
145.04961	7.5
151.14845	1.0
163.06044	9.7
172.99443	0.6
226.93547	0.7
229.14363	0.8
235.24187	1.3
253.25279	24.3
254.25746	0.8
271.26379	4.1
327.28952	100.0
328.29318	1.6
335.25836	0.8
344.61411	0.6
345.30011	30.3
365.24988	0.7
392.18442	0.8
402.76984	0.7
418.37772	0.7
429.12454	0.7
484.22308	0.8
686.13074	0.7
686.39050	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.41459	1.0
55.05317	1.0
55.05516	10.8
56.49770	0.9
57.03437	12.5
57.07074	2.4
59.04999	4.0
61.02928	4.8
65.03932	2.5
67.05505	100.0
69.07073	7.1
70.18193	4.0
71.04985	3.8
73.02926	2.1
79.05077	1.9
79.05495	19.2
80.66997	1.1
81.07059	37.7
83.08617	6.9
85.02911	4.6
85.06539	3.3
91.03952	1.7
91.05476	13.8
93.07040	27.7
95.04991	2.2
95.08607	26.1
97.02878	1.8
97.06547	0.9
97.10148	1.8
105.07047	6.2
107.08612	14.3
109.10158	73.5
111.08062	3.9
111.60281	0.9
117.07028	2.8
119.08595	11.1
121.10149	11.6
123.11710	4.2
125.09626	1.2
131.08572	5.4
133.10136	4.1
135.11684	7.0
137.09615	3.0
137.13246	1.0
145.10138	3.3
147.11682	3.5
149.13243	3.3
155.10661	9.7
159.11710	3.8
161.13284	2.6
163.14853	3.0
173.11797	14.7
173.13278	3.2
187.14795	2.6
211.15889	1.0
227.12769	3.7
228.62830	1.0
229.14349	86.6
230.14642	1.2
243.21008	4.8
261.22119	16.7
271.20792	1.0
276.42307	1.0
317.24637	4.1
335.25800	77.0
336.26047	1.2
379.29477	1.1
471.34399	1.2
489.35773	65.0
490.36237	1.3
507.36670	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05515	13.9
57.03437	13.2
57.07066	2.4
58.87389	1.3
59.04993	5.1
61.02921	4.2
65.03933	2.8
67.05506	100.0
69.07066	6.9
70.08521	4.3
71.04997	2.9
75.92200	1.4
79.05492	20.2
81.06594	2.1
81.07056	36.6
82.74202	1.3
83.08611	8.5
85.02903	3.4
85.06538	2.4
91.05482	15.3
93.07044	23.9
95.08610	23.2
97.02876	2.8
97.10155	2.2
98.21523	1.2
105.07040	8.0
107.08590	13.7
109.06530	1.2
109.10161	76.2
111.08092	4.1
117.07003	1.9
119.08567	12.6
121.10141	7.8
123.11695	4.3
125.09620	1.4
131.08563	6.1
133.10121	4.8
135.11708	5.8
137.09576	2.9
137.13216	1.2
138.29654	1.2
145.10100	4.2
147.11656	2.1
149.13268	6.0
155.10645	10.2
158.60880	1.1
159.11700	3.2
161.13235	2.7
163.14789	2.9
173.11794	16.3
173.13316	3.1
175.14795	1.1
187.14738	1.7
189.11105	1.6
227.12805	4.0
229.14351	97.6
230.14636	1.8
243.21114	4.9
257.87427	1.2
261.22153	13.3
317.24936	2.7
335.25803	67.4
336.26245	2.9
365.20065	1.3
397.30621	1.3
415.32092	1.6
471.34598	1.7
489.28925	2.4
489.35800	39.8
490.36008	2.6
507.36868	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	686.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42543	0.6
52.33654	0.6
52.88170	0.7
53.03927	2.7
55.05510	8.4
56.05030	3.4
57.07083	4.7
58.06606	0.9
58.98641	0.6
60.04530	3.4
61.02925	0.8
63.57708	0.7
65.03941	0.8
65.19935	0.8
67.05507	16.1
69.03432	2.1
69.07072	8.1
70.06583	2.1
71.08618	2.0
71.48850	0.9
71.49198	0.8
71.58284	0.6
79.05496	12.1
80.05020	3.6
81.00893	0.7
81.01883	0.8
81.03413	1.4
81.05795	1.8
81.07053	13.5
82.06591	7.8
83.08625	5.3
83.17535	0.7
85.02893	2.6
85.10152	0.8
91.05473	12.2
93.05801	1.1
93.06491	1.0
93.07044	12.9
94.05963	1.2
94.06567	23.1
95.04959	1.5
95.07344	10.4
95.07905	1.1
95.08025	0.9
95.08612	11.3
96.08136	6.7
97.02882	0.9
97.10175	3.1
98.78860	0.7
105.07029	6.4
106.06560	0.7
107.08600	5.3
108.08118	4.2
109.10146	4.3
111.11597	0.7
119.08591	6.4
121.10138	7.5
122.09663	3.3
122.50191	0.7
123.11697	2.0
131.08582	0.7
133.10132	5.1
134.09656	0.8
135.10330	0.9
135.11696	3.3
136.11140	0.8
137.13177	0.7
141.94431	0.7
144.08011	0.7
147.11665	1.6
149.13199	0.9
161.13295	1.0
165.16388	0.9
171.06825	0.7
175.14819	0.7
191.17978	1.2
205.19521	4.2
211.00023	0.8
217.19487	3.5
219.21071	1.7
222.22166	8.0
231.21175	1.3
234.22160	100.0
235.20494	0.8
235.22614	1.7
236.23692	2.7
248.23732	31.6
252.23260	7.7
258.24292	1.6
262.25293	2.6
266.24835	2.0
272.25812	5.1
314.26898	0.9
348.29135	1.0
368.31714	0.9
392.83911	0.7
476.44550	5.7
488.44632	36.8
490.46268	7.1
506.45706	22.0
507.46088	0.9
574.48792	2.5
668.50812	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	686.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30694	0.9
55.05505	2.4
57.07079	33.6
58.85296	0.8
59.04994	0.9
67.05489	2.3
69.07079	4.4
70.43170	0.8
71.08635	29.1
71.09560	2.2
73.04731	1.2
73.06552	10.0
79.05491	1.4
81.07051	3.5
83.04983	1.0
83.08593	6.6
85.10184	18.7
87.04475	9.2
89.06034	100.0
95.08578	1.7
97.10176	5.2
99.11722	2.9
107.04946	2.6
107.07101	1.1
107.08614	1.1
109.10149	1.4
111.11712	3.6
112.67502	1.1
113.13274	1.7
117.09155	8.0
125.13259	2.0
127.14845	1.3
130.08612	2.5
131.07034	2.0
133.08606	54.8
149.05988	1.1
161.11772	2.5
163.11156	1.2
175.09685	1.6
177.11223	20.8
179.14595	1.0
211.24167	3.9
219.17450	1.9
221.13837	4.5
255.26936	2.2
279.12292	2.5
299.29388	4.0
343.32266	2.6
346.82755	1.1
445.18356	2.5
459.28165	3.0
546.05066	1.0
650.57452	1.0
669.50629	3.0
686.54144	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	687.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.51583	2.9
55.01874	2.7
55.05507	9.9
56.96568	3.6
57.07071	8.7
61.92939	2.8
67.05514	18.9
68.11757	2.5
69.03433	5.5
69.07071	37.8
69.19078	8.3
69.19495	19.3
70.06603	15.8
71.08636	6.5
72.08169	6.1
79.05497	13.8
81.03413	5.9
81.06316	3.3
81.07061	85.0
83.08613	13.5
84.08154	4.5
85.02892	16.0
85.06548	12.7
86.09710	10.8
91.05490	7.4
93.07047	33.0
94.76480	2.8
95.08613	69.6
97.02876	4.1
97.06525	4.6
97.10194	5.4
98.97572	10.4
99.08075	5.2
101.78851	2.7
103.15913	2.6
105.07036	9.6
107.04964	100.0
107.08599	36.4
108.05288	7.5
109.02850	3.1
109.10153	54.8
109.10853	4.2
111.08076	13.7
111.11724	7.8
119.08575	9.1
120.08080	3.0
121.10152	31.4
123.11724	59.3
133.10182	7.7
135.11700	19.7
137.13266	27.3
138.09155	3.1
139.11183	5.0
141.12769	7.0
147.04491	2.8
147.11699	4.9
149.13274	26.2
151.07532	7.5
151.14822	7.7
152.07791	2.6
153.12729	15.2
158.99646	3.2
161.13249	6.3
163.14850	11.0
167.14354	6.4
177.16389	11.0
179.18028	3.7
191.17989	8.0
201.00711	3.0
203.05942	4.0
211.05167	3.6
217.19498	6.2
219.01804	11.3
237.02910	7.3
247.24294	3.9
261.25851	4.1
273.05960	7.0
273.25735	11.7
279.26834	8.4
287.05484	8.0
291.26831	53.4
297.27975	7.6
309.27921	40.2
325.05951	4.8
327.28925	32.4
341.07947	2.8
355.09198	3.0
369.07574	3.9
387.08435	2.9
419.11423	17.4
437.01971	2.9
479.12274	21.4
497.13193	14.9
533.62292	2.8
661.90271	3.0
687.21143	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	688.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03931	0.9
55.01879	0.3
62.18869	0.2
67.05511	0.5
69.03424	0.4
69.07084	0.3
69.61530	0.5
69.61958	1.1
70.06590	0.7
77.03937	0.3
79.05504	1.1
81.03403	0.5
81.07056	0.6
83.04962	0.3
85.02897	0.5
91.05491	1.9
93.07054	0.5
95.04974	0.7
95.08614	0.7
97.02884	0.3
97.06561	0.3
98.97618	0.3
105.04557	0.4
105.07006	0.6
107.04959	100.0
108.04654	0.2
108.05274	1.3
109.10159	0.3
112.03131	0.3
119.04955	1.2
119.08611	0.5
121.06513	0.3
121.10128	0.3
123.05479	0.3
124.03973	0.8
129.06993	0.3
131.04933	0.8
133.10158	0.3
136.07643	0.3
137.05978	0.9
142.08636	0.4
147.04279	0.2
159.11719	0.4
167.07019	0.2
212.16515	0.3
213.09117	7.5
219.01773	0.3
248.97694	0.3
255.10095	0.3
301.59579	0.3
326.23373	0.3
383.22098	0.2
453.01184	0.3
457.61984	0.2
479.69742	0.2
582.34796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78963	3.3
51.48845	3.0
53.03943	19.4
55.01867	11.2
55.05514	32.6
57.03431	17.8
61.02926	9.7
67.05508	90.5
69.03077	4.4
69.03438	35.2
69.07072	26.7
69.72092	19.4
71.04987	12.9
73.02905	10.0
79.05494	68.5
81.03423	89.3
81.06597	6.3
81.07056	90.3
83.04967	24.3
83.08614	16.6
85.02905	21.2
85.06541	7.7
88.48062	3.3
91.03922	3.6
91.05491	62.5
93.07048	80.0
95.01305	4.6
95.04973	38.0
95.08610	58.5
97.02899	33.6
97.06528	6.9
97.10170	8.5
98.20858	6.9
99.04432	10.6
99.08117	4.4
103.03955	6.1
103.05473	3.3
105.07052	54.0
107.04984	18.8
107.08603	34.2
109.02869	14.2
109.06508	10.5
109.10174	23.2
111.04424	6.7
117.07023	29.3
119.08572	44.2
121.06471	9.7
121.10127	30.5
123.04412	13.5
123.08077	5.1
123.11687	9.9
125.09624	6.0
127.03931	10.6
128.06262	6.6
129.05482	6.4
129.07016	27.0
130.07887	5.2
131.04936	5.1
131.08565	39.0
133.06454	8.7
133.10156	25.5
135.04425	3.9
135.08087	8.7
135.11710	18.7
137.09650	5.3
138.48825	3.7
141.07034	11.3
142.07764	4.2
143.08574	23.2
145.06461	9.4
145.10130	37.4
147.04356	4.9
147.08052	6.8
147.11710	27.1
149.05931	4.0
149.13249	11.0
153.07025	3.4
154.07785	4.2
155.08542	14.8
157.10149	28.8
159.11682	21.3
161.05980	5.2
161.09535	6.5
161.13208	7.0
163.11165	11.2
167.08569	9.6
169.10147	15.9
171.11661	19.1
173.03156	4.1
173.04419	22.1
173.05878	3.3
173.09628	7.6
173.13234	16.0
181.10146	5.6
183.11678	17.5
185.13260	18.0
187.14879	7.1
193.12262	6.7
195.11761	10.8
197.09595	3.5
197.13280	13.0
199.14865	8.8
205.12408	3.5
207.13782	4.6
209.13242	7.7
211.14848	8.7
235.13182	18.5
257.19131	4.3
259.13354	5.2
259.20480	3.8
261.22107	11.8
267.15811	8.6
269.17383	4.8
273.14682	9.3
277.24792	3.6
295.20538	4.3
297.21875	4.5
301.14423	10.9
311.23566	4.0
315.23209	4.9
323.23520	4.9
335.25922	17.9
369.24420	4.6
375.18079	6.7
393.19101	5.4
409.97269	3.7
435.32574	8.2
453.33594	5.0
509.36368	6.5
517.38849	8.2
525.35492	5.9
527.37390	100.0
543.35986	4.2
545.38123	9.9
569.38385	5.2
611.39313	4.6
635.39331	7.4
653.40686	6.1
671.40887	11.4
689.32129	4.3
689.42755	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	0.8
55.05516	4.6
56.05022	0.5
57.03422	1.0
57.07065	0.7
61.02940	0.6
62.06099	0.6
65.03914	0.4
67.05515	2.6
69.03444	3.5
69.07070	9.6
70.06580	1.7
70.39520	1.0
70.39875	0.7
71.04994	0.7
71.07381	0.9
71.08628	0.6
72.08166	3.2
73.02900	1.2
73.06536	0.4
79.05492	3.0
81.03426	3.4
81.07056	4.9
83.04961	0.9
83.08627	4.8
84.04493	0.5
84.08139	1.6
85.02908	3.6
85.06526	1.0
86.06071	18.9
86.09672	0.4
87.00829	1.9
91.05470	1.8
93.07045	3.8
95.04945	0.9
95.08615	3.6
96.08131	3.6
97.02908	2.8
97.06535	3.6
97.10188	1.0
97.39563	0.4
98.06054	1.7
98.09702	8.8
99.04424	1.2
100.07656	0.5
105.01903	0.8
105.07017	1.4
107.04954	6.2
107.08606	3.3
108.05285	0.7
108.08142	2.3
109.02895	3.1
109.06489	0.5
109.10164	1.9
110.09673	1.2
111.08073	1.5
114.09190	0.7
115.07583	2.6
116.10733	49.8
119.04996	0.4
119.08614	0.6
121.10121	1.2
122.09682	2.3
123.04448	0.4
123.11730	0.5
124.07607	1.4
125.09660	0.7
126.09177	0.7
127.03906	4.0
129.01906	0.5
131.04930	1.5
133.10133	0.6
134.09641	0.8
135.11674	0.7
136.07581	0.4
136.11203	0.8
137.05995	0.6
138.09105	0.7
140.10710	0.9
141.09186	0.5
142.08640	1.8
145.04924	1.0
145.10265	0.5
147.11653	0.4
149.13249	3.2
156.31355	0.4
159.02937	0.6
159.11620	0.9
167.14326	1.2
212.16472	5.1
230.17534	1.0
231.15973	1.0
238.18005	1.2
239.16412	2.1
246.21857	0.4
256.19144	1.3
257.17456	4.0
262.21701	0.4
264.23190	0.7
268.22653	0.6
274.21661	0.9
280.22647	0.6
292.22726	3.6
310.23740	13.3
328.24832	100.0
329.25085	2.3
364.16116	0.7
416.22879	0.4
424.30634	1.9
442.31662	3.8
460.21637	1.6
478.22836	1.0
490.30014	0.6
493.28375	0.5
532.31165	2.3
558.28864	0.5
576.30219	11.0
672.35626	1.2
690.37463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	0.8
55.05516	4.6
56.05022	0.5
57.03422	1.0
57.07065	0.7
61.02940	0.6
62.06099	0.6
65.03914	0.4
67.05515	2.6
69.03444	3.5
69.07070	9.6
70.06580	1.7
70.39520	1.0
70.39875	0.7
71.04994	0.7
71.07381	0.9
71.08628	0.6
72.08166	3.2
73.02900	1.2
73.06536	0.4
79.05492	3.0
81.03426	3.4
81.07056	4.9
83.04961	0.9
83.08627	4.8
84.04493	0.5
84.08139	1.6
85.02908	3.6
85.06526	1.0
86.06071	18.9
86.09672	0.4
87.00829	1.9
91.05470	1.8
93.07045	3.8
95.04945	0.9
95.08615	3.6
96.08131	3.6
97.02908	2.8
97.06535	3.6
97.10188	1.0
97.39563	0.4
98.06054	1.7
98.09702	8.8
99.04424	1.2
100.07656	0.5
105.01903	0.8
105.07017	1.4
107.04954	6.2
107.08606	3.3
108.05285	0.7
108.08142	2.3
109.02895	3.1
109.06489	0.5
109.10164	1.9
110.09673	1.2
111.08073	1.5
114.09190	0.7
115.07583	2.6
116.10733	49.8
119.04996	0.4
119.08614	0.6
121.10121	1.2
122.09682	2.3
123.04448	0.4
123.11730	0.5
124.07607	1.4
125.09660	0.7
126.09177	0.7
127.03906	4.0
129.01906	0.5
131.04930	1.5
133.10133	0.6
134.09641	0.8
135.11674	0.7
136.07581	0.4
136.11203	0.8
137.05995	0.6
138.09105	0.7
140.10710	0.9
141.09186	0.5
142.08640	1.8
145.04924	1.0
145.10265	0.5
147.11653	0.4
149.13249	3.2
156.31355	0.4
159.02937	0.6
159.11620	0.9
167.14326	1.2
212.16472	5.1
230.17534	1.0
231.15973	1.0
238.18005	1.2
239.16412	2.1
246.21857	0.4
256.19144	1.3
257.17456	4.0
262.21701	0.4
264.23190	0.7
268.22653	0.6
274.21661	0.9
280.22647	0.6
292.22726	3.6
310.23740	13.3
328.24832	100.0
329.25085	2.3
364.16116	0.7
416.22879	0.4
424.30634	1.9
442.31662	3.8
460.21637	1.6
478.22836	1.0
490.30014	0.6
493.28375	0.5
532.31165	2.3
558.28864	0.5
576.30219	11.0
672.35626	1.2
690.37463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67089	0.4
53.03942	1.0
55.01896	0.5
55.05514	1.5
57.03438	1.6
60.83150	0.4
61.02934	5.6
65.04011	0.5
65.17316	0.4
67.05508	8.6
69.03440	3.7
69.07078	1.0
69.33745	3.2
73.02924	3.5
79.05486	2.6
81.03415	1.6
81.07059	5.8
83.01363	0.5
83.04980	0.5
83.08626	0.7
85.02916	4.4
85.83427	0.5
91.03954	3.8
91.05483	2.0
93.07048	3.8
95.08614	3.7
97.02898	5.7
99.04494	0.8
101.02414	1.6
105.07066	1.8
107.08598	2.3
109.02900	0.9
109.10165	5.6
111.08144	0.5
115.03977	0.5
117.06993	0.6
119.08623	1.2
121.10152	1.2
127.03957	1.1
129.05469	0.5
131.08548	0.5
133.10156	0.7
135.11726	1.1
145.10190	0.6
150.39238	0.5
163.11252	0.5
173.11798	0.6
195.10066	0.6
203.05452	0.5
223.87059	0.5
243.08504	1.6
335.25739	1.1
413.17929	5.2
445.78470	0.5
519.29437	7.7
691.40302	100.0
692.40637	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05505	1.6
57.03440	1.1
61.02935	4.1
61.67667	0.4
67.05507	7.9
68.90879	0.3
69.03431	2.2
69.07063	1.4
71.05003	0.6
71.22408	0.9
73.02924	3.0
78.63712	0.3
79.05507	2.3
81.03413	1.4
81.07045	3.8
83.04990	0.5
85.02913	4.2
89.42072	0.4
91.03947	1.7
91.05484	2.3
93.07029	2.7
95.08630	2.3
97.02895	3.9
99.04443	0.9
101.02380	1.7
103.03957	0.5
105.07047	1.5
107.08601	1.0
109.02891	0.9
109.10161	6.6
109.10850	0.6
117.06970	0.6
119.08599	1.0
121.10149	1.0
127.03916	1.6
131.08548	0.5
133.10112	0.9
135.11746	0.7
137.09586	0.5
141.14984	0.4
145.10136	0.4
155.10652	0.8
156.15662	0.4
159.11691	0.5
173.11804	1.3
185.04311	0.6
229.14442	1.1
243.08496	1.7
295.94461	0.4
325.83008	0.4
335.25937	0.5
413.17859	9.5
519.29437	4.6
691.40283	100.0
692.40729	4.6
693.99506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01870	4.2
55.05514	31.1
57.03442	16.9
63.23892	1.9
65.03934	5.9
67.05509	79.9
68.15125	1.8
69.03433	19.6
69.07081	26.5
71.04977	5.1
77.03922	2.1
79.05029	2.0
79.05497	59.7
81.03420	43.2
81.07059	100.0
83.04993	31.4
83.08623	14.7
85.02916	11.0
85.06527	3.6
91.05489	46.3
93.07050	70.0
95.05000	9.7
95.08612	52.8
97.02898	12.7
97.06541	8.4
97.10141	3.4
99.04462	7.3
99.08098	4.1
103.05483	2.2
105.04507	3.5
105.07038	28.4
107.04948	7.8
107.08600	39.1
108.00985	2.1
109.02892	4.2
109.06498	5.2
109.10165	21.1
111.04459	6.0
111.08068	5.8
117.07004	16.7
119.08575	23.7
121.06567	4.7
121.10148	29.5
123.08018	3.7
123.11729	7.9
123.76345	1.9
127.03912	7.0
128.06219	2.1
129.05508	16.3
129.06985	6.9
131.08604	20.6
133.10127	19.0
135.08098	3.4
135.11694	15.9
137.09624	3.2
141.06990	3.6
143.08588	5.8
145.10150	12.5
147.11703	14.4
149.09647	3.5
149.13266	22.9
154.07867	2.0
155.08549	3.6
157.10153	5.1
159.11687	20.4
161.09613	2.1
161.13268	7.0
163.11189	2.2
165.12788	4.8
169.10126	3.6
171.11702	4.3
173.04489	3.7
173.13301	6.9
175.14883	3.0
177.12813	6.0
183.11659	4.4
185.09586	2.1
185.13242	4.8
195.11874	2.4
195.13770	11.4
209.13229	2.6
211.14760	2.2
230.11732	2.3
233.15367	3.1
243.13632	2.4
243.21178	3.5
244.23845	2.2
259.20715	2.9
261.22098	10.3
267.15988	7.7
269.17496	21.4
275.16498	2.3
301.21573	2.2
335.25797	46.4
337.27365	2.4
339.18048	3.8
351.23346	3.0
369.24164	2.8
387.25394	2.4
413.21848	10.7
443.28287	2.5
510.56802	2.2
529.38916	58.9
530.39087	3.5
547.40131	3.4
673.43390	11.5
691.34949	2.0
691.44031	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01875	5.2
55.05505	32.4
57.03427	12.7
57.07070	7.2
65.03934	3.8
67.05504	89.8
69.03413	21.0
69.07066	26.4
69.42182	19.0
71.01364	3.3
71.04995	8.9
77.45709	2.8
79.05493	63.1
81.02981	5.5
81.03415	40.5
81.06597	6.2
81.07057	100.0
81.07533	5.7
83.04990	27.4
83.08614	17.3
85.02887	8.4
85.06538	11.2
91.05479	41.1
93.06116	3.0
93.07046	74.1
95.04947	16.7
95.08613	56.6
97.02878	15.3
97.06517	10.3
97.10155	6.7
98.98418	4.0
99.04451	9.2
105.07034	42.6
107.04942	5.4
107.08595	40.3
109.02859	8.6
109.06490	6.7
109.10159	20.9
111.04456	5.7
111.08092	4.4
116.62537	3.2
117.07032	26.4
119.08562	25.6
121.06484	4.5
121.10136	26.6
123.08061	7.3
123.11691	9.0
127.03922	9.3
128.06255	3.1
129.05469	8.1
129.06981	10.9
131.08577	29.1
133.10130	22.0
135.08035	5.9
135.11674	13.1
136.45743	2.9
137.09621	3.4
139.11131	4.5
143.08536	11.6
145.06555	3.2
145.08565	3.6
145.10136	14.5
147.08026	4.2
147.11679	16.9
149.09636	5.5
149.13258	26.8
155.08490	4.8
157.10127	10.0
159.11699	18.3
161.13297	9.2
163.14861	4.8
165.12798	7.2
167.08594	3.9
169.10152	5.0
171.08098	3.1
171.11700	8.7
173.13258	9.3
177.12695	6.1
183.11688	5.3
185.13318	5.4
187.14859	4.6
195.13780	13.1
197.13309	3.1
215.14191	4.1
252.50505	3.6
261.22049	5.2
267.15851	4.7
269.17468	25.6
301.21686	3.5
317.24631	3.4
327.23132	4.5
335.25879	25.3
339.17902	4.3
351.23401	3.7
369.23972	4.5
383.27563	5.4
395.20532	3.4
413.21542	6.0
443.27820	3.7
461.29016	3.3
471.85773	3.5
479.30069	4.5
529.38940	41.9
547.39771	4.7
557.38342	3.5
593.45587	5.3
655.41541	3.8
673.42847	14.2
691.43658	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.7
55.01870	2.8
55.05516	25.4
57.03434	9.6
57.07071	4.8
59.04988	2.2
59.65094	1.7
61.02938	2.5
65.03929	5.9
67.05507	88.3
69.03431	31.6
69.07075	23.1
71.04999	10.6
71.48663	2.9
73.02908	3.7
73.34438	1.9
75.67809	1.7
77.03917	1.7
79.05495	52.2
81.03424	52.0
81.07056	100.0
83.04981	22.6
83.08618	12.4
85.02904	12.2
85.06532	8.2
87.04475	3.0
91.05485	46.6
93.07047	65.8
95.04982	13.5
95.08604	43.7
97.02892	14.2
97.06570	9.9
97.10159	3.5
99.04454	6.9
99.08121	3.1
105.04523	2.9
105.07030	31.5
106.57330	2.2
107.04964	9.2
107.08594	34.8
109.02898	11.5
109.06514	5.5
109.10147	17.6
111.04446	7.8
111.08097	5.1
112.56609	1.7
117.07008	17.0
119.08575	17.8
121.06502	3.1
121.10150	24.7
123.08110	2.1
123.11709	8.4
127.03936	11.7
129.05478	7.5
129.06993	9.2
131.08562	20.8
133.06418	3.0
133.10147	18.5
135.08035	5.5
135.11694	16.9
137.06007	3.0
139.11211	2.4
141.06979	2.4
143.08586	6.4
145.05095	1.8
145.06429	2.3
145.10106	10.8
147.11664	17.2
149.09613	4.6
149.13240	18.6
151.11179	2.4
155.08545	3.3
157.10144	4.7
159.11702	19.6
161.13287	6.9
163.11192	3.7
163.14810	2.3
165.12714	3.5
169.10152	3.5
171.11688	5.7
173.04472	16.7
173.13362	2.5
175.14842	3.9
177.12798	9.5
181.40634	1.9
183.11697	3.6
185.13367	2.3
187.13327	3.6
187.14867	2.4
195.12299	1.8
195.13823	14.2
197.13351	2.5
199.14754	2.8
201.16414	2.5
213.14871	3.7
237.79889	2.1
243.15970	5.6
259.20441	3.4
261.22162	6.8
267.15897	3.7
269.17511	14.9
301.21548	2.6
335.25754	17.7
339.18015	7.5
369.24249	4.6
373.07513	2.1
387.25275	2.9
395.20612	2.6
405.26465	1.8
413.21890	11.6
503.37262	19.5
529.38873	14.6
547.39850	2.6
637.42004	2.6
673.42639	7.6
691.42462	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94730	1.4
53.03941	6.5
55.01868	5.2
55.05510	14.1
57.03437	14.2
59.38145	1.4
61.02919	4.6
65.03944	1.5
67.05517	18.8
69.03414	7.1
69.07073	7.6
69.39541	8.4
69.39946	3.0
70.16552	1.8
70.76174	1.5
71.04989	3.7
71.75738	1.5
73.02922	2.2
79.05500	20.5
81.03424	57.3
81.06593	2.3
81.07058	30.1
82.07388	1.4
83.04998	13.3
83.08628	18.1
85.02911	28.2
85.06551	2.3
86.06078	7.1
91.03934	1.9
91.05488	26.1
93.07051	17.7
95.04978	21.9
95.08604	10.3
96.08143	3.8
97.02882	6.3
97.06518	4.8
97.10141	2.8
98.09659	2.2
98.20776	3.3
101.03543	1.3
101.99874	1.6
103.05484	3.1
105.07026	20.2
107.04961	100.0
107.08581	7.4
108.05320	1.8
109.02904	1.5
109.06527	5.7
109.10169	4.2
110.09674	1.7
111.04440	3.0
111.08104	11.3
111.16125	1.4
116.10753	9.1
117.06992	2.3
117.11046	1.6
119.08593	17.4
121.06518	3.2
121.10152	11.1
123.08089	3.0
123.11681	2.0
125.09644	2.5
127.03944	2.4
129.07027	10.6
131.04926	9.9
131.08580	9.7
132.05251	1.8
133.06525	4.0
133.10150	12.6
135.08101	1.6
137.09639	3.4
142.07704	2.3
142.08656	5.2
143.08559	1.8
145.10107	3.3
147.08073	3.7
147.11687	16.5
148.06152	1.6
148.07504	2.0
149.09625	6.0
149.13300	2.5
157.10161	15.1
159.22128	1.6
163.11166	1.8
165.12726	2.3
175.11160	13.5
189.08836	1.5
190.70363	1.6
193.10461	2.5
193.12254	41.7
204.44823	1.5
211.13306	66.8
212.16473	27.0
238.17973	7.4
248.27605	1.5
256.19073	20.5
267.15958	30.4
285.16980	58.4
304.85910	1.8
328.24835	5.8
329.25031	5.9
330.25345	5.0
365.97696	1.5
367.23050	1.5
385.23788	2.0
424.30557	16.5
433.25729	1.5
438.43533	1.7
459.27505	15.1
466.50613	1.9
477.28577	18.1
495.29559	48.6
530.34540	2.4
578.30878	2.4
586.36096	2.8
679.01428	1.7
692.40125	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	692.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.03929	3.0
55.01869	1.8
55.05273	1.2
55.05514	13.9
57.03439	5.7
57.07077	1.0
61.02910	3.5
61.86732	0.9
65.03934	1.7
67.05505	58.4
69.03435	1.9
69.06738	1.1
69.07073	14.9
71.04994	14.6
71.47256	0.7
71.49039	0.7
71.49426	1.1
72.63289	0.9
73.02911	1.5
79.05497	26.0
80.05811	0.9
81.03416	2.6
81.07056	79.8
82.07403	0.9
83.04986	4.5
83.08617	11.2
85.02896	4.4
85.06544	6.3
87.04465	1.3
88.29303	0.8
91.03960	1.6
91.05479	21.7
93.07044	38.8
95.04947	3.2
95.08607	16.4
97.02881	2.8
97.06532	8.0
97.10162	3.0
97.76007	0.9
99.04438	1.0
99.08113	0.9
105.04452	1.0
105.07034	7.6
107.04943	3.0
107.08591	19.6
109.06497	2.2
109.10158	10.5
111.08086	5.6
117.07018	6.6
119.08565	3.6
121.06519	0.9
121.10130	11.4
123.11713	9.4
125.09596	2.9
131.08588	5.2
133.10132	12.8
135.08061	1.9
135.11678	6.8
137.05969	2.5
139.11131	1.3
145.10126	1.7
147.11722	1.5
149.09593	1.2
149.13260	18.3
151.11165	4.2
159.11725	8.0
161.05946	1.4
163.11166	1.7
169.12201	1.4
173.11758	2.4
177.12701	4.1
183.13867	1.8
187.13287	2.7
193.12247	1.0
195.13788	8.4
212.19571	1.1
213.14876	2.2
225.14694	1.3
227.12859	1.1
229.14342	8.1
267.15753	1.4
269.17471	26.1
273.18652	1.0
295.94827	0.8
301.16446	3.6
301.20074	5.9
320.12360	0.9
423.27417	5.7
437.28986	39.1
438.29471	1.2
451.30551	6.5
463.30548	100.0
464.30902	4.6
477.17215	1.0
495.33606	28.2
496.33664	1.1
509.19574	2.0
513.30292	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	694.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.62991	0.4
53.03952	2.0
53.04169	0.4
55.01873	1.7
55.05510	0.4
56.21302	0.4
57.03439	0.5
59.40712	0.4
59.69816	0.4
67.05500	2.1
69.03436	0.6
69.07068	10.7
70.01759	1.8
77.03943	0.8
79.05496	12.5
81.03421	0.5
81.07059	0.4
82.63000	0.5
95.04981	2.3
97.06532	84.6
98.06902	0.6
105.03412	0.6
105.04515	0.7
107.04957	82.1
108.05299	0.5
116.76498	0.4
123.04430	61.6
124.04803	0.7
201.09096	0.7
219.10165	100.0
220.10468	0.5
281.11694	0.5
285.01682	0.4
288.54871	0.4
303.43423	0.4
316.52930	0.4
325.14331	0.5
363.14288	0.7
440.17090	0.5
528.63177	0.4
533.30615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	13.3
57.03439	3.0
61.02916	5.2
68.32764	2.5
69.03421	8.9
69.80912	2.4
71.47693	3.8
78.81527	2.3
81.03362	2.8
85.02917	17.8
97.02893	9.2
98.97586	43.3
101.00890	21.2
104.15248	2.7
107.04959	48.9
109.02888	4.6
110.97572	11.7
113.00876	5.7
115.02470	2.4
116.98625	14.3
117.66253	2.6
119.01934	26.1
119.02744	3.9
120.14618	2.2
127.02393	3.2
127.03932	4.6
128.98596	9.1
131.00189	3.9
131.01895	9.6
133.03510	3.4
134.69055	2.3
143.00201	4.1
143.01898	21.7
145.01607	2.6
145.03453	18.1
145.05002	3.7
146.99585	4.2
147.04390	6.4
152.98550	2.8
155.01918	21.3
157.03448	10.6
158.99657	17.1
161.01183	3.5
161.02953	21.5
167.01872	12.4
169.03447	3.7
170.04865	2.7
170.99626	7.7
171.05136	3.0
173.02975	30.2
177.00688	7.2
179.01866	3.4
181.03418	5.1
185.02956	48.0
187.04422	2.7
189.00682	6.6
197.02919	16.2
199.02859	3.0
199.04579	4.8
201.00757	8.5
203.04015	12.4
205.03571	4.0
207.05042	3.9
208.04584	2.6
209.03011	4.9
215.04010	12.8
217.03569	7.2
219.01755	20.4
219.05093	5.0
221.01137	2.9
221.03151	4.1
221.05090	9.3
223.04529	16.9
225.06085	4.0
227.03931	12.4
229.03615	4.1
235.04588	20.9
235.98978	3.1
237.02820	23.3
237.06064	12.5
239.04216	4.1
241.05643	5.1
245.05070	100.0
245.07533	5.6
246.05309	3.5
247.04633	21.8
251.04048	13.9
257.05142	5.7
261.02908	5.7
263.03842	23.0
263.06223	11.2
265.05688	16.2
267.03418	8.1
269.05081	9.9
275.03702	19.6
275.06274	7.3
277.05493	7.6
279.03867	7.6
281.05084	35.0
282.01120	2.9
283.06625	3.9
287.05640	15.8
293.05029	59.5
305.07089	9.3
311.02847	4.1
311.06146	39.5
317.05331	3.6
319.07169	2.5
323.06100	9.2
329.07074	2.9
335.05951	15.4
346.04626	4.2
347.04526	9.7
353.07220	62.5
361.02295	5.3
365.09052	8.4
370.09122	3.2
371.03763	4.7
371.08231	71.3
387.05740	3.3
389.04489	4.8
389.09293	66.5
390.09598	3.5
413.09317	90.8
417.04370	3.2
431.10345	9.6
443.10583	19.1
444.06558	6.9
473.11588	32.7
485.10788	2.8
515.12592	37.3
533.13708	19.9
635.13202	5.0
695.18335	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05516	17.9
57.03427	4.9
57.07064	8.6
60.08149	3.8
61.02932	24.3
67.05509	52.1
69.03411	4.3
69.07074	24.3
71.08618	5.6
71.48771	3.7
73.02904	8.3
79.05501	19.0
80.19958	2.3
81.06596	3.8
81.07057	76.8
83.08630	15.4
85.02905	27.6
85.10188	2.8
86.09720	11.6
91.03954	25.2
91.05458	12.1
93.07044	20.0
95.08614	61.1
97.02898	12.2
97.06535	5.5
97.10159	9.2
99.08067	2.9
105.07023	9.4
107.04971	3.3
107.08603	16.3
109.10159	30.5
111.08076	3.3
111.11716	3.1
112.01616	2.4
115.03958	2.8
119.08569	9.7
121.10141	14.5
123.04434	2.5
123.11675	16.8
124.99982	2.8
127.03892	8.8
127.11143	2.5
133.10127	14.9
135.11688	9.9
137.13203	7.1
145.04958	11.4
147.11688	8.3
149.13252	9.7
151.11255	3.0
151.14859	4.3
161.13307	13.3
163.06023	18.6
163.14824	8.6
165.05521	2.8
165.16382	9.7
171.23410	2.2
175.14799	9.0
179.17999	5.2
182.08176	4.2
184.07358	33.3
189.16333	5.5
245.22679	63.5
262.24579	2.2
263.23721	100.0
337.27359	40.2
355.28479	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05511	20.2
57.03453	7.1
57.07077	11.8
61.02929	30.4
65.03915	1.8
67.05508	76.3
69.03413	3.4
69.07069	29.1
69.34563	11.5
71.04978	3.1
71.08620	6.6
73.02911	9.6
75.96973	1.6
79.05489	24.6
80.83723	1.4
81.03400	2.0
81.07056	94.3
83.04988	2.6
83.08620	24.8
85.02905	31.0
85.06510	2.4
85.10137	1.9
91.03952	24.7
91.05479	17.0
93.07046	28.9
95.08607	80.8
97.02888	15.5
97.06530	6.8
97.10179	15.7
98.00530	1.4
99.04460	1.6
99.08106	5.0
103.04026	2.0
105.07032	12.6
107.08606	17.3
109.06506	2.5
109.10163	41.7
111.08076	4.3
111.11699	3.8
113.09635	3.2
115.03933	2.3
119.08566	15.8
121.10140	20.9
123.11710	20.4
125.09647	2.5
125.13295	2.1
127.03918	7.6
127.11195	2.8
131.91838	1.5
133.10129	18.4
134.39197	1.7
135.11679	13.7
137.09608	2.8
137.13264	7.1
139.11176	1.6
141.12714	3.5
145.04980	14.1
147.11670	11.1
149.13274	10.6
151.14803	6.8
153.12796	1.6
155.14288	3.8
161.13248	15.8
163.06024	18.8
163.14851	11.7
165.16425	10.8
167.14299	2.5
175.14774	14.1
177.16432	2.4
179.14301	2.5
179.17976	9.0
184.07356	2.2
189.16338	5.7
193.15923	2.6
203.18011	2.8
207.17415	2.5
217.19643	3.0
245.22656	72.8
246.22884	2.1
251.16341	1.4
263.23703	100.0
264.24020	2.0
265.25211	1.5
281.24835	1.6
337.27368	77.4
355.28354	14.3
499.32532	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	697.3764
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03939	1.3
55.05507	0.9
57.03441	1.3
61.02931	4.9
67.05507	5.5
69.03437	2.3
69.07076	2.0
69.19534	0.7
70.82822	2.1
71.05001	4.2
71.23832	0.7
73.02922	3.0
73.67500	0.7
79.05488	3.7
81.03425	2.8
81.07058	8.7
82.00495	0.7
83.04987	1.0
83.08640	1.7
85.02912	4.1
91.03955	2.7
91.05484	3.7
93.07048	4.6
95.04971	0.8
95.08623	2.0
97.02904	3.7
97.06534	1.5
99.04501	0.7
101.02437	0.9
104.82619	0.7
105.07051	2.9
107.04985	1.2
107.08602	2.9
109.10167	1.2
115.26005	0.7
115.82117	0.9
117.07076	0.9
121.10153	1.5
123.11680	0.8
127.03957	1.7
131.08594	1.9
133.10167	2.8
135.11711	1.8
142.70866	0.7
149.13266	2.0
151.11252	1.0
159.11751	1.9
169.12209	0.9
171.98868	0.7
182.51886	0.8
185.04265	1.2
203.05254	0.8
243.08362	1.8
283.46780	0.7
329.79230	0.7
396.54034	0.9
453.21054	7.8
485.23679	7.1
567.31909	1.6
625.31818	4.3
697.37677	100.0
698.38440	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	698.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75166	0.6
55.05487	1.0
56.05038	69.7
57.05347	0.8
58.06586	1.6
61.01152	4.2
68.05017	1.1
69.03429	1.0
69.07076	1.5
69.40415	1.3
69.40823	3.7
70.06596	4.5
72.08149	1.3
74.06076	10.7
74.09709	0.9
79.05484	1.1
81.07053	1.1
84.04510	14.4
84.08143	5.8
84.55278	0.7
85.02895	2.2
86.09708	27.9
89.78372	0.7
91.05509	1.0
93.07054	0.7
95.04990	1.7
95.08624	0.9
98.06058	100.0
100.03995	3.4
101.07153	3.9
102.03740	0.9
102.05546	8.4
103.05474	1.7
103.83363	0.7
105.06995	0.9
107.04956	22.6
108.05278	1.9
111.04494	0.9
112.03986	0.9
112.07642	1.8
112.11253	1.6
120.08119	7.0
121.02991	0.7
121.10114	0.9
122.06020	2.1
124.11262	1.3
125.07121	2.2
126.05534	5.9
126.09108	1.0
130.04990	2.9
131.04926	2.5
137.06046	1.6
139.08675	2.8
140.07071	5.9
143.08138	5.2
144.06587	1.3
147.04495	1.6
148.04236	6.7
149.02673	2.6
150.05525	3.9
158.08136	1.9
162.05844	11.5
163.07506	0.9
166.08690	3.7
167.06891	1.3
167.08167	9.2
168.06569	1.9
169.13399	1.7
177.05490	0.9
185.09236	10.0
187.14420	9.6
190.05330	92.6
191.05554	0.8
195.07686	7.6
197.12842	1.1
203.10268	5.5
209.09279	1.3
213.08690	12.2
215.13925	5.6
227.10289	7.5
231.09833	3.9
233.16542	0.8
237.08797	1.3
238.49141	0.8
255.09767	6.7
279.16956	4.4
280.16666	1.3
292.13025	1.0
298.17618	1.0
301.08566	1.1
303.23242	0.9
308.16150	1.3
310.14111	1.2
319.09592	10.4
321.24408	0.8
326.17108	7.5
328.14734	0.8
338.13449	5.1
344.12277	0.8
344.18448	1.6
356.14490	2.0
374.13733	3.9
374.31317	1.3
376.11716	7.1
384.12061	1.8
392.14914	3.3
402.13297	67.0
403.13525	1.0
405.20856	0.9
420.14346	29.2
473.23492	1.1
487.22238	2.4
489.19769	1.1
491.25131	0.9
505.23856	0.9
515.21747	21.7
533.22711	1.8
680.29218	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	29.3
57.03429	8.7
57.07085	12.9
61.02933	26.9
67.05503	43.7
69.03430	4.3
69.06736	3.3
69.07071	45.5
70.22047	7.0
71.05006	3.5
71.08620	9.5
73.02932	9.8
73.03262	2.1
75.04469	3.5
79.05492	20.7
81.06591	3.4
81.07054	47.6
83.08620	39.2
83.46169	2.1
85.02898	30.6
85.10176	4.3
91.03954	29.0
91.05478	3.6
93.07043	29.3
95.08609	49.6
97.02895	16.5
97.06550	9.7
97.10167	26.2
99.08123	1.9
100.74673	2.3
107.08609	23.7
109.10165	27.1
111.08087	5.6
111.11722	9.2
121.10149	45.8
122.02386	2.1
122.04594	2.1
123.11703	9.8
125.13298	2.6
127.03939	11.7
135.11687	31.2
137.13260	4.5
139.11195	3.7
140.74261	2.1
145.04965	14.2
149.09764	2.0
149.13277	11.8
151.14841	7.4
163.06023	27.6
163.14804	6.4
165.16409	5.9
177.16283	2.5
191.17938	2.2
247.24203	34.8
265.25266	100.0
283.26321	24.4
339.28973	92.8
340.29398	4.2
357.29977	59.0
358.30020	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01869	1.1
55.05522	6.4
57.03432	1.1
57.07070	1.2
67.05505	5.9
67.63557	0.9
69.03452	4.3
69.07072	18.0
70.06586	1.4
70.53310	1.8
70.53675	1.6
71.04994	1.8
79.05505	5.3
81.03403	2.9
81.07057	16.3
83.04977	3.4
83.08608	2.5
84.08143	1.0
85.02916	7.3
85.06547	2.1
86.09724	1.0
87.00819	1.3
91.05495	6.3
93.07056	7.1
94.04186	4.3
95.04951	2.5
95.08608	9.8
97.02886	2.2
97.06535	1.4
97.10149	1.3
99.04445	0.9
99.08022	1.2
103.05459	1.2
105.01839	1.6
105.07045	7.5
107.04967	15.1
107.08584	8.4
108.05306	1.7
109.02847	3.0
109.06528	3.3
109.10163	8.5
110.07153	1.0
111.08108	2.5
111.11732	2.4
117.07005	2.2
119.04952	1.5
119.08583	5.3
121.06503	2.0
121.10151	8.5
122.03651	9.5
123.08089	7.0
123.11728	5.4
127.03931	4.7
127.11212	0.9
129.06978	1.1
131.04916	4.0
131.08522	2.5
133.06497	1.2
133.10146	6.2
135.08060	5.0
135.11694	4.6
137.05989	100.0
137.13298	1.2
138.06319	0.9
139.11156	2.2
141.06996	1.3
142.07800	1.8
143.08557	1.8
143.75883	0.8
145.06444	1.8
145.10146	4.3
147.04362	1.8
147.11690	5.0
149.05995	1.0
149.09590	3.9
149.13223	2.8
151.07553	4.4
151.11201	1.7
153.06987	1.5
155.08548	1.1
156.09259	1.1
157.10138	6.8
159.08110	1.2
159.11681	4.4
161.06003	2.8
161.09607	3.8
161.13219	2.8
163.07523	3.5
163.11168	3.3
163.14803	1.8
165.07016	1.4
165.12723	1.9
169.10037	1.1
171.11667	4.4
173.09665	1.6
173.13258	3.5
175.07513	1.0
175.11185	4.8
175.14827	1.5
177.05478	1.1
177.12718	3.1
179.07057	0.8
181.06473	2.4
183.11668	1.0
185.13326	1.3
187.07526	3.2
187.11159	0.9
187.14819	1.9
189.12692	4.2
191.14322	2.1
195.08051	1.3
196.61058	1.0
197.13254	0.9
199.07477	1.5
199.11261	1.1
203.14302	1.1
211.07616	1.8
211.14819	1.6
213.09108	2.7
213.16385	1.9
215.10634	0.9
221.06003	1.4
223.07483	1.2
225.09038	1.9
225.16301	0.9
227.10577	1.0
229.08594	1.8
229.15881	1.1
229.19608	1.0
231.17453	2.2
237.09070	0.9
237.16341	0.9
239.20129	1.0
241.08365	1.4
241.19437	0.9
243.10272	1.0
245.19012	2.8
247.20563	1.0
253.08713	1.7
255.17351	2.1
257.19046	1.0
259.09644	0.9
259.20654	2.8
267.10242	1.3
273.18417	3.4
275.20059	1.5
277.21664	1.0
285.11334	5.5
287.12976	1.2
287.20053	1.8
289.08533	0.9
297.11154	1.3
309.11188	0.9
317.24582	1.4
322.28131	1.1
323.12781	2.0
329.11649	1.2
347.12903	1.1
349.14548	1.9
351.15884	2.1
361.14545	1.2
363.75610	0.9
379.15143	1.7
379.29883	2.5
397.16299	2.2
397.30881	7.9
415.32132	19.4
431.14694	1.1
433.33148	31.9
443.74554	1.1
451.34448	6.8
465.16971	1.0
501.19229	1.2
515.20618	1.2
527.20660	1.4
531.37347	0.9
533.21783	1.1
639.05481	0.8
651.25464	2.9
663.24829	1.4
681.27020	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	699.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01868	4.0
55.05516	16.1
57.03443	2.1
57.07070	4.4
59.04972	2.8
67.05501	16.9
69.03445	13.0
69.07071	52.0
69.71191	1.5
70.06581	2.7
71.03024	3.0
71.04999	4.2
73.02910	1.4
79.05493	11.8
81.03411	8.2
81.07060	41.2
81.07532	2.2
81.20176	1.3
83.04987	13.2
83.08615	8.4
85.02906	19.1
85.06541	4.2
86.09741	1.7
87.00811	6.5
88.87712	1.5
91.05478	12.6
93.07038	26.4
94.04192	2.6
95.04977	3.6
95.08611	29.5
97.02904	4.9
97.06516	7.3
97.10178	2.3
99.04436	3.5
99.08097	4.1
105.01875	4.2
105.07027	16.8
107.04967	16.2
107.08609	22.7
108.05283	2.3
109.02897	7.6
109.06526	5.4
109.10172	23.1
111.08104	6.3
111.11726	7.0
113.09645	1.6
117.07025	3.5
119.05004	1.9
119.08577	16.5
121.06532	2.9
121.10143	24.3
122.03658	4.7
123.08067	25.2
123.11707	17.7
125.09597	2.6
127.03912	9.9
127.11226	4.5
129.07007	2.2
130.07872	2.1
131.04935	4.5
131.08560	7.2
133.06476	1.8
133.10132	16.2
135.08064	14.5
135.11674	11.7
137.05983	55.4
137.09622	7.5
137.13266	3.5
139.11156	5.5
142.07813	3.2
143.08575	5.3
144.09346	1.7
145.05009	2.0
145.10139	12.7
147.08014	2.5
147.11693	12.3
149.09615	8.3
149.13246	6.5
151.07552	3.0
151.11227	4.0
155.08568	1.8
156.09381	3.8
157.10129	23.6
157.12170	1.8
159.02861	2.6
159.11700	14.3
161.09624	9.6
161.13261	8.4
163.07462	1.7
163.11165	8.5
163.14812	3.4
163.36652	1.7
165.12758	5.0
167.07065	1.8
169.10062	2.8
170.10934	1.5
171.11688	14.6
173.09657	4.0
173.13229	12.2
174.10481	1.8
175.11189	12.7
175.14870	2.3
176.11879	1.7
177.12779	6.5
179.14325	2.7
183.11720	2.5
185.13239	3.2
187.07574	1.9
187.11217	3.1
187.14806	2.8
189.12701	8.8
189.16312	1.7
191.14316	5.7
193.15663	1.8
195.11591	2.1
201.16385	2.9
203.14302	3.8
203.18036	2.5
211.14828	5.3
213.09167	2.8
213.16328	3.1
225.16405	2.5
227.17961	5.5
229.15866	2.2
231.04977	2.1
231.17455	5.4
237.16248	2.0
237.18481	2.0
241.19568	2.9
243.17471	4.0
245.19025	8.9
247.20438	2.5
255.17366	6.7
259.20633	9.5
273.18549	10.3
275.20068	3.3
285.11084	4.0
287.20068	5.2
287.23523	1.6
305.21094	1.7
317.24756	5.5
329.11215	1.4
379.29880	9.5
397.16901	1.8
397.30991	29.2
415.32089	51.7
416.32599	2.1
433.33142	100.0
434.33447	2.8
451.34183	18.2
506.96570	1.6
591.89557	1.6
651.26056	2.0
681.26532	5.6
699.33893	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	700.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10208	0.3
53.03943	0.5
54.04208	0.3
55.01864	0.6
57.03439	1.2
57.07076	24.3
61.02924	2.2
66.28134	0.4
67.05486	0.8
69.03422	4.1
69.07076	0.4
70.06586	1.5
71.04994	0.8
71.48252	0.4
71.48694	0.4
73.02902	0.7
74.30436	0.3
79.05487	0.8
81.03403	2.0
81.07058	2.0
84.08162	0.4
85.02907	20.0
85.06543	100.0
85.78913	0.3
86.06900	0.8
86.09705	0.7
87.04474	0.5
91.03940	1.2
91.05485	0.9
93.07043	1.4
95.04962	0.7
95.08631	0.4
95.99474	0.3
97.02889	5.1
99.04452	1.1
102.77386	0.3
105.07015	0.7
107.04955	10.6
108.05302	0.8
109.02872	1.6
109.06510	1.8
109.10115	0.3
111.04424	0.7
113.02343	0.5
115.03909	0.5
116.10804	0.4
121.06497	0.4
121.10153	0.4
123.08007	0.6
123.11680	0.5
127.03944	4.6
127.07545	2.0
133.06538	0.5
137.05988	0.7
145.04959	7.1
145.08597	82.6
146.08875	0.6
147.08035	0.5
151.07504	0.6
151.11142	0.3
155.07014	0.9
163.06026	2.8
173.08133	0.8
191.09151	37.1
193.12245	0.5
199.79146	0.3
211.09729	0.7
211.13275	1.1
214.18004	0.8
229.10789	1.8
239.12831	0.4
247.11884	0.6
257.13855	16.6
325.11172	0.5
375.11395	0.3
377.10654	0.4
377.90900	0.4
414.28510	0.6
670.73993	0.4
701.49280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29067	0.5
55.05519	4.0
57.03434	3.3
57.07078	37.5
58.07418	0.5
61.02929	13.8
67.05508	10.6
69.03411	1.7
69.07070	7.2
71.08635	31.2
71.22335	0.7
73.02920	5.2
75.04491	2.3
76.23443	0.4
79.05480	1.0
81.03400	0.7
81.06597	0.9
81.07059	15.5
81.07534	0.9
82.07367	0.6
83.08621	9.0
85.02908	17.3
85.06543	0.8
85.10186	16.8
86.10444	0.5
87.04447	0.4
89.06007	0.8
91.03959	14.1
93.07038	0.7
93.43597	0.4
95.08611	24.1
97.02893	7.4
97.10172	10.7
99.04439	0.7
99.08101	0.6
99.11732	1.4
107.04916	0.4
109.02924	0.9
109.10162	11.2
111.11714	4.0
113.13240	0.6
115.03885	0.6
117.09077	0.9
121.10207	0.6
123.11707	5.7
125.13274	1.4
127.03925	5.1
137.13264	2.2
145.04968	7.4
151.14833	1.1
163.06030	12.2
165.16396	0.5
174.45975	0.5
191.58823	0.4
249.25816	1.9
267.26837	24.3
285.27863	4.5
341.30515	100.0
342.30743	1.8
359.31567	29.9
360.32278	0.5
426.47684	0.6
438.85889	0.6
571.58801	0.5
700.44525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05262	1.3
55.05505	6.3
56.05030	3.9
56.15503	0.8
56.22810	0.8
57.07072	4.2
60.04525	2.2
67.05505	14.8
68.05023	1.2
69.03419	1.9
69.07076	8.2
70.06593	2.9
71.08652	1.4
71.26509	1.3
77.39935	0.9
79.05497	13.1
80.05020	2.7
81.03405	1.3
81.05806	1.8
81.07060	12.3
82.06586	7.6
83.08620	4.7
85.02915	3.1
91.05488	10.1
93.07050	10.2
94.06574	20.2
95.04993	0.9
95.07365	9.8
95.08624	10.4
96.08140	5.7
97.02859	1.3
97.10167	2.0
102.76146	0.9
105.07027	6.7
107.08596	5.7
108.08128	3.8
109.10163	4.7
113.16806	1.1
119.08584	5.9
121.10146	5.1
122.09701	2.5
123.11687	1.5
125.83773	0.9
127.04008	1.0
133.10168	4.0
133.97940	0.8
135.11702	3.3
147.11703	1.2
149.13266	1.0
205.19554	0.9
212.38574	1.0
219.21049	4.6
227.30284	0.8
231.21063	5.6
236.23750	7.9
248.23752	100.0
249.24185	1.3
262.25339	10.0
266.24777	7.3
272.25848	4.0
353.34399	0.9
406.94830	0.9
490.46329	6.2
501.26398	1.0
502.46213	26.5
503.46582	1.1
504.48135	4.6
520.47247	16.7
571.46674	1.4
611.11621	0.8
682.53229	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	701.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78975	1.0
53.27481	1.0
55.05513	1.9
57.02300	1.2
57.07067	1.7
67.05492	4.5
69.07046	3.5
71.08603	1.2
71.49179	1.7
75.51349	0.9
78.29895	0.8
79.05504	2.8
81.07050	3.0
83.08611	1.6
87.63566	1.0
91.05473	1.6
93.07037	2.1
95.08595	3.0
97.10140	1.7
107.08576	1.5
113.00031	1.6
135.08078	1.2
145.10065	1.1
146.47079	1.1
146.48773	1.0
184.71793	1.0
277.21500	1.1
435.90350	1.1
572.47595	6.3
573.48987	2.9
589.47974	2.7
615.03619	1.3
701.55151	100.0
702.55170	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	4.2
55.05245	2.8
55.05513	51.0
56.79410	2.2
57.03442	15.3
57.07056	4.8
61.02918	4.3
63.84372	2.6
66.49913	2.9
67.05508	60.8
69.03418	10.5
69.07060	12.3
71.94005	2.4
72.92941	2.8
73.58086	2.5
79.05495	38.7
81.07060	47.3
83.04976	5.8
83.08617	32.3
85.02915	3.8
85.04669	2.4
85.06570	2.9
86.55383	2.3
89.06020	5.7
91.05489	18.8
93.07043	32.1
95.04956	4.5
95.08608	33.6
95.63367	2.8
97.06547	3.6
97.09550	4.1
97.10173	60.2
97.16188	2.6
101.09670	3.1
101.57898	2.4
105.07025	9.4
105.42403	2.4
107.08590	34.3
109.06522	3.1
109.10144	18.6
111.08088	3.1
117.07008	4.9
117.55978	2.5
119.08562	8.2
121.10181	19.5
123.11729	5.6
125.09630	61.8
129.07043	2.8
131.08559	8.8
133.08591	3.1
133.10118	6.4
135.08051	9.0
135.11710	7.8
143.08572	2.7
143.10655	3.3
145.10124	8.1
147.11731	5.0
149.13269	5.7
159.11700	7.3
161.13216	3.0
163.14880	4.6
165.30118	2.3
166.20695	2.7
171.10179	7.9
173.13231	4.3
189.11221	44.9
227.12767	78.6
227.20024	13.0
243.21100	6.5
245.13835	100.0
248.87267	3.3
250.68233	2.5
253.75838	2.4
261.22150	27.6
267.15802	3.4
279.23309	3.1
317.24615	4.9
335.25800	98.3
373.38818	2.9
393.59100	3.2
431.31409	2.9
468.37018	3.2
487.34103	7.1
505.35220	72.0
523.35913	4.0
698.53888	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	4.2
55.05245	2.8
55.05513	51.0
56.79410	2.2
57.03442	15.3
57.07056	4.8
61.02918	4.3
63.84372	2.6
66.49913	2.9
67.05508	60.8
69.03418	10.5
69.07060	12.3
71.94005	2.4
72.92941	2.8
73.58086	2.5
79.05495	38.7
81.07060	47.3
83.04976	5.8
83.08617	32.3
85.02915	3.8
85.04669	2.4
85.06570	2.9
86.55383	2.3
89.06020	5.7
91.05489	18.8
93.07043	32.1
95.04956	4.5
95.08608	33.6
95.63367	2.8
97.06547	3.6
97.09550	4.1
97.10173	60.2
97.16188	2.6
101.09670	3.1
101.57898	2.4
105.07025	9.4
105.42403	2.4
107.08590	34.3
109.06522	3.1
109.10144	18.6
111.08088	3.1
117.07008	4.9
117.55978	2.5
119.08562	8.2
121.10181	19.5
123.11729	5.6
125.09630	61.8
129.07043	2.8
131.08559	8.8
133.08591	3.1
133.10118	6.4
135.08051	9.0
135.11710	7.8
143.08572	2.7
143.10655	3.3
145.10124	8.1
147.11731	5.0
149.13269	5.7
159.11700	7.3
161.13216	3.0
163.14880	4.6
165.30118	2.3
166.20695	2.7
171.10179	7.9
173.13231	4.3
189.11221	44.9
227.12767	78.6
227.20024	13.0
243.21100	6.5
245.13835	100.0
248.87267	3.3
250.68233	2.5
253.75838	2.4
261.22150	27.6
267.15802	3.4
279.23309	3.1
317.24615	4.9
335.25800	98.3
373.38818	2.9
393.59100	3.2
431.31409	2.9
468.37018	3.2
487.34103	7.1
505.35220	72.0
523.35913	4.0
698.53888	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	703.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.6
55.01862	9.6
55.05521	42.7
57.03432	17.5
65.03950	7.7
67.05510	91.1
69.03436	10.6
69.07061	30.5
71.04981	7.0
71.48920	8.8
77.35635	5.2
79.05495	88.3
81.03428	15.6
81.07066	100.0
81.53976	5.3
83.04989	11.0
83.08620	27.8
85.02911	6.3
91.05482	78.9
93.07047	68.2
95.01332	19.4
95.04968	16.7
95.08618	66.4
97.02897	8.3
97.06533	7.9
97.10178	7.2
105.07034	68.1
107.04970	13.8
107.08588	47.7
109.02862	8.2
109.06509	7.3
109.10154	32.5
115.05468	10.0
117.07008	38.9
119.08593	55.5
121.10149	29.8
123.04446	7.4
123.08070	10.8
123.11713	8.1
125.09598	7.2
128.06274	6.1
129.05421	5.4
129.07011	46.7
131.08562	55.9
133.10139	42.1
135.08067	7.8
135.11688	23.2
137.09647	8.0
141.06990	14.0
142.07779	6.9
143.08598	38.0
145.06506	8.5
145.10130	49.0
147.11723	29.4
149.13318	11.5
154.17526	5.6
155.08586	21.1
157.10156	33.4
159.11711	32.9
161.06000	7.2
161.09625	6.5
161.13254	9.9
165.07028	8.4
167.08534	10.6
169.10136	28.6
171.11679	28.1
173.06073	5.6
173.13280	18.1
179.08499	8.1
181.10141	19.6
183.11674	17.1
185.09642	7.4
185.13287	24.7
187.14880	7.2
189.05467	6.9
193.10191	6.9
195.11873	9.0
197.09520	6.0
197.13240	10.7
199.11186	7.5
199.14767	6.9
207.11626	5.5
211.11208	7.5
211.14850	14.0
213.12808	6.0
221.04526	7.5
221.13292	6.3
223.14845	10.7
225.16296	8.8
236.40785	5.6
259.20715	7.6
261.22186	17.8
269.11465	6.2
275.20117	8.8
287.12970	6.6
291.19604	8.5
315.12158	10.3
333.13394	42.2
333.24240	8.3
335.26028	27.3
353.15884	6.0
417.31116	9.1
425.18289	7.0
435.32681	20.6
437.33673	7.3
509.36227	10.8
527.37317	75.2
528.37958	36.5
529.39398	12.0
540.54456	6.5
575.33661	10.2
593.34412	16.0
611.35712	33.9
667.38135	13.0
685.39734	40.7
703.40088	64.0
704.41656	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	703.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	2.3
51.02379	2.9
51.04735	2.3
52.29634	2.0
53.03949	16.8
55.01871	6.6
55.05517	32.1
57.03442	21.0
57.07067	3.6
57.65078	2.3
65.03929	8.8
67.05506	100.0
67.52917	2.3
69.03426	32.7
69.07068	27.0
69.74754	12.2
71.04998	4.3
79.05495	90.5
81.03420	48.9
81.06599	5.6
81.07059	89.7
83.04977	25.9
83.08620	13.1
83.78970	2.4
85.02914	20.5
85.06548	4.0
89.06020	4.1
91.05486	82.1
93.07046	94.1
95.04975	23.1
95.08611	60.1
97.02899	12.7
97.06533	7.7
97.10188	6.7
98.20847	3.4
99.04449	5.5
99.08048	2.7
101.02339	3.0
103.03970	3.3
103.05455	4.9
105.03407	2.7
105.04513	4.1
105.07037	57.9
107.04977	11.9
107.08601	36.0
109.02886	4.6
109.06517	6.9
109.10160	17.4
111.08061	5.5
115.05437	3.5
117.07013	31.2
119.04974	2.7
119.08578	35.0
121.06516	6.0
121.10145	19.9
123.08047	4.7
123.11684	6.0
127.03935	9.4
128.06187	7.8
129.05490	4.1
129.07030	23.7
129.64439	2.3
131.04904	2.4
131.08572	26.6
133.06491	7.4
133.10117	20.4
135.08054	5.9
135.11693	14.3
143.08595	17.7
145.06448	6.0
145.10089	17.5
147.08069	5.0
147.11703	26.2
147.86775	2.5
149.13240	8.9
155.08548	3.0
157.06528	3.6
157.10086	7.0
159.08043	5.4
159.11659	9.0
161.09674	3.8
161.13284	10.1
163.14885	4.4
167.08528	5.0
169.10133	3.6
171.08113	3.7
171.11685	15.8
173.04414	4.9
173.09706	3.3
173.13293	5.2
175.14833	3.7
183.11691	2.7
185.13237	6.1
187.14783	3.3
189.12749	9.5
195.11559	2.8
197.09662	2.8
199.14885	3.0
203.14314	3.9
207.13773	18.2
237.51016	2.5
247.16983	2.6
259.17035	5.4
259.20605	3.3
261.22198	6.1
269.15332	4.8
281.17450	17.7
287.16528	14.4
298.37109	2.4
335.25809	70.9
349.21078	2.7
425.21649	4.8
541.38953	38.3
593.41608	2.7
621.41119	3.8
685.41827	4.0
703.46570	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	703.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.5
53.03948	13.5
55.01868	6.2
55.05281	1.4
55.05515	21.4
57.03439	9.5
57.07088	1.6
65.03935	5.0
67.05504	67.8
69.03430	8.6
69.07069	15.8
69.25774	3.8
69.26186	10.0
71.04980	5.2
79.05493	97.1
81.03419	26.8
81.07056	64.6
83.04976	9.1
83.08616	7.2
85.02911	11.4
85.06541	3.2
87.04475	2.7
89.06042	4.1
91.05482	80.8
93.07045	100.0
95.04964	22.6
95.08603	41.6
97.02893	7.1
97.06528	5.7
97.10176	2.8
98.21629	1.5
99.04451	5.7
103.03930	5.1
103.05425	1.9
105.04499	4.8
105.07032	62.7
107.04951	14.4
107.08595	29.3
109.02871	18.8
109.06516	5.9
109.10160	8.4
111.08115	2.0
117.07030	15.9
119.08582	30.8
121.06490	4.8
121.10143	11.0
123.08033	7.5
123.11692	2.1
127.03912	44.9
128.06195	4.0
129.06996	27.1
131.08566	7.5
133.06476	1.9
133.08583	3.5
133.10139	16.0
135.11681	6.0
143.08565	12.0
145.10130	18.1
147.07997	2.4
147.10513	2.7
147.11685	55.7
149.09494	1.9
149.13220	3.4
158.64679	1.5
159.11693	4.0
161.09618	6.0
161.13271	18.5
171.11700	46.8
183.06552	7.8
189.12747	18.7
201.07420	2.1
207.13803	77.6
225.14796	2.8
261.22052	3.6
281.17554	3.4
335.25806	59.6
351.18002	13.7
363.25430	2.1
381.99954	1.8
549.83398	1.8
685.43256	1.6
703.47168	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	704.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.4
55.05510	8.6
57.03439	13.1
57.06842	1.7
57.07084	27.4
59.59493	1.5
61.02919	2.6
67.05508	36.9
69.03426	2.0
69.07075	18.8
71.04987	2.2
71.08644	18.2
79.05494	17.4
81.06596	2.8
81.07062	50.7
83.04969	2.8
83.08623	13.2
85.02917	3.1
85.06553	3.4
85.10194	9.7
89.06026	2.1
91.05493	7.1
93.07055	29.3
95.04935	2.1
95.08617	23.2
97.06524	6.7
97.10181	3.2
98.21562	3.4
99.08096	2.3
101.84937	1.3
105.07029	5.2
107.08609	17.5
108.54174	1.8
109.10149	6.8
111.08075	4.4
115.53978	1.5
117.07042	3.6
121.10168	7.9
123.11682	4.5
131.08542	4.3
133.10136	3.6
134.85596	1.5
135.11655	3.4
149.13263	18.2
159.11713	8.5
173.37952	1.5
177.12686	2.9
185.78899	1.7
195.13826	7.4
219.61372	1.5
269.17511	100.0
302.86975	1.6
313.27368	51.1
379.84598	1.6
410.67178	1.5
444.52130	1.8
507.40512	94.0
508.40463	2.8
575.49908	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	705.4028
Annotation	Voacamidine
Peak:m/z	Relative Intensity
55.05504	1.2
61.18175	0.3
67.05508	2.0
69.03428	0.4
69.07056	1.0
70.10743	1.4
71.04988	0.6
79.05481	1.7
81.03436	0.6
81.07057	1.9
83.08640	0.5
87.04490	0.5
91.05488	1.6
93.07058	2.1
95.08624	1.0
105.07034	1.5
107.08624	1.1
109.02908	0.4
109.10178	0.9
116.28748	0.3
117.07038	0.5
119.08569	1.2
121.06573	0.5
121.10117	0.8
125.09543	0.5
131.08534	0.8
133.08545	0.4
133.10153	0.9
134.43768	0.3
135.11713	0.7
145.10150	0.5
147.11711	0.7
159.11707	0.6
182.14029	0.4
185.04271	0.9
203.05389	0.6
207.05235	0.4
209.11708	0.4
258.08728	0.3
259.07944	0.8
262.47552	0.3
347.09537	1.1
543.35065	22.3
544.35266	0.7
555.57697	0.4
705.40308	100.0
706.40631	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	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99513	0.7
71.47470	1.2
82.99837	1.3
85.02925	1.8
90.31522	0.7
97.02905	1.4
98.97556	0.8
101.00882	5.2
113.00882	1.5
119.01932	10.3
122.01389	1.4
122.79541	0.7
127.02426	1.8
127.03922	0.8
128.01384	1.5
131.01917	5.5
137.01915	2.6
143.01897	19.1
143.02922	1.5
145.03470	6.8
149.01949	1.3
152.02455	1.6
153.04103	0.8
155.01898	11.9
157.03484	4.9
160.42027	0.9
161.02960	13.4
163.04567	0.9
164.02441	1.4
167.01895	7.6
169.03499	2.9
171.05086	1.9
173.02983	17.2
179.01921	2.9
182.03574	1.5
185.02963	33.7
186.03139	1.7
187.04561	3.2
193.73911	0.8
197.02965	12.7
203.03996	11.2
203.53979	1.1
209.02902	1.9
215.03976	8.1
219.01851	1.2
221.05000	1.3
227.04022	8.0
233.05321	0.8
245.05087	100.0
246.05252	3.4
254.05667	1.6
257.05078	4.6
263.06171	12.9
275.06125	10.2
284.06699	3.2
293.07175	2.8
299.18448	1.0
305.07214	11.0
314.40460	0.9
335.08255	4.3
347.08209	1.0
365.09317	47.8
366.09506	1.4
380.52734	0.8
383.10495	1.8
407.10162	1.1
425.11441	37.8
426.11771	1.6
430.82935	0.9
437.11310	2.2
455.12408	2.1
531.53076	0.9
535.65717	1.7
536.15710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.8
61.02914	0.6
62.51761	0.5
69.03419	1.8
70.87355	0.6
70.87700	1.2
73.02912	0.5
81.03431	1.0
82.99898	1.6
85.02900	2.6
94.99875	0.6
95.04975	1.4
97.02894	2.3
98.97607	3.2
101.00893	6.5
105.00373	0.5
107.04963	4.0
109.31221	0.5
110.23351	0.5
112.54504	0.6
113.00866	1.2
116.98595	1.2
119.01930	9.6
122.01357	0.9
127.02401	1.9
127.03907	1.1
128.98665	0.9
129.00398	0.6
129.03952	0.6
131.01918	5.3
133.03453	0.6
137.01909	1.6
137.02934	1.1
139.02420	0.7
143.01897	18.1
145.03458	7.8
145.04979	1.2
147.01385	1.1
149.01945	0.6
152.02394	0.8
155.01888	11.0
157.03491	4.2
158.99677	1.3
161.02963	14.4
163.04453	0.8
167.01910	8.4
169.03458	2.9
170.99768	1.0
171.05014	2.7
173.02969	15.3
175.04651	1.2
177.00732	0.6
179.01811	3.6
185.02969	33.1
186.03151	0.9
187.04532	4.0
191.03999	0.8
194.03510	0.7
197.02959	12.9
199.04648	1.1
203.02281	0.4
203.04007	10.2
209.03020	1.4
215.04028	7.3
219.01770	2.1
221.05128	1.7
224.04486	0.9
227.04033	6.8
237.02849	2.0
239.04031	1.5
245.05090	100.0
246.05304	2.9
257.05042	4.6
261.02850	1.0
263.06140	10.9
275.06171	11.1
279.03995	0.9
284.06827	1.7
287.05759	2.3
293.07376	2.7
295.06241	0.6
305.07227	12.4
305.10449	0.8
317.07169	0.8
325.13300	0.6
335.08279	3.6
337.09708	0.7
347.08310	1.1
351.16577	0.7
362.09860	1.0
365.09332	40.5
366.09607	1.1
367.06729	0.7
383.10138	2.3
393.17654	0.9
407.10663	1.0
411.18665	2.2
425.11459	30.8
426.11813	1.0
437.11514	2.5
455.12585	1.5
485.13232	0.9
535.65796	1.1
573.24249	0.8
707.19507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
67.05502	7.2
69.07057	2.6
69.28815	3.5
69.29214	14.5
79.05489	5.6
80.60199	1.9
81.03409	2.3
81.07043	8.1
84.41067	1.8
86.59427	1.7
87.04470	7.1
91.05491	4.5
93.07045	5.0
95.04956	2.1
95.08608	8.6
105.07043	5.2
107.04975	2.5
107.08585	3.9
109.10169	3.7
117.07065	2.2
119.08588	4.0
131.08565	3.0
133.10132	2.0
143.08669	2.3
147.11754	2.8
183.38185	2.1
284.50702	2.1
335.48871	2.1
397.57785	1.9
707.37561	100.0
708.38007	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	709.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.97079	1.8
55.05515	24.5
57.03440	16.9
57.07064	2.6
58.09569	1.8
59.04981	2.6
65.03941	4.2
66.76792	1.8
67.05509	77.8
68.82122	1.8
69.03440	15.6
69.07066	20.9
69.29968	2.0
70.13385	9.2
71.04990	7.5
79.05496	39.0
81.03420	22.3
81.07061	100.0
83.04970	14.9
83.08617	8.3
85.02885	4.0
85.06533	7.0
87.04469	2.1
91.05490	24.3
93.07053	43.8
95.04980	7.5
95.08614	37.6
97.02880	10.4
97.06525	7.1
97.10163	2.2
98.21403	3.2
99.04446	3.4
105.07040	17.8
107.04961	10.1
107.08598	25.8
109.02876	5.2
109.06522	3.6
109.10185	13.0
111.04433	3.8
117.07056	5.9
119.08591	11.5
121.10155	17.5
123.11720	11.5
125.13342	2.3
127.03893	5.0
128.06189	2.4
129.05455	7.5
129.06970	2.5
131.08568	18.7
133.10143	17.8
135.11760	10.5
137.13269	2.3
143.08524	2.9
145.10100	8.5
147.11674	10.1
149.09729	2.0
149.13298	11.5
151.11198	2.7
157.10080	2.4
159.11713	14.2
163.14764	2.4
173.04474	8.4
173.13286	4.8
177.12747	7.0
187.13319	7.9
187.91052	2.0
195.13852	6.1
197.13072	2.2
200.67563	2.2
241.14204	2.6
243.15932	24.8
261.22141	6.9
269.17429	15.9
287.18570	2.4
335.22052	4.0
335.25818	56.1
336.25842	2.5
369.24081	2.4
413.21915	4.6
431.22714	7.0
503.37289	50.8
529.38934	13.2
547.39819	6.1
673.42584	3.0
691.44263	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	709.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.97079	1.8
55.05515	24.5
57.03440	16.9
57.07064	2.6
58.09569	1.8
59.04981	2.6
65.03941	4.2
66.76792	1.8
67.05509	77.8
68.82122	1.8
69.03440	15.6
69.07066	20.9
69.29968	2.0
70.13385	9.2
71.04990	7.5
79.05496	39.0
81.03420	22.3
81.07061	100.0
83.04970	14.9
83.08617	8.3
85.02885	4.0
85.06533	7.0
87.04469	2.1
91.05490	24.3
93.07053	43.8
95.04980	7.5
95.08614	37.6
97.02880	10.4
97.06525	7.1
97.10163	2.2
98.21403	3.2
99.04446	3.4
105.07040	17.8
107.04961	10.1
107.08598	25.8
109.02876	5.2
109.06522	3.6
109.10185	13.0
111.04433	3.8
117.07056	5.9
119.08591	11.5
121.10155	17.5
123.11720	11.5
125.13342	2.3
127.03893	5.0
128.06189	2.4
129.05455	7.5
129.06970	2.5
131.08568	18.7
133.10143	17.8
135.11760	10.5
137.13269	2.3
143.08524	2.9
145.10100	8.5
147.11674	10.1
149.09729	2.0
149.13298	11.5
151.11198	2.7
157.10080	2.4
159.11713	14.2
163.14764	2.4
173.04474	8.4
173.13286	4.8
177.12747	7.0
187.13319	7.9
187.91052	2.0
195.13852	6.1
197.13072	2.2
200.67563	2.2
241.14204	2.6
243.15932	24.8
261.22141	6.9
269.17429	15.9
287.18570	2.4
335.22052	4.0
335.25818	56.1
336.25842	2.5
369.24081	2.4
413.21915	4.6
431.22714	7.0
503.37289	50.8
529.38934	13.2
547.39819	6.1
673.42584	3.0
691.44263	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01849	4.4
55.05516	18.5
56.31797	2.5
57.03439	16.7
61.02940	15.8
67.05506	43.0
69.03430	4.5
69.07079	14.6
69.24265	12.8
69.24686	12.1
71.04980	7.3
73.02884	4.7
79.05495	37.3
79.50243	2.3
81.03421	5.0
81.07063	46.5
83.04978	3.2
83.08615	13.3
84.61685	2.5
85.02901	15.7
85.06538	3.2
91.03954	8.8
91.05486	28.5
93.07043	52.1
95.04977	4.7
95.08611	34.8
97.02869	7.8
97.06520	6.2
97.10137	4.8
98.20779	3.7
99.52057	2.4
103.03990	3.5
105.07032	28.0
107.04941	14.5
107.08591	25.3
109.02849	3.8
109.10169	15.6
113.05918	2.0
117.07014	8.4
119.08590	26.9
121.10159	27.6
123.04413	5.6
123.08028	4.4
123.11684	4.6
125.09618	5.3
127.03878	5.9
129.06981	4.6
131.08563	15.5
133.10136	19.0
135.11676	20.8
137.09648	3.6
143.08546	7.1
145.04883	2.7
145.10164	11.6
147.11749	13.5
149.13235	8.9
154.94762	2.5
159.11697	17.3
161.13269	7.9
163.11168	4.5
171.11681	5.8
173.11710	4.2
173.13243	7.0
175.14795	6.8
175.35959	2.5
177.12737	5.8
185.13234	4.9
187.14807	8.8
205.15895	4.6
219.10085	3.4
229.14351	6.0
241.19608	12.5
259.20587	30.5
269.17435	12.3
277.21655	27.4
302.31546	2.4
351.25311	100.0
386.58685	2.5
459.27686	2.9
481.31210	2.9
495.29233	4.4
513.30359	11.2
579.60339	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	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.05522	27.5
57.03447	13.8
57.07078	8.8
61.02925	20.3
67.05506	66.1
68.88794	5.4
69.03401	11.9
69.07062	21.3
69.36328	48.8
70.06579	11.4
71.05003	5.7
73.02921	8.3
79.05497	65.0
81.03409	12.3
81.07067	77.9
83.04987	10.9
83.08627	21.3
85.02908	22.1
85.06511	8.1
86.09680	8.2
91.03969	9.0
91.05486	57.6
93.07051	92.5
95.04968	10.5
95.08622	33.7
97.02898	17.8
97.06509	9.7
97.10149	7.9
103.05460	8.6
105.07021	50.8
107.04955	99.4
107.08587	42.2
108.05282	9.4
109.06538	6.3
109.10149	26.7
111.08082	7.0
112.85673	5.9
117.07011	16.7
119.08573	41.1
120.48665	5.8
121.10147	33.3
123.04489	10.3
129.07002	13.0
131.04938	10.6
131.08543	16.0
133.10147	43.1
135.11687	24.3
142.07729	5.9
143.08537	12.7
145.10144	20.7
147.11708	30.8
149.09558	7.2
149.13274	24.1
157.10153	8.8
159.08192	6.7
159.11682	17.4
161.13206	21.5
163.05995	7.5
163.11177	8.9
163.14815	7.9
171.11696	9.5
173.11693	8.7
173.13217	8.2
175.14862	13.2
185.13185	8.0
212.04750	6.0
220.46085	6.3
229.14262	10.5
229.72005	5.3
241.19608	11.0
259.20526	52.7
267.15988	7.8
269.17456	22.0
277.21533	8.6
297.17136	9.0
333.24298	13.2
344.20566	15.8
350.81909	6.4
351.25241	100.0
363.73691	7.1
423.27475	8.7
495.29572	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	710.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11919	1.2
53.03939	3.6
55.01864	2.0
55.05512	22.3
57.03452	7.1
57.07075	12.1
61.02925	23.7
65.03951	3.3
67.05505	69.3
69.03425	4.0
69.07069	27.4
71.04984	3.2
71.08629	5.2
71.10050	3.1
73.02917	7.4
73.06491	1.4
79.05075	2.0
79.05497	21.9
81.07056	92.2
83.05022	1.9
83.08620	20.3
85.02908	31.0
85.06542	2.3
85.10183	3.0
91.03954	21.9
91.05474	18.6
93.07044	29.4
95.04937	1.9
95.08609	84.1
97.02902	13.3
97.06522	6.2
97.10155	16.6
99.08091	4.6
105.07020	13.3
107.08597	20.2
109.09480	2.6
109.10165	38.6
111.08076	3.8
111.11700	5.0
113.09697	1.7
115.03941	2.7
119.08578	13.5
121.10147	26.6
123.08041	2.3
123.11701	15.7
125.09628	3.9
127.03931	11.3
133.10153	16.7
135.11703	14.2
137.09660	2.8
137.13251	10.4
139.11194	2.2
141.12741	2.3
143.75542	1.4
145.04977	13.4
145.10104	2.2
147.11684	11.6
149.13269	6.2
151.14825	6.7
153.12775	1.8
153.89749	1.5
155.14319	4.0
161.13268	14.6
163.06047	14.6
163.14787	6.7
165.12758	1.4
165.16382	4.8
169.15805	2.5
175.14822	12.4
177.16344	8.5
179.17937	9.6
181.15842	2.0
189.16405	4.7
193.15886	2.5
193.19505	6.6
207.17543	1.9
234.65129	1.5
248.23712	3.2
259.24225	63.2
277.25266	100.0
278.25543	2.1
295.26260	2.4
312.48404	1.5
351.28925	75.3
369.29901	12.7
513.34344	3.5
605.94714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01867	1.2
55.05514	11.7
57.03435	9.8
57.07060	1.5
61.02939	1.4
65.03938	2.4
67.05504	57.3
69.03416	2.6
69.06732	1.2
69.07067	11.2
71.04993	1.9
71.26176	1.0
79.05495	30.6
81.03411	1.5
81.07057	39.8
83.04957	3.9
83.08596	4.7
85.02920	1.5
85.06533	1.5
91.05481	88.6
93.06484	1.9
93.07044	30.7
95.04972	5.3
95.08607	31.6
97.02869	1.5
97.06537	2.2
97.10125	1.7
98.20752	2.7
99.08113	1.1
105.07034	39.0
107.04934	4.6
107.07993	1.3
107.08604	18.8
109.06518	2.4
109.10161	15.3
111.04476	1.3
111.08076	1.6
115.05432	1.2
117.07025	6.7
119.08591	9.5
121.10143	10.7
123.08072	1.6
123.11691	4.4
128.06253	2.2
131.08568	10.6
133.10133	92.9
134.10461	1.2
135.11685	9.7
138.03302	1.2
143.08589	4.9
145.10077	4.5
147.11665	3.7
149.09546	1.2
149.13228	4.8
151.11209	5.3
159.11615	2.4
161.09619	14.7
161.13197	2.8
163.11224	1.5
163.14818	2.2
173.13274	2.3
174.86143	1.3
179.10712	2.7
179.64056	1.1
180.28999	1.0
192.38374	1.3
197.11739	3.7
203.21941	1.2
219.05707	1.1
235.13330	1.3
243.21001	1.9
251.12720	1.8
253.14352	60.2
254.14725	1.2
261.22083	7.1
297.24557	1.1
317.24838	2.3
335.25797	100.0
336.26337	2.5
345.30731	1.1
415.79959	1.2
440.51984	1.2
513.35767	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	712.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90432	1.7
53.03955	3.9
55.05522	30.9
57.03432	8.5
57.07081	20.1
60.63866	2.0
61.02935	26.0
61.49112	1.7
67.05509	42.0
69.03430	5.1
69.07075	51.8
71.05006	3.3
71.08633	16.3
71.10150	3.7
73.02923	7.0
75.04482	3.0
79.05494	22.2
81.07065	57.3
83.08627	47.9
85.02905	29.9
85.06567	3.4
85.10181	5.3
86.97461	1.8
91.03968	24.8
91.05473	7.3
93.07050	27.3
95.08614	47.2
97.02915	16.1
97.06529	10.5
97.10172	30.1
99.08096	3.4
103.62453	1.9
105.07029	3.6
107.04990	3.1
107.08604	17.5
109.10168	26.5
111.08099	9.2
111.11723	11.2
119.08584	2.5
121.10151	36.9
123.11729	10.0
125.09672	3.9
125.13312	2.4
127.03948	9.1
135.11696	37.0
137.13289	4.0
139.11172	4.7
145.04990	13.1
148.63968	1.9
149.13289	13.0
153.12816	4.1
157.12253	2.2
163.06026	15.6
163.14847	9.1
165.16373	2.8
177.16400	2.9
179.17957	3.8
184.09724	2.0
221.91121	2.0
261.25760	32.9
279.26846	98.4
297.27921	17.3
302.24835	2.2
335.25531	2.5
353.30533	100.0
354.30841	4.2
361.50439	2.1
371.26917	2.5
371.31604	37.5
384.45761	2.4
387.20682	2.0
515.35706	4.9
676.70673	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	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
51.76527	1.3
53.03933	3.5
55.01865	4.3
55.05275	1.3
55.05517	16.4
57.03207	1.1
57.03442	18.8
57.07082	1.7
59.04981	1.5
61.02921	2.2
65.03927	3.2
67.05507	61.8
69.07072	21.6
69.20459	1.7
69.20863	9.9
71.01357	2.4
71.04985	4.7
73.02917	1.5
78.32461	1.1
79.05498	51.4
80.05795	1.2
81.03395	3.4
81.07059	52.0
82.07394	1.2
83.04983	16.5
83.08627	7.1
85.02900	2.5
85.06532	4.2
85.72958	1.2
91.04991	1.6
91.05493	25.0
93.07047	65.4
95.04951	5.1
95.08614	36.3
97.02878	2.0
97.06537	14.9
97.10166	8.5
105.04532	1.6
105.06382	2.0
105.07046	15.8
107.07886	2.1
107.08598	38.8
109.10168	14.3
111.08126	2.9
117.07031	8.0
119.08580	12.1
121.10149	18.9
123.11682	5.0
125.09644	3.4
131.08572	6.3
131.77861	1.2
133.10124	11.3
135.08107	1.2
135.11694	45.4
135.95100	1.4
137.09584	1.5
145.10118	12.4
147.11716	2.7
149.13271	4.1
151.11226	1.7
153.12747	6.0
159.11639	3.5
161.13281	3.5
163.11234	6.8
163.14871	2.2
173.13226	2.9
175.14859	1.3
181.12265	13.4
187.14796	1.4
199.13327	1.9
214.03143	1.1
226.82997	1.3
227.12857	2.2
243.21120	3.9
253.14293	2.9
255.15916	100.0
256.16251	2.1
261.22086	11.8
317.24658	2.3
335.25815	76.3
336.26154	3.7
366.35275	1.4
423.32248	2.0
431.48431	1.2
441.33643	2.1
488.33276	1.6
497.37299	1.4
515.37341	89.4
516.37610	4.1
533.38776	2.2
535.94556	1.4
657.36481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.05502	7.9
57.07067	3.6
63.33580	2.0
67.05508	16.2
69.03414	2.5
69.07053	6.5
69.21339	9.4
69.21766	11.5
70.41550	2.0
79.05509	16.9
80.05015	3.1
81.07063	24.6
82.06586	8.3
83.08630	4.8
85.92638	2.0
91.05499	21.3
93.07059	15.3
94.06582	26.5
95.07346	6.8
95.08618	15.7
96.08134	2.5
97.10162	3.7
97.37899	2.0
105.07033	14.0
106.06571	5.6
107.08586	11.5
108.08139	11.5
109.10172	5.0
117.07029	10.7
119.08597	13.8
120.08117	5.5
121.10132	6.3
121.90290	2.3
122.09650	6.6
131.08568	12.5
132.08121	4.0
133.10162	11.0
134.09650	6.4
135.11710	5.2
145.10098	4.9
145.74771	2.1
147.10512	3.4
147.11617	2.9
159.11656	3.2
161.13303	2.3
171.84947	2.3
173.13202	2.7
203.17918	2.2
220.20494	2.3
231.21130	10.5
232.20715	4.7
243.21085	7.8
246.22134	3.5
248.23822	12.4
260.23767	100.0
261.22137	2.6
272.25867	5.5
278.24832	9.0
369.67270	2.6
502.46371	6.4
514.46265	10.0
516.47302	4.7
532.47339	24.6
600.50543	4.3
617.61499	2.4
670.24023	2.5
694.52441	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	713.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96586	0.4
68.40487	0.4
71.40708	0.8
71.91428	0.4
72.52505	0.4
95.08622	0.5
107.04973	2.4
119.08559	0.6
134.18697	0.4
151.45610	0.4
160.83586	0.5
197.10831	0.6
225.13765	0.5
237.13765	0.5
325.13208	0.6
341.16519	0.4
401.17856	0.7
402.18356	0.7
403.19073	1.4
404.20325	0.5
415.19470	0.8
416.20383	0.5
417.21161	1.8
418.21826	0.9
419.22217	1.2
430.18076	1.4
431.18820	2.5
433.24161	2.7
443.18359	0.8
444.19290	2.2
445.19879	6.7
446.20682	2.3
447.21967	1.1
457.20151	0.7
458.21243	1.0
459.21771	9.2
460.22540	3.8
461.23297	5.4
473.23477	2.0
487.25446	0.5
493.20374	0.7
495.22177	0.5
509.23608	0.9
519.24146	1.2
521.19934	0.7
522.20935	0.6
531.23810	1.2
532.24286	0.5
535.21606	0.8
536.22205	0.9
537.23193	1.5
547.27094	10.4
551.24310	3.3
552.25201	1.7
553.25970	2.0
565.26062	1.5
566.27002	3.1
567.27625	3.2
579.27716	1.0
593.28778	0.7
606.28259	0.9
607.29059	3.3
611.26416	3.7
625.28607	0.9
638.29132	0.9
639.29919	1.1
653.31226	15.4
654.31519	1.5
713.33319	100.0
714.33624	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	714.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
50.53093	0.1
51.02373	0.3
53.00333	0.1
53.03944	1.1
55.01864	0.2
55.05497	0.3
57.03419	0.2
57.07076	2.2
61.02906	0.1
64.25074	0.1
66.37424	0.1
67.05506	0.8
69.03435	1.5
69.07059	0.6
69.52477	0.6
69.77859	0.1
71.04999	0.2
71.08632	1.8
76.02459	0.1
77.03935	0.2
79.05495	1.8
81.03423	2.1
81.07055	1.2
83.08632	0.6
85.02905	1.3
85.10182	0.8
91.05482	0.2
93.07041	0.2
95.04967	1.2
95.08607	1.5
97.02892	3.4
97.10163	0.3
99.04453	0.6
105.04493	0.6
105.07047	0.1
107.04956	100.0
108.05285	1.1
109.02888	1.1
109.10155	0.8
111.11661	0.1
115.03914	0.2
119.04940	0.2
121.02854	0.2
121.10219	0.1
123.04420	0.3
123.11726	0.3
124.92306	0.1
127.02987	0.1
127.03914	2.3
131.04938	0.1
133.06502	0.3
137.13327	0.1
145.04961	2.5
145.06247	0.1
149.06055	0.1
149.13289	0.1
151.14876	0.1
157.06470	0.1
159.08107	0.3
161.06020	0.2
163.68681	0.1
173.05989	0.1
187.07574	0.3
190.05537	0.1
197.06061	0.1
203.07076	0.3
215.07014	0.8
219.25215	0.1
233.08124	0.5
239.23714	2.3
251.09213	0.3
257.24829	0.3
263.31335	0.1
304.26486	0.1
365.26636	0.1
371.29462	0.1
383.27972	1.5
401.28976	2.8
425.79190	0.1
431.48175	0.1
489.32388	0.2
506.70728	0.1
517.38885	0.1
641.97339	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44223	8.3
52.29736	5.8
55.05507	28.9
55.18568	6.3
56.36242	5.9
57.03434	13.2
57.07081	6.8
61.02922	7.1
65.84395	6.1
67.05510	76.2
69.03442	7.6
69.07069	25.7
69.22145	65.9
71.04985	7.9
79.05499	48.5
81.07057	100.0
83.04978	10.9
83.08627	25.1
85.06523	11.0
91.05476	26.6
93.07053	64.1
95.04964	9.5
95.08628	60.4
97.06548	8.7
105.07031	45.3
107.04979	35.4
107.08595	35.9
109.10133	32.0
111.08160	6.7
117.07008	12.2
119.08566	33.1
121.10167	28.5
123.11695	9.3
131.08591	13.9
133.10132	21.8
135.11705	14.3
145.10101	21.2
147.11694	23.8
149.13274	9.6
159.11694	21.9
161.13272	21.6
165.12791	13.0
165.29222	7.4
173.13202	10.9
187.14955	8.4
217.15897	6.5
229.14395	10.4
239.16478	21.4
241.17754	9.9
261.22174	9.1
333.24347	8.2
335.25793	33.9
425.34021	13.5
443.35181	8.6
489.36026	9.6
499.38144	32.4
517.38867	59.5
694.16229	6.9
721.62274	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.0
53.79095	6.5
55.05499	26.5
57.03431	15.5
57.07065	11.7
65.65185	7.9
67.05505	84.9
69.07076	33.4
71.04992	10.0
71.49236	9.4
79.05501	55.3
81.03413	14.4
81.07057	100.0
83.08615	12.7
85.02895	12.5
85.06532	26.9
85.23045	6.3
91.05468	52.5
91.16278	6.3
93.07064	55.3
94.84191	7.4
95.04962	7.1
95.08607	64.7
97.02920	6.7
99.04478	10.3
105.07046	39.9
107.04965	52.8
107.08578	39.4
109.06525	9.5
109.10150	38.2
117.07018	14.3
119.08599	42.3
121.06516	8.2
121.10156	37.8
129.06955	10.1
131.08548	27.5
133.10155	31.8
135.11723	16.0
143.08514	10.7
145.08603	18.1
145.10075	19.6
147.11662	28.2
149.13260	13.3
159.11694	18.4
161.13274	17.0
163.02966	6.8
165.12744	7.3
173.13284	10.9
179.87270	6.0
185.13206	6.7
229.14261	7.7
239.16522	10.2
261.22180	13.2
277.21710	12.5
285.21924	8.9
287.23822	7.5
295.22632	11.1
335.25851	35.8
350.69656	7.8
369.24258	9.5
387.25150	11.5
396.54300	8.0
425.34149	10.1
443.35330	11.9
499.37711	20.2
517.38983	51.8
653.49072	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	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.13283	0.9
55.05513	6.3
56.05036	3.1
57.07064	4.0
58.06581	1.5
60.04529	2.6
63.40903	0.7
67.05173	1.4
67.05508	14.3
68.05051	1.2
69.03409	2.0
69.07076	9.6
70.06591	2.4
70.79192	2.6
71.08633	1.7
75.95861	0.8
79.05493	10.8
80.05015	4.2
81.03391	0.9
81.05789	1.7
81.07056	13.2
82.06580	7.2
83.08624	4.0
84.08153	0.8
85.02905	2.1
85.10213	1.0
91.05487	9.3
93.07034	10.2
94.06574	23.4
95.07359	8.7
95.08607	8.8
95.44299	0.8
96.08124	5.1
97.02926	0.9
97.10174	2.2
98.69563	1.0
105.07041	6.7
107.08595	5.3
108.08115	3.2
109.10186	2.9
112.43017	1.1
119.08591	5.8
121.10128	5.5
121.45427	0.8
122.09664	2.1
123.11710	1.3
133.10146	5.8
135.11700	2.9
136.11218	1.0
137.13301	1.1
147.11717	1.0
187.86639	1.0
216.91643	0.8
233.22725	3.1
234.22229	3.6
245.22644	5.1
248.23706	2.0
250.25354	7.2
262.25311	100.0
263.25772	1.5
272.25928	5.0
280.26367	7.4
460.09558	1.1
504.47644	4.9
516.47772	24.4
517.47894	1.0
518.49219	3.5
534.48816	15.2
638.84637	1.2
696.53760	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	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
55.93581	0.4
63.07474	0.4
67.05508	1.0
69.03437	0.6
69.07065	1.2
69.29498	0.5
69.69170	1.6
69.69570	1.1
71.04996	0.4
79.05500	1.3
81.03429	0.7
81.07059	2.5
83.01085	0.6
84.08123	0.5
85.02927	0.7
86.09716	0.7
89.61792	0.5
91.05484	1.1
93.07042	1.3
95.01104	0.5
95.08621	1.5
97.02802	0.6
98.21445	0.7
103.05481	1.3
105.07060	1.2
107.04967	4.2
107.08611	1.3
109.10157	1.0
119.04979	0.5
119.08599	0.7
123.04271	0.7
127.03920	1.1
131.04933	2.3
137.05994	1.5
137.13274	0.5
139.03778	0.6
142.07863	0.5
145.10158	0.6
147.11688	0.7
149.13319	0.6
157.04761	0.6
169.04796	0.5
177.05473	0.9
185.04276	1.6
187.07597	0.5
201.03758	1.6
203.05240	2.3
255.10130	0.5
257.06488	0.6
259.07904	2.1
275.07346	0.5
317.08490	0.9
319.10178	0.6
331.10077	2.1
347.09561	4.5
363.09048	2.1
365.10535	4.5
373.14856	0.7
387.16650	0.7
391.24802	0.7
413.30447	1.1
415.19727	0.8
421.13452	1.6
431.31754	0.8
437.12747	0.6
455.22675	0.6
483.22220	2.3
493.15503	2.8
507.16998	0.9
521.18848	0.7
535.19885	1.2
553.29749	11.1
563.23352	1.3
577.24799	1.4
585.57898	0.6
617.27563	1.0
625.32007	1.0
645.27411	1.6
715.35101	100.0
716.35590	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44349	0.5
53.03942	0.8
55.01873	0.5
55.05504	1.6
57.03438	2.2
57.07071	0.5
60.08759	0.4
61.02934	5.1
64.60979	0.4
67.05512	5.6
69.03429	3.3
69.07066	1.5
69.45415	1.0
69.45821	2.5
71.01389	0.5
71.04996	0.5
72.84951	0.4
73.02923	3.5
76.58278	0.4
77.88017	0.4
79.05493	3.6
81.03438	1.4
81.07055	4.1
83.08616	0.5
83.19578	0.4
85.02911	5.9
87.04478	0.7
88.41351	0.4
91.03966	3.0
91.04444	0.4
91.05490	6.2
93.07052	4.0
95.05000	0.6
95.08601	3.7
97.02903	4.1
98.21497	0.9
99.04443	1.0
101.02389	1.9
105.07050	2.7
106.87315	0.5
107.08621	2.2
109.02883	1.1
109.06527	0.4
109.10176	1.7
117.07079	0.9
121.10150	1.7
123.11805	0.5
127.03943	1.5
131.08620	1.0
133.10135	6.1
135.11757	1.1
145.10101	0.7
147.11670	0.5
159.11578	0.5
161.09624	1.1
219.09912	4.2
243.08472	1.6
275.12430	0.4
303.06973	1.7
437.17804	2.4
519.29303	11.4
534.57703	0.5
715.40259	100.0
716.40503	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	716.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
57.07078	29.3
63.55143	0.8
67.05508	1.4
69.07074	4.4
70.88602	1.2
70.88932	1.7
71.08634	28.8
73.06561	7.7
74.89457	0.7
79.05496	1.1
81.07063	1.5
83.08619	4.9
85.10191	17.1
87.04470	9.0
89.06036	100.0
91.05505	0.9
91.07604	1.1
93.07063	0.8
95.08606	1.7
97.10199	4.2
99.11736	3.8
107.04951	3.9
107.07020	1.9
107.08662	1.3
108.05300	1.0
109.10160	1.0
111.11726	3.3
113.13276	2.0
117.09156	8.1
118.10419	0.9
125.13285	1.7
127.14822	1.2
130.08647	2.1
131.07069	3.2
133.08615	53.0
135.56505	1.0
139.14757	1.2
141.16356	1.5
161.11717	2.2
175.09654	2.0
177.11241	22.9
177.12724	1.8
197.22627	1.8
200.63774	0.8
213.21077	0.8
221.13771	4.8
241.25240	2.1
270.87338	0.9
285.27841	5.7
293.16727	0.9
329.30536	2.6
371.22818	1.3
503.30664	2.4
536.50476	2.2
699.52411	2.3
716.55261	4.3
717.43011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49184	0.1
53.03931	0.3
53.16848	0.1
53.17461	0.1
55.01854	0.5
57.03442	0.6
61.02930	0.9
65.03935	0.1
68.99775	0.1
69.03101	0.1
69.03433	2.3
70.06568	0.5
71.01372	0.1
71.04990	0.2
71.08539	0.3
73.02890	0.3
74.10555	0.1
79.01875	0.2
81.03422	1.2
85.02905	6.1
86.09692	0.2
87.04431	0.2
87.75062	0.1
91.03944	0.3
96.42854	0.1
97.02313	0.1
97.02898	2.5
99.04414	0.3
103.05460	0.2
103.41419	0.1
105.03347	0.1
107.01302	0.6
107.04436	0.1
107.04968	0.9
109.02869	0.6
119.04890	0.2
121.02863	5.2
127.03923	1.1
128.06223	0.1
129.58562	0.1
131.04913	0.4
133.06427	0.1
141.06929	0.1
145.04980	1.0
145.06502	0.3
147.04420	1.0
149.02310	0.2
157.06461	0.3
161.06012	0.1
165.01839	1.2
169.06517	0.2
171.04456	0.1
173.05992	2.0
177.01872	0.2
183.02884	0.3
183.04362	0.2
197.05995	0.8
201.05449	0.9
201.59488	0.1
211.03987	0.1
215.07047	0.2
225.05426	0.4
229.04967	5.0
231.10172	0.2
243.06544	0.8
253.05014	0.4
257.04337	0.3
271.05939	0.5
287.05551	1.2
299.05493	60.9
300.05820	1.1
393.09662	100.0
394.10043	2.5
435.10913	0.2
449.10675	0.2
555.07086	0.2
555.15027	2.5
582.33136	0.1
622.21454	0.1
730.30652	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	717.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01872	0.4
56.05001	0.2
57.03416	0.4
59.87489	0.1
61.02932	0.8
64.95663	0.2
68.99785	0.2
69.03433	2.3
70.06604	1.0
71.04970	0.3
71.08881	0.3
72.08148	1.3
73.02906	0.4
81.03419	1.1
84.08152	1.7
85.02906	5.4
85.08458	0.3
86.09706	1.3
91.03932	0.4
97.02882	2.1
99.04440	0.4
105.03327	0.2
107.04958	2.1
109.02850	0.6
109.06474	0.2
120.08091	1.6
121.02864	4.8
123.00807	0.5
123.04446	0.2
127.03909	1.3
129.10190	0.7
131.04892	0.2
133.06439	0.2
135.04419	0.2
136.07533	0.2
137.02275	0.2
137.05942	0.3
141.01830	1.3
145.04906	0.8
147.04396	1.0
151.03978	0.2
161.05978	0.2
165.01854	1.8
166.08649	0.2
169.06509	0.4
173.12888	0.3
183.02869	1.1
197.05998	0.9
201.05460	0.2
215.07062	0.2
225.05455	0.8
243.06502	1.7
253.05070	0.2
271.06039	0.7
287.05469	0.9
299.05493	100.0
300.05869	2.4
313.15488	0.4
373.63980	0.2
393.09671	26.3
394.09888	0.7
409.05228	0.2
449.10504	0.2
458.95221	0.2
461.10953	0.4
555.15033	2.5
647.67096	0.2
716.43567	0.5
717.28424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58882	0.7
55.05513	1.0
59.12586	0.6
60.59295	0.6
67.02785	0.7
67.05519	1.2
69.85359	0.8
71.49104	1.1
71.49482	0.9
79.05502	2.1
81.03413	1.0
81.07048	1.5
89.71449	0.7
90.01072	0.7
91.05488	1.9
93.07045	2.1
95.08611	1.1
98.97607	0.8
105.07015	1.6
107.04986	2.0
109.10201	0.9
119.08592	1.2
119.59486	0.8
133.10127	1.1
152.83286	0.7
159.11633	0.8
161.09648	0.6
171.11781	0.8
236.28995	0.9
275.20264	1.0
275.56674	0.7
321.04752	0.9
406.70953	0.7
717.34589	100.0
718.35150	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	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03429	1.4
57.07063	0.7
61.02929	4.2
67.05501	5.5
69.03422	2.6
69.07073	1.3
71.04979	0.9
71.49693	0.7
71.50073	0.7
73.02919	3.4
79.05489	3.8
81.03395	1.2
81.07059	4.9
83.04977	1.1
83.48315	0.5
85.02911	4.2
87.04435	0.7
91.03946	2.5
91.05477	2.3
93.07050	4.2
95.08606	3.4
97.02883	3.2
99.04454	1.1
101.02377	2.0
105.06981	0.8
107.08602	2.5
109.02899	0.9
109.10149	1.1
119.08601	1.0
121.10159	1.4
127.03922	1.2
131.08531	0.6
134.05573	0.6
135.11697	2.1
145.10135	0.9
149.13330	1.0
187.63492	0.5
221.11479	1.7
243.08449	1.7
335.25937	0.6
336.26379	0.7
386.90491	0.6
439.19431	4.0
519.29218	9.6
717.41791	100.0
718.42181	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03938	8.0
55.05511	19.6
57.03426	8.1
57.07060	1.8
65.03947	3.9
67.05509	59.4
69.03407	2.2
69.07066	11.7
71.04983	3.6
79.05499	68.8
79.33735	1.7
81.03408	6.7
81.07061	59.0
83.04990	11.3
83.08613	7.1
85.02908	2.2
85.06529	3.2
85.07658	7.3
91.05484	55.2
93.07047	70.3
95.04970	15.4
95.08616	36.0
97.06552	4.4
97.10193	3.0
98.21627	3.5
105.04570	2.0
105.07031	34.5
107.04948	5.5
107.08600	26.6
109.06510	3.6
109.10162	10.9
117.07016	9.1
119.08593	23.7
121.10152	13.1
123.08029	2.6
123.11707	2.9
129.06996	12.3
131.08557	9.3
133.10141	11.5
135.11687	7.4
135.86919	2.0
143.08534	5.5
145.10114	10.8
147.08073	2.5
147.11710	26.7
149.13255	5.3
159.11681	2.8
161.09572	2.8
161.13268	8.6
171.11705	20.7
189.12753	7.4
207.13800	16.9
215.01541	1.9
261.22198	7.3
281.17493	46.2
335.25800	57.9
383.44131	2.0
541.38904	100.0
542.39301	4.3
731.04187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.2
55.01855	5.2
55.05516	27.9
57.03425	8.6
57.07060	5.3
59.04982	2.1
61.02924	3.5
67.05510	75.0
69.03441	14.4
69.07080	19.5
71.04999	31.7
71.49243	3.3
73.02930	3.8
79.05495	53.7
81.03425	33.5
81.07061	100.0
82.07385	1.9
83.04980	11.5
83.08621	12.7
84.73268	2.0
85.02905	5.3
85.06551	10.0
87.04445	2.4
91.05483	57.1
93.07050	50.2
95.01304	1.8
95.04978	10.8
95.08060	3.3
95.08614	33.5
96.31094	1.8
97.02885	7.6
97.06545	10.8
97.10183	4.8
99.04468	3.7
99.08084	3.4
100.72303	1.8
105.04509	3.1
105.07035	45.5
107.04947	8.3
107.08603	33.8
109.02880	6.7
109.06510	6.3
109.10171	15.8
111.04418	4.3
111.08107	3.8
115.05479	2.4
117.07030	21.6
118.84866	2.0
119.04962	2.1
119.07814	2.8
119.08591	34.6
121.06474	5.8
121.10160	20.2
123.04430	2.9
123.08076	4.3
123.11761	10.7
127.03896	4.3
128.06229	4.2
129.07002	14.7
131.04890	2.9
131.08574	33.1
133.06470	3.8
133.10155	35.1
135.08076	4.0
135.11711	18.5
137.09590	2.6
137.13210	2.6
139.11168	2.8
141.06967	6.0
142.07790	3.6
143.08543	17.6
145.06468	2.8
145.10126	20.6
147.08055	2.5
147.11702	20.4
149.09631	5.1
149.13229	9.2
151.11160	5.5
155.08565	7.3
157.10158	14.6
159.11687	22.6
161.09674	3.4
161.13300	11.1
163.14812	2.6
165.12762	3.2
167.08586	2.8
169.10095	10.6
171.08060	2.6
171.11684	18.8
173.04448	8.3
173.13275	12.7
175.11261	4.4
175.14859	4.9
177.12721	5.7
179.08566	2.8
181.10133	6.1
183.11685	8.1
185.13264	8.4
187.13277	5.5
187.14815	5.8
189.16457	2.3
193.10429	2.1
193.12254	6.0
195.11678	5.3
195.13808	2.7
197.13232	7.7
199.14810	4.3
201.16417	2.5
207.11752	4.5
209.13312	4.4
211.11119	2.1
211.14909	3.9
213.16437	2.8
221.13254	3.4
223.14851	3.5
225.12860	2.6
225.14764	4.4
227.16397	2.4
239.18013	2.2
241.19537	7.1
243.15839	5.6
243.21103	4.1
251.14334	2.5
257.17218	3.2
259.20816	9.4
261.22244	4.8
267.16101	2.5
269.17535	3.5
271.20544	2.3
275.20111	2.6
301.20380	2.8
309.21930	2.6
315.23242	1.9
325.21552	3.2
333.24173	6.0
335.25681	5.5
367.22702	5.1
385.23862	2.2
409.30646	3.1
411.32666	3.7
413.21521	2.4
435.32825	3.8
436.64618	1.8
437.28653	2.1
485.36008	5.6
501.29913	2.3
501.35910	21.9
503.37326	53.5
509.36288	3.4
525.34906	2.7
527.37390	35.3
528.37427	3.2
533.37994	3.8
559.39783	3.5
635.39349	3.7
653.40210	3.6
667.41870	4.0
671.41077	5.6
685.41986	6.0
689.31079	2.5
689.42773	10.5
703.42645	4.0
721.35779	2.7
721.47266	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	722.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88971	0.1
51.02372	0.3
53.03953	1.4
53.42817	0.1
55.01853	0.2
57.07079	3.4
61.02903	0.2
69.03435	0.3
71.02344	0.4
77.03933	0.5
79.05495	1.5
81.03413	0.3
85.02895	1.4
85.06548	12.8
95.04975	1.1
97.02892	0.4
105.04523	0.7
107.04961	100.0
108.05283	1.0
109.06553	0.3
125.00800	0.1
127.03937	0.2
127.07589	0.6
133.06584	0.2
145.05003	0.5
145.08604	10.1
161.09624	0.2
163.06024	0.3
173.08206	0.3
173.09645	0.7
191.09163	6.3
229.10861	0.2
241.27330	0.2
251.48227	0.2
257.13849	5.5
258.14151	0.3
306.10529	0.2
678.92786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44284	0.8
53.03935	1.6
57.03424	1.3
67.05499	1.1
69.03412	3.4
70.06591	1.6
71.47733	1.4
76.33071	1.0
79.05490	1.9
81.03405	2.6
81.07022	1.1
85.02900	4.6
85.40154	0.8
89.45319	0.9
91.05460	1.7
93.07008	1.4
95.04944	1.7
95.08598	1.1
97.02891	6.4
103.05471	14.6
105.07052	1.1
107.04956	61.7
108.05276	1.4
109.02877	0.8
119.08594	1.0
121.10124	1.1
127.03925	2.1
131.04927	100.0
132.05286	1.1
133.75998	0.9
136.07571	1.1
145.04958	1.6
147.08115	0.9
147.11569	1.1
149.06018	5.0
154.68427	0.9
209.09651	2.1
237.09308	1.1
275.09186	1.7
277.08533	1.2
293.10214	26.3
295.09192	0.8
358.34277	1.1
366.62213	1.0
401.91931	0.8
467.40775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01878	2.7
55.05518	24.0
56.39050	2.0
57.03441	8.9
57.07052	2.7
59.01624	2.2
65.03920	2.1
67.05510	80.8
69.03429	11.6
69.07079	18.0
69.92858	9.8
71.05000	29.1
79.05498	46.8
81.03427	17.9
81.07061	100.0
83.04993	16.9
83.08624	9.5
85.02917	3.7
85.06548	8.8
87.07091	2.2
91.04914	3.5
91.05486	46.8
93.07050	44.5
95.04990	6.0
95.08612	36.8
97.02906	4.3
97.06531	8.6
97.10180	4.7
99.04462	3.5
101.06020	2.9
105.07053	28.5
107.08610	27.0
109.02908	4.9
109.06527	4.4
109.10157	15.1
111.04458	4.1
111.08056	2.2
115.05450	2.6
117.07025	9.6
119.08585	14.6
121.06467	3.1
121.10150	18.2
123.08058	3.4
123.11720	12.9
125.09708	2.2
129.05534	4.5
129.06996	4.9
131.08586	19.6
133.10139	25.4
135.08089	3.8
135.11728	11.6
137.09624	3.4
140.96756	2.0
141.09102	2.2
143.08563	6.3
145.10127	11.0
147.11722	8.9
149.13277	9.5
151.11206	4.6
155.08617	3.5
157.10179	6.7
159.11682	13.0
161.13333	5.0
165.12787	2.5
169.10124	4.1
171.11761	3.4
173.04433	4.4
173.09605	2.9
173.13327	5.3
177.12761	5.2
183.11707	2.1
183.13869	3.5
185.13354	2.5
187.13338	9.7
187.14809	2.7
195.11720	2.1
195.13890	3.3
202.15347	2.1
225.14870	4.9
227.16367	3.4
243.15948	6.1
261.22125	3.8
269.17529	10.4
299.18649	2.3
334.76126	2.2
335.25824	14.4
351.23022	3.1
352.05530	2.0
369.24545	4.9
443.28131	3.8
445.24289	3.2
461.28903	4.8
503.37326	23.1
505.39032	14.0
529.38806	11.1
553.36005	2.2
561.41394	21.0
637.40613	2.8
647.99255	2.6
655.41461	2.8
673.42792	8.2
705.45459	5.0
723.44159	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	724.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01871	4.1
55.05507	19.1
57.03198	2.6
57.03427	13.6
61.02923	3.2
65.03934	3.6
67.05505	62.9
67.86442	2.4
69.03419	3.3
69.04600	2.8
69.07061	12.0
71.04980	4.9
73.06528	2.5
78.04242	2.6
79.05488	42.9
81.02924	4.6
81.03416	87.7
81.06596	3.5
81.07056	56.5
81.19606	2.2
83.04979	7.8
83.08615	20.2
85.02908	4.8
91.05479	34.3
93.07042	44.7
95.04966	30.5
95.08608	38.9
97.02892	5.2
97.06538	5.1
97.10180	7.0
104.01118	2.7
105.04489	3.5
105.07033	32.7
107.04973	6.8
107.08594	23.8
109.06519	2.8
109.10162	20.7
111.08082	7.1
117.07015	6.1
119.08591	20.4
121.06502	2.9
121.10148	22.4
123.08066	3.4
123.11695	5.6
123.45876	2.7
125.09610	4.2
129.06982	8.6
131.08537	16.3
133.06505	3.0
133.10144	15.4
135.08063	3.9
135.11700	11.4
137.09628	3.6
137.13339	2.6
142.07782	4.1
143.08563	3.3
145.10143	9.3
147.08031	4.9
147.11671	12.6
149.09618	5.3
149.13254	7.5
157.10094	9.5
159.11717	5.9
161.13245	5.0
163.14828	4.5
173.13232	4.9
175.11198	12.2
193.12238	24.0
227.12723	5.4
229.45538	2.6
235.13309	3.4
243.21049	6.8
261.22092	18.2
267.15909	100.0
279.99850	2.9
300.58423	2.9
301.14297	4.1
301.25217	4.8
309.16940	5.1
317.24826	3.0
335.25812	88.3
435.32693	4.0
448.92798	2.9
453.33688	5.2
471.34549	3.6
521.81702	2.8
527.37341	44.3
545.38354	20.9
569.38287	4.2
611.37280	3.2
717.25177	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	725.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52213	0.8
53.03945	2.6
55.01878	1.2
57.03437	0.9
62.07355	0.8
62.39767	0.7
67.05507	1.2
69.03436	4.5
70.06590	1.6
70.72427	2.6
79.05483	2.2
81.03429	5.2
81.07049	2.2
85.02918	6.6
85.06544	1.8
86.09700	1.1
87.00816	2.0
93.07088	1.1
95.04955	2.5
95.08588	2.5
97.02888	2.6
99.04403	1.0
105.01847	2.0
105.07019	1.4
107.04961	100.0
107.08572	3.4
108.05280	3.8
109.02882	3.8
109.06522	3.0
109.10176	1.6
119.08600	1.4
121.10143	5.7
123.08060	2.0
127.03919	4.7
133.10146	1.8
135.08046	1.1
137.09615	7.1
145.08580	1.4
147.11722	1.0
149.09641	4.5
149.13268	2.6
151.11189	11.3
159.02881	1.4
164.10706	1.2
165.12775	18.9
165.45894	0.8
191.09103	1.4
191.14297	5.2
192.10184	1.5
193.15834	2.4
209.15375	76.2
210.15775	1.7
242.10083	1.0
265.11798	3.9
266.12134	1.4
327.98483	0.9
333.63406	1.0
359.13907	0.9
371.15881	1.1
372.16476	1.4
418.41675	1.1
457.20847	10.7
563.25824	1.4
725.29388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
51.06461	0.1
53.03944	0.7
55.01857	0.2
55.05512	0.1
63.02368	0.1
67.05502	0.1
69.03423	0.1
69.07063	0.1
69.60201	0.4
70.06602	0.1
77.03935	0.3
79.05497	1.1
81.03403	0.2
81.07060	0.3
83.08654	0.1
85.02902	0.2
91.05489	0.2
93.07028	0.1
95.04973	0.9
95.08601	0.1
97.02892	0.1
98.24645	0.1
105.04505	0.5
105.07030	0.1
107.04958	100.0
108.05280	1.1
109.06530	0.1
109.10186	0.1
113.02373	0.1
119.08629	0.1
123.04442	0.1
124.03896	0.1
127.03864	0.1
131.08641	0.1
137.06015	0.1
145.04968	0.1
147.11696	0.1
155.07056	0.3
157.10237	0.1
158.28752	0.1
173.08061	0.3
189.11446	0.1
205.09837	0.1
213.09097	1.0
275.20111	0.1
279.12277	0.5
349.23825	0.3
367.24753	0.5
440.24335	0.1
449.52271	0.1
511.29056	0.1
666.00208	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	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71646	0.8
53.03940	1.8
53.73319	0.8
55.05515	6.9
57.03436	5.1
65.03934	0.9
67.05505	31.2
69.03423	1.8
69.07069	10.0
69.23296	1.3
69.23699	7.7
71.04980	1.7
71.08635	1.0
71.27372	0.9
79.05495	16.8
81.03403	3.4
81.07053	34.3
82.67651	0.9
83.04977	2.8
83.08623	5.7
83.70188	0.9
85.02888	2.9
85.06545	2.0
91.05487	10.5
93.06492	1.8
93.07047	27.3
95.04977	3.3
95.08610	12.1
97.02905	2.0
97.06538	4.4
98.21581	1.5
105.07035	6.4
107.04958	2.8
107.08588	14.2
109.02905	1.9
109.06541	1.3
109.10143	3.0
111.08069	2.1
115.22159	0.9
117.07021	4.5
119.08599	4.7
121.10126	9.9
123.11658	1.8
125.09596	1.0
127.03912	3.5
131.08562	5.8
133.10121	4.3
135.11691	3.7
139.11066	1.4
143.08627	1.3
145.10106	3.0
147.11708	1.3
149.12222	1.2
149.13272	15.1
157.10147	1.6
159.11703	8.0
161.13286	1.1
173.13321	1.8
177.12770	3.2
195.13831	7.6
210.73584	0.9
213.14809	1.4
261.22232	2.5
269.17484	100.0
270.17862	2.0
272.18857	0.8
335.25775	3.3
339.17932	3.1
357.19122	1.1
387.25317	1.3
405.26526	0.9
529.38837	1.3
726.45135	1.6
744.33502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01863	2.1
55.05510	17.4
57.03191	1.8
57.03436	15.8
57.07062	2.6
59.84192	1.4
61.02900	2.2
62.84547	1.5
65.03918	3.2
67.05506	70.4
67.32277	1.3
68.36241	1.3
69.03437	1.5
69.07072	23.6
69.37510	1.5
71.04977	2.8
71.33194	1.8
71.33517	1.6
73.02926	1.5
79.05493	43.1
81.03403	1.9
81.07056	78.2
83.04970	5.3
83.08616	12.8
85.02895	2.2
91.05484	19.7
93.07042	61.0
95.04961	4.8
95.08607	33.5
97.06539	8.3
97.10130	2.9
99.08101	3.4
105.07040	12.2
107.08595	33.1
109.10163	8.2
111.08089	4.3
111.34860	1.2
117.07040	8.7
119.08598	8.3
121.10136	24.5
122.28594	1.4
123.11703	3.6
131.08598	11.1
133.10118	9.6
135.11678	12.7
139.11201	1.5
145.10135	3.4
147.11684	5.7
149.13248	26.4
159.11719	12.0
161.13219	2.0
173.13213	2.3
177.12743	4.8
187.14888	1.4
195.13814	11.0
213.14793	1.7
222.77177	1.6
261.22217	11.7
267.16074	3.9
269.17477	100.0
299.82971	1.3
317.24661	1.7
321.81836	1.4
335.25784	57.9
342.86197	1.3
437.34354	2.1
448.23041	1.5
529.38873	93.8
530.38922	3.4
685.65820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.98910	0.3
55.01876	0.5
57.83926	0.3
69.02648	0.3
69.03425	0.8
69.32136	1.7
69.32564	1.3
70.06595	0.7
77.03934	0.6
79.05498	2.4
81.03440	0.6
85.02911	2.3
85.06539	0.4
95.04981	1.9
97.02895	1.0
105.04535	1.0
107.04958	100.0
108.05301	3.1
109.02885	0.6
110.45606	0.3
118.98459	0.3
120.25835	0.3
120.76395	0.3
127.03954	0.6
145.08699	0.4
147.04399	0.5
167.06894	1.6
183.15332	0.4
185.04181	1.0
195.06299	2.9
213.07346	12.1
269.09967	20.2
270.10129	0.4
287.10895	2.9
297.13306	0.5
303.05148	0.7
316.50275	0.4
330.27179	0.4
375.13049	0.5
397.18384	6.4
413.17853	9.0
441.17401	3.7
459.18387	50.9
460.18628	1.8
481.16812	4.0
565.22400	0.6
621.23639	5.4
621.32843	0.6
623.28442	0.4
727.27844	49.5
728.28387	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	728.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01872	0.9
57.03441	1.5
59.01393	0.7
60.89415	0.4
61.02930	2.5
65.03946	0.4
69.03436	6.7
69.93298	1.9
70.06620	0.6
71.05009	0.6
73.02925	0.7
75.04491	1.2
76.21302	0.5
77.03941	0.6
78.68667	0.4
79.05502	1.4
81.03430	2.8
85.02909	21.2
91.03950	0.9
91.05486	2.8
94.04208	0.5
95.04968	0.5
97.02898	6.7
99.04459	0.6
104.04997	8.3
105.05784	17.4
106.06577	3.4
107.04973	1.8
107.07337	1.1
109.02869	2.3
109.06528	1.1
117.05786	1.1
118.06551	4.7
119.03682	8.0
120.04483	8.2
121.06528	2.5
123.06809	1.5
127.03902	4.0
130.02936	2.8
132.04457	48.8
133.05243	31.6
134.02405	0.9
134.06030	10.1
137.06009	0.8
144.04468	2.4
145.04958	4.9
147.05536	1.6
148.03928	1.8
149.04732	38.7
150.04927	0.6
151.06248	0.5
162.04138	1.1
162.05518	26.8
163.06288	92.2
164.07074	72.2
165.07355	0.7
166.08589	1.0
176.07112	0.7
179.05800	1.2
179.08212	1.4
194.08134	100.0
195.08475	1.1
202.05083	0.6
209.01085	0.8
215.34795	0.5
267.03326	0.6
269.04733	0.9
312.05334	1.6
372.07510	2.2
404.04736	0.9
404.10089	18.2
405.10159	0.8
416.91428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01882	0.8
56.05044	0.7
57.03436	1.6
61.02938	2.2
67.05518	0.9
69.03437	5.1
69.07076	0.9
70.06593	1.6
70.62356	0.4
71.05003	0.7
71.48381	0.8
71.48755	0.5
71.77489	0.4
73.02930	1.2
75.04516	0.7
77.03942	0.5
78.04726	0.7
79.05487	2.4
80.31661	0.4
81.03419	3.1
81.07058	1.5
83.01430	0.5
85.02907	20.6
86.09710	0.8
87.04493	0.6
91.05488	3.8
93.07005	0.9
94.04130	0.4
95.04961	0.6
95.08604	0.9
97.02893	7.8
99.04467	1.3
103.05453	0.8
104.04997	9.0
105.03406	0.5
105.04558	0.6
105.05782	15.6
105.06969	0.9
106.06574	3.7
107.04964	9.3
107.07356	1.2
107.08623	0.7
108.04491	0.8
109.02895	2.1
109.10168	0.6
116.05023	0.6
117.05730	0.6
118.06541	5.1
119.03688	8.7
120.04473	9.2
121.06548	2.9
121.10153	0.8
123.06816	3.0
127.03940	4.0
130.02872	2.7
131.04929	1.9
132.04456	53.3
133.05241	32.8
133.06274	1.1
134.02417	1.4
134.06032	10.3
135.06828	0.5
137.05984	0.9
144.04453	1.9
145.04971	4.6
147.05525	1.4
148.03940	1.7
149.04726	39.3
162.05511	28.1
163.06290	99.9
164.07074	75.5
165.07423	1.3
166.00467	0.5
166.08580	1.1
168.01942	0.5
176.07085	0.5
179.05765	0.8
179.08147	2.5
194.00101	1.0
194.08133	100.0
195.08400	1.7
269.83694	0.4
293.09769	0.6
295.02267	0.6
312.05222	2.1
340.04849	0.5
369.99429	0.5
372.07382	1.3
394.28357	0.5
404.10132	11.8
460.27405	4.1
621.38385	0.5
735.06378	0.5
743.16223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03955	1.3
55.01878	0.2
55.05499	0.2
65.03956	0.2
69.03426	0.3
70.06603	0.9
70.99738	0.3
71.04976	0.3
72.08150	0.3
74.95355	0.1
77.03936	0.3
79.05499	1.5
81.03407	0.2
84.04520	0.2
84.08138	0.6
85.02895	0.6
86.09696	0.5
91.05471	1.2
95.04979	1.6
97.02869	0.3
102.40038	0.2
105.04510	0.6
107.04956	100.0
108.05281	1.2
111.78979	0.1
119.04939	3.4
120.08098	0.5
121.02862	3.3
127.03891	0.2
129.10263	0.4
131.04916	0.5
136.07607	0.3
147.04410	22.4
148.04704	0.2
159.04417	2.7
164.07140	0.2
171.97852	0.2
177.05513	0.3
182.47926	0.2
225.09164	1.1
245.74699	0.2
253.08650	1.2
287.05518	0.3
288.05786	0.4
307.38782	0.2
309.09525	0.3
365.14374	0.2
400.01749	0.2
414.48776	0.2
571.86914	0.2
728.32092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03944	0.8
55.01868	0.3
57.03424	0.2
69.03426	0.2
69.07069	0.2
69.35887	0.2
69.36293	0.6
70.06598	0.5
71.04989	0.4
77.03933	0.3
79.05497	1.2
81.03384	0.3
81.07074	0.3
81.53905	0.1
83.04984	0.2
83.08636	0.1
84.08125	0.1
85.02909	1.0
85.06547	0.1
91.05495	0.3
93.07061	0.2
95.04980	0.8
97.02903	0.1
99.04465	0.2
105.04502	0.5
105.06992	0.2
106.94457	0.1
107.04961	100.0
107.21037	0.1
108.05287	1.2
112.30134	0.1
116.10752	0.3
119.08610	0.2
120.08093	0.2
121.06450	0.2
127.03886	0.2
129.05486	0.3
131.04988	0.2
133.10130	0.1
137.06003	0.3
145.04997	0.1
145.06406	0.1
145.10106	0.1
145.35724	0.1
154.08641	0.1
161.05995	0.2
190.53098	0.1
211.50632	0.1
213.09091	0.6
253.10886	0.2
299.05634	0.1
306.80026	0.1
309.11819	0.2
328.24841	0.7
442.31799	0.4
596.34247	0.1
704.35132	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	728.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03948	0.9
55.01874	0.3
55.05508	0.1
60.71542	0.1
63.21788	0.1
67.05494	0.2
69.03424	0.2
69.07055	0.2
70.06609	0.9
70.33723	0.5
70.86900	0.1
71.04997	0.5
77.03913	0.3
79.05499	1.4
81.03394	0.2
81.07049	0.3
83.04964	0.3
84.08157	0.2
85.02905	0.9
85.06564	0.1
86.09706	0.1
91.05521	0.1
93.07024	0.3
95.04961	1.0
95.08601	0.2
97.02879	0.2
99.04461	0.2
103.05475	0.1
105.04524	0.4
105.07050	0.3
107.04959	100.0
108.05284	1.2
116.90956	0.1
119.08542	0.2
121.06483	0.1
121.10166	0.1
127.03906	0.2
129.05479	0.1
131.04973	0.4
131.08565	0.2
133.06509	0.1
133.10191	0.1
135.11879	0.1
137.05988	0.4
145.04955	0.2
145.06470	0.2
145.10005	0.1
146.24438	0.1
149.06035	0.2
151.94991	0.1
161.05983	0.2
165.10989	0.1
166.36772	0.1
205.12112	0.1
213.09125	0.8
253.10770	0.3
309.11823	0.1
310.80417	0.1
437.30493	0.1
728.41620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08406	1.8
53.03936	3.3
55.01871	3.2
55.05514	19.4
57.03432	14.1
57.07065	7.0
61.02925	3.8
67.05509	76.3
68.41529	2.0
69.03423	2.3
69.07072	27.8
69.80016	11.1
71.04974	4.6
71.08644	3.2
79.05492	31.4
81.03439	2.9
81.07056	79.6
83.04976	3.8
83.08624	15.8
85.02906	3.4
85.06551	3.3
91.05482	16.2
93.07048	50.1
95.04965	3.5
95.08607	41.9
97.02888	2.8
97.06528	7.8
97.10155	4.3
98.20792	2.1
99.08088	3.7
105.07030	11.2
107.04974	17.1
107.08597	23.4
109.10165	15.0
111.08071	5.1
117.07015	4.9
119.08564	7.6
121.10156	16.6
123.11711	5.8
131.08549	5.3
133.10136	7.5
135.11691	7.0
139.11183	2.2
147.11668	3.0
149.13263	20.9
159.11716	8.5
173.94365	2.1
177.12712	3.5
177.62508	2.3
195.13821	8.1
207.28770	2.4
229.14336	7.8
263.23743	2.4
269.17480	95.2
313.27386	6.6
337.27380	62.3
467.37839	4.0
531.40454	100.0
532.40619	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	728.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79415	1.1
53.03943	2.3
55.05513	6.5
56.05036	6.7
57.07073	3.9
60.04526	3.1
65.03964	1.5
67.05511	15.7
68.05044	1.6
69.07078	9.9
70.06593	2.9
71.08638	1.8
72.04487	1.4
79.05493	14.0
80.05019	3.7
81.05814	2.0
81.07059	13.0
82.06581	9.5
83.08624	5.3
89.78042	1.1
91.05481	10.9
93.07042	10.9
94.06582	21.5
95.07364	11.3
95.08605	10.7
96.08133	5.2
97.10184	4.2
105.07026	8.2
107.08583	6.2
108.08113	4.7
109.10172	4.9
112.02288	1.3
119.08565	6.5
121.10172	5.4
122.09689	2.7
123.11751	1.3
131.17233	1.4
133.10144	3.4
133.67175	1.5
135.11720	3.5
136.11282	1.3
149.13261	2.0
161.56273	1.3
164.81804	1.3
219.21101	2.7
220.45486	1.2
231.21069	3.7
233.22661	1.3
234.22078	1.8
236.23763	8.5
248.23755	100.0
249.24205	2.1
262.25339	19.9
266.24792	4.7
280.26337	1.2
300.28943	5.6
313.37708	1.4
518.49078	5.0
530.49371	31.5
531.49451	1.6
532.50879	6.7
548.50360	16.1
591.36554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87077	0.9
52.12207	0.9
53.03949	2.6
55.01885	2.5
57.20008	1.2
61.02940	1.5
65.03939	5.5
67.05511	2.1
69.03430	4.9
69.27328	9.9
70.06593	3.4
72.35793	0.9
73.02911	1.0
78.04720	2.7
79.05499	5.6
81.03413	3.7
84.08157	1.6
85.02927	8.3
91.05492	10.4
91.75873	1.1
93.03403	3.4
93.07096	1.8
95.01275	1.6
95.04990	2.0
97.02869	2.3
103.05476	4.5
105.07031	8.4
106.04197	1.8
107.04961	30.2
108.05326	2.8
109.02902	2.1
110.03656	3.8
111.04443	4.7
115.05500	6.8
115.06165	1.2
117.07030	1.9
118.04204	1.5
119.04966	5.7
119.08581	3.1
120.08128	1.5
121.06503	2.3
123.04445	5.9
124.05228	3.6
125.06019	7.0
127.03926	2.3
128.06207	3.4
129.07005	4.7
130.04153	1.1
131.04944	6.6
131.08560	1.5
132.05698	3.3
133.02876	2.4
133.06497	6.2
135.04453	1.8
136.07512	1.3
137.05981	10.9
141.06993	2.1
142.32962	0.9
143.04861	1.5
144.05731	2.8
145.06500	2.2
147.04434	10.0
147.08035	5.8
148.75443	1.0
149.05981	2.6
151.03926	2.9
151.07578	3.0
152.04662	2.6
153.05476	23.6
157.06566	1.2
159.08105	8.3
160.05200	2.0
161.05981	8.3
163.07558	1.8
165.05521	1.3
167.07054	100.0
169.06465	2.5
172.05177	1.7
175.07559	38.6
175.09061	2.3
176.04703	2.4
177.05513	1.4
178.07753	2.4
179.07130	8.1
179.08566	1.9
184.05185	2.3
186.06786	2.4
187.07556	16.0
189.05502	4.2
189.07024	1.7
190.07748	2.3
191.07051	15.6
191.08614	2.8
193.08615	8.5
199.07555	10.7
201.09117	3.9
202.07809	3.7
203.08611	6.6
205.06543	3.5
205.10097	1.1
206.07248	3.0
207.08145	1.8
210.06801	1.2
215.06923	1.5
215.08722	1.8
216.07655	1.4
218.07314	5.5
219.08095	8.7
220.08911	4.6
221.05923	1.6
221.09721	2.9
223.07545	2.1
229.08653	3.4
231.07988	5.5
232.08839	4.1
233.05930	3.1
233.09676	4.0
234.06795	2.8
235.07550	4.8
236.08351	3.2
237.09151	3.0
243.08237	1.3
244.09171	1.3
245.06081	1.5
246.06796	3.5
247.07547	6.5
248.08322	7.2
249.05397	1.4
249.09099	7.2
251.06995	1.2
251.10669	4.6
253.08725	1.5
258.06918	1.5
259.07559	3.1
260.08398	3.3
261.05637	5.0
261.09076	6.9
262.09958	2.7
263.07074	4.5
263.10760	2.9
264.07800	5.6
265.08603	7.8
271.07596	1.4
273.09149	3.1
274.06152	2.1
275.07190	3.6
276.07819	12.2
277.08585	6.3
278.09390	4.2
279.07126	1.6
279.09937	5.1
281.11639	2.6
284.52396	1.2
287.05331	7.0
288.08057	1.5
289.08676	7.1
290.09348	3.6
291.06894	1.8
291.10159	6.6
292.07422	1.7
293.08105	6.3
293.11725	3.5
294.08649	1.9
295.09665	1.7
304.07361	2.7
305.08157	3.4
306.08945	2.6
307.09726	13.2
308.10394	7.8
309.11163	5.4
311.12823	4.1
319.09653	19.2
320.10474	3.8
321.07999	1.7
321.11218	11.6
323.12656	6.2
325.14310	2.3
326.11426	1.8
336.09888	1.5
337.10675	2.6
339.12274	43.1
340.12775	1.2
341.13800	12.2
351.12292	52.6
352.12823	2.9
353.13919	13.4
355.15170	1.5
369.13425	6.8
460.18820	3.0
461.18744	1.4
729.27905	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	729.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01869	1.3
57.03421	0.8
61.02932	1.2
65.03938	4.5
69.03437	4.8
70.06596	0.7
70.11935	0.9
70.12276	2.6
78.04702	2.4
78.30472	0.6
79.05489	5.5
80.47266	0.6
81.03416	1.9
82.04175	1.0
85.02901	5.8
86.09710	0.8
87.04469	0.8
91.05484	9.1
93.03407	4.7
94.04199	1.2
95.01318	0.8
95.04946	1.3
97.02887	2.0
101.75489	0.7
103.05475	5.2
104.06249	1.1
105.07027	7.2
106.04159	1.7
107.04962	16.1
108.05290	0.7
109.02906	1.9
110.03661	6.4
111.04448	5.1
115.05449	5.5
117.07021	2.4
118.04154	1.8
119.04966	7.9
119.08588	3.0
121.02841	1.1
121.06470	1.8
122.03670	1.5
123.04430	5.7
124.05214	2.5
125.06000	9.6
127.03938	0.9
128.06230	3.7
129.07021	5.6
130.04179	1.6
131.04945	7.4
131.08557	1.0
132.05688	2.7
133.02895	3.2
133.06497	5.1
135.04404	0.9
136.05180	1.2
137.05977	10.0
141.06982	2.2
143.06075	0.8
144.05661	2.0
145.04951	1.5
145.06480	1.7
147.04399	8.8
147.08107	3.5
149.05978	2.6
151.03922	1.6
151.07524	3.1
152.04701	1.6
153.05475	32.2
155.04973	0.7
156.05716	1.9
158.07230	0.7
159.08081	6.7
160.05217	1.9
161.06004	8.7
162.06743	1.1
163.03923	1.0
163.07483	1.7
165.05515	1.2
165.06941	1.0
167.07050	100.0
169.06514	1.9
171.04396	1.2
171.08083	1.8
172.05234	1.3
173.06012	1.9
175.07549	34.3
176.04669	1.7
176.07977	1.0
177.05415	1.9
177.06891	1.1
178.07884	1.6
179.07076	9.4
179.08568	1.6
184.05267	1.7
185.06017	1.0
186.06746	2.4
187.07556	16.5
188.07707	0.7
189.05447	4.3
189.07016	2.1
189.09036	1.6
190.07860	3.6
191.07042	15.1
191.08603	3.1
193.08597	6.8
193.10165	1.3
194.07202	0.8
195.08061	1.2
199.07561	13.4
200.08263	0.8
201.09125	3.8
202.07744	4.1
203.07077	0.7
203.08627	5.3
204.09293	1.7
205.06497	2.7
205.08340	0.9
205.10193	1.1
206.07266	2.6
207.06436	1.7
207.08081	2.0
208.08722	0.8
209.07970	0.8
215.07045	2.6
215.08617	2.1
216.07819	2.4
217.06474	1.1
218.07256	4.8
219.08090	8.7
220.08871	3.4
221.06122	1.5
221.09578	3.4
222.06830	0.7
223.07555	1.5
229.06686	1.3
229.08592	3.8
230.07402	0.9
231.08028	5.9
232.08864	2.7
233.06070	3.8
233.09679	4.1
234.06772	2.5
235.07521	4.6
236.08351	2.4
237.09106	2.6
243.08127	1.3
245.05968	1.5
245.09608	0.9
246.06738	2.5
247.07544	7.3
248.08379	5.3
249.05420	0.9
249.09129	7.5
250.06293	0.7
250.09851	2.0
251.07082	2.0
251.10718	6.3
253.08636	1.0
258.06775	1.6
259.07516	4.6
260.08325	3.3
261.05444	3.2
261.09119	5.6
262.06290	2.1
262.09921	2.4
263.07080	4.1
263.10706	4.0
264.07828	5.3
264.10547	0.8
265.08640	8.4
266.09235	0.8
273.05542	0.7
273.09097	2.2
274.06268	1.6
275.07135	4.0
275.09753	0.9
276.04892	1.1
276.07767	10.1
277.08643	8.1
278.06284	0.6
278.09482	3.7
279.07236	0.8
279.10089	5.0
280.07388	1.0
280.10751	1.6
281.08429	1.4
281.11749	3.1
283.09760	1.0
287.07043	1.1
288.07864	3.0
289.05389	1.2
289.08578	4.9
290.06308	1.2
290.09219	4.7
291.06992	1.2
291.10147	7.2
292.07352	1.5
292.10620	1.1
293.08069	6.4
293.11682	2.5
294.08945	1.8
295.09494	1.3
301.08511	2.1
303.10129	1.1
304.07349	4.0
305.08099	4.1
305.11453	0.9
306.08963	3.6
307.09628	16.3
308.10443	6.7
309.11240	4.6
311.12787	5.3
315.12396	0.8
318.08823	1.6
319.09665	24.2
320.10526	4.1
321.07608	1.3
321.11191	10.1
322.12088	1.8
323.09219	0.9
323.12750	9.5
324.09921	1.3
325.14203	0.9
326.11426	1.5
333.11374	1.0
336.09952	1.7
336.13583	1.4
337.10587	1.8
337.14172	1.4
338.11359	1.7
339.12277	57.6
340.12570	2.0
341.13873	11.8
351.12280	62.8
352.12570	3.3
353.13824	9.0
355.15488	1.3
369.13358	6.5
371.64661	0.7
376.13474	0.8
434.99051	0.8
499.18408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.88288	0.4
55.05513	0.9
57.03429	1.4
61.02929	3.8
67.05505	4.7
69.03441	2.7
69.07080	1.6
69.72879	0.8
69.73272	1.3
71.05009	0.6
73.02921	3.0
79.05499	3.0
81.03436	0.7
81.07050	5.3
83.08616	0.8
85.02912	3.7
91.03972	3.0
91.05493	1.6
93.07064	3.7
95.08607	2.7
97.02901	3.9
97.06516	0.6
99.04504	0.6
101.02386	1.5
101.23714	0.5
105.07035	0.9
107.08582	1.9
109.10189	1.1
111.08111	0.5
117.06981	0.4
119.08596	0.5
121.10153	1.6
127.03960	1.0
131.08571	0.7
133.10147	0.9
135.11667	0.6
149.13284	1.3
159.11746	0.8
167.16557	0.5
173.65829	0.4
185.04201	0.5
235.13220	0.6
243.08530	1.1
274.69232	0.4
453.20975	7.7
519.29193	4.1
637.80835	0.5
650.85809	0.4
662.33954	0.5
731.43408	100.0
732.43512	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	736.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
54.14611	0.3
55.01864	1.3
55.05512	3.1
56.00644	0.3
56.11600	0.4
57.03432	0.4
57.07058	0.4
65.03948	0.6
67.05505	7.3
69.03426	3.4
69.07066	2.4
69.80038	1.8
71.04978	1.2
73.02912	0.3
77.03922	0.4
79.05495	7.3
81.03416	5.9
81.07053	7.8
83.04977	0.9
83.08620	1.3
85.02923	2.0
85.06531	0.5
91.05475	3.9
93.07044	5.1
95.04969	2.4
95.08602	5.3
97.02892	3.5
97.06509	0.7
97.10157	0.7
99.04500	0.9
103.03915	1.0
105.04514	0.7
105.07029	4.5
107.04954	100.0
107.08583	3.0
108.05289	1.3
109.02898	1.5
109.06467	0.4
109.10157	2.6
111.04454	1.7
111.08110	0.4
115.05439	1.0
117.07034	2.7
119.08591	2.5
121.06500	1.7
121.10135	3.0
123.04423	0.4
123.08085	0.6
123.11697	0.7
127.03938	2.5
128.06226	1.1
129.07018	1.9
131.04936	2.9
131.08569	3.1
133.06488	5.2
133.10124	1.8
135.08063	1.0
135.11693	2.0
136.41435	0.4
139.11162	0.4
141.07001	1.1
143.08559	1.5
144.05728	0.7
145.05301	0.4
145.06503	7.5
145.10124	2.6
147.08052	2.6
147.11684	1.5
149.05952	0.5
149.09666	0.9
149.13242	1.0
153.06984	0.6
153.12888	0.4
155.06079	0.5
155.08600	1.2
157.06483	10.2
157.10138	1.1
158.07378	0.3
159.08035	3.4
159.11679	1.7
161.05940	0.3
161.09599	2.0
161.13283	1.2
162.43036	0.4
165.07021	0.8
167.08562	0.8
169.06490	2.9
169.10124	1.1
171.08023	4.1
171.11711	0.6
173.05968	1.9
173.09610	2.4
173.13243	1.0
175.11201	1.5
179.08534	0.8
181.06444	1.7
181.10100	0.4
182.07253	0.5
183.08060	3.8
183.11731	0.8
185.09602	4.2
187.07552	0.7
187.11201	2.5
187.14752	0.7
189.12778	0.5
193.10156	0.3
193.47939	0.4
194.07208	0.4
195.08014	2.2
196.08658	0.5
197.06017	1.5
197.09641	2.5
199.07596	1.0
199.11220	2.8
199.14746	0.4
201.12764	1.6
207.08086	1.0
209.09564	2.0
209.13428	0.4
211.07532	0.6
211.11198	1.8
213.12750	2.1
213.16144	0.4
215.07109	0.8
215.14378	1.1
221.09633	1.1
223.07584	1.1
223.11125	1.2
225.12787	2.1
227.10703	0.4
227.14345	1.2
229.15907	0.4
235.07578	0.5
235.20790	0.4
237.09090	0.5
237.12766	1.3
239.14259	1.0
241.15936	1.0
243.21072	0.4
249.12645	0.4
251.14316	1.5
253.12326	0.5
253.15833	0.4
259.20560	0.5
261.22235	1.0
265.12408	0.5
265.15921	0.5
273.22134	0.5
275.19946	0.4
277.11948	0.4
297.18494	0.7
301.21472	0.4
311.20023	0.4
351.23132	0.4
365.24710	1.6
367.22546	0.7
367.26425	6.7
369.24136	1.0
379.26605	0.5
385.27780	0.5
387.25232	0.8
391.26273	3.2
395.25739	0.3
403.25064	0.5
405.26208	0.5
409.27292	0.5
423.27249	0.4
433.27496	2.9
447.28778	0.7
457.27362	1.5
475.28452	2.9
493.29456	1.7
511.30478	1.1
529.31433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72949	1.3
55.01877	1.3
55.05509	8.2
57.03421	4.1
57.07079	28.7
61.02920	2.2
62.71399	1.3
63.75510	1.2
67.05511	40.7
69.07069	8.9
69.17570	1.4
70.54494	1.3
71.04996	15.2
71.08639	21.5
71.49165	2.4
74.09732	1.8
79.05506	10.1
81.07060	67.4
83.05006	2.5
83.08623	12.8
85.02927	2.3
85.06539	9.2
85.10190	11.4
86.45621	1.4
91.05487	14.8
93.07043	8.8
95.08611	22.7
97.06511	2.6
97.10159	4.3
99.11713	1.5
105.07011	5.1
107.08622	6.7
109.10152	15.2
121.10155	3.7
123.11716	16.1
127.07550	1.5
131.08598	3.8
133.10146	11.4
135.11697	2.6
149.13210	3.1
151.11209	4.6
159.11673	3.2
160.75566	1.2
169.12262	1.8
177.12756	2.3
183.13846	3.9
187.13287	5.2
201.14908	1.5
251.18300	1.4
269.17450	5.9
301.20111	17.5
304.26443	2.4
312.25394	1.4
313.27402	20.9
451.42383	1.4
481.38934	92.5
482.39133	3.3
495.40463	2.7
507.40720	7.5
539.43121	100.0
540.43512	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	738.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01871	0.9
55.05513	2.9
57.03428	0.8
57.07077	1.8
63.56209	0.2
64.06878	0.2
65.03944	0.4
67.05507	8.3
67.71314	0.2
69.03435	2.6
69.07073	3.4
69.58179	1.3
71.01311	0.2
71.04985	0.8
71.08641	0.5
77.03937	0.5
79.05502	6.1
79.65992	0.2
81.03426	6.0
81.07062	8.1
83.04974	1.6
83.08614	2.2
85.02898	2.1
85.06570	0.4
85.10204	0.4
91.05489	2.8
93.07046	4.6
95.04984	2.4
95.08614	5.7
97.02901	2.9
97.06531	0.7
97.10177	0.8
99.04456	1.0
99.08079	0.3
103.03947	0.6
103.05476	0.3
105.04523	1.1
105.07042	2.6
107.04962	100.0
107.08598	2.2
108.05302	0.9
109.02892	1.5
109.06548	0.4
109.10176	1.8
111.04440	1.8
111.08040	0.6
115.05447	0.5
117.07041	1.1
119.08585	1.6
121.02893	0.3
121.06555	1.5
121.10124	1.6
123.04427	0.4
123.08073	0.3
123.11701	1.5
125.09699	0.2
127.03927	2.4
128.06227	0.6
129.05537	0.4
129.07024	1.4
131.04930	2.7
131.08574	2.1
133.06497	9.3
133.10147	0.8
133.11479	0.3
135.08067	0.5
135.11694	1.4
137.09676	0.3
137.13231	0.4
141.06979	1.0
143.08588	1.0
144.05693	1.1
145.04976	0.7
145.06485	6.1
145.10152	1.0
147.08055	3.7
147.11711	0.6
149.05995	0.4
149.09576	0.3
149.13298	0.9
151.14886	0.3
153.06956	0.4
153.12730	0.2
154.03702	0.2
154.13698	0.2
155.06068	0.4
155.08562	0.9
157.06505	6.2
157.10147	0.5
159.08060	4.0
159.11699	0.5
161.09648	0.9
161.13248	0.9
163.11209	0.3
163.14844	0.5
165.12755	0.4
167.08577	0.5
168.05919	0.2
169.06520	1.8
171.08038	3.7
171.11748	0.6
173.05989	2.9
173.09644	1.9
173.13306	0.6
175.11305	0.3
175.14870	0.5
177.12645	0.4
179.08513	0.3
181.06509	0.8
181.10175	0.3
183.08057	2.7
185.09613	0.9
187.07570	0.6
187.11221	1.0
187.14832	0.6
189.12781	0.4
189.16331	0.3
193.12265	0.4
195.08087	1.1
197.06010	2.4
197.07585	0.3
197.08154	0.2
197.09651	1.8
199.07568	1.6
199.11224	0.7
201.12782	1.0
201.16383	0.3
203.14336	1.2
204.56470	0.2
209.09677	0.8
211.07599	0.5
211.11256	0.5
213.09148	0.5
213.12747	0.6
215.07016	0.9
215.14322	1.2
217.15904	1.4
221.09641	0.4
223.07645	1.4
223.11218	0.3
225.12733	0.7
227.10529	0.3
227.14302	0.8
229.15927	1.5
231.17502	0.4
235.07668	0.4
237.12910	0.3
239.14386	1.1
241.08723	0.6
241.15932	1.4
243.17494	1.1
249.09206	0.3
251.14354	0.5
253.15935	0.8
255.17560	0.7
257.15393	0.7
257.18991	0.5
259.16913	0.3
261.22110	0.6
263.23669	0.4
267.16049	0.8
269.15405	0.5
269.19080	0.3
271.17017	0.7
275.23856	0.4
279.17575	0.4
281.15411	0.6
283.16989	0.6
285.18506	0.6
291.17590	0.4
293.15347	0.4
295.17017	0.5
297.18509	0.5
303.23221	0.4
305.24680	0.3
307.16983	0.4
309.18259	0.3
313.27451	0.7
337.18015	0.3
341.24704	0.3
351.26843	0.6
365.21271	0.4
367.26437	1.9
369.27899	11.5
370.28217	0.5
371.25851	0.7
375.26709	0.4
385.27432	0.8
387.28955	0.7
389.27267	0.5
391.26315	0.6
393.27963	4.3
397.27505	0.3
405.27234	0.4
407.28656	0.7
409.27484	0.4
411.29047	0.5
417.27942	0.5
423.28708	0.6
431.29297	0.7
435.28989	5.6
449.30612	1.0
453.29437	0.3
459.28845	2.0
477.30124	4.6
478.30371	0.3
495.31104	3.0
505.38953	0.7
513.32025	1.5
531.33392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.05498	9.4
57.03432	5.8
65.46984	2.8
67.05511	36.8
69.03447	5.7
69.07065	9.3
70.23341	8.0
71.04975	3.3
72.20712	2.4
79.05500	60.6
81.03410	18.8
81.07056	38.0
83.04980	8.3
83.08614	6.5
85.02901	14.5
91.05486	52.0
93.06487	5.3
93.07050	74.4
95.04983	18.1
95.08604	16.0
97.02875	7.0
98.10478	2.4
104.98094	2.8
105.07037	37.3
107.04945	10.8
107.08597	17.3
107.09222	3.2
109.02882	15.1
109.06522	3.1
109.10102	3.5
117.07021	7.4
119.08592	21.5
121.06499	3.7
121.10153	7.0
123.08086	5.6
127.03919	46.0
127.07581	2.7
129.07005	10.8
129.76636	2.5
131.08540	3.3
133.10124	9.3
133.31842	2.6
140.65210	2.5
143.08551	7.1
145.10141	11.7
147.08051	4.3
147.11702	42.8
161.09540	3.4
161.13257	9.4
163.11269	2.8
171.11694	30.4
189.12802	12.2
207.13817	100.0
225.14799	13.6
259.83478	2.7
281.17480	45.7
333.16953	6.5
351.18027	30.3
369.19287	14.7
589.18036	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
54.00303	0.3
55.01872	0.4
55.05515	2.2
57.03428	0.4
57.07068	1.2
63.72907	0.2
65.03936	0.4
65.16309	0.3
66.88901	0.3
67.05508	4.3
69.03432	2.4
69.07071	3.0
71.04986	0.6
71.08626	0.5
73.02913	0.2
74.63228	0.3
76.14472	0.2
77.03922	0.6
79.05495	3.2
81.03426	5.0
81.07060	4.9
83.04988	0.5
83.07854	0.2
83.08625	1.9
85.02912	2.2
85.06580	0.3
85.95126	0.2
91.05482	1.6
93.07056	2.0
95.04958	2.1
95.08614	3.7
97.02892	2.7
97.06517	0.6
97.10174	1.1
98.21525	0.6
99.04475	0.8
103.03963	0.5
105.04510	0.8
105.07022	1.9
107.04961	100.0
107.08575	1.3
108.05303	0.9
109.02867	1.7
109.10160	1.7
111.04452	1.3
111.08096	0.3
111.11656	0.3
112.95213	0.2
115.05482	0.5
117.07039	0.5
119.04929	0.3
119.08596	1.3
121.06501	0.8
121.10167	1.5
123.04478	0.5
123.11718	0.5
126.15282	0.2
126.24955	0.3
127.03918	2.7
129.07057	0.6
131.04941	1.8
131.08557	0.8
133.06502	11.9
133.10104	1.1
135.08058	0.4
135.11693	1.5
141.07050	0.4
143.08629	0.4
144.05725	0.6
145.04974	1.1
145.06493	3.3
145.10126	0.6
147.08057	4.4
147.11678	0.4
149.06001	0.3
149.13258	0.3
157.06514	2.9
159.08084	2.2
159.11708	0.5
161.06006	0.3
161.09622	0.6
161.13333	0.3
169.06430	0.6
171.08038	1.8
173.05995	2.7
173.09743	0.4
175.11328	0.3
183.08043	0.5
185.05891	0.3
185.09593	0.7
187.07611	0.5
197.05954	3.1
199.07574	0.8
199.11247	0.5
209.09488	0.3
213.12724	0.4
215.07133	1.1
219.17418	0.3
223.07547	0.5
223.47453	0.3
224.00768	0.3
227.14351	0.5
233.18996	0.4
245.15466	0.6
245.19119	0.6
254.15445	0.3
257.19049	0.6
259.17059	0.5
259.20544	0.5
265.25366	1.0
271.20657	0.4
273.18497	0.4
276.47076	0.3
305.24854	0.3
306.27975	0.6
335.25650	0.5
353.28256	1.6
369.27896	2.6
371.29492	11.6
373.27371	0.8
387.29050	0.7
389.26886	0.8
391.28577	1.0
395.29654	1.6
407.28241	0.5
409.29568	1.3
419.29651	0.4
437.30530	6.4
451.32156	1.3
455.31555	0.3
461.30621	2.1
479.31586	4.4
497.32523	1.6
515.33722	1.2
519.67889	0.3
543.37616	0.3
583.62793	0.3
659.84082	0.3
740.46307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01867	3.1
55.05279	1.1
55.05510	13.9
57.03202	1.0
57.03437	9.5
57.07054	1.4
61.02921	1.1
65.03924	2.4
67.05502	42.8
69.03420	1.5
69.07067	13.3
71.04991	3.3
73.02918	1.2
78.16631	0.7
79.05490	34.6
81.03402	2.5
81.07054	42.6
83.04962	2.4
83.08616	9.5
85.06523	1.5
91.05474	15.5
93.07041	48.0
95.04951	6.8
95.08604	48.5
97.02863	3.5
97.06528	3.4
97.10166	1.6
99.04424	2.8
105.04498	1.2
105.07024	11.9
107.04955	8.6
107.08588	30.4
108.08903	0.7
109.06530	2.3
109.10141	12.0
111.08091	0.9
117.07017	8.1
119.08586	13.2
121.06539	3.4
121.10128	20.0
123.08050	1.3
123.11693	2.7
125.05991	2.1
130.07777	1.4
131.08566	4.9
133.10138	5.7
135.08040	1.5
135.11688	38.3
136.12035	0.9
139.07520	1.6
145.10117	24.2
146.10451	0.8
147.11653	3.3
149.13219	2.2
153.12778	0.8
159.11649	2.2
161.13295	1.5
163.11171	44.2
163.14813	1.4
173.13226	2.0
181.12216	6.4
187.14766	1.1
199.14792	0.7
200.07826	0.7
201.16374	0.7
209.11678	1.8
213.07433	1.0
227.12773	55.8
243.21140	2.4
261.22101	7.1
283.15390	48.3
284.15604	1.2
317.24765	1.6
325.88547	0.7
335.25793	100.0
336.26160	2.0
374.16040	0.7
543.36804	75.9
544.37030	4.8
607.79535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01871	3.5
55.05268	1.5
55.05513	17.3
57.03439	10.9
57.07059	2.0
58.55785	0.9
61.02914	1.5
65.03934	1.8
65.32953	0.7
67.05506	44.1
69.03418	2.5
69.07069	13.4
69.45724	7.4
71.04986	3.3
71.08613	1.0
72.77724	1.2
73.02924	1.3
77.03925	1.6
79.05495	42.7
81.03417	3.1
81.07059	43.8
83.04987	3.2
83.08633	10.5
85.02901	1.3
85.06532	0.9
91.05485	18.4
93.07047	60.8
95.04977	7.7
95.08609	56.5
95.36788	0.8
97.02909	5.3
97.06523	5.9
97.10171	2.3
99.04462	3.3
105.04543	2.0
105.07040	14.7
107.04951	11.5
107.08598	38.5
109.06561	2.4
109.10152	13.2
111.04437	1.5
111.08115	1.6
117.07005	10.1
119.08585	15.0
121.06501	5.8
121.10150	20.4
123.11714	2.7
123.44835	1.0
123.87479	0.9
125.06071	2.0
125.09660	1.1
128.16632	1.0
129.07008	1.2
130.07796	2.3
131.08571	6.1
133.10130	8.6
135.08075	2.8
135.11693	54.0
136.62613	1.1
137.13292	1.5
139.07520	3.6
145.10121	33.4
147.11699	2.8
149.13263	3.0
159.11688	2.6
161.13290	1.9
163.11182	59.3
164.11504	1.4
166.54318	0.9
173.13269	2.0
175.14861	1.2
181.12212	10.5
209.11780	3.6
227.12790	83.7
228.13327	2.0
243.21097	3.7
255.92409	1.1
261.22128	9.9
283.15399	100.0
284.15793	2.2
284.63928	1.0
317.24756	2.5
335.25812	92.4
336.26175	3.3
442.89362	1.1
543.36823	89.3
544.37634	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	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01871	7.1
55.05514	25.8
57.03442	18.3
57.07069	4.1
59.04998	2.2
61.02932	6.0
65.03940	1.7
67.05505	59.9
69.03416	3.1
69.07066	14.1
69.21638	8.8
71.01371	1.3
71.04980	4.5
71.05322	1.0
71.08637	1.1
77.03919	1.0
79.05497	46.7
80.01588	1.0
80.05805	1.0
81.03069	1.1
81.03431	11.8
81.07058	57.0
83.01333	7.5
83.04974	12.4
83.08620	16.5
85.02906	7.6
85.06538	3.0
86.63169	0.9
89.15945	1.0
91.03970	1.7
91.05486	30.8
91.17979	1.0
93.07047	57.9
95.04964	10.0
95.08610	41.4
97.02891	3.7
97.06537	6.0
97.10189	5.5
99.04456	3.6
105.07036	20.4
107.04969	9.7
107.07883	1.6
107.08597	31.3
109.06523	5.2
109.10162	17.0
111.04448	2.7
111.08086	3.2
115.05380	1.2
117.07014	10.6
119.06142	1.1
119.08590	18.4
121.06509	4.1
121.10152	22.8
123.08083	9.2
123.11710	5.3
123.94122	0.9
125.09642	3.2
127.03935	1.5
129.06990	2.4
130.07796	1.2
131.08575	11.7
133.10129	11.3
135.08028	2.2
135.11700	20.6
137.09612	2.1
137.13281	1.7
137.31659	0.9
141.67574	1.2
143.08556	1.2
145.06422	1.4
145.10138	22.2
147.08014	1.3
147.11687	8.9
149.13269	5.4
153.12741	3.9
155.08588	1.2
157.10078	2.9
159.11659	7.2
161.13252	4.4
163.11197	23.4
163.14806	3.6
171.11760	1.3
173.09615	3.0
173.13258	5.4
175.14861	1.6
181.12207	3.4
185.13235	1.8
187.14723	1.8
189.11223	3.0
191.10637	3.9
193.12207	2.1
209.11740	7.6
211.13287	1.1
227.12828	10.7
233.22675	1.0
243.21063	5.8
259.20560	2.3
261.22147	17.7
261.57086	1.1
267.15942	2.2
283.15414	97.2
284.15729	2.3
299.23624	4.8
306.27908	1.4
317.24725	5.9
333.24155	1.8
335.25815	100.0
336.26050	2.9
451.32147	2.2
469.33017	1.3
487.50418	1.3
500.49866	1.0
506.38953	1.2
525.35907	3.2
543.36829	69.3
544.37079	2.7
614.25732	1.2
663.90466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2025
Annotation	UNII-7NMJ4SI4P6
Peak:m/z	Relative Intensity
53.03941	0.7
55.01893	0.3
55.05517	0.3
57.03434	0.2
61.02928	0.5
67.05505	0.3
68.99792	0.4
69.03430	10.0
70.06596	0.4
70.77404	0.5
71.05001	0.2
72.08169	0.3
73.54849	0.2
77.03928	0.4
78.77403	0.2
79.05503	0.4
81.03413	1.0
81.07024	0.3
85.02908	2.9
85.61862	0.3
86.09718	0.3
91.05492	0.4
91.89410	0.2
93.07040	0.3
95.04968	0.8
95.09892	0.2
97.02889	2.1
99.04478	0.6
103.05467	20.4
105.03397	0.3
107.04956	5.7
108.05276	0.2
109.02859	1.1
111.00768	0.4
119.23563	0.2
120.08074	0.3
120.20435	0.2
121.02845	1.6
127.03925	3.9
129.07008	0.3
131.04930	100.0
132.05283	1.1
133.02875	0.4
137.02335	0.4
137.05978	0.4
142.71898	0.2
145.04936	0.4
147.04359	0.7
149.06010	1.3
153.01825	2.5
165.01854	1.3
183.02902	0.5
185.05911	0.3
213.05461	0.6
231.06613	0.5
241.04973	0.7
258.05249	0.9
259.05859	0.3
275.09119	4.2
287.05505	80.5
288.05743	1.5
293.10196	7.7
403.70026	0.3
432.44836	0.2
590.57129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.203
Annotation	Kaempferol 3- [ 6'''-p-coumarylglucosyl- (1->2) -rhamnoside ]
Peak:m/z	Relative Intensity
51.70279	0.2
53.03953	1.0
54.86284	0.2
55.01851	0.3
56.59261	0.2
57.03426	0.4
61.02923	0.5
64.76094	0.2
65.03927	0.3
69.03432	6.0
69.43213	1.2
69.43616	0.4
70.06599	0.3
71.04958	0.2
71.30384	0.2
74.24732	0.2
74.66914	0.2
77.03930	0.6
79.05473	0.2
81.03422	2.4
81.07015	0.2
85.02915	2.9
86.09709	0.2
95.04967	0.7
97.02889	2.7
99.04457	0.6
103.05472	25.2
104.05836	0.3
107.04964	2.7
108.05271	0.2
109.02882	1.2
111.00791	0.3
121.02865	3.9
127.03930	4.2
129.18619	0.2
131.04933	100.0
132.05251	1.4
133.02895	0.4
137.02332	0.5
145.04951	0.4
147.04422	0.8
149.05984	3.7
153.01834	2.2
165.01874	1.1
176.58939	0.2
182.40213	0.2
183.02855	0.3
185.05988	0.3
213.05440	1.0
231.06613	0.2
241.04959	0.7
275.09161	5.4
287.05511	62.8
288.05829	1.4
293.10208	4.6
329.06470	0.4
389.13672	0.3
449.10825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
53.04149	1.1
54.31868	1.1
55.01855	2.1
55.05509	16.0
57.03435	10.3
57.07076	1.1
61.02900	1.5
61.59237	1.0
65.03924	2.3
67.05505	40.1
68.73137	1.1
69.03411	3.9
69.07076	10.4
71.04977	4.0
79.05490	31.3
81.03418	44.6
81.06596	2.0
81.07053	37.4
83.04987	11.3
83.08617	17.7
83.58563	1.1
85.02905	15.8
85.06499	1.8
91.05479	27.6
93.07040	29.9
95.04973	19.2
95.08606	26.7
97.02871	4.2
97.06523	3.5
97.10152	3.4
97.28343	1.0
99.08129	1.3
105.04500	1.3
105.06318	1.4
105.07027	21.7
107.04940	5.8
107.08598	16.5
109.06512	3.9
109.10146	10.4
111.04429	2.5
111.08082	7.1
113.06020	1.3
115.05426	1.3
117.06996	2.6
119.08575	16.6
121.10138	14.4
123.08085	1.4
123.11672	3.8
125.09628	1.6
129.07002	7.0
131.08565	11.2
133.06532	1.3
133.10135	12.3
135.11681	5.6
137.09619	1.3
142.07796	1.4
145.10089	4.8
145.11183	1.1
147.08023	1.8
147.11674	12.5
149.09598	4.8
149.13234	2.4
151.11218	1.2
157.10120	11.0
159.11716	2.9
161.13239	2.3
163.11076	1.5
163.14790	1.2
165.12733	3.7
173.13254	1.9
175.11188	10.2
187.14796	1.4
193.12251	34.8
211.13287	51.2
227.12793	1.5
243.21053	2.0
261.22107	5.1
267.15900	9.0
285.16971	45.5
286.17081	1.1
317.24866	1.4
335.25787	49.8
336.26025	2.4
435.32529	1.2
527.37390	8.6
545.38367	100.0
546.38617	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01873	3.5
55.05515	25.4
57.03164	0.9
57.03443	15.7
57.07066	2.2
59.04993	1.0
61.02927	3.6
61.55106	0.8
65.03945	4.1
67.05508	64.0
69.03445	5.3
69.07073	18.7
70.52905	2.5
71.05006	5.6
73.02925	2.2
77.03918	0.9
79.05498	50.8
81.03423	52.2
81.07061	67.7
82.07364	1.1
82.72242	0.9
83.04993	13.0
83.08154	1.7
83.08621	22.4
85.02911	22.5
85.06541	3.1
91.03976	1.3
91.04906	1.8
91.05486	45.4
93.07049	53.5
95.04977	24.5
95.08609	48.0
97.02905	5.5
97.06520	5.2
97.10162	5.3
99.08102	1.9
105.04486	1.5
105.07036	30.3
107.04961	9.3
107.08601	24.0
109.06493	6.3
109.10159	13.2
111.04435	1.3
111.08078	8.7
113.05999	1.8
115.05471	1.6
117.07019	6.2
119.04952	1.0
119.08588	24.6
119.09378	1.9
121.06543	2.1
121.10151	23.1
121.11024	1.3
123.08083	2.9
123.11707	4.4
125.09620	1.7
127.04005	0.9
129.07013	9.0
131.08583	18.6
133.06502	2.0
133.10150	17.0
135.11699	10.8
137.09601	1.5
137.13306	1.2
142.07803	3.2
143.08563	1.5
145.10114	8.0
147.08073	2.8
147.11693	17.0
149.09618	3.6
149.13240	5.9
151.11125	1.2
155.08513	1.1
157.10147	12.7
159.11684	6.4
161.13280	2.5
163.11102	1.3
163.14850	3.5
165.12804	2.9
173.13290	4.4
175.11192	12.4
175.14842	2.0
177.89702	0.9
185.13301	1.7
187.14793	2.3
193.12259	34.5
194.78403	0.9
195.13847	1.2
211.13292	47.0
228.66045	0.9
243.21071	2.9
250.73074	1.1
259.20499	2.0
261.22119	11.6
267.15887	14.1
269.17499	4.2
277.21603	1.9
285.16977	54.0
286.17392	1.0
317.24728	2.2
335.25809	86.5
336.26068	2.3
351.25256	1.1
435.32404	1.9
453.33722	1.4
471.34741	1.3
519.25104	1.0
527.37238	13.2
545.38403	100.0
546.38580	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01866	3.7
55.05513	32.6
57.03440	19.2
57.07062	3.8
65.03935	3.4
67.05510	84.5
69.07074	34.7
71.04976	7.6
71.83782	2.8
75.08408	3.0
79.05078	5.9
79.05499	80.7
81.03416	27.6
81.06600	5.6
81.07059	100.0
83.04982	9.9
83.08624	19.9
85.02890	4.2
85.06556	7.0
91.05490	67.1
91.06040	6.9
93.06491	5.7
93.07048	96.8
95.04987	16.7
95.08619	40.4
97.06516	12.2
97.10185	3.3
99.08119	3.5
105.04485	3.8
105.07030	64.7
107.04982	9.1
107.08604	44.4
107.95053	3.0
109.06510	5.0
109.10160	15.6
109.59013	3.3
111.08092	9.7
117.07019	25.6
119.08591	60.2
121.06533	4.5
121.10159	44.2
123.11746	5.5
129.07001	12.3
131.08551	32.9
133.10133	45.4
135.11685	22.9
143.08565	10.3
145.10127	19.6
147.08040	4.4
147.11684	40.3
149.13268	40.8
150.96719	3.8
155.08499	4.1
157.10095	9.7
159.11703	27.6
161.13255	24.4
163.11250	4.0
171.11665	12.6
173.13274	14.8
175.11162	4.0
175.14864	8.1
177.12785	7.0
185.13356	8.1
193.12302	5.1
195.13837	10.0
199.14841	7.3
231.21101	10.0
241.19551	26.0
259.20593	79.4
261.22186	7.4
267.15894	31.2
269.17487	87.6
315.23145	7.9
333.24222	51.1
335.25681	17.2
435.32642	4.3
453.33524	6.0
519.04779	3.8
527.37384	77.8
545.38092	22.2
566.30017	3.5
671.40765	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42879	1.8
53.03941	4.1
55.01862	2.7
55.05270	2.2
55.05513	23.3
57.03445	16.8
57.66870	2.0
61.02912	3.9
65.03936	2.9
66.16515	1.9
67.05508	59.5
69.03414	1.9
69.07069	13.6
70.77448	3.7
70.77775	2.5
71.04977	5.9
73.02877	2.2
79.05495	44.2
81.03422	52.3
81.07057	59.1
83.04987	15.2
83.08620	23.5
85.02908	23.1
85.06531	2.3
91.05484	38.1
93.07052	42.3
95.04976	24.2
95.08614	34.4
97.02872	4.6
97.06521	5.5
97.10154	6.2
103.05410	2.4
105.07039	31.9
107.04942	5.9
107.08584	20.0
109.06518	4.0
109.10155	15.1
111.08079	10.1
113.06073	2.2
117.07022	4.6
119.08578	25.2
121.06503	3.2
121.10153	17.6
123.08015	3.6
123.11702	5.7
123.94313	1.9
125.09668	1.8
129.07022	9.9
131.08559	16.6
133.06511	3.3
133.10123	15.5
135.11694	9.5
142.07869	2.1
145.10126	4.2
147.11703	16.0
149.09651	4.3
149.13295	4.6
157.10173	13.2
159.11676	6.0
161.13228	3.8
163.14842	2.2
165.12680	2.8
167.03967	1.9
173.13274	3.8
175.11186	13.3
175.14690	2.2
193.12251	48.4
211.13289	76.1
212.13596	3.3
243.21117	3.4
258.04080	1.9
261.22156	9.7
265.10074	1.9
267.15952	18.1
285.16974	83.6
317.24896	2.4
335.25821	77.5
336.26230	3.0
435.32251	2.5
437.34653	2.0
442.20224	1.8
453.33521	4.5
490.52899	2.0
527.37354	12.5
545.38422	100.0
546.38666	5.7
590.20703	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01863	2.7
55.05317	1.0
55.05518	12.8
57.03438	10.1
57.07083	1.5
58.36847	1.0
61.02907	1.9
65.03947	1.4
67.05508	37.1
67.22067	1.1
68.05826	1.2
69.03441	2.7
69.07059	8.3
69.19654	2.7
69.20072	8.2
71.05003	3.9
77.03960	1.2
79.05495	27.3
81.02939	2.0
81.03419	35.5
81.07059	37.9
82.98812	0.9
83.04977	10.0
83.08620	14.2
85.02903	13.5
85.06538	1.2
91.05486	21.1
91.06031	1.9
93.07053	27.8
95.04969	16.8
95.08616	25.1
97.02911	1.7
97.06512	3.1
97.10149	2.9
105.07042	17.1
107.04975	5.3
107.08602	15.7
109.06535	2.8
109.10155	8.9
111.08146	5.7
111.23022	1.1
117.07030	3.0
119.08594	16.7
121.10153	12.4
123.08111	1.4
123.11730	3.6
129.07001	5.2
131.08565	9.3
133.06505	2.1
133.10144	8.8
135.11699	5.8
137.09625	1.3
137.13217	1.0
145.10121	4.7
147.08066	1.9
147.11690	11.8
149.09637	2.9
149.13281	3.1
157.10158	7.1
159.11687	1.9
161.13295	2.5
163.11266	1.4
163.14861	1.4
165.12752	3.4
170.40858	1.0
173.13222	2.0
175.11230	7.8
175.14796	1.2
178.21513	1.1
187.14780	1.8
193.12245	24.5
202.37749	1.1
211.13292	32.0
227.12816	1.7
243.21111	1.8
261.22107	7.2
262.22284	1.2
267.15939	8.0
283.15408	1.6
285.16974	37.8
335.25821	61.6
336.26102	3.0
337.26633	1.2
527.37689	7.7
545.38385	100.0
546.38696	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	743.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62566	0.8
69.86154	3.7
70.06609	1.7
79.05509	1.1
81.23072	0.9
84.08167	1.1
88.39886	0.9
99.04472	2.1
107.04958	69.6
108.05268	1.2
123.19878	0.8
129.10039	0.9
142.55386	0.8
145.08717	0.9
148.52431	0.8
161.06090	1.0
161.31462	1.0
162.65514	0.8
167.07054	1.5
207.39963	1.0
215.49759	0.9
287.05423	2.0
309.07077	1.1
353.89505	1.0
429.15323	2.0
457.14291	1.2
473.83823	0.9
475.15808	35.9
476.15945	1.1
497.00357	0.9
497.14346	2.9
637.21289	4.0
683.71973	0.9
736.22015	1.1
743.25238	100.0
744.25464	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	743.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01860	0.3
55.05512	0.3
55.22983	0.1
57.03435	0.3
59.97203	0.1
63.02356	0.1
67.05508	1.7
68.05870	0.1
69.03428	0.2
69.07066	0.6
71.04973	0.1
71.08618	0.3
77.03938	0.5
79.05068	0.2
79.05494	2.8
79.57227	0.1
80.05823	0.2
81.03418	0.6
81.07053	1.8
82.07396	0.3
83.04964	0.2
83.08611	0.3
85.02885	0.2
91.05482	1.4
93.07053	1.4
95.04976	1.9
95.08608	1.1
96.08940	0.3
97.06558	0.2
98.21642	0.3
105.04531	0.9
105.07015	0.8
106.07316	0.2
107.04961	100.0
107.08573	0.9
108.05276	1.1
109.06541	0.2
109.10165	0.5
111.08071	0.2
117.07020	0.3
118.06518	0.1
119.04937	0.6
119.08587	0.5
121.02895	0.3
121.06496	0.3
121.10175	0.8
123.08058	0.2
123.11698	0.2
129.07016	0.2
131.04944	0.2
131.08562	0.6
132.08884	0.1
133.06509	2.1
133.10143	0.6
135.11711	0.3
137.05984	0.2
144.71497	0.1
145.06482	0.8
145.10078	0.2
147.08057	1.2
147.11694	0.4
148.12000	0.2
149.09631	0.4
149.13263	0.2
157.06505	0.3
157.10199	0.2
159.08081	0.4
159.11769	0.2
161.09671	0.1
163.14824	0.1
166.25812	0.1
167.14304	0.9
169.10170	0.1
173.09673	0.3
175.11229	0.4
179.14278	0.9
185.09647	0.2
187.11147	0.2
193.12289	0.4
194.12630	0.2
197.09639	0.2
198.31421	0.1
211.13249	0.3
212.13663	0.2
213.09132	2.1
225.09019	0.2
227.10735	0.2
261.22098	0.1
263.20166	0.1
269.17426	0.2
270.17679	0.2
271.17044	0.3
273.18494	1.4
277.21753	0.3
285.18542	3.5
286.17474	0.1
287.15045	0.3
287.20187	0.1
303.19827	0.2
317.25256	0.1
319.18600	0.1
333.27951	0.6
335.25687	0.8
336.26416	0.2
345.20764	0.3
347.22171	1.0
355.24850	0.2
359.22134	0.7
377.23468	0.4
379.22672	2.6
422.48071	0.2
425.32745	0.3
437.32632	0.4
441.60806	0.1
453.26282	1.3
528.37872	0.3
529.35278	1.2
531.36829	3.6
543.36816	0.3
546.38678	0.8
547.36420	0.2
635.38995	0.4
637.40802	1.2
743.44519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.12057	0.1
55.01870	0.2
58.23489	0.1
61.17102	0.1
65.22793	0.1
70.34943	0.4
72.10026	0.1
77.03919	0.5
79.05498	1.2
81.03403	0.1
81.81860	0.1
82.88870	0.1
85.02934	0.1
95.04956	0.9
105.04514	0.6
107.04957	100.0
108.05275	0.9
120.90263	0.1
134.11459	0.1
156.01610	0.1
213.09114	1.1
314.52045	0.1
491.10803	0.1
560.83984	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	744.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	0.2
69.20271	0.3
69.20687	0.5
70.06587	0.2
77.03934	0.3
79.05492	1.2
81.03426	0.2
85.02900	0.2
85.06544	0.2
86.09689	0.1
87.96992	0.1
95.04945	1.0
98.20681	0.2
101.57612	0.1
105.04498	0.4
107.04953	100.0
107.21024	0.1
108.05272	1.1
118.98315	0.1
119.04973	0.1
129.10332	0.1
130.10483	0.1
137.06020	0.7
145.08624	0.2
167.07043	0.1
174.15210	0.1
191.09187	0.2
213.09097	1.6
238.36243	0.1
242.29887	0.1
266.03555	0.1
297.13318	0.1
387.14453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71964	0.2
53.03950	1.2
55.01869	0.5
61.02926	0.2
62.06083	0.3
64.33543	0.2
67.05496	0.3
69.03439	0.9
69.07057	0.2
70.06606	1.5
70.55829	0.6
71.08302	0.2
71.08633	1.5
72.29951	0.2
73.02921	0.5
77.03912	0.3
78.21031	0.2
78.84490	0.2
79.05496	1.9
81.03413	0.7
81.07043	0.6
85.02914	1.7
86.06070	5.3
86.09726	0.3
90.53216	0.2
91.03955	0.3
91.05483	0.6
93.07047	0.4
95.04987	1.4
95.08620	0.2
96.08125	0.2
97.02898	1.2
97.04827	0.2
98.09716	0.5
99.04469	0.2
99.08105	2.0
101.02386	0.8
105.04507	0.8
105.07036	0.3
107.04956	100.0
108.05303	1.2
108.08124	0.4
109.02895	0.5
109.06522	1.1
111.08083	1.0
116.10727	2.4
119.08581	0.6
123.04417	0.2
124.07557	0.2
127.03929	0.9
134.09663	0.7
136.07628	0.3
137.06000	1.5
138.09192	0.3
142.12299	0.4
143.10695	0.5
145.04967	0.6
152.10701	0.6
163.05954	0.2
167.06990	0.3
170.11722	1.2
175.14830	0.4
180.10223	0.6
186.06168	0.2
198.11252	21.7
199.11655	0.3
213.09174	0.5
216.12314	18.5
261.13370	0.9
277.50540	0.2
296.18646	0.5
314.15915	0.2
314.19641	4.7
360.16568	1.3
378.17566	3.1
458.24603	0.4
476.25000	5.5
484.21732	0.7
485.21936	0.2
550.00525	0.2
646.26886	0.7
744.41943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.11381	0.2
55.01874	0.5
56.05021	0.3
61.02935	0.2
62.06080	0.4
67.07828	0.2
67.21497	0.2
69.03434	1.6
69.93788	0.6
69.94196	0.5
70.06590	0.7
71.04998	0.2
71.08624	1.5
72.08137	0.3
73.02949	0.5
77.03927	0.4
79.05487	1.7
81.03414	0.9
81.07043	0.6
85.02899	2.0
86.06069	5.9
86.09705	0.3
91.05499	0.4
93.07037	0.6
95.04966	1.5
95.08587	0.4
96.08124	0.4
97.02902	0.8
98.09684	0.2
99.04452	0.4
99.08101	2.3
100.54068	0.2
101.02369	0.9
103.05485	0.3
105.04486	0.6
105.07048	0.3
107.04955	100.0
107.08582	0.5
108.05267	1.3
108.08118	0.4
109.02894	0.4
109.06512	1.5
111.08086	1.0
116.09892	0.3
116.10717	2.9
119.08586	0.3
127.03924	1.1
131.04895	0.6
132.05295	0.3
133.10097	0.3
134.09648	0.7
136.07579	0.4
137.05971	0.9
138.09103	0.3
142.12274	0.4
143.10670	0.8
145.04982	0.6
152.10692	0.6
164.07063	0.2
170.11763	1.6
172.32716	0.2
175.14786	0.3
180.10202	0.9
198.11253	28.3
199.11653	0.2
213.09088	0.4
216.12309	23.9
217.12645	0.2
243.12340	0.3
261.13391	1.0
287.05463	0.3
288.05972	0.3
296.18451	1.0
314.19620	6.5
354.66299	0.2
360.16507	1.5
378.17599	3.3
458.24908	0.7
466.20535	0.3
476.24893	6.7
484.21472	0.8
522.21344	0.3
540.22589	0.6
638.29803	0.3
646.26105	0.5
673.07733	0.3
744.41461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01873	1.4
55.05277	1.2
55.05515	16.5
56.26655	1.0
56.53247	1.0
57.03445	9.9
57.07067	3.0
59.04977	2.3
61.02921	3.7
63.25714	1.3
65.03926	2.3
67.05509	78.7
68.05825	1.2
69.03427	2.2
69.07074	16.1
71.05000	6.0
79.05497	39.8
81.03431	5.6
81.07059	100.0
81.42133	1.2
82.07401	1.6
83.04981	4.6
83.08624	13.5
84.34641	1.1
85.02904	3.6
85.06545	9.2
91.03926	1.9
91.05483	26.8
93.07046	49.8
93.39149	1.1
94.07347	1.5
95.04961	5.2
95.08609	32.3
97.02894	2.1
97.06550	8.7
97.10154	3.1
99.08092	1.9
105.06511	1.1
105.07050	13.4
107.04971	14.2
107.08595	24.4
109.06528	3.5
109.10162	14.5
111.08070	4.8
115.05558	1.5
117.07011	9.0
119.08565	8.2
121.09348	1.4
121.10159	17.9
123.11723	12.1
131.08577	13.0
133.10149	14.7
135.08028	2.0
135.11684	13.7
137.13278	1.4
139.11208	1.2
145.10127	4.8
147.04396	1.2
147.11693	4.2
149.09570	1.5
149.13248	15.5
150.94397	1.2
151.11166	5.1
157.10068	1.9
159.11703	11.3
161.13307	2.9
163.14856	1.9
169.12209	2.5
173.13284	3.7
177.12733	4.2
187.13310	6.8
187.14754	1.7
193.12268	1.9
195.13829	5.2
213.14795	3.4
229.28212	1.5
234.34480	1.2
243.15918	25.0
243.21025	2.6
261.22125	8.5
269.17496	19.2
285.16736	1.8
287.18546	30.9
287.23587	1.9
316.03378	1.2
317.24731	1.3
335.25809	40.6
336.25809	1.7
337.26981	1.4
485.36191	1.3
503.37357	82.4
504.37665	2.1
529.38855	10.0
546.38794	1.4
547.39874	30.2
548.40497	1.5
745.40680	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01865	1.2
55.05511	16.0
57.03438	7.6
57.07077	1.9
58.83069	0.5
59.05000	3.0
61.02924	3.2
65.03941	3.5
67.05505	100.0
69.03428	2.2
69.07069	12.9
69.62446	3.2
71.01361	0.6
71.04996	19.5
73.02901	1.0
73.06548	0.6
79.05494	36.0
79.49763	0.6
80.06226	0.7
81.03422	3.8
81.07056	43.3
83.04974	4.1
83.08625	8.1
85.02903	3.4
85.06552	4.3
91.05480	25.9
91.48461	0.6
93.07042	43.2
95.04961	4.8
95.08609	33.1
97.02893	2.0
97.06525	4.7
97.10159	2.7
99.08092	1.5
105.04510	0.8
105.07030	11.4
107.04950	8.4
107.08590	20.9
107.85810	0.6
109.06512	2.1
109.10158	67.1
110.10506	0.7
111.08085	3.5
115.07542	0.7
117.07021	5.2
119.08584	17.3
120.08872	0.6
121.10150	18.5
123.08083	1.1
123.11713	3.0
125.09645	0.8
127.39362	0.6
131.08580	5.6
133.10129	7.8
135.08049	0.8
135.11694	17.7
136.12064	0.5
137.09625	9.6
137.13174	0.6
143.08543	1.2
145.04948	0.7
145.10115	9.5
147.11705	4.1
149.13249	3.9
151.11200	0.9
155.10704	3.3
157.10130	1.4
157.75046	0.6
159.11697	3.6
161.13246	3.1
163.11151	2.7
163.14833	1.3
165.12752	0.8
169.12277	1.6
171.11774	0.8
173.11771	6.8
173.13290	2.7
175.14876	0.8
181.12242	2.0
185.13345	0.7
187.13361	1.1
187.14894	1.1
193.12332	0.7
211.13248	1.5
213.14786	1.2
229.14413	1.9
243.15939	1.8
243.21251	0.8
255.15868	4.9
259.20615	1.0
261.22174	2.5
268.16266	0.6
285.16980	1.3
287.18524	15.6
317.24826	1.0
335.25775	28.5
336.26279	1.8
337.27405	1.4
397.30945	1.0
423.32993	0.9
471.34726	2.2
489.35748	98.0
490.35931	3.1
503.37421	3.3
515.37341	11.9
521.38434	0.8
547.39960	75.4
548.40399	3.4
691.44379	0.7
744.45233	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.05516	3.1
57.03434	2.2
61.02929	4.9
63.13461	0.5
65.03934	0.7
67.05511	7.4
67.77749	0.6
68.05865	0.8
69.03432	3.6
69.07066	1.6
70.20523	0.5
70.93604	1.1
70.93928	0.5
71.04987	0.9
73.02924	4.3
74.10603	0.5
79.05492	6.4
79.69791	0.6
80.05834	0.6
81.03415	2.4
81.07059	8.0
82.07406	0.6
83.04981	0.7
83.08620	1.1
85.02907	5.3
85.06567	0.6
91.03959	2.5
91.05483	4.9
93.07051	7.3
94.07393	0.7
95.04984	0.9
95.08611	5.2
97.02901	4.8
99.04455	0.8
99.08103	0.7
101.02400	1.6
105.07020	2.9
107.04987	2.1
107.08614	5.1
109.02906	1.0
109.10172	2.2
114.26088	0.5
117.07024	1.3
119.08614	1.7
121.10174	2.4
127.03902	1.4
131.08614	1.3
133.10178	1.5
135.11696	3.2
145.10162	1.2
146.53990	0.6
147.11732	1.2
149.13281	0.8
159.11743	0.6
163.11201	2.7
185.04224	0.8
219.10013	0.7
227.12759	1.8
243.08470	2.1
249.11003	10.6
249.13385	0.8
269.17529	0.6
285.17133	0.8
305.13885	0.7
317.53674	0.5
335.25928	1.8
336.26236	1.4
367.19040	0.6
385.48166	0.6
467.18967	4.9
503.37350	0.6
504.38132	1.2
519.29315	9.5
530.39063	0.9
547.39374	0.7
548.39886	1.8
595.81311	0.6
745.41327	100.0
746.41687	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05511	2.4
57.03441	2.2
61.02926	3.8
67.05507	5.6
69.03441	2.7
69.07069	2.0
71.05010	0.9
71.22525	1.2
71.82568	0.5
73.02943	2.9
79.05502	4.8
81.03429	2.9
81.07063	6.6
83.04971	0.7
83.08631	2.2
83.79265	0.5
84.08134	2.2
85.02914	3.6
91.03957	2.3
91.05490	3.3
91.05986	0.6
93.07049	6.4
95.04993	1.1
95.08628	5.4
96.08942	0.8
97.02898	3.9
99.04475	1.0
101.02373	1.2
105.07051	2.6
107.04962	2.7
107.07925	0.9
107.08575	4.2
109.02898	0.6
109.10164	2.2
112.45039	0.6
113.20215	0.7
114.59975	0.6
117.07022	1.2
119.08614	1.4
121.10164	2.6
123.11646	0.7
127.03949	1.2
131.08549	0.8
135.11713	4.0
145.05008	0.6
145.10165	2.2
146.09808	0.7
155.45512	0.6
163.11148	4.3
185.04268	0.6
219.09955	0.9
227.12823	2.8
243.08530	2.4
247.95857	0.7
249.11035	6.3
305.13684	1.2
335.25839	1.3
336.26270	0.8
416.91602	0.8
444.97476	0.6
463.60968	0.7
467.18927	10.1
468.19452	0.7
519.29315	4.5
548.39783	2.3
590.04028	0.8
685.48407	0.6
745.41302	100.0
746.41583	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	747.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48571	1.6
69.07098	1.6
69.45312	7.3
69.45724	2.6
81.07053	3.1
89.06036	2.2
93.07053	1.7
96.91426	1.3
109.10127	1.4
131.69275	1.4
145.10149	1.5
156.08054	1.3
158.31450	1.5
191.50754	1.6
232.18095	1.6
291.84955	1.5
555.91992	1.7
676.74066	1.5
747.40851	100.0
748.41388	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.00121	0.3
55.05512	1.3
57.03454	1.5
57.07073	0.3
61.02929	5.8
67.05505	5.1
69.03432	3.4
69.07063	1.4
71.04978	0.7
73.02915	4.7
75.04517	0.3
79.05492	3.1
81.03407	2.9
81.07055	5.2
83.08614	0.8
85.02904	5.4
91.03963	3.0
91.05495	2.9
93.07047	3.5
95.04962	0.8
95.08604	3.5
97.02895	4.0
97.06525	0.5
97.10174	0.3
99.04449	1.2
101.02399	2.0
105.07050	1.6
107.08582	1.7
109.02886	0.9
109.06510	0.3
109.10144	1.4
117.07050	0.6
119.08592	1.6
120.11383	0.3
121.10111	1.6
123.11750	0.4
124.67835	0.3
127.03919	1.3
129.06973	0.4
130.64943	0.4
131.08597	0.8
133.10144	1.2
135.11736	1.0
145.10179	0.5
147.11685	0.9
149.13290	0.5
157.10136	0.7
173.13350	0.5
175.11327	0.5
185.04247	0.3
193.12288	0.5
225.54175	0.3
243.08351	1.6
246.52576	0.3
249.69867	0.3
251.12608	0.7
255.96652	0.3
258.27560	0.4
292.32693	0.4
335.25800	0.7
469.20496	3.9
519.29370	7.2
519.37085	0.6
623.81476	0.4
747.42877	100.0
748.43298	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01870	0.6
55.05506	1.7
57.03437	1.4
57.69963	0.5
60.95413	0.5
61.02926	4.9
67.05498	3.5
68.13833	0.5
69.03426	3.2
69.07072	1.0
71.01339	0.5
71.05003	0.9
71.08618	0.9
71.49725	0.7
73.02915	3.6
79.05495	4.0
81.03418	3.9
81.07056	4.1
83.08621	1.4
85.02910	5.7
89.06030	0.8
91.03962	2.5
91.05473	3.7
93.07052	3.1
95.04968	1.2
95.08612	3.1
97.02902	3.9
97.06537	0.5
101.02388	1.6
105.07032	2.8
107.04982	1.2
107.08646	2.4
109.02910	0.9
109.10162	1.2
111.08056	0.9
119.08612	1.7
121.10167	2.0
123.11696	0.6
127.03908	1.1
129.07036	0.7
131.08629	0.8
133.08633	0.5
133.10150	1.1
135.11754	0.8
147.11737	1.3
149.09573	0.6
157.10135	0.9
166.27859	0.5
175.11285	0.5
193.12386	1.9
211.13274	1.1
243.08487	1.6
251.12636	3.3
307.15268	0.8
310.61490	0.6
321.21243	0.5
335.25797	0.6
363.06927	0.6
469.20508	7.0
519.29431	3.3
554.18811	0.5
747.42859	100.0
748.43280	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
53.81204	0.3
55.01871	0.5
55.05504	1.1
56.50206	0.4
57.03433	1.5
61.02926	3.9
65.03936	0.4
67.05505	4.2
69.03435	2.2
69.07067	1.5
69.38358	0.9
69.38763	1.8
73.02920	2.5
75.67529	0.3
79.05479	3.3
81.03424	1.5
81.07060	4.4
83.08649	0.8
85.02914	3.5
87.97494	0.4
91.03973	1.9
91.05487	2.7
93.07041	4.8
95.04979	0.4
95.08588	1.8
97.02885	3.2
97.06522	1.0
99.04483	1.2
101.02377	1.0
105.04535	0.4
105.07040	2.4
107.08585	2.4
109.02917	0.6
109.10181	0.6
117.07031	1.2
119.08589	1.4
121.10176	1.4
127.03954	0.6
127.26606	0.4
131.08607	1.2
133.10185	1.7
135.11723	1.0
143.08623	0.4
143.60719	0.3
145.10170	0.5
147.11720	0.7
149.13272	2.3
157.10188	0.4
159.11737	1.1
166.86108	0.4
167.08699	0.3
171.11665	0.4
177.12836	0.5
183.46918	0.3
185.04282	1.0
195.13838	0.5
219.01738	0.4
235.13177	1.4
243.08484	2.8
259.20642	0.6
268.90280	0.4
269.17657	0.5
273.14853	0.4
291.15866	0.5
301.09088	0.8
315.10660	0.7
317.21060	0.6
383.17078	0.4
453.20935	8.4
465.21066	0.7
499.98691	0.4
525.23187	1.1
535.28845	5.3
539.24847	0.4
677.36060	0.5
747.42889	100.0
748.43109	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.05507	1.7
57.03448	1.8
61.02930	4.4
67.05504	4.2
69.03436	2.9
69.07059	1.2
71.04990	0.5
71.49033	0.4
73.02921	3.8
77.33951	0.3
79.05498	4.0
81.03420	4.1
81.07053	4.7
83.08628	1.4
85.02911	6.2
85.06596	0.3
89.06052	0.6
91.03958	2.9
91.05482	3.2
93.07048	3.0
95.04969	1.5
95.08610	3.4
97.02903	4.3
97.06519	0.6
99.04459	1.2
101.02399	2.1
105.07037	2.2
107.04967	0.7
107.08593	1.4
109.02898	0.7
109.06500	0.5
109.10168	1.2
111.08059	0.5
117.07029	0.6
119.08606	1.7
121.10161	1.3
123.11745	0.5
127.03932	1.1
129.07043	0.7
131.08578	0.9
133.08627	0.6
133.10158	1.1
145.04919	0.4
145.10077	0.4
147.11713	1.5
157.10173	1.0
175.11246	0.5
185.04268	0.8
193.12207	0.8
201.54413	0.4
228.00749	0.4
243.08395	1.8
251.12518	0.8
307.15012	0.5
310.77283	0.4
454.92441	0.4
469.20477	9.0
519.29236	4.2
747.42877	100.0
748.43268	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	749.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01875	0.6
57.77003	0.3
69.03423	0.8
77.03922	0.4
79.05492	1.5
81.03419	0.8
81.14490	0.3
85.02906	1.3
90.49110	0.3
91.05392	0.3
95.04978	1.7
97.02892	0.4
105.04520	0.9
107.04958	100.0
108.05285	2.2
119.04872	0.4
121.06511	1.3
123.04431	1.5
126.21469	0.3
127.03990	0.4
129.03116	2.4
137.05988	0.5
141.14679	0.3
167.06805	1.5
185.04228	4.1
195.06277	3.6
203.05370	0.7
213.07349	29.1
227.10609	0.7
296.56274	0.3
309.09506	0.6
375.12558	2.1
419.16745	1.5
425.18069	0.4
435.16336	1.3
453.13962	0.9
463.15900	1.1
481.16830	38.5
482.17389	1.0
483.78317	0.4
633.41156	0.3
640.77893	0.4
643.22052	4.1
749.26270	21.8
750.26935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01880	0.7
55.05511	2.3
57.03432	2.7
57.07068	1.2
61.02929	6.5
65.03941	0.4
67.05183	0.6
67.05505	8.9
69.03432	7.0
69.07066	2.2
70.03767	0.6
70.06605	0.5
70.66480	0.9
70.66827	0.4
71.05003	2.9
71.08633	0.5
72.09031	0.4
73.02918	4.7
79.05495	5.0
81.03410	3.5
81.06598	0.5
81.07061	6.9
83.04194	0.3
83.04993	1.1
83.08621	1.8
85.02906	6.4
85.06553	0.6
87.04470	0.6
89.74459	0.4
91.03958	3.0
91.05486	3.6
93.07050	5.2
95.04419	0.6
95.04960	3.1
95.08610	6.9
96.25613	0.3
97.02894	5.6
97.06544	1.0
97.10167	0.4
99.04480	0.9
99.08115	0.5
101.02366	1.9
105.07022	3.0
105.50970	0.4
107.04958	2.4
107.08601	4.7
109.02880	1.1
109.06558	0.6
109.10158	4.7
110.10536	0.4
111.08125	0.8
117.07018	1.1
119.08587	3.5
121.10148	4.4
122.10563	0.4
123.08038	0.7
123.11729	1.5
125.09700	0.5
127.03918	1.8
129.06999	0.4
131.08580	2.5
133.10149	1.9
135.08134	0.5
135.11714	1.8
137.09673	1.6
141.09109	0.4
143.08533	0.5
145.10172	1.9
147.11707	1.3
149.13242	0.9
151.11171	0.5
157.10135	1.3
159.11729	1.5
160.12158	0.4
161.13272	2.2
165.12830	0.5
169.10153	0.7
169.12262	0.4
171.11751	1.0
172.11929	0.4
173.13306	1.2
183.11743	0.7
185.04242	0.6
185.13232	1.0
186.13765	0.4
187.14862	1.1
189.16515	0.5
199.14911	0.6
201.16379	0.7
209.13327	0.5
211.14957	0.5
214.16734	0.4
215.17909	0.4
225.16383	0.4
227.17953	0.9
231.17397	0.4
243.08475	2.6
245.19058	1.1
246.19427	0.5
253.14183	1.2
257.18994	0.6
259.20697	0.8
267.15939	1.2
276.91809	0.4
295.20819	0.4
295.24216	0.8
309.17050	0.6
311.23825	1.0
313.24902	1.9
314.25476	2.3
335.26004	0.7
337.25601	0.5
346.92609	0.4
349.25394	0.4
363.26880	0.9
364.27246	0.6
381.27881	4.2
382.28204	4.6
436.32849	0.6
454.33963	0.8
471.22079	4.4
519.29388	8.2
582.99713	0.4
749.44403	100.0
750.44647	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	750.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03746	0.1
53.03951	1.6
55.01859	0.3
55.05495	0.2
57.03421	0.2
57.07076	0.3
57.23368	0.2
67.05502	0.4
69.03422	0.4
69.07066	0.6
69.12154	1.6
70.06576	0.4
77.03926	0.5
79.05497	1.6
81.03409	0.8
81.07068	0.6
83.08645	0.2
85.02908	0.9
85.06541	0.7
86.09715	0.3
87.99249	0.1
91.05476	0.5
93.07032	0.5
94.24973	0.1
95.04973	1.5
95.08620	0.3
96.08129	0.3
97.02879	0.6
97.06537	0.2
103.05470	4.4
103.06151	0.2
105.04518	0.7
105.07033	0.2
107.04958	100.0
108.05280	1.3
108.08128	0.3
109.02882	0.5
109.06487	0.3
109.10123	0.2
110.09678	0.5
111.10027	0.2
111.11718	0.5
116.10735	0.3
120.08077	0.4
121.02840	0.3
127.03915	1.1
127.07548	0.9
131.04930	17.1
132.05270	0.3
133.10089	0.2
136.07587	0.3
137.06001	0.8
138.06361	0.2
138.09114	0.5
143.08617	0.2
145.04938	0.4
145.06578	0.2
145.08603	0.4
145.33923	0.2
147.04366	0.2
147.11693	0.2
149.06018	0.6
159.11749	0.2
166.08656	0.4
188.47649	0.2
191.07025	0.2
214.18010	1.1
217.17966	0.3
224.75143	0.2
233.08124	0.3
242.28766	0.2
250.10863	0.2
251.11658	0.2
253.08589	0.1
263.11734	0.2
264.12231	0.3
275.09210	0.6
277.09747	0.2
288.48413	0.1
293.10208	0.3
299.11426	0.5
307.10748	0.2
317.12360	0.3
337.12073	0.2
338.12274	0.2
341.12543	0.4
342.13235	0.3
343.14230	0.4
344.14825	0.2
354.13507	0.2
355.14502	0.7
356.14883	0.5
368.14508	0.2
369.11813	0.2
379.10211	0.3
383.13913	0.2
401.14786	0.2
402.15408	0.3
407.97141	0.2
413.15186	0.5
414.15247	0.6
425.32217	0.1
429.14777	0.4
430.14960	0.3
441.14661	0.1
443.16068	0.3
444.16412	0.4
447.16559	1.6
461.17120	1.2
462.17349	1.3
465.17603	1.5
490.19254	0.2
491.20233	0.3
517.35748	0.2
585.25098	0.2
588.21155	0.3
595.22931	0.3
612.24652	0.2
626.25189	0.8
627.25244	2.8
628.26099	0.2
750.45630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
54.02869	0.2
55.01870	0.4
55.05515	0.5
57.07075	1.0
61.02923	0.3
67.05518	0.3
69.03437	2.2
69.07087	0.4
69.68081	0.2
70.06605	0.5
71.05014	0.4
71.48306	0.3
72.28336	0.2
77.03934	0.6
79.05493	1.9
81.03419	1.5
81.07063	1.2
83.04962	0.3
85.02901	3.3
85.06546	2.1
91.05482	0.5
93.07029	0.6
94.04388	0.2
95.04971	1.9
95.08604	0.9
97.02890	4.8
99.04440	1.4
103.05470	9.7
103.06161	0.5
105.04511	1.1
105.07040	0.4
107.04958	100.0
108.05306	1.0
109.02885	0.9
109.10142	0.6
123.11703	0.6
127.03921	1.9
127.07568	0.5
131.04932	63.7
132.05283	0.7
133.10123	0.3
135.11674	0.3
145.04973	2.2
145.08617	3.0
145.09760	0.3
145.10117	0.2
149.05994	7.3
229.10649	0.4
242.09399	0.2
271.37286	0.3
275.09134	1.9
275.16357	0.3
289.12796	0.4
293.10193	17.5
317.12079	0.5
413.30322	1.4
431.31387	1.5
447.16296	0.7
449.32129	0.4
465.17633	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	750.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01874	0.3
55.05509	0.1
57.03442	0.1
57.07071	0.2
61.02916	0.1
65.03934	0.1
67.05508	0.2
69.03438	0.6
69.07047	0.1
70.06591	0.2
71.04995	0.2
71.48095	0.1
77.03916	0.6
79.05491	1.6
81.03413	0.9
81.07053	0.4
84.08138	0.1
85.02914	1.0
85.06561	0.7
91.05524	0.1
93.07060	0.1
95.04961	1.6
95.08603	0.5
97.02900	0.9
97.06524	0.1
99.04478	0.4
103.05471	5.8
104.05788	0.1
105.04498	0.9
105.07014	0.1
107.04958	100.0
108.05286	1.3
109.02896	0.2
109.10152	0.2
116.10724	0.3
119.08595	0.2
125.06031	0.1
127.00642	0.1
127.03944	0.6
127.07551	0.1
131.04930	30.4
132.05266	0.6
133.10110	0.1
135.11758	0.1
145.04958	0.5
145.06100	0.1
145.08620	0.9
145.09769	0.1
149.05980	1.4
149.13326	0.1
159.11708	0.1
209.09659	0.4
214.18044	0.1
237.09061	0.2
271.11737	0.1
275.09164	0.8
293.10208	5.2
293.69345	0.1
299.11218	0.1
317.12158	0.2
328.24677	0.3
413.30576	0.4
419.16943	0.2
426.31577	0.1
430.30255	0.1
431.31616	0.5
447.16376	0.4
448.31226	0.1
449.32385	0.1
465.11914	0.1
465.17560	1.6
583.83386	0.1
782.13263	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01878	0.4
55.05515	0.1
57.07076	0.3
66.24572	0.1
67.05503	0.2
69.03426	0.8
69.07062	0.2
69.12196	0.3
69.12617	0.8
70.06589	0.2
77.03551	0.1
77.03909	0.7
78.04723	0.1
79.05498	1.7
81.03414	0.7
81.07059	0.7
82.07434	0.1
83.08627	0.2
85.02903	0.8
85.06548	0.7
90.59087	0.1
91.05473	0.2
93.07027	0.2
95.04974	1.5
95.08598	0.4
97.02901	0.9
97.06477	0.1
99.04463	0.3
103.05469	6.0
105.04520	1.0
105.07024	0.1
107.04955	100.0
108.05274	0.8
109.02888	0.2
109.06476	0.1
109.10134	0.3
116.10726	0.3
119.08632	0.1
121.06526	0.1
121.10135	0.2
123.11634	0.1
127.03911	0.6
127.07529	0.1
131.04927	30.1
132.05286	0.3
137.13237	0.1
139.03860	0.1
145.04967	0.4
145.08589	0.7
149.05988	1.2
191.07112	0.1
209.09552	0.4
214.18053	0.2
237.09041	0.2
271.11804	0.1
275.09174	0.7
293.10202	6.0
317.12134	0.2
328.24722	0.4
413.30295	0.4
419.16489	0.1
426.32050	0.1
429.29907	0.1
431.31537	0.7
447.16202	0.4
465.17630	1.5
553.31757	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01862	0.4
55.05511	1.5
55.05730	0.3
55.09810	0.3
57.03424	0.5
57.07084	0.4
60.28608	0.3
61.02919	0.9
62.06077	0.6
67.05489	1.2
69.03135	0.3
69.03429	3.0
69.07065	2.4
70.06581	1.0
71.04979	0.9
71.08629	5.4
71.12078	0.3
71.48895	0.4
72.08147	1.3
72.32445	0.3
73.02922	0.5
79.05484	1.0
81.03432	1.8
81.03843	0.4
81.07065	2.8
83.08619	1.9
84.04500	0.6
84.08144	1.0
85.02904	4.2
86.06064	6.3
86.09689	0.4
87.04472	0.6
92.91371	0.3
93.07020	1.4
95.04984	0.5
95.08600	2.5
96.08131	2.3
97.02892	2.7
97.06509	0.8
97.10186	0.4
98.06038	0.6
98.09693	2.7
99.04465	0.7
99.08099	2.6
103.05426	0.5
105.07010	0.3
106.10107	0.3
107.04217	0.6
107.04956	11.7
107.08594	1.6
108.05267	0.8
108.08128	1.7
109.02893	1.4
109.10146	0.8
110.09646	0.5
111.08111	0.4
111.11672	0.7
113.08385	0.5
116.10735	20.0
121.10135	0.8
122.09702	1.4
124.07562	0.6
126.09155	0.5
127.03915	2.3
131.04913	1.0
133.10149	0.5
135.11685	0.4
136.11215	0.6
138.09123	0.4
140.10699	0.7
142.12204	0.3
143.10641	2.3
145.04951	0.7
149.13280	2.3
154.15906	3.5
164.14388	0.3
166.15900	1.9
167.14311	1.3
168.17490	1.1
172.67368	0.4
178.15892	1.4
196.16977	6.7
196.18752	0.4
214.18018	100.0
215.18359	1.7
217.17935	0.5
231.15894	6.2
239.16293	0.5
257.17508	0.8
261.13229	0.3
276.80362	0.3
280.22668	0.3
310.23721	1.9
328.24835	9.4
357.18997	1.0
376.23306	18.1
377.23688	0.4
408.31055	1.0
426.32181	9.2
427.32489	0.4
490.30063	1.9
538.28650	2.5
588.28711	0.6
588.37439	8.4
612.25348	0.6
638.00494	0.3
652.35260	0.5
711.35626	0.4
750.30530	0.3
750.42548	1.8
760.73145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01869	5.8
55.05273	3.6
55.05511	37.6
57.03243	1.9
57.03436	19.5
57.07081	5.2
59.04987	3.4
61.02917	6.2
65.03931	6.2
65.56343	2.1
67.05507	97.9
69.03416	8.3
69.07072	22.1
69.79247	11.7
71.04974	5.4
71.08611	3.6
79.05495	73.5
80.05811	2.6
81.03422	13.6
81.06594	4.8
81.07058	86.3
83.04983	7.4
83.08618	19.9
85.02886	7.4
85.06562	4.4
91.03931	3.0
91.05479	42.2
93.07048	61.7
95.04981	24.4
95.08611	56.4
97.02888	7.5
97.06532	4.1
97.10194	20.9
99.08121	2.5
105.07033	26.3
107.04955	8.3
107.08607	29.8
109.06517	5.0
109.10163	32.7
111.08089	4.1
112.58009	2.6
114.24716	2.6
117.07004	18.2
119.08585	21.4
121.06506	3.6
121.10149	24.6
123.08035	5.1
123.11692	6.6
125.09641	12.1
129.07024	6.2
131.08548	20.8
133.10124	13.4
135.08093	6.1
135.11745	13.0
137.09593	2.6
141.06979	4.2
143.08578	6.8
145.06602	4.3
145.10165	13.8
147.08003	2.6
147.11693	9.3
149.09624	3.2
149.13242	8.9
157.10114	2.6
159.11687	17.2
161.13242	5.7
163.14821	3.1
169.10091	4.4
171.11703	3.4
172.31042	2.5
173.11859	4.5
173.13228	6.4
183.11650	2.5
185.13306	2.6
187.11125	3.2
189.11240	10.6
205.12250	6.8
207.13754	2.9
223.13301	50.9
227.12776	6.9
229.14384	11.8
243.21143	5.4
261.22153	12.9
297.16992	82.5
311.23801	2.7
313.27417	5.7
317.24673	3.2
335.25809	100.0
336.26160	3.2
465.34082	3.5
489.35907	24.9
539.37268	4.7
557.38464	60.8
558.38794	3.6
575.38470	3.2
637.57709	2.8
688.52393	2.5
730.92255	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	754.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01861	5.4
55.05504	22.2
57.03437	4.8
65.03929	7.7
67.05505	71.1
69.07063	17.9
69.26202	45.9
70.06600	5.0
79.05495	100.0
81.03401	12.3
81.07056	80.5
83.04979	13.6
83.08602	10.2
85.06510	5.4
86.05318	6.2
91.05485	93.8
93.07046	86.1
95.04971	16.5
95.08605	49.6
97.06564	8.1
105.07032	83.4
107.04966	13.0
107.08595	37.1
109.10149	17.2
111.08041	5.6
116.59814	6.0
117.06992	24.2
119.08557	57.4
119.40377	5.0
121.06534	6.4
121.10114	19.6
129.07018	24.1
131.08525	18.6
133.10120	42.3
135.11687	19.1
137.06018	6.7
143.08551	20.8
145.10121	22.3
146.98810	4.7
147.11684	62.7
149.13258	9.1
157.10101	12.2
159.11708	14.5
161.13269	36.6
169.10201	7.1
171.11696	28.8
173.13304	7.6
175.14818	16.8
185.13231	12.0
189.12830	7.0
207.13869	18.9
227.95703	5.4
241.19478	29.4
259.20529	52.1
279.15991	19.4
281.14670	7.1
281.17474	68.4
287.12753	11.4
287.46301	5.9
290.37604	6.1
315.23126	7.9
333.24194	39.3
447.33270	6.0
465.33563	5.4
539.37262	57.7
540.37531	7.4
557.38342	17.2
787.40131	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	756.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01870	1.9
55.05512	6.4
57.03438	3.1
57.07083	9.5
60.95567	1.0
61.02925	5.0
65.03943	1.2
65.42991	0.9
67.05505	10.0
69.03436	10.7
69.06727	1.5
69.07070	12.9
71.08635	9.9
71.49212	1.4
73.02911	1.7
79.05492	6.8
81.03406	3.5
81.07062	22.1
83.05049	0.9
83.08613	6.3
85.02910	50.4
85.10184	5.2
87.04484	1.3
91.03982	2.1
91.05473	6.7
93.07045	12.3
95.08615	24.1
97.02899	16.6
97.10161	4.8
99.04470	2.0
105.07038	12.2
107.08589	12.3
109.02859	4.6
109.10167	19.6
110.42493	0.9
111.11716	4.7
119.08585	10.7
121.10146	8.6
123.00326	0.9
123.11725	7.0
125.13302	1.3
127.03927	15.5
131.08595	2.6
133.10155	10.5
135.11693	16.9
137.13237	3.1
145.03815	1.1
145.04956	23.8
145.10118	2.6
147.11700	30.9
149.13290	9.9
151.14879	1.0
153.57555	0.9
159.11702	4.0
161.13271	19.3
163.06026	6.9
163.14799	3.5
165.16388	1.5
173.13255	2.0
175.14845	9.5
179.17853	1.1
184.07355	2.6
187.14745	1.5
189.16383	5.9
201.16434	2.7
203.17973	4.1
215.17921	5.1
217.19516	2.1
229.19594	2.0
233.22644	1.2
243.21173	4.6
247.24226	1.9
257.22678	3.2
261.25757	1.8
275.27448	1.5
285.25800	1.8
287.27429	3.3
299.27402	1.0
301.29001	1.3
315.30588	2.1
397.38315	100.0
398.38620	4.3
415.52243	1.0
644.53503	1.4
787.30011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1974
Annotation	Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside
Peak:m/z	Relative Intensity
53.03947	0.3
57.03448	0.2
65.03939	0.7
69.03429	1.4
70.03401	1.0
70.06596	0.6
81.03416	2.7
82.27738	0.2
85.02909	1.1
85.06525	0.2
86.09718	0.3
91.05485	7.1
95.58479	0.2
97.02892	0.3
98.20844	0.3
107.04960	2.7
108.05269	0.4
109.02896	1.0
119.04946	17.0
121.02843	0.6
127.03921	1.3
137.02309	0.3
140.22282	0.2
145.04973	0.3
147.04411	100.0
148.04710	1.5
153.01804	0.7
165.01849	0.7
165.05507	1.2
231.06525	0.3
270.58636	0.2
273.35168	0.2
277.23981	0.2
287.05511	19.3
288.05832	0.4
291.08621	5.1
292.09018	0.3
309.09668	5.9
314.74939	0.3
423.75323	0.2
471.15054	1.2
474.20844	0.2
476.69382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03947	0.3
54.47154	0.2
57.03440	1.2
61.02916	0.4
63.85347	0.2
69.03426	1.3
70.06586	0.5
71.04610	0.4
71.04998	6.9
71.48199	0.5
72.08153	0.5
73.02893	0.3
75.04458	0.4
75.36561	0.2
80.81261	0.2
81.03399	0.4
83.04989	0.4
85.02911	10.6
86.09709	0.8
87.04430	0.2
97.02897	1.0
107.04963	0.7
111.00816	0.4
111.04459	0.3
115.96734	0.2
121.02868	1.9
127.03915	0.7
129.05492	1.7
132.72777	0.2
133.02792	0.3
137.02362	0.6
138.33591	0.3
142.72531	0.2
145.04990	0.6
147.04398	1.1
147.06467	0.5
149.56665	0.2
153.01820	2.1
153.99377	0.2
155.21829	0.2
165.01776	1.1
178.25557	0.2
183.02853	0.3
185.06110	0.3
213.05420	0.7
231.06541	0.5
241.05014	0.4
243.06543	0.2
245.18517	0.4
258.05261	0.6
259.06076	0.3
287.05508	100.0
288.05820	2.4
310.61810	0.2
329.06412	0.4
397.09213	0.2
449.10815	20.3
450.11346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.3
55.01863	4.3
55.05511	26.1
57.03442	12.2
57.07083	5.3
59.04998	1.6
65.03945	8.1
67.05503	100.0
69.03434	16.4
69.06734	1.6
69.07069	21.2
71.01345	1.4
71.04990	6.9
71.08611	1.6
71.49305	1.7
73.02921	1.3
77.03938	1.4
79.05492	86.3
81.03421	17.6
81.07054	100.0
82.07367	1.4
83.04980	6.7
83.08607	11.7
85.02902	13.1
85.06530	2.6
86.09689	1.8
91.05480	59.7
93.07043	84.2
95.04959	9.6
95.08606	71.3
97.02895	7.9
97.06525	4.9
97.10163	4.7
99.04453	6.8
99.08044	2.2
101.46558	1.2
103.03955	7.1
103.05480	2.0
105.04490	4.2
105.07029	38.5
107.04955	4.6
107.07888	2.6
107.08592	43.2
109.02894	9.2
109.06525	4.1
109.10162	27.9
111.04433	3.3
111.08074	2.6
113.09673	1.2
115.05434	1.4
116.06247	1.5
117.07017	19.1
119.08576	29.9
121.06505	1.5
121.10148	39.5
123.08042	2.8
123.11701	8.9
124.99981	1.4
127.03923	8.9
128.06247	1.5
129.06961	6.5
131.08571	27.8
132.92784	1.3
133.06403	1.8
133.10146	21.8
135.08032	1.6
135.11691	25.1
137.09631	2.7
137.13225	3.9
139.11179	1.3
141.06955	2.4
143.08597	5.3
145.04933	2.4
145.10126	17.3
147.08015	1.7
147.11688	15.4
149.09651	2.2
149.13243	13.4
151.11108	1.3
155.08571	3.0
157.10121	3.8
159.06468	1.1
159.11671	13.2
161.13255	9.9
163.11147	2.7
163.14818	5.2
165.05383	1.3
169.10101	1.7
171.11694	4.1
173.13266	11.5
175.14781	3.7
177.12802	1.2
177.16393	1.9
183.06502	5.0
183.11610	2.0
184.07362	6.5
185.13290	4.5
187.14812	4.6
191.14296	1.6
193.06064	1.0
197.13216	1.5
199.14748	1.8
201.07608	2.0
201.16290	1.5
209.13394	1.1
209.51294	1.2
213.16335	1.2
215.14336	1.3
241.19298	1.2
243.21077	5.6
257.19290	1.2
259.20490	4.9
261.22119	19.9
262.22385	1.4
273.22144	2.1
277.21661	1.9
285.21960	2.0
289.21683	1.6
301.21603	1.6
303.23044	2.5
306.27951	1.9
315.23373	1.3
317.24652	1.7
327.23126	2.7
333.24213	2.2
335.25793	53.2
336.26172	1.6
341.24896	1.5
345.24069	1.7
363.25354	11.4
369.24164	4.2
387.25293	2.5
405.26477	3.0
417.94205	1.2
431.82578	1.3
443.27869	4.0
461.28668	1.8
562.86688	1.5
595.46716	1.9
757.52325	5.4
774.45404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03757	1.3
53.03954	14.6
55.01864	3.6
55.05275	2.3
55.05516	25.9
57.03438	21.0
57.07074	3.2
65.03931	6.4
67.05509	100.0
69.03434	37.4
69.07071	18.4
71.05009	9.6
71.49256	3.5
79.05498	69.4
81.03423	98.1
81.07061	92.1
83.05006	7.0
83.08617	10.1
85.02901	3.6
85.06573	1.9
86.32063	1.3
91.05487	41.8
93.07048	84.9
95.04987	7.5
95.07997	3.7
95.08612	72.0
97.02896	18.5
97.06520	4.0
97.10164	3.3
99.04453	16.1
103.03973	6.8
105.04505	3.6
105.07034	25.5
106.95731	2.0
107.04968	1.8
107.08607	33.9
109.02886	13.1
109.06509	5.6
109.10168	27.0
111.04449	2.4
111.08095	2.4
115.05483	2.3
117.07052	8.9
119.08585	19.8
121.10153	27.4
123.08036	2.1
123.11722	10.4
125.09637	2.1
127.03943	20.6
129.07007	3.4
131.08572	18.1
133.10153	14.7
135.07979	1.9
135.11702	17.6
137.09593	1.7
137.13284	2.2
143.08604	1.8
145.10172	10.1
147.11740	9.4
149.13284	8.9
157.10123	2.2
159.11725	9.0
161.13293	7.1
163.14819	4.4
171.11728	3.1
173.13246	7.1
175.14793	2.6
183.06557	2.4
187.14810	4.2
201.16182	1.7
239.63512	1.5
243.21065	6.6
259.20483	1.9
261.22186	18.0
269.17529	3.2
275.20160	1.9
294.34174	1.6
335.25818	84.0
336.26111	2.0
363.25327	46.1
364.25333	2.1
405.26260	3.2
487.35229	1.6
543.36401	2.3
561.37726	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	757.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.6
55.01867	10.7
55.05518	32.9
57.03436	10.2
57.07065	5.4
58.49842	3.8
63.71621	3.5
64.26617	3.7
65.03941	9.3
67.05508	98.9
68.05825	4.5
69.03430	39.6
69.07066	32.2
71.04984	7.1
71.49211	3.9
73.37086	4.2
79.05074	5.7
79.05494	76.6
81.03412	22.5
81.06310	3.9
81.07062	100.0
83.04979	9.3
83.08607	14.8
85.02892	10.7
86.09674	3.8
91.05482	64.6
93.07043	95.5
95.04960	18.6
95.08617	61.9
97.02886	8.3
97.06530	11.3
97.10155	7.5
103.03892	4.6
103.05412	5.8
105.07034	55.4
107.04951	9.2
107.08588	46.0
109.02909	9.2
109.06511	8.7
109.10166	29.0
111.04453	5.1
111.08027	4.0
114.21262	4.0
115.05489	5.0
117.07022	30.7
119.08600	42.1
121.06509	5.8
121.10147	27.8
123.08059	8.8
123.11667	9.4
127.03902	7.3
129.05429	3.9
129.07011	15.5
131.08572	40.7
133.06456	5.7
133.10155	31.5
135.08060	5.4
135.11696	22.7
141.07082	4.2
143.08554	16.2
145.06444	6.4
145.10123	29.4
147.08073	4.5
147.11667	22.1
149.13249	12.1
155.08586	7.2
157.10146	12.2
159.08058	5.3
159.11745	18.7
161.09616	6.6
161.13243	12.3
163.14897	6.0
169.10149	5.4
171.11652	9.1
173.09818	3.9
173.13269	18.1
175.14877	6.8
181.10110	4.0
183.11678	7.7
184.07420	21.0
185.13185	10.3
187.14923	5.0
195.11754	5.0
197.09618	3.9
243.20979	4.1
259.20520	9.7
261.22092	14.5
299.23627	5.1
303.23087	4.8
319.22684	5.3
335.25894	39.7
341.25153	5.2
351.23361	6.2
369.24158	13.2
387.25320	14.1
443.28305	6.2
461.28897	5.5
479.29993	7.4
722.47772	5.8
754.18793	5.0
757.52161	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	758.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	0.1
53.03945	0.9
55.01866	0.1
65.23531	0.1
69.03426	0.1
70.06588	0.1
70.81882	0.2
73.30022	0.1
77.03915	0.4
79.05493	1.2
81.03414	0.2
81.07040	0.1
81.51201	0.1
85.02898	0.2
95.04971	1.1
97.02911	0.1
99.08108	0.1
105.04505	0.6
107.04954	100.0
108.05275	1.2
121.06487	0.1
145.04947	0.1
159.10173	0.1
160.31607	0.1
166.76575	0.1
205.10669	0.1
213.09093	1.3
225.98805	0.1
246.73572	0.1
311.14935	0.1
450.12689	0.1
511.60587	0.1
766.66528	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	758.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03720	0.1
53.03951	0.9
55.01867	0.2
67.05479	0.1
69.21143	0.2
69.21566	0.4
70.06586	0.2
71.04984	0.1
71.08623	0.1
77.03937	0.3
79.05492	1.3
81.03402	0.2
81.07050	0.1
84.05280	0.1
84.08215	0.1
84.16269	0.1
85.02906	0.3
86.62890	0.1
91.05446	0.1
95.04971	1.1
95.08588	0.1
97.02919	0.1
98.20734	0.1
99.08109	0.1
105.04526	0.6
105.07047	0.1
107.04960	100.0
108.05294	1.2
111.28944	0.1
119.08610	0.1
121.06485	0.1
121.35388	0.1
127.03917	0.2
129.60693	0.1
137.05980	0.3
144.32588	0.1
145.04976	0.1
159.10269	0.1
167.07001	0.1
194.10966	0.1
205.10652	0.1
207.13840	0.1
213.09126	1.2
287.05823	0.1
568.23724	0.1
765.39899	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01882	7.4
55.05511	25.6
57.03439	16.6
57.07076	3.0
61.02923	3.6
65.03934	5.8
67.05505	85.6
69.03426	5.8
69.07072	37.4
71.04993	5.9
71.48568	2.3
73.02924	3.2
73.92814	1.5
77.03933	2.0
79.05493	59.8
81.03403	7.3
81.07057	100.0
83.04974	11.3
83.08617	17.7
85.02882	3.4
85.06538	4.5
91.05478	42.8
91.06027	2.8
93.03430	1.6
93.07047	74.2
93.26450	1.5
94.11868	1.6
95.04960	11.9
95.08608	32.8
97.02901	5.4
97.06530	21.9
97.10168	6.4
99.04460	2.8
99.08087	2.7
105.07036	30.2
107.04960	12.7
107.08600	45.0
109.02905	2.3
109.06517	6.1
109.10155	8.9
111.08070	9.7
113.06033	1.9
113.09664	1.4
115.05458	2.4
117.07023	17.0
119.08582	19.0
121.06526	5.2
121.10137	20.0
123.08081	4.1
123.11681	3.2
125.09615	3.9
127.03883	3.0
129.07019	5.2
131.08572	21.1
133.08913	2.6
133.10110	19.0
135.08044	4.8
135.11676	14.2
137.09653	2.1
139.11157	2.1
143.08589	2.8
145.06546	1.6
145.10124	11.5
147.11665	9.4
149.09639	10.0
149.13269	29.7
151.11166	2.9
155.08545	2.4
157.10155	3.9
159.11713	20.6
161.13287	4.6
163.11169	4.8
163.14824	1.6
169.10147	2.7
171.11679	3.7
173.04579	1.5
173.13251	4.7
177.12753	8.9
181.12115	2.0
183.11670	2.4
185.13309	2.2
187.14758	1.8
189.11250	1.9
190.19301	1.4
193.12196	2.0
195.13838	14.8
199.16997	3.6
211.13275	3.6
213.14807	1.8
227.12737	8.5
247.20668	2.0
255.15987	5.2
257.18961	8.5
259.20557	2.1
262.18042	12.0
267.15665	1.6
269.17477	82.5
270.17831	2.0
275.20023	25.2
293.21332	2.2
331.22556	2.0
349.23770	18.4
350.24628	2.1
367.24615	2.4
423.27075	3.1
439.26550	2.1
445.29590	2.0
447.31128	2.4
449.29092	22.4
463.30530	73.7
464.30927	4.7
478.91165	1.7
503.33139	1.8
525.35620	3.6
543.36768	38.3
544.36853	2.9
561.37982	8.1
562.37537	2.0
758.49268	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01868	6.0
55.05518	24.3
57.03431	19.6
61.02925	4.9
65.03935	7.4
67.05506	81.9
69.03413	5.4
69.07070	24.1
69.23321	6.4
69.23733	16.0
71.04974	8.9
77.03911	3.0
79.05499	66.5
81.03399	7.6
81.07056	100.0
82.72142	2.2
83.04972	8.0
83.08607	18.0
83.78845	2.0
85.02921	3.4
85.06525	6.8
91.05480	62.7
93.07045	84.0
95.04972	11.0
95.08606	37.5
97.06541	14.9
97.10162	6.2
99.08080	6.4
103.05456	3.6
105.07033	50.7
107.04956	12.8
107.08598	47.4
109.06502	6.2
109.10146	9.1
111.08100	11.8
115.05444	6.4
117.07014	36.4
119.08588	41.4
121.06502	3.4
121.10153	27.1
123.08083	2.1
123.11698	4.9
123.85453	2.4
125.09617	3.6
128.06227	4.4
129.06996	16.1
130.08832	2.4
131.08577	39.6
132.08105	3.5
133.08855	10.4
133.10112	29.0
135.08012	5.4
135.11716	13.6
137.09569	3.6
141.07010	4.9
141.44850	2.5
142.07733	3.3
143.08568	13.0
144.09306	2.7
145.10121	32.9
147.11710	17.8
149.09602	5.5
149.13269	36.5
151.11223	2.5
155.08524	9.4
156.09358	2.8
157.10165	15.6
159.11699	51.9
161.09669	3.4
161.13248	7.9
163.11148	5.8
169.10130	8.3
171.11684	9.9
173.13237	18.5
175.14766	3.0
177.12732	5.6
183.11670	8.5
185.13252	22.9
187.14734	3.0
189.12805	2.2
195.12186	2.6
195.13780	13.6
197.13229	6.3
203.14288	9.8
205.15892	3.0
215.17966	2.5
217.15898	2.4
219.17450	5.7
227.12633	4.9
229.19493	5.7
239.17970	16.7
254.78107	2.6
257.19031	38.5
259.20663	2.7
262.18045	76.0
267.15851	6.9
269.17487	98.0
272.50104	2.4
275.20132	33.4
300.45566	2.3
318.20279	3.8
331.22894	13.1
349.23755	21.8
355.91672	2.6
449.28976	7.4
451.31839	3.9
463.30673	20.2
471.31006	3.4
473.32513	3.3
480.25748	6.2
525.35950	15.5
543.36847	64.6
544.36829	3.3
561.37671	8.5
758.48315	59.9
759.38367	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.0
55.01858	6.4
55.05515	29.4
57.03439	14.1
57.07059	4.0
59.05022	2.9
61.02932	7.4
63.17807	2.1
65.03951	5.0
67.05509	97.9
69.03419	9.1
69.07071	30.8
69.56889	15.0
71.04993	8.9
79.05497	74.3
81.03418	7.2
81.07058	91.5
83.04980	16.1
83.08617	16.7
85.02933	10.5
85.06537	4.7
91.03953	4.5
91.05477	63.6
93.07052	81.7
95.04975	14.3
95.08615	61.1
95.09089	1.6
95.28007	2.5
97.02895	11.9
97.06005	2.4
97.06518	12.5
97.10187	5.4
99.04444	3.9
99.08084	2.7
101.06142	2.1
103.78373	2.2
105.04514	4.8
105.07037	39.7
107.04948	15.1
107.08592	43.7
109.06522	7.9
109.10172	36.4
111.04459	14.2
111.08078	6.5
115.05482	2.5
117.07030	22.4
118.07261	2.2
119.08579	35.8
121.06499	6.0
121.10157	34.0
123.08047	6.5
123.11679	6.3
125.06001	3.5
125.09657	4.3
128.06267	3.3
129.07013	10.0
130.07748	2.7
131.08575	31.4
133.06541	5.3
133.10136	31.1
135.08037	7.0
135.11685	34.3
137.09644	5.3
141.06956	3.1
143.08594	11.6
145.06548	2.5
145.10123	31.6
147.08105	5.4
147.11693	16.8
149.09631	7.8
149.13277	8.9
151.11162	6.5
155.08560	6.4
157.10136	8.2
159.08086	3.1
159.11725	17.8
161.09659	4.1
161.13274	7.2
163.11186	19.5
163.14789	3.6
169.10110	4.2
171.11708	7.4
173.09608	9.6
173.13287	9.1
175.11220	4.5
175.14859	3.5
177.12598	3.9
181.12239	2.9
183.11708	6.8
185.13255	7.2
187.14767	2.8
189.12752	2.7
191.10695	8.2
197.13252	4.6
199.11270	2.9
199.14830	4.6
201.12785	3.0
209.11702	23.3
209.96013	2.0
213.16478	2.4
227.12761	6.3
227.16406	4.9
229.14342	4.3
241.19568	3.1
243.21155	4.7
253.14365	6.4
255.15878	6.2
259.20535	5.4
261.22220	12.0
273.22159	6.4
283.15396	84.6
285.16766	4.0
289.21829	3.7
299.20126	5.1
313.21463	3.2
315.23154	7.9
335.25876	52.6
373.23730	5.5
415.29572	3.9
423.32565	2.6
433.30725	7.0
441.68323	2.5
451.32172	18.7
469.33118	13.0
470.16071	2.8
487.34158	4.9
515.37341	3.3
525.35632	24.5
543.36810	100.0
544.37073	5.0
561.37805	30.0
736.30951	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01872	8.2
55.05271	2.3
55.05516	25.4
57.03445	16.1
57.07080	3.2
61.02932	5.1
64.39534	1.7
65.03938	5.9
67.05506	79.6
69.03419	2.5
69.07073	23.4
69.21151	10.4
69.21572	6.3
71.04987	5.2
76.86934	1.7
79.05497	65.7
81.03430	9.1
81.07060	80.6
81.07539	4.1
83.04989	17.9
83.08617	11.9
85.02888	7.2
85.06554	4.2
91.05480	46.6
93.07046	73.4
95.04973	14.5
95.08613	51.1
97.02914	9.4
97.06538	11.5
97.07066	1.6
97.10181	6.3
99.04489	4.1
99.08102	2.0
105.07037	29.4
107.04951	19.6
107.08596	42.4
109.02959	1.6
109.06541	5.3
109.10165	27.4
111.04449	16.9
111.08094	7.1
113.06025	3.3
117.07027	18.2
119.08578	20.8
121.06528	2.9
121.10145	26.8
123.04443	1.9
123.08064	3.8
123.11713	7.2
124.99966	2.8
125.05984	3.6
125.55336	1.8
129.07014	7.0
131.04916	1.8
131.08592	19.2
133.10126	20.1
135.08070	3.3
135.11681	31.6
137.09615	1.9
137.13231	1.8
139.11205	2.9
143.08568	4.0
145.06514	3.5
145.10129	26.6
147.08041	5.2
147.11717	10.6
149.09610	7.2
149.13217	3.3
151.11205	4.0
153.12766	5.2
155.08510	4.0
157.10135	2.8
159.08034	2.3
159.11684	8.5
161.13280	6.3
163.11203	24.5
163.14792	4.2
169.10159	1.8
171.11720	2.5
173.09634	6.7
173.13225	8.1
175.14835	2.8
175.17062	1.7
181.12308	5.6
183.11697	2.8
184.07347	4.8
185.13293	3.8
187.14833	2.6
191.10631	7.9
199.11278	2.1
208.49747	1.8
209.11728	29.5
227.12778	12.9
229.12042	2.1
243.21124	5.6
253.14331	3.7
261.22119	14.9
273.22247	3.7
283.15408	81.4
284.15347	1.8
299.05988	2.6
301.16513	23.1
315.23178	3.2
317.17938	2.9
317.24643	2.6
333.24298	3.5
333.83133	1.8
335.25818	100.0
336.26147	3.3
357.23914	1.9
423.32401	3.1
433.30994	5.3
451.32144	10.1
469.32983	7.6
507.34396	2.0
515.37390	3.7
521.24176	1.8
525.36041	11.5
543.36877	84.5
544.37097	3.6
561.37805	20.5
609.91498	2.0
627.15295	2.1
668.49713	2.0
740.33350	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01862	6.1
55.05511	32.0
57.03440	17.2
57.07067	3.6
58.30889	2.3
59.04984	3.5
61.02914	7.1
61.57847	2.1
65.03934	7.2
66.38198	2.3
67.05507	99.1
67.60445	2.1
69.03426	6.3
69.07071	29.6
71.04971	7.2
79.05496	68.5
81.03426	6.6
81.07059	91.2
83.04974	12.7
83.08631	18.7
85.02896	5.5
85.06535	6.6
91.03978	2.5
91.05479	64.8
92.02399	2.4
93.06492	4.9
93.07050	79.6
95.04965	15.7
95.08609	45.2
97.02894	11.2
97.06528	11.3
97.10167	5.9
99.04463	3.0
99.08126	2.4
103.05453	3.0
105.06408	3.3
105.07043	44.4
107.04965	12.9
107.08590	48.1
109.02870	3.0
109.06520	10.0
109.10155	34.1
111.04447	15.4
111.08110	5.8
113.05968	3.5
115.05469	3.1
117.07019	21.3
119.08588	28.2
121.06452	4.2
121.10162	27.9
123.04381	2.6
123.08055	9.4
123.11701	9.9
125.09615	6.9
128.06265	2.9
129.07028	6.8
130.07761	6.0
131.08559	29.4
133.10132	33.0
135.08028	8.2
135.11699	30.4
137.09595	6.8
141.06992	4.3
142.07722	2.6
143.08545	10.0
145.06508	6.9
145.10135	32.2
147.08055	5.1
147.11746	14.2
149.09621	8.8
149.13261	6.8
151.11209	6.4
153.12738	3.6
155.08543	7.3
157.10120	8.8
159.11665	11.7
161.09671	5.1
161.13228	7.7
163.11163	11.7
163.14699	3.1
169.10123	5.7
171.11667	8.6
173.09569	8.3
173.11821	4.7
173.13234	8.4
175.11185	6.1
175.14740	3.9
179.05753	2.6
179.10594	2.7
182.10910	2.5
183.11734	6.0
184.07347	8.0
185.13232	5.9
187.11136	3.0
187.14870	4.2
189.12732	3.8
191.10663	6.7
199.14937	5.7
201.16400	2.7
209.11618	15.1
209.13414	2.7
227.12756	5.7
227.16443	4.8
229.14328	10.0
229.78363	2.5
241.19592	3.1
253.14392	4.5
255.15993	7.8
257.19150	4.3
259.20691	3.4
261.22144	7.4
273.22110	5.4
275.20126	2.8
277.21692	4.1
279.23236	3.3
283.15414	70.9
289.21521	2.8
299.19971	2.7
301.16599	5.7
301.21790	3.8
315.23224	9.6
317.21155	5.5
317.24878	2.7
332.14056	3.0
333.15189	11.6
333.24234	3.6
335.25867	28.7
353.24847	2.7
363.25140	3.2
373.23602	8.7
386.01694	2.7
423.32587	3.0
433.30908	7.8
451.32108	14.6
469.32947	11.9
487.34146	4.2
503.37067	3.2
515.37372	6.5
525.35675	26.4
543.36853	100.0
544.37085	7.8
561.37653	37.5
562.38306	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05514	15.0
57.03445	6.8
57.07064	2.4
57.33197	0.9
59.05007	1.2
60.08203	1.0
61.02920	2.7
65.03934	3.4
67.05505	66.6
69.03423	2.8
69.07066	13.8
69.15691	6.3
69.16116	3.5
71.04989	22.0
77.03935	1.4
77.86269	1.3
79.05495	42.0
81.03424	1.3
81.07056	100.0
83.04977	4.4
83.08623	8.8
85.02889	2.2
85.06540	6.7
88.51448	0.9
91.03958	1.2
91.05482	28.6
93.07048	42.4
95.04954	4.0
95.08615	27.1
97.02888	2.2
97.06527	4.6
97.10173	3.1
99.08092	1.3
101.06013	0.9
103.04610	0.9
105.04530	1.3
105.07041	18.6
105.81645	1.0
107.08596	24.9
107.27026	0.9
109.06520	1.8
109.10155	11.4
111.08085	2.6
113.05936	0.9
117.07011	5.6
119.08598	10.2
121.09328	1.5
121.10145	16.8
123.08059	1.1
123.11708	14.5
129.06990	1.1
131.08586	8.2
133.10129	16.8
135.11708	9.5
145.10126	3.6
147.11638	2.9
149.13185	7.3
151.11218	6.6
153.12680	2.1
157.10117	1.3
157.35895	1.0
159.11685	7.1
161.13292	2.7
163.14857	1.2
165.12758	1.0
173.13264	2.4
177.12799	2.4
183.13849	1.7
187.13284	2.5
187.14777	1.6
195.13808	1.9
201.14909	1.3
227.16389	1.7
243.16039	1.8
257.17413	1.9
261.22128	3.7
269.17410	7.8
301.20081	17.2
335.25815	32.8
393.31769	1.2
482.08231	1.1
485.36343	2.5
503.37299	96.2
504.37415	2.8
511.38794	1.0
517.38611	3.9
529.38849	10.6
561.41498	85.9
562.41528	3.8
705.44836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01887	0.2
57.07087	0.3
58.58685	0.1
67.05514	0.2
69.03430	0.2
69.84586	0.6
69.84912	0.2
70.06603	0.2
77.03934	0.7
79.05497	1.1
81.03419	0.3
81.07066	0.1
84.89957	0.1
85.02907	0.6
85.06537	0.8
86.09731	0.1
91.05553	0.1
94.64413	0.1
95.04971	1.2
97.02907	0.4
98.21416	0.1
105.03407	0.4
105.04510	0.6
105.07015	0.1
107.04959	100.0
108.05288	1.3
109.02805	0.1
120.04522	0.2
123.04431	27.7
124.04775	0.3
127.03923	0.1
138.04176	0.1
138.98102	0.1
145.04956	0.2
145.08591	0.8
157.72818	0.1
163.06036	0.1
165.07080	0.2
183.08084	0.4
191.09065	0.5
191.14395	0.1
209.15370	0.4
211.07385	0.2
227.16437	0.5
229.08609	1.0
275.25467	0.1
297.13306	0.3
313.16278	0.1
402.06482	0.1
472.75549	0.1
563.21301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01873	0.5
55.05511	6.8
57.03431	0.6
57.07082	1.0
65.03933	0.9
67.05521	3.4
69.03436	2.2
69.07071	10.8
69.38474	3.3
70.06591	1.5
71.04995	5.3
72.08157	1.1
79.05477	2.5
81.03422	0.9
81.07063	9.2
83.04993	1.1
83.08620	4.2
84.08113	0.7
85.02914	4.2
86.09721	0.6
91.05482	12.0
93.07047	4.5
95.04973	3.1
95.08613	8.8
97.02901	1.4
97.06521	0.6
99.04448	0.9
103.05458	1.5
104.06249	0.7
104.56432	0.4
105.07034	23.8
107.04979	2.8
107.08600	17.9
109.06549	1.3
109.10150	2.7
115.05473	0.7
117.07020	4.6
119.08587	100.0
120.08134	0.8
120.08909	1.5
121.10146	6.0
123.11707	0.6
125.09669	1.0
127.03930	1.5
131.08575	2.4
133.10136	28.7
135.08087	1.2
135.11684	1.5
145.04977	1.3
145.10121	1.6
147.11716	4.9
149.09575	1.4
149.13290	0.9
151.11171	0.7
153.09064	1.2
160.12396	0.6
161.13260	1.4
163.05989	1.4
167.14296	0.7
173.13277	2.8
175.14833	86.8
176.15166	1.3
187.11270	0.6
191.14304	7.2
192.14526	0.5
193.15948	0.6
201.51501	0.5
209.15369	11.0
210.15706	0.8
215.09206	2.4
227.16394	2.7
233.10173	2.3
287.05164	0.6
301.17828	0.5
310.97449	0.5
353.19547	0.8
371.20596	0.7
389.21686	0.5
421.51050	0.5
770.96320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01864	5.2
55.05510	24.6
57.03444	20.3
57.07063	3.8
61.02934	2.5
65.03921	6.1
67.05508	67.1
67.83910	1.8
69.03420	5.6
69.07068	18.8
71.04973	3.2
71.10172	4.7
73.02900	2.9
74.46809	1.9
77.03918	2.0
79.05495	51.9
81.03420	97.1
81.07056	71.3
83.04966	8.3
83.08163	2.3
83.08620	27.8
85.02888	2.5
91.05483	42.4
93.07047	56.0
93.07633	3.6
95.04971	33.4
95.08612	50.4
97.02903	3.1
97.06508	5.4
97.10146	7.7
105.04527	2.6
105.07031	32.6
107.04962	12.0
107.08595	30.8
109.06496	3.6
109.10157	23.8
111.08076	7.6
115.05425	2.2
117.07025	9.7
119.07816	2.9
119.08581	32.1
121.06478	4.8
121.10143	26.4
123.04431	3.6
123.08077	2.3
123.11703	5.8
125.09607	5.8
129.06995	12.5
131.08569	20.9
133.06473	5.3
133.10133	14.7
135.08063	3.7
135.11687	16.8
137.09555	3.0
137.13264	2.3
142.07669	3.0
145.10112	14.1
147.08058	5.8
147.11676	15.9
149.09636	4.2
149.13254	6.7
151.11353	1.8
157.10124	15.9
159.11708	9.7
161.13245	5.6
163.11185	2.3
163.14897	3.5
165.12822	3.6
169.10121	2.9
171.11684	4.2
173.13211	8.2
175.11160	11.1
175.14836	3.3
185.13231	2.0
187.14877	3.0
188.89401	1.8
189.11076	4.1
193.12238	27.0
215.05357	2.0
227.12828	5.5
235.13216	3.0
243.20985	5.4
259.50519	1.8
261.22150	17.8
267.15912	100.0
268.15991	2.1
285.17175	2.1
301.25101	10.0
309.16891	2.2
317.24783	5.8
320.18271	1.8
327.22992	2.1
335.25806	88.4
336.26254	2.3
393.77649	2.3
435.32401	5.1
449.28564	2.4
453.33441	7.8
466.21140	3.6
471.34406	7.5
527.37360	56.7
528.37872	4.6
545.38306	43.5
563.38879	3.1
569.37994	4.4
635.39111	2.7
760.43170	58.9
761.42645	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	760.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
55.28270	1.0
57.07079	30.1
60.78355	1.1
67.05487	5.2
69.07048	4.7
71.08634	29.5
71.49068	1.6
73.02480	1.3
73.02892	1.4
73.06557	11.7
78.71806	1.3
81.07045	5.4
83.08609	5.9
85.10184	19.1
87.04467	13.4
89.06032	100.0
91.05491	3.2
93.07039	2.4
95.08617	2.3
97.10163	5.3
97.10705	1.2
99.11722	1.7
105.07021	1.3
107.04933	1.2
107.07066	1.9
111.11697	3.7
113.13284	1.8
117.09137	9.0
119.08585	1.3
123.11739	1.2
124.91393	1.2
125.13211	1.8
126.51773	1.2
131.07047	4.7
133.08607	59.5
135.10178	1.6
161.11765	2.6
175.09657	2.2
177.11235	22.2
197.22517	2.7
221.13811	4.9
241.25221	2.7
269.17520	2.8
283.17487	1.4
285.27914	4.5
320.90540	1.2
329.30399	3.5
373.61032	1.4
505.39093	2.1
547.32977	2.0
563.42352	1.6
760.57446	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	761.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05515	21.3
57.07067	7.8
65.03907	2.0
67.05506	26.3
69.03421	6.9
69.07067	33.1
70.06589	6.3
71.08611	3.1
79.05499	12.8
81.07059	74.8
83.04989	9.2
83.08623	14.9
85.02908	18.8
85.06544	7.7
86.06068	1.9
89.59327	2.0
91.05476	7.9
93.07050	30.0
95.04959	2.8
95.08605	69.8
97.02901	6.8
97.06522	3.9
97.10176	9.9
99.04426	2.1
99.08083	2.8
102.00271	1.8
103.05473	3.4
105.07038	15.4
107.04961	19.5
107.08601	40.9
109.02846	3.9
109.06501	7.2
109.10158	37.4
109.10854	3.3
111.08107	10.2
111.11731	2.7
113.09687	1.8
117.07030	4.8
119.04999	1.8
119.08572	23.5
121.06531	3.0
121.10139	27.9
122.06024	2.7
123.08072	40.0
123.11708	18.9
125.09615	2.5
127.03873	5.2
128.06241	1.9
131.04959	5.1
131.08565	6.6
131.19810	1.7
133.06516	2.2
133.10132	14.8
135.08083	15.8
135.11699	17.7
136.07567	7.5
137.05972	6.6
137.09619	5.9
137.13254	9.8
139.07520	2.9
141.07072	2.0
142.07799	2.2
143.08614	4.6
145.04994	2.8
145.06442	2.1
145.10086	12.1
147.11650	13.8
149.09636	13.3
149.13268	19.7
151.07561	2.8
151.11171	4.9
151.14900	2.8
157.10179	8.8
159.11746	13.1
161.05995	1.9
161.09621	6.0
161.13239	11.7
163.11237	10.9
163.14815	8.5
164.07048	10.3
165.12761	8.8
167.07036	4.2
170.59627	1.8
171.11717	7.4
173.13280	7.1
175.11220	6.7
175.14771	4.2
177.12715	18.8
177.16357	2.9
179.14322	8.8
182.08144	2.2
185.13263	4.2
187.11195	2.5
187.14809	2.9
189.11353	1.9
189.12758	11.7
191.07043	3.1
191.14339	7.5
195.13774	4.0
197.13046	2.7
199.14876	3.1
203.14307	5.7
205.15900	4.9
205.19635	2.1
215.14290	1.7
219.17361	2.1
225.16464	2.7
231.17447	4.5
245.19009	2.4
247.20630	5.9
259.20648	8.6
271.35654	2.1
273.22055	2.5
291.26691	4.7
301.25153	3.0
319.26135	2.7
383.33057	38.3
399.11853	2.1
401.28867	4.1
401.34134	80.3
402.34241	4.2
410.34924	1.7
419.35196	100.0
420.35434	5.5
437.36237	8.1
646.50879	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	763.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
61.02908	0.2
67.05504	0.3
69.03422	0.7
70.06602	1.3
71.03599	0.4
71.05000	0.2
72.08130	0.2
73.02925	0.2
77.03951	0.4
79.05500	1.6
81.03407	0.6
81.07071	0.2
84.08156	0.3
85.02905	1.7
86.09705	0.2
91.05480	0.6
95.04992	1.3
97.02887	0.6
97.06557	0.2
99.04447	0.4
103.05488	0.2
105.04526	0.9
105.07032	0.5
107.04962	100.0
108.05261	1.6
109.02895	0.3
110.07112	0.2
115.21327	0.2
119.05019	0.2
120.08112	0.2
121.02893	0.3
121.06496	0.2
127.03930	0.6
129.10281	0.3
133.06505	0.2
133.10135	0.2
135.11664	0.2
137.06024	0.9
145.04980	0.3
145.10075	0.2
147.04465	0.2
152.07117	0.2
160.03923	0.2
161.06017	0.3
167.07088	0.2
171.11659	0.2
185.04253	0.4
199.08691	3.2
209.07979	0.3
211.08719	0.2
211.17007	0.2
211.21161	0.2
213.06633	0.4
213.10336	0.4
215.08238	0.3
227.08437	4.6
227.11981	0.4
228.08926	0.4
229.09813	0.3
230.58804	0.2
237.10286	0.3
239.11803	0.3
241.06151	0.4
241.09756	1.8
245.12900	0.3
255.07706	1.4
255.11253	1.9
257.09189	0.4
265.09912	0.4
268.08563	0.3
269.09241	1.1
282.09830	0.2
283.07245	1.1
283.10834	3.2
284.07758	0.3
285.12363	0.4
295.10818	0.8
297.08755	0.9
299.10150	0.2
301.08231	0.6
301.11618	0.3
311.10278	3.2
313.11804	2.2
315.09967	0.2
321.08591	0.2
329.02637	0.2
329.11310	3.3
330.23950	0.2
339.09796	1.8
341.14160	0.4
356.10095	0.4
357.10831	23.0
358.11227	0.8
375.11819	1.8
389.13458	19.8
390.13745	0.7
435.15738	0.6
463.14969	1.2
467.18204	0.5
495.17795	12.1
496.18112	0.7
583.09277	0.3
601.21851	5.5
601.31116	0.2
602.22351	0.3
629.22894	0.2
657.23438	0.2
677.23755	0.2
685.79340	0.2
763.27014	1.9
780.18024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05516	1.0
57.03450	1.8
61.02928	4.1
65.03949	0.5
67.05511	4.6
69.03436	2.4
69.07068	1.4
71.01344	0.6
71.04986	1.0
73.02925	2.9
73.37075	0.4
79.05495	4.1
81.03432	1.8
81.07063	6.1
83.05002	1.0
83.08604	1.1
85.02911	4.0
91.03962	2.0
91.05479	3.8
93.07048	5.3
95.04986	1.1
95.08615	2.8
97.02893	4.0
97.06518	0.7
97.10180	0.4
99.04465	0.9
101.02396	1.1
105.07025	2.4
106.68409	0.4
107.04950	0.7
107.08605	2.7
107.59949	0.4
109.02870	0.9
109.06571	0.5
109.10184	0.7
111.08100	0.8
117.07034	1.4
119.08570	1.8
121.06499	0.5
121.10139	2.0
127.03925	1.2
129.07021	0.8
131.08591	1.4
133.10173	1.2
135.11661	0.8
137.05923	0.4
145.04967	0.5
145.10156	1.1
147.11702	0.9
149.09554	0.4
149.13275	2.2
157.10161	0.5
159.11746	1.7
160.33650	0.4
171.11671	0.5
185.13258	0.5
214.06509	0.4
235.13214	0.7
236.99922	0.4
243.08440	2.3
249.47423	0.4
269.17538	0.5
311.33820	0.5
314.53387	0.4
333.20306	2.1
368.45352	0.4
453.20929	10.2
465.21002	2.8
551.28369	3.4
677.35101	2.0
763.42371	100.0
764.42651	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28991	0.8
55.05506	1.4
57.03440	1.4
61.02927	4.0
67.05504	5.1
69.03430	2.1
69.07070	2.1
70.74477	0.8
71.01366	1.0
71.04996	1.1
71.49072	0.9
73.02927	3.7
79.05503	4.1
81.03432	2.2
81.07061	7.2
83.04980	1.0
83.08625	1.1
85.02906	4.9
85.06589	0.7
90.63680	0.7
91.03974	2.4
91.05492	3.1
93.07049	5.7
95.04958	1.2
95.08617	3.0
97.02901	2.6
97.06574	0.7
99.04485	0.7
101.02376	1.8
105.07001	1.7
107.08611	3.3
111.08170	0.8
119.08619	1.3
121.10142	1.3
127.03969	1.6
131.08586	1.3
133.10150	1.0
135.11736	0.9
137.93686	0.6
149.13292	2.8
159.11739	1.5
163.98529	0.7
166.35826	0.6
177.12840	0.9
211.28131	0.7
213.32646	0.6
216.01404	0.9
235.13116	1.0
243.08481	2.6
333.20486	1.9
453.21027	11.0
469.20511	1.5
551.28412	3.1
763.42340	100.0
764.42712	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	763.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01865	0.5
55.05506	0.9
57.03428	1.8
57.07066	0.3
58.59495	0.4
61.02930	5.3
67.05507	5.6
69.03431	3.7
69.07074	1.3
70.74403	0.7
70.74778	0.8
71.04987	2.9
73.02930	3.9
79.05499	3.0
81.03422	1.4
81.07053	6.3
83.08622	0.8
85.02906	4.8
85.06551	0.4
86.50937	0.4
91.03960	3.2
91.05486	2.7
93.07047	3.8
95.08614	2.6
97.02891	4.5
97.06541	0.7
99.04431	0.8
101.02364	1.9
103.03939	0.6
105.07047	1.7
107.08570	2.7
109.02882	1.2
109.10163	1.2
111.08106	0.4
113.16976	0.4
117.07049	0.7
119.08604	0.6
121.10142	1.3
123.11713	1.1
127.03939	1.7
129.90674	0.4
131.08583	1.2
133.10107	1.9
135.11687	0.9
149.13293	0.5
151.11209	1.2
159.11752	0.7
167.32265	0.3
185.04221	0.8
199.05455	0.4
203.05272	0.7
214.72977	0.4
243.08427	2.4
257.17505	0.6
267.15817	1.3
335.25919	0.5
453.21011	0.5
485.23569	8.2
519.29346	5.7
763.46008	100.0
764.46167	7.6
787.63464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
57.03429	1.8
59.91818	0.8
61.02936	7.1
61.82542	0.6
65.91479	0.6
67.05512	5.7
69.03442	4.0
69.07079	1.6
69.77390	3.3
71.01339	1.1
71.04984	0.7
73.02923	4.7
79.05505	4.4
81.03415	3.3
81.07066	7.0
83.08656	1.1
87.04468	0.5
91.03960	3.3
91.05484	3.7
93.07037	5.1
95.04990	0.6
95.08609	4.6
97.02900	5.7
98.20766	1.2
99.04462	1.2
101.02388	1.6
103.03917	0.9
105.07054	1.9
107.08619	1.2
109.02958	1.0
109.10202	1.4
119.08587	1.7
121.10143	3.3
123.08128	0.9
125.09617	0.7
127.03961	1.6
131.08592	2.0
133.10165	1.4
135.11699	0.9
139.11195	0.7
147.11774	0.8
149.09666	1.1
149.43919	0.6
154.33653	0.6
185.04268	1.0
193.12344	0.7
243.08516	2.6
269.13721	2.0
335.26062	1.0
443.18762	3.2
469.20511	1.3
487.21869	3.5
519.29279	8.7
627.53107	0.7
721.41370	1.8
747.43213	1.7
765.43970	100.0
766.44672	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03438	0.1
57.07070	0.1
61.02954	0.1
63.08858	0.1
64.40707	0.1
68.58845	0.1
69.03443	0.4
70.06601	0.1
70.61884	0.2
77.00726	0.1
77.03934	0.4
79.05064	0.1
79.05495	1.2
81.03419	0.3
85.02924	0.2
85.06551	0.3
86.09706	0.1
92.47939	0.1
95.04967	1.3
97.02892	0.6
103.05473	5.4
103.82828	0.1
104.05840	0.1
105.04523	0.7
105.07079	0.1
107.04959	100.0
108.05292	1.2
109.02838	0.1
125.90353	0.1
127.03886	0.1
131.04932	22.9
132.05283	0.4
141.56734	0.1
145.08629	0.2
149.05965	0.5
191.09151	0.1
209.09680	0.1
235.55542	0.1
275.09088	0.1
293.10205	2.3
749.16498	0.1
764.60712	0.1
778.66052	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	768.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36002	0.2
69.03429	0.7
70.61874	0.6
77.03543	0.2
77.03892	1.0
79.05499	1.3
81.03414	1.0
85.02912	0.8
95.04975	1.6
97.02888	0.7
103.05470	17.1
104.05796	0.3
105.04523	0.9
107.04958	100.0
108.05288	1.6
109.02916	0.3
118.93301	0.2
127.03941	0.5
131.04933	84.0
132.05266	1.1
149.04794	0.3
149.05988	6.6
187.70268	0.2
208.21506	0.2
209.09547	0.7
237.09505	0.2
257.07880	0.3
275.09094	0.7
288.24167	0.2
293.10205	13.8
294.10440	0.4
399.14166	0.3
584.53815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.1
57.03447	13.7
57.07077	37.8
61.02905	2.1
67.05508	40.7
69.07077	15.1
71.08629	21.9
71.49065	3.6
79.05497	28.1
79.43596	1.8
81.07055	49.1
83.08620	12.1
85.02904	2.5
85.10187	13.1
89.06075	3.2
91.05484	15.3
93.07050	29.6
94.64765	2.1
95.04988	1.9
95.08611	45.5
97.06554	2.3
97.10167	3.7
105.07025	13.3
107.08603	16.9
108.08089	2.2
109.10162	19.8
117.07062	6.4
119.08583	8.8
121.10158	12.2
123.08096	2.4
123.11736	8.9
131.08559	9.0
133.10112	5.0
135.11743	11.3
137.13297	2.5
145.10144	6.6
147.11705	7.0
149.13295	7.8
159.11661	5.0
161.13275	3.4
163.14848	4.2
173.13275	4.5
175.14963	2.8
181.38020	2.4
184.07352	4.3
187.14816	2.7
198.19365	2.7
239.23689	5.0
243.21048	7.8
261.22162	35.6
313.27368	100.0
314.27594	3.8
317.24655	6.4
335.25806	76.6
336.25977	4.0
553.55908	2.2
573.48712	30.2
591.48822	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00945	0.5
55.01805	1.6
55.02047	0.6
55.05445	9.2
55.05733	1.4
57.03364	4.0
57.03670	1.2
57.07024	1.2
59.04956	0.5
61.02853	11.9
61.03189	1.5
65.03896	0.9
67.05426	17.4
67.05825	1.6
69.03348	6.6
69.06987	8.8
69.15002	6.3
71.01296	1.3
71.04930	1.3
73.02840	6.9
79.05408	13.5
81.03335	3.0
81.06973	19.5
81.07484	1.2
83.04916	1.4
83.08534	4.5
85.02817	10.5
85.06495	0.8
87.04376	0.9
91.03961	6.3
91.05482	11.9
93.07052	13.4
95.04954	1.1
95.08614	16.4
97.02893	10.1
97.06444	1.8
97.10175	2.8
97.21228	0.6
99.04365	1.6
99.07979	0.7
101.02277	1.9
103.05354	0.7
105.07040	11.8
107.04900	1.2
107.08604	9.6
109.02826	1.0
109.06480	1.3
109.10172	6.1
111.08013	1.2
115.03927	0.7
115.05342	1.5
117.07025	6.6
119.08592	10.4
121.10155	5.7
123.08027	1.0
123.11636	1.7
125.09565	0.8
127.03922	2.7
128.06198	3.0
129.07036	7.5
131.08578	10.9
133.10136	7.4
135.07941	0.9
135.11707	4.5
137.13214	0.7
141.07013	3.2
142.07680	2.0
143.08577	9.7
145.04926	1.1
145.10139	11.4
147.11691	5.1
149.09447	0.6
149.13162	1.9
153.06883	0.7
154.07759	1.1
155.08569	7.8
156.09283	1.1
157.10135	10.7
159.11708	8.5
161.13202	2.8
163.14677	0.8
165.06944	1.0
167.08585	4.4
168.09221	1.2
169.10129	10.8
171.11691	7.7
173.13278	5.1
175.14700	1.7
177.12791	0.7
179.08435	1.8
181.10098	5.0
183.11719	9.8
184.12329	1.1
185.13293	6.7
187.14742	2.5
187.16254	0.6
189.16263	1.2
192.09290	0.6
193.10066	1.7
194.10822	1.0
195.10197	0.8
195.11731	7.5
196.12399	0.8
197.11816	0.7
197.13292	8.3
199.14882	3.7
201.16360	1.4
203.17798	0.9
205.10057	0.7
207.11684	2.8
209.13264	5.2
211.14874	5.7
213.16295	2.3
219.11617	1.4
221.13191	2.4
223.14871	5.0
225.16385	3.7
227.17868	1.5
233.13165	0.8
235.14810	1.0
237.16252	2.0
239.17879	2.5
241.19545	1.1
247.14854	0.9
247.20395	0.6
249.16396	1.3
251.17932	1.4
253.19476	0.7
263.18008	1.1
265.19522	1.0
267.21130	0.6
297.22159	1.1
309.22009	0.8
321.22037	1.0
323.23688	1.6
327.23315	0.7
335.23395	1.0
337.25381	0.6
339.26767	0.7
351.26813	1.9
365.28430	0.8
367.26373	1.0
369.27979	0.8
379.30063	1.0
381.27600	0.6
449.34058	1.0
473.33078	0.7
475.35129	0.7
487.34033	0.9
499.39456	0.8
513.35596	0.7
515.37939	0.7
517.40509	5.1
527.37268	0.8
529.39276	0.7
535.41931	3.4
539.37292	2.0
573.43134	0.8
591.44281	7.0
607.43353	2.2
609.45166	100.0
610.45447	6.1
611.47021	0.9
621.44995	1.5
651.46313	1.0
717.47382	0.8
735.48383	1.1
753.49756	1.6
771.50482	20.8
772.51129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.5
55.05280	2.3
55.05517	35.4
57.03445	20.8
57.07068	4.6
61.02915	8.1
65.03931	6.0
67.05508	100.0
69.03438	28.1
69.07072	28.7
69.74051	5.2
69.74445	4.6
71.01364	3.2
71.05000	9.9
73.02919	5.1
79.05495	86.9
81.03426	26.8
81.07062	91.5
83.04987	9.7
83.08626	18.2
85.02901	21.8
85.06521	6.6
87.04434	2.9
89.61935	1.7
91.03961	3.3
91.05483	86.8
91.68910	1.9
93.07045	90.6
95.04980	17.2
95.08613	72.0
96.08900	1.8
97.02908	18.5
97.06522	12.1
97.10173	4.6
99.04436	6.0
99.08109	3.1
101.02364	3.8
103.05464	3.7
105.04536	3.9
105.07037	75.6
107.04939	6.8
107.08596	43.4
109.02873	8.1
109.06544	12.4
109.10158	27.3
111.04478	4.4
111.08087	8.9
113.06008	2.0
115.05455	6.8
116.06255	2.0
117.06232	3.2
117.07021	44.3
119.06054	2.3
119.08588	50.6
121.06538	8.7
121.10143	36.7
123.04408	2.3
123.08055	6.6
123.11697	7.3
125.09605	4.5
127.03961	9.4
128.06221	8.1
129.05478	5.3
129.07022	23.3
130.07788	4.3
131.04951	3.2
131.08580	59.7
133.06445	5.3
133.09160	2.2
133.10143	37.6
135.08087	9.9
135.11705	20.0
137.05983	2.3
137.09607	5.8
141.06956	9.5
142.07776	5.6
143.08577	25.5
145.06503	5.8
145.10132	57.9
147.08066	5.7
147.11705	30.1
149.09639	10.5
149.13342	9.4
151.11206	2.8
153.06943	3.4
153.12753	2.1
154.07791	3.6
155.08557	14.1
156.09416	2.7
157.06506	2.4
157.10129	27.3
159.08072	5.0
159.11699	45.2
161.09676	8.7
161.13242	15.2
163.11191	7.4
163.14795	2.5
165.07028	3.6
165.09189	2.2
165.12735	2.8
167.08533	4.5
168.09274	3.7
169.10115	21.4
171.08040	3.4
171.11690	23.3
173.09651	5.0
173.13274	22.0
175.11172	5.1
175.14894	3.3
177.12820	2.3
179.08476	4.0
181.10109	8.5
183.08060	2.9
183.11705	12.7
185.09668	4.0
185.13286	14.9
187.11182	4.1
187.14787	9.9
189.09113	2.0
189.12801	1.9
191.14297	3.4
193.10197	4.2
195.08098	2.0
195.11691	8.2
197.09625	3.8
197.13289	12.8
199.03674	1.9
199.11214	3.5
199.14760	10.5
201.07634	2.1
201.12746	5.7
201.16371	2.7
203.14195	3.0
207.11700	3.8
209.13214	6.2
211.11169	3.0
211.14842	8.5
213.16399	6.0
215.14243	4.6
217.15889	1.8
221.13220	3.4
223.14867	4.8
225.16406	2.3
229.19545	8.6
231.17438	2.3
231.56427	2.0
235.14909	2.3
237.16388	3.5
239.17947	13.0
241.19658	4.9
247.20584	3.1
255.17491	4.3
257.19016	45.7
259.20520	5.8
261.22144	4.7
269.19101	2.8
271.20566	3.7
273.18475	3.1
275.20050	40.6
277.21603	2.8
285.18442	2.5
285.21808	1.9
287.19952	2.9
293.21298	2.8
299.20117	5.1
301.21561	3.0
311.20068	5.1
311.23581	2.0
313.21515	3.3
325.21744	2.0
327.19589	2.1
327.23083	2.7
331.22714	12.0
333.24207	2.5
335.25824	61.5
349.23792	14.8
363.25616	2.2
365.20822	3.2
369.24033	4.4
373.23633	4.4
383.22104	5.6
387.25247	2.0
391.24701	2.7
401.23108	3.8
419.24133	4.2
446.32022	2.0
493.27798	3.2
517.39679	2.7
555.40704	3.0
591.43445	3.8
607.42932	4.0
609.45135	73.2
610.45331	4.7
621.44489	3.0
651.45654	7.7
699.46246	4.0
717.47491	3.6
735.47833	8.4
753.49139	9.7
771.50476	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05511	16.7
57.03444	6.9
57.07072	4.7
65.03944	2.5
66.64175	1.1
67.05506	49.7
69.03437	9.9
69.07076	15.7
70.94730	1.2
70.95067	1.9
71.04989	3.9
75.67658	1.2
79.05495	44.9
81.03421	17.2
81.07057	51.4
82.07367	1.1
83.04979	5.8
83.08622	7.9
85.02906	7.7
85.06543	2.7
91.04913	1.4
91.05486	37.4
93.07048	52.5
93.07641	2.5
95.04984	8.8
95.08609	37.8
97.02900	4.1
97.06535	6.0
97.10177	4.1
99.04464	4.6
103.03958	2.3
103.05439	1.2
105.04523	2.7
105.07033	37.7
107.04977	9.3
107.08595	28.2
109.02888	6.8
109.06514	10.3
109.10167	14.9
111.04420	1.3
111.08095	2.4
115.05425	1.7
117.07021	11.3
119.07825	0.9
119.08592	20.7
121.06534	9.9
121.10146	16.1
123.08062	7.0
123.11726	3.6
125.09655	1.2
127.03915	11.5
129.05504	1.3
129.07010	3.6
131.08580	23.5
133.06496	3.7
133.10135	21.9
135.08057	4.1
135.11693	12.0
137.05978	1.3
137.09618	3.8
137.13304	2.4
141.07013	1.6
143.08557	3.9
143.22401	1.0
145.04979	2.0
145.06444	3.2
145.10124	18.2
147.08070	3.9
147.11688	14.1
148.16251	1.0
149.09642	6.2
149.13252	6.3
149.93999	1.0
151.11172	3.8
155.08568	2.7
157.10161	3.7
159.08086	3.5
159.11705	10.4
161.09654	4.1
161.13287	5.2
163.11188	4.5
163.14859	3.1
165.05470	2.4
165.12738	1.1
169.10117	3.0
171.11676	3.8
173.09633	3.1
173.13281	8.1
175.11240	2.9
175.14761	2.6
177.09073	1.3
177.12796	2.8
177.16374	1.3
179.14246	1.3
183.06509	3.5
183.11725	3.0
187.11168	2.4
187.14774	1.9
189.12721	1.7
191.14305	1.6
197.13318	1.5
199.14844	2.0
201.07578	1.2
201.12753	3.3
203.14308	1.7
207.13756	2.8
215.14432	1.7
219.13791	2.9
229.19548	2.7
233.18912	1.7
239.17984	3.3
243.21111	1.7
247.20639	2.9
257.19006	11.4
259.20572	2.1
261.22131	10.7
273.18634	1.5
275.20071	100.0
276.20435	2.9
277.21832	1.6
293.21155	15.8
313.40329	0.9
335.25836	2.9
349.23758	52.1
355.22537	1.8
363.25537	1.3
365.21112	1.1
377.23334	9.9
383.22272	1.3
387.24957	1.5
391.25064	4.9
405.26276	2.4
419.24176	1.3
457.25998	6.3
475.26962	1.7
493.27722	2.2
609.45038	2.8
699.57135	1.2
753.48224	1.4
771.47931	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05517	1.9
57.03429	0.4
59.04994	0.4
61.02921	0.5
62.06094	0.5
67.05512	1.0
69.03432	2.1
69.07061	1.0
70.06581	1.4
70.23058	1.3
71.04950	0.4
71.08640	3.7
72.08141	0.6
77.03919	0.6
79.05500	2.4
81.03410	1.4
81.07052	2.4
83.04977	1.4
83.08612	0.7
84.08162	0.9
85.02912	3.0
86.06069	5.3
86.09708	0.9
87.00819	0.4
91.05502	1.3
93.07040	1.5
95.04984	1.8
95.08602	2.7
96.08132	1.5
97.02876	1.9
98.06036	0.5
98.09690	2.8
99.04456	0.6
99.08101	3.3
101.06016	1.4
103.04009	0.3
105.04490	0.8
105.07026	1.2
107.04959	100.0
107.08588	1.3
108.05318	1.8
108.08129	0.7
109.02899	0.9
109.10166	1.2
111.04454	2.4
116.10737	13.0
119.08595	0.8
121.10149	1.1
122.09666	0.7
123.11637	0.7
124.07554	0.6
127.03930	2.6
129.05508	0.8
133.10088	0.4
135.11699	0.9
137.05957	0.4
140.10709	0.4
142.08649	2.5
143.10701	1.2
145.04965	0.7
147.11632	1.0
149.13257	0.5
154.15895	1.8
164.10719	1.3
166.15933	1.0
173.08122	1.0
178.15952	0.4
180.13861	0.4
182.15430	1.2
189.16486	0.3
189.98964	0.4
190.12311	1.2
196.16991	3.2
198.15015	0.5
208.13397	1.5
214.18027	44.4
215.18398	1.0
218.54950	0.3
226.14392	9.1
244.15459	31.5
261.13443	0.9
273.25845	0.9
291.26895	0.8
309.27988	0.7
324.21829	0.6
342.22760	19.0
343.22815	0.5
353.10431	0.3
376.23325	7.6
406.20654	4.4
421.62613	0.4
504.28055	9.2
512.25153	1.9
568.26160	1.0
610.32111	0.8
674.30042	1.2
772.37744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2135
Annotation	kaempferol 3-O-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
54.25563	0.1
54.29963	0.1
54.32397	0.1
55.01842	0.3
57.03430	0.5
59.04979	0.1
60.90446	0.1
61.02929	0.8
65.42887	0.1
67.38672	0.1
67.87139	0.1
68.99773	0.3
69.03432	2.3
70.03383	0.3
71.04967	0.2
73.02869	0.2
79.05451	0.1
81.03011	0.1
81.03422	1.2
83.01302	0.1
85.02908	7.2
87.04462	0.2
91.03912	0.3
91.04460	0.1
97.02316	0.1
97.02892	1.9
99.04410	0.2
105.03362	0.2
107.04926	0.2
109.02895	0.7
111.00827	0.4
115.03910	0.1
121.02026	0.1
121.02863	2.0
121.90234	0.1
127.03922	1.7
133.02869	0.4
135.04419	0.1
137.02312	0.5
145.04965	1.4
145.06297	0.1
145.06505	0.1
147.04390	0.4
153.01830	2.4
157.06445	0.2
163.05972	0.1
165.01851	1.2
171.04486	0.1
175.03836	0.1
183.02888	0.5
185.05977	0.3
188.62263	0.1
189.05486	0.1
199.03911	0.1
201.05429	0.1
203.03464	0.1
203.07042	0.1
213.05484	1.1
231.06528	0.6
241.04886	0.7
258.05267	0.7
259.06030	0.3
269.04510	0.2
270.05142	0.1
287.05499	100.0
288.05823	2.3
292.79669	0.1
299.05701	0.1
303.04898	0.1
311.05594	0.1
329.06702	0.4
353.06424	0.1
449.10815	23.9
450.11185	0.7
491.11719	0.1
611.16113	4.5
612.16272	0.3
778.03546	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	773.2133
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
55.01865	0.6
57.03439	1.1
61.02927	1.3
65.03934	0.2
65.27767	0.1
66.06474	0.1
68.99802	0.3
69.03429	3.6
70.23351	0.1
70.92838	0.2
71.05010	0.5
73.02924	0.5
79.05495	0.1
81.03418	1.4
83.01347	0.1
85.02906	13.2
87.04475	0.3
91.03955	0.7
97.02892	4.4
99.04452	0.7
105.03394	0.2
107.04942	0.2
109.02890	1.2
111.00797	0.6
115.03961	0.1
121.02863	2.0
127.03920	2.9
127.04811	0.2
133.02847	0.3
137.02342	0.6
145.04956	3.4
147.04407	0.4
153.01823	2.6
157.06465	0.2
163.06081	0.6
165.01814	1.1
171.04388	0.2
181.16550	0.1
183.02892	0.6
185.05984	0.2
189.05426	0.2
203.07156	0.2
205.00926	0.1
213.05423	0.8
231.06575	0.4
241.04971	0.7
245.53842	0.1
258.05258	0.7
259.06104	0.3
269.01740	0.1
269.04477	0.2
273.40750	0.1
287.05493	100.0
288.05817	3.0
299.05554	0.3
303.04984	0.4
329.06528	0.5
353.06287	0.1
374.53885	0.1
449.10800	13.8
450.11172	0.7
666.99780	0.1
718.18323	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	773.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
67.05518	0.6
69.03433	1.9
69.07063	1.2
70.06593	1.0
70.72855	0.7
70.73200	1.0
71.08645	0.7
77.03925	0.7
79.05499	2.9
81.03420	0.9
81.07053	0.7
83.04959	0.6
85.02911	1.7
86.06083	2.2
86.09721	3.6
91.05471	1.1
91.86826	0.4
93.07061	0.5
94.07375	0.7
95.04957	2.3
95.08623	0.8
97.02897	1.7
98.09693	1.4
99.08110	1.0
103.05453	1.3
105.04530	1.1
105.07040	0.9
107.04961	100.0
108.05294	6.7
109.02883	1.1
111.04441	0.7
116.10747	2.8
117.11112	0.5
121.06545	0.5
127.03988	0.9
129.03163	2.4
130.06531	0.5
131.04930	5.5
132.08092	0.9
137.06020	0.8
142.08632	0.9
143.04536	0.6
143.08626	0.4
147.04324	0.5
149.13264	0.6
151.07454	0.5
159.09180	1.0
167.06821	3.1
169.07588	0.7
179.08791	0.5
181.04900	0.5
185.04227	4.4
195.06285	7.0
213.07350	19.5
214.18129	0.7
226.14388	3.0
227.14778	1.4
244.15456	13.5
244.17882	0.9
245.15784	5.2
273.07578	0.5
274.12079	1.3
291.26654	0.6
302.11423	2.1
309.09479	0.6
315.08395	2.5
317.71933	0.5
333.09457	9.2
342.22733	3.1
343.23059	2.5
354.92471	0.5
357.11719	1.1
359.71942	0.5
375.12704	2.5
404.52161	0.5
406.20874	1.5
407.21191	1.4
415.19958	1.9
419.16849	6.9
435.16418	4.5
463.15790	9.5
481.16812	30.8
482.17236	1.1
486.86072	0.5
489.19293	0.5
504.28110	1.4
505.16818	20.9
505.28845	1.5
506.17215	0.7
507.20099	0.5
667.22339	2.2
773.26221	19.9
774.26685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.1
70.06573	1.0
74.64981	0.5
76.26705	0.5
77.03894	0.6
79.05500	2.4
81.03413	0.7
81.07053	0.6
85.02901	1.5
91.05490	0.7
95.04969	1.9
97.02895	1.6
98.20708	0.8
103.05442	0.9
105.04500	0.9
107.04963	100.0
108.05295	3.8
109.02878	0.7
119.04951	0.5
129.03142	3.1
131.04945	4.6
132.27025	0.6
167.06860	4.3
185.04239	5.9
195.06316	7.8
213.07352	25.6
253.21637	0.5
260.66544	0.5
273.07462	1.5
292.91400	0.6
294.28067	0.5
309.09549	1.6
315.05103	0.8
315.08377	4.3
333.09460	14.1
334.09985	0.7
357.11569	1.5
362.84485	0.5
375.07693	0.5
375.12527	2.7
419.16806	10.4
420.17340	0.6
435.16382	5.4
463.15860	13.6
463.21951	1.0
477.14297	0.6
481.16827	46.6
482.17386	1.8
505.16830	31.1
506.17072	1.1
537.86560	0.5
589.73163	0.5
667.22144	3.8
773.26355	22.3
774.26855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05502	0.5
67.05499	0.9
69.03452	1.1
69.07058	0.9
70.06596	1.0
77.03930	0.7
79.05494	2.4
81.03407	1.7
81.07053	1.7
83.04974	0.5
83.14767	0.4
85.02901	2.3
86.09712	0.7
91.05491	2.3
93.07020	1.1
95.04980	1.9
95.08605	0.9
97.02907	1.2
97.06530	0.5
97.10072	0.5
98.21553	0.9
99.04472	0.8
103.05472	3.2
105.04492	0.8
105.07043	2.1
107.04961	100.0
107.08594	0.9
108.05287	3.5
109.02903	0.7
109.10162	1.0
119.08566	1.1
120.08140	0.5
121.06472	1.0
123.04384	0.6
127.03918	1.3
129.03156	2.6
129.06976	0.5
131.04933	8.9
131.08560	1.0
132.05246	0.7
133.06541	0.9
133.10138	1.0
137.05994	1.3
145.10098	1.0
147.11687	0.5
149.06004	0.7
151.07491	0.6
159.11729	0.7
161.05913	0.7
163.07619	0.8
167.06886	4.7
169.10143	0.6
173.09724	0.7
175.11284	0.5
177.05481	0.6
181.04956	1.1
182.56039	0.5
185.04199	3.5
187.11232	1.1
191.07043	0.9
195.06308	7.4
195.07996	0.7
197.09653	0.5
213.05405	0.8
213.07338	13.8
213.09258	0.9
215.10690	0.9
235.07513	0.5
248.70645	0.6
273.07336	2.9
313.10977	0.5
315.08392	4.7
317.15384	0.9
333.09467	29.6
334.09805	1.3
339.11993	0.6
340.86874	0.5
351.84787	0.6
357.11359	1.2
375.12686	0.9
379.36789	0.5
419.16824	7.1
435.16290	4.4
463.15717	8.3
481.16779	15.2
505.16824	46.9
506.17169	2.1
533.16980	0.6
577.20709	0.8
667.22070	4.7
773.26239	25.4
774.26721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
67.05503	1.6
69.03416	1.2
69.07063	0.8
70.06586	1.7
70.72888	0.5
71.48044	0.5
77.03949	0.8
79.05489	3.1
81.03423	1.8
81.07043	1.5
85.02914	2.7
86.09716	0.8
88.98710	0.4
91.05460	1.2
93.07046	1.1
95.04957	2.7
95.08608	1.0
97.02915	1.2
99.04467	0.5
103.05482	3.5
105.04510	1.0
105.07024	1.9
107.04958	100.0
108.05270	2.6
109.02896	1.0
109.10156	1.1
115.05473	0.5
117.07026	0.5
119.08569	0.7
120.08077	0.5
121.06518	1.3
122.03597	0.5
123.04382	0.8
127.03947	1.4
128.06320	0.5
129.03120	2.6
131.04938	9.2
131.08606	0.7
132.05296	1.0
133.06497	0.8
137.05971	1.5
145.10155	0.8
149.05901	0.7
151.03848	1.0
151.07495	0.8
155.08615	0.5
159.08156	0.4
159.11714	0.6
161.03017	0.6
161.06013	0.9
167.06870	4.2
169.10176	0.5
170.47197	0.4
173.09584	0.7
177.05402	0.9
179.08580	0.8
181.05005	0.5
185.04279	3.9
187.11198	0.5
189.09048	0.5
189.88641	0.6
195.06294	6.8
213.05345	0.8
213.07310	13.7
213.09210	0.9
215.10738	1.2
235.11346	0.5
273.07367	4.2
315.08383	4.5
329.12195	0.5
333.09448	32.4
334.09933	0.5
335.16699	0.5
355.11804	0.8
357.11639	1.1
359.13516	0.6
360.28363	0.5
372.91443	0.6
375.12811	1.0
401.14682	0.9
413.30453	0.5
419.16867	7.5
435.16272	4.5
463.15710	9.9
481.16846	14.6
505.16812	44.3
506.17166	2.2
509.81119	0.6
547.20544	0.5
556.41553	0.6
577.20807	1.2
667.22101	4.5
773.26270	28.6
774.26611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.5
55.05519	37.8
57.03438	19.1
57.07079	5.5
57.63909	3.4
59.30656	4.0
61.02908	13.9
61.12476	3.8
65.03931	7.2
67.05507	100.0
69.03419	9.9
69.07075	27.4
69.57140	10.0
69.57550	13.0
71.04977	9.8
73.02898	8.2
75.58407	3.5
79.05492	80.8
80.87994	3.5
81.03413	9.8
81.07058	89.5
83.08614	16.0
85.02888	14.8
91.03940	7.0
91.05482	69.8
93.06487	6.4
93.07050	90.1
94.07336	4.2
95.04961	12.1
95.08607	88.4
97.02889	11.7
97.06554	4.8
97.10184	5.9
99.08115	3.8
105.07024	64.5
105.78016	3.6
106.07284	3.8
107.04974	6.2
107.08591	47.6
109.06505	5.8
109.10137	24.1
111.04483	3.8
117.07021	24.8
117.28863	3.6
119.08588	55.4
121.10135	39.3
123.08054	3.8
123.11704	8.3
125.09711	4.4
129.07001	18.3
131.08574	41.0
133.10138	34.1
135.08029	4.8
135.11691	25.3
137.13332	4.6
141.06940	5.4
143.08565	15.3
145.10136	48.0
147.11714	37.8
149.09570	4.6
149.13266	13.1
155.08516	8.0
157.10135	20.0
159.11694	24.1
161.13298	23.1
163.11157	6.7
163.14775	4.2
169.10072	7.6
171.11705	18.1
173.13258	22.2
175.14783	10.5
177.12918	3.7
181.10143	5.3
183.11673	4.7
185.13280	16.9
187.14833	10.7
195.11615	6.7
197.13248	9.1
199.14824	11.6
201.16211	3.6
213.16478	6.5
215.17805	4.2
231.20982	4.6
239.17831	6.1
241.19662	21.0
243.21065	6.8
257.09485	3.9
257.19067	7.4
259.20575	40.0
261.22223	8.8
285.18539	3.6
301.21756	4.6
303.27475	3.4
333.24292	29.2
335.25812	77.0
346.14111	4.2
367.22815	4.2
403.24918	5.6
593.45032	7.5
609.44464	4.8
610.45734	4.0
611.37915	6.3
611.46722	88.3
612.46960	6.7
624.17572	4.0
668.48651	4.0
701.47919	5.9
737.49023	7.2
755.50348	7.1
773.50708	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
55.05512	24.6
57.03440	11.4
57.07055	4.1
61.02936	16.3
61.66381	1.9
65.03960	4.1
66.96214	1.9
67.05508	70.6
69.03423	8.2
69.07066	23.6
69.13361	7.4
69.13788	15.7
71.01348	3.3
71.04980	4.8
73.02892	5.9
79.05495	62.6
81.03408	8.5
81.06593	4.1
81.07059	65.4
83.01312	2.1
83.04964	2.4
83.08619	11.8
84.18712	2.2
85.02930	13.1
85.06522	3.5
86.51723	2.2
90.14276	2.1
91.03944	6.4
91.05485	58.1
93.06491	4.4
93.07050	63.5
95.04958	7.3
95.08610	55.9
97.02898	13.2
97.06510	4.7
97.10193	3.3
99.08055	3.0
105.04515	3.6
105.07035	55.4
107.04910	2.6
107.08593	40.1
109.06522	2.6
109.10165	21.2
109.65011	2.2
111.08055	2.8
115.05465	4.4
117.06995	18.9
117.51324	2.6
119.08591	47.0
121.06513	3.6
121.10146	29.2
123.11720	5.9
128.06210	3.7
129.06998	17.0
131.08575	37.9
133.06505	3.3
133.10138	35.4
135.08014	2.2
135.11678	17.9
137.09619	3.7
141.06972	5.7
141.49107	2.1
142.07782	4.4
143.08565	19.4
145.10132	32.6
147.11700	29.2
149.13252	10.3
155.08566	6.1
157.10133	14.3
159.11678	26.6
161.13272	21.8
163.14856	5.0
167.08525	2.1
169.10120	6.9
171.11702	17.6
173.13281	20.8
175.14827	7.4
181.10135	4.8
183.11671	8.1
184.80698	2.7
185.13315	16.3
187.11154	3.0
187.14857	6.2
189.16452	2.1
193.10178	2.6
195.11729	3.0
197.13245	7.3
199.14824	8.5
201.16397	5.1
209.13239	4.0
211.14690	4.5
213.16425	4.9
225.16333	3.0
226.15981	2.1
231.20918	2.5
235.17821	2.9
237.16255	3.7
239.17900	2.6
241.19508	23.0
243.21092	3.0
257.18961	6.7
259.20590	42.4
261.22110	5.6
271.20520	3.3
275.20059	3.8
301.21622	4.8
313.21753	2.5
322.27478	2.5
333.24283	20.9
335.12106	2.2
335.25854	50.3
336.26483	2.3
337.27350	2.8
367.22668	3.3
385.23724	2.9
403.24612	2.2
422.75220	2.3
445.41165	2.3
519.41608	6.8
593.45599	8.1
609.44684	4.9
611.46686	100.0
612.46686	5.3
701.47748	4.0
719.48340	3.9
755.49957	6.2
773.52148	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05518	31.2
57.03419	8.2
57.07061	7.0
60.27531	2.0
61.02907	2.7
65.03938	6.7
67.05508	95.0
69.03436	14.5
69.07073	27.6
69.15875	23.2
71.04983	4.7
71.08615	3.4
77.03900	2.1
79.05495	77.4
81.03429	15.1
81.07058	89.9
83.04972	7.5
83.08622	20.6
85.02909	12.7
85.06552	3.3
85.82283	2.3
91.04913	4.0
91.05484	77.4
93.07048	100.0
93.07640	5.4
95.04968	14.2
95.08612	65.0
97.02876	10.0
97.06540	4.1
97.10165	6.2
99.04445	4.6
99.08084	3.3
105.04520	4.2
105.07036	68.7
107.04923	4.2
107.08597	55.0
109.02876	4.9
109.06537	5.4
109.10162	30.9
111.04414	3.8
115.05469	4.1
116.06274	2.8
117.07024	31.3
119.07711	3.0
119.08584	57.7
120.08932	2.4
121.06528	5.4
121.10148	46.9
123.04487	2.7
123.08048	3.5
123.11699	7.7
125.09639	4.5
127.03880	6.7
128.06230	5.4
129.05475	3.5
129.06996	20.4
130.07809	2.3
131.08575	50.9
133.06442	3.0
133.10135	45.1
135.08034	7.0
135.11700	35.5
137.09612	4.9
139.11162	2.5
141.06964	6.7
142.07751	6.6
143.08559	28.7
145.04942	2.7
145.06465	2.7
145.10132	49.1
147.08035	3.2
147.11690	39.1
149.09605	4.4
149.13277	19.8
155.08517	12.2
156.09384	3.2
157.06474	2.5
157.10141	27.1
159.08034	2.9
159.11699	35.3
161.09612	3.7
161.13260	26.1
163.11168	3.6
163.14743	4.5
167.08545	4.7
168.09357	2.5
169.10126	15.8
170.10960	3.5
171.08060	3.9
171.11684	23.4
173.09647	2.8
173.13269	27.5
175.11142	4.8
175.14816	10.8
181.10083	6.2
182.10965	2.7
183.11766	12.2
185.09573	2.8
185.13255	20.2
187.14807	13.0
189.12663	5.5
193.10208	4.8
195.11639	8.1
197.13245	9.4
199.11134	4.4
199.14787	10.4
201.16360	5.3
203.63658	2.5
207.11655	2.4
209.13271	4.5
211.11092	2.6
211.14839	6.8
213.12721	2.5
213.16357	8.0
215.17979	2.9
219.49304	2.2
221.15259	2.1
223.14745	4.8
225.12898	4.2
225.16460	3.7
229.19701	2.7
231.17526	3.3
231.21098	4.7
239.17938	6.1
241.19508	16.3
243.21091	5.1
249.16164	2.3
253.19519	3.4
257.18991	7.6
259.20612	33.3
261.22186	16.0
271.20508	5.4
273.22052	3.0
275.20004	4.5
277.21622	6.2
283.16928	2.2
283.20438	3.7
289.21732	4.0
289.97977	2.6
301.21600	10.1
303.23135	3.6
307.20465	2.2
313.21631	3.1
315.23074	2.7
323.22961	2.2
331.22910	3.7
333.24246	7.2
335.25833	7.2
339.22992	3.6
343.22626	3.7
349.23709	7.2
351.25424	50.5
361.23788	2.3
363.25095	3.6
367.22693	12.4
369.24173	2.9
375.25320	5.4
385.23669	9.5
387.25220	3.5
403.24841	7.9
417.26160	4.3
421.25644	7.6
421.30750	2.7
441.26410	22.2
441.32065	3.3
459.27426	2.9
477.28479	3.6
519.42047	3.7
537.43646	3.0
611.46948	19.5
663.46301	2.5
681.46832	6.4
719.48572	5.9
737.49408	7.6
755.50946	12.6
773.52063	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10799	0.1
55.01877	0.3
57.01958	0.1
60.92295	0.1
65.03947	0.4
66.04722	0.6
71.48267	0.2
71.48672	0.2
76.33712	0.1
77.03931	0.4
79.05496	1.4
81.07063	0.2
85.02904	0.2
86.09743	0.1
91.05493	0.5
93.38560	0.1
94.04184	3.2
95.04997	0.8
96.53210	0.1
97.02922	0.1
105.04544	0.3
107.04960	50.3
108.05287	0.6
122.02751	0.3
122.03651	6.9
137.05983	100.0
138.06311	1.2
141.02744	0.1
168.66106	0.1
172.48538	0.2
183.08163	0.2
200.95894	0.2
243.10175	0.6
431.79037	0.1
482.65341	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
55.05510	22.6
57.00447	1.6
57.03443	20.0
57.07082	2.5
60.17826	1.5
65.03928	3.8
67.05507	63.7
68.05860	1.9
69.03430	3.7
69.07064	14.4
71.04977	4.1
79.05494	46.3
81.03422	90.4
81.07058	60.1
83.04964	6.2
83.08624	25.1
85.02933	1.8
85.06568	1.8
91.05486	39.5
93.06485	3.2
93.07047	49.3
95.04971	29.2
95.08611	44.2
96.76360	1.8
97.02874	2.4
97.06543	4.0
97.10175	9.7
97.82320	1.6
105.07037	28.2
107.04961	7.0
107.08600	24.4
109.06519	5.9
109.10156	20.5
111.04436	2.8
111.08068	6.6
115.05457	2.2
117.07010	8.7
119.08579	26.1
121.06512	5.2
121.10149	25.4
123.04411	2.5
123.08059	3.6
123.11708	6.8
125.09627	5.4
129.07010	10.3
131.08554	19.6
133.06496	5.0
133.10136	13.4
135.08064	3.1
135.11681	11.9
137.09637	2.5
137.13235	2.5
142.07808	2.6
143.08571	3.4
145.10120	13.2
147.08046	4.5
147.11699	11.9
149.09636	7.0
149.13248	8.0
157.10143	12.5
159.11691	6.3
161.13261	7.2
163.11137	3.0
163.14845	3.2
173.13298	6.0
175.11200	9.0
177.16254	2.0
187.14810	3.8
189.11250	5.2
193.12242	24.9
227.12859	6.9
231.47325	1.7
237.99648	1.6
243.21153	4.9
249.14758	3.1
261.22186	17.0
267.15927	100.0
268.16226	3.0
277.21887	1.8
286.54703	1.9
301.25165	3.1
309.16956	3.5
317.24927	3.5
335.25803	85.6
336.26208	3.0
435.32510	4.8
453.33530	7.2
471.34650	4.4
527.37341	60.1
528.37592	2.4
545.30560	3.0
545.38367	43.5
546.38678	2.7
559.39526	3.2
569.38239	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	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
55.05515	23.2
57.03434	11.1
57.07063	3.3
61.02941	3.8
65.03940	3.6
67.05505	72.1
69.03439	5.0
69.07062	20.4
70.06590	10.1
70.16444	2.7
70.16783	11.8
71.05001	34.9
79.05499	61.2
81.03418	7.3
81.06590	5.6
81.07061	100.0
83.04982	7.8
83.08604	13.6
85.02905	3.6
85.06552	10.6
91.05482	69.4
93.07052	52.8
95.04961	10.3
95.08615	36.4
97.02910	5.0
97.06538	8.7
97.10108	5.5
105.07034	55.9
107.04954	5.0
107.08595	38.9
109.06512	3.3
109.10186	17.0
111.08103	4.6
117.07026	22.9
119.08583	41.5
121.10152	20.0
123.11736	11.4
125.09633	5.3
129.06992	8.6
131.08598	29.1
133.10135	50.3
135.11691	13.3
142.07729	2.6
143.08559	11.3
145.10133	23.4
147.11694	30.4
149.09610	4.5
149.13263	11.7
151.11189	9.0
155.08574	4.0
157.10147	12.2
157.67313	2.9
159.11707	22.1
161.13298	13.2
163.14937	3.4
169.10132	4.4
171.11653	9.0
173.13258	8.1
175.11298	3.5
175.14888	6.6
177.12778	5.9
183.11742	5.8
183.13812	4.9
185.13274	5.8
187.13353	3.4
187.14844	6.9
197.13222	5.9
199.14851	3.5
201.14899	4.2
211.14935	3.3
213.16408	3.1
241.19537	11.6
243.15956	3.7
257.17490	7.3
259.20731	26.3
261.22141	3.8
267.15991	6.9
269.17365	6.5
297.21802	3.1
299.18326	3.6
301.20013	21.9
315.23212	9.4
333.24228	29.8
335.25854	8.7
340.30566	2.9
409.30930	2.8
435.32584	6.3
483.34622	9.9
501.35751	71.9
502.35941	4.8
503.37018	4.0
509.36316	5.7
527.30194	3.7
527.37476	49.3
528.37457	3.4
533.37933	6.5
545.38562	7.1
559.40222	18.8
660.03198	3.2
774.40619	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	775.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	33.2
57.03430	15.0
61.00564	3.9
65.03952	4.5
67.05508	96.9
69.03432	12.0
69.07073	30.1
70.17178	4.6
71.40693	8.6
79.05491	58.4
81.03416	11.8
81.07062	100.0
83.04983	4.5
83.08624	7.4
85.02913	6.2
91.05486	45.2
93.07050	69.2
95.04978	10.6
95.08617	63.9
97.02904	6.2
97.06544	7.8
97.10162	8.8
99.08116	6.3
103.05515	4.4
105.07035	43.9
107.04922	4.7
107.08608	48.2
109.06523	6.9
109.10157	33.4
111.08096	6.9
116.32096	3.6
117.07015	18.1
119.08583	28.1
121.06527	6.3
121.10150	35.0
123.11711	14.2
129.07030	10.4
131.08592	28.9
133.10141	26.4
134.79898	4.2
135.08028	4.7
135.11705	20.7
143.08556	5.9
145.10121	24.4
147.08043	5.3
147.11707	12.2
149.09528	5.9
149.13229	10.8
157.10196	7.4
159.11739	17.7
160.42004	4.8
161.09593	7.7
161.13292	7.9
171.11667	8.1
173.13281	10.9
175.14702	5.6
180.72978	4.3
187.14832	5.1
211.05553	5.5
243.21242	5.0
259.20581	6.1
261.22144	13.4
263.23779	5.6
277.21777	5.1
317.28110	5.0
327.23462	4.9
331.22647	5.7
333.24542	5.4
335.25848	77.3
337.27484	5.8
369.24277	9.3
387.25085	6.2
405.26495	5.1
613.48547	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	776.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58963	0.1
55.01869	0.5
57.03437	0.2
69.03418	1.1
69.15432	0.2
69.15836	1.4
71.05000	0.2
73.02930	0.2
77.03931	0.5
79.05490	1.7
81.03423	0.9
81.07079	0.2
85.02904	2.2
87.00815	0.9
95.04976	1.4
97.02899	1.1
99.04440	0.4
105.01884	0.7
105.04518	0.6
107.04957	100.0
108.05269	1.2
109.02891	1.1
127.03907	1.7
129.01904	0.2
141.06993	0.2
145.05014	0.9
153.07028	0.2
155.08554	0.5
159.02910	0.5
165.07013	0.7
167.08551	0.4
179.08594	0.2
182.07289	0.2
183.08049	2.2
194.07289	0.2
195.08080	0.3
197.09648	1.1
197.48920	0.2
207.08025	0.3
209.05968	0.2
210.06767	0.5
211.07529	6.0
212.08272	1.1
215.10637	0.2
223.07672	0.2
224.08276	0.4
225.09099	1.3
226.09955	0.2
227.10863	0.3
228.07788	1.0
231.05045	0.5
235.07628	0.3
236.08336	0.6
237.09097	0.3
238.10039	0.2
239.07056	0.3
239.10616	0.7
240.07903	1.3
241.08574	0.6
243.10168	22.7
244.10477	0.4
249.09113	0.4
253.08638	0.3
253.12347	0.1
255.10175	8.1
263.10681	0.3
265.08475	0.2
266.09189	0.2
267.10172	9.9
268.10419	0.3
269.08228	0.2
277.08493	0.2
279.10172	0.6
279.13110	0.2
281.11725	1.1
285.11188	0.7
291.10324	0.4
295.13242	0.2
299.62921	0.2
305.11722	0.4
309.11221	4.7
314.82980	0.2
321.11307	0.2
323.12863	0.2
333.11221	1.7
343.13293	0.2
347.92523	0.2
349.14398	1.3
351.12283	4.1
352.12677	0.3
353.52448	0.2
358.31284	0.2
373.14413	0.5
417.15564	0.2
437.12314	0.6
455.13318	1.5
491.15421	1.3
503.15475	7.1
504.15463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.1
55.05516	43.8
57.03197	1.6
57.03444	15.7
57.07079	2.1
59.04998	3.7
61.02906	4.0
65.03929	5.7
67.05510	100.0
68.05810	1.4
69.03423	5.9
69.07071	17.8
69.30083	3.0
69.30486	9.3
70.06599	1.7
71.01340	2.0
71.04990	3.9
73.02917	1.8
79.05499	50.6
81.03419	6.3
81.07064	62.8
83.04988	6.6
83.08632	15.0
85.02914	16.9
85.06528	2.5
87.04461	5.4
91.05489	26.5
93.06487	2.4
93.07052	38.6
95.04966	5.7
95.07999	2.4
95.08614	43.5
97.02892	2.6
97.06521	5.2
97.10177	18.8
98.21591	2.0
99.08073	1.4
103.05453	2.3
105.04527	1.6
105.07033	19.4
107.04961	10.8
107.08611	25.7
108.05297	2.2
109.06558	3.2
109.10168	56.5
111.08082	3.5
117.07011	8.7
119.08585	18.0
121.09467	1.5
121.10165	16.4
123.08057	4.1
123.11699	3.8
125.09643	17.1
129.06984	1.9
131.04901	3.2
131.08553	12.1
133.10144	9.3
135.08029	1.7
135.11713	9.6
137.09633	3.5
137.13243	1.3
139.11186	1.8
143.08690	1.6
143.10698	2.9
145.10162	10.7
147.11710	6.4
149.09616	2.1
149.13286	5.0
155.08530	1.6
155.10690	4.0
157.10149	3.0
159.11722	6.6
161.13271	4.1
163.11157	4.3
163.14873	3.0
171.11678	3.2
173.11726	8.6
173.13258	3.7
175.11342	1.4
177.12770	1.5
181.12177	1.5
187.14786	2.0
199.13365	8.1
209.11736	2.7
217.14378	2.4
227.12830	6.0
229.14349	39.4
230.14581	1.5
243.21063	3.5
245.13734	1.6
257.13821	1.5
261.22128	11.5
267.15939	4.7
267.57275	1.3
301.16461	13.6
335.25818	61.7
336.26108	3.5
474.62808	1.5
477.35907	8.0
489.35791	10.8
543.36700	3.6
561.37616	5.9
579.38293	2.1
776.40936	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	776.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05513	39.9
57.03441	15.4
57.07067	2.8
59.04984	3.7
61.02920	4.3
65.03927	4.6
67.05508	100.0
69.03447	2.7
69.07076	20.2
69.76923	6.7
71.01342	1.4
71.04977	4.4
75.41724	1.1
79.05497	45.9
81.03433	6.7
81.07058	63.1
83.04964	4.6
83.08625	12.3
85.02909	14.7
85.06541	2.8
87.04455	5.6
91.05481	25.8
93.07047	45.7
95.04968	7.4
95.08614	41.4
97.02905	4.7
97.06516	4.6
97.10164	21.2
99.08088	1.8
103.03949	1.7
103.05430	1.9
105.04541	1.4
105.07034	17.1
107.04953	9.8
107.08596	26.6
108.05283	2.1
109.06537	2.0
109.10161	54.4
111.08057	3.8
111.11735	1.7
117.07035	6.3
119.08586	15.7
121.06530	2.1
121.10154	18.4
123.08110	3.7
123.11688	4.9
125.09625	19.1
129.07014	2.1
131.04839	1.4
131.08565	11.7
133.10146	10.4
135.08054	1.6
135.11691	13.2
137.09602	2.9
139.11218	2.1
143.08572	2.0
143.10693	3.5
145.10136	8.6
147.08043	1.5
147.11687	6.5
148.73064	1.2
149.09619	1.8
149.13254	5.5
151.11133	1.4
153.12822	2.3
155.10689	3.8
157.10187	1.8
159.11714	6.0
161.13239	4.3
163.11180	5.3
163.14803	3.8
171.11726	2.9
173.11746	11.1
173.13275	6.6
175.11194	1.8
175.14818	3.1
183.11635	1.5
185.13301	1.9
187.14812	1.7
189.11240	2.0
193.12291	3.2
199.13312	8.7
199.14886	1.8
201.16354	1.4
209.11726	2.1
217.14409	1.7
227.12718	6.6
229.14348	45.3
243.21129	3.1
245.13762	1.7
257.13983	1.7
259.20575	2.3
261.22122	11.5
267.15915	4.0
298.20984	1.5
301.16507	14.3
317.24713	2.4
327.23071	1.5
335.25827	69.4
336.26044	3.1
461.12671	1.4
477.35822	8.4
489.35745	17.6
543.36365	2.0
561.37585	5.2
579.38367	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	778.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
57.03453	0.3
59.89368	0.2
61.02937	1.4
67.05510	2.3
68.05032	1.1
68.75488	0.2
69.03430	0.8
69.07070	0.5
70.06598	100.0
70.37084	0.3
71.06929	0.8
73.02925	0.7
79.05505	1.5
81.03445	0.5
81.07055	2.0
83.08611	0.4
85.02930	1.2
86.44386	0.3
88.25049	0.3
91.03926	0.5
91.05493	1.6
93.07065	1.9
95.08620	1.1
97.02908	1.0
101.02433	0.3
105.07069	0.9
107.04939	0.6
107.08604	1.2
108.08250	0.3
109.10198	0.8
117.07008	0.4
119.08624	0.5
121.10189	0.5
127.03918	0.2
131.08585	0.5
133.10173	0.4
145.10193	0.5
151.03885	0.4
228.91655	0.3
264.19659	0.6
285.16797	0.3
335.25955	1.0
338.23306	0.3
347.43362	0.3
356.24591	0.5
497.31122	0.3
598.45074	0.3
616.45752	4.9
617.46667	0.3
778.39996	0.6
778.51196	13.7
779.39160	0.4
779.51617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87575	1.5
55.05281	2.1
55.05518	24.2
57.03188	2.3
57.03442	16.9
57.07079	3.6
60.08150	1.4
61.02914	3.3
65.03935	4.4
67.05506	91.6
68.56852	1.4
69.06723	2.2
69.07070	22.2
70.06577	3.3
71.04981	3.2
71.07357	3.0
71.08596	2.2
71.09402	2.9
73.02906	1.5
79.05495	62.4
81.03436	2.6
81.07058	100.0
83.08621	12.7
85.02908	3.9
85.06533	2.8
85.36714	1.5
86.09711	13.8
91.03946	2.3
91.05483	37.3
93.07047	72.4
93.94380	1.7
95.04955	4.6
95.08610	74.3
97.02861	2.8
97.06525	5.3
97.10175	4.2
98.98501	1.4
99.08096	2.0
105.04524	1.7
105.07030	30.2
106.07414	1.5
107.07887	2.9
107.08595	46.3
108.08932	1.9
109.06506	2.2
109.10168	30.7
111.08080	2.4
116.07076	2.1
117.07017	13.6
119.08589	26.7
121.06514	1.6
121.09332	2.6
121.10144	31.7
123.08067	1.7
123.11720	12.1
125.00018	9.5
129.06949	1.7
129.83540	1.6
131.08571	18.2
131.27008	1.4
133.10135	23.4
135.11694	19.7
137.13193	4.0
143.08569	3.9
145.10117	18.6
147.11705	15.5
149.13243	10.7
151.07544	2.2
151.11153	1.6
155.08498	1.7
157.10133	2.4
159.11690	14.0
161.13264	9.8
163.14832	5.9
171.11653	4.1
173.13307	7.6
175.14828	5.3
177.12686	1.7
184.07343	43.3
185.13257	3.8
187.14748	7.0
189.16435	1.7
199.14833	3.6
201.16435	3.5
213.16278	2.0
219.17509	1.8
224.31039	1.4
227.18080	2.4
229.19502	5.4
241.19635	2.2
243.21111	5.7
245.18991	5.1
247.20567	12.7
257.61295	1.5
259.20511	5.9
261.22131	15.6
276.40659	1.5
299.23773	1.9
303.23279	2.9
317.24802	3.5
319.22647	3.3
321.24240	69.7
322.24637	1.9
323.25702	7.6
331.26031	2.1
333.23886	3.3
335.25790	76.4
337.27237	4.8
387.28955	2.0
460.60452	1.6
507.41705	2.7
581.45605	17.2
582.45886	2.5
599.46478	13.7
778.53772	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	779.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	1.5
69.58289	7.3
70.06594	1.2
99.62628	1.2
104.21777	1.4
105.29746	1.4
107.04970	3.3
130.94336	1.3
158.72229	1.3
286.36206	1.3
367.85828	1.2
779.43372	100.0
780.43695	7.0
804.32721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05513	1.6
57.03431	1.5
61.02931	5.8
66.50644	0.4
66.54601	0.3
66.61503	0.3
67.05505	4.9
69.03430	3.1
69.07068	1.2
70.06602	0.8
70.98629	0.4
70.98954	0.6
71.01340	0.4
71.04998	1.1
73.02915	3.7
79.05490	3.7
81.03423	2.8
81.07063	4.3
83.04987	0.4
83.08618	0.7
85.02910	4.5
87.04474	0.6
91.03951	3.0
91.05476	3.2
93.07052	4.1
95.04958	0.9
95.08604	2.6
97.02898	4.1
99.04469	0.7
101.02383	1.6
103.03973	0.3
105.07028	1.9
107.04987	0.5
107.08587	1.8
109.02866	0.7
109.06557	0.4
109.10151	1.7
109.30672	0.3
111.08086	0.7
115.05515	0.4
115.44314	0.4
117.07064	0.4
119.08630	1.0
121.10161	1.6
123.11705	0.5
127.03944	1.1
129.07053	0.8
131.08574	0.9
133.10173	0.9
135.11681	0.6
145.61832	0.4
147.11670	0.9
149.09610	0.8
149.13336	0.4
173.08476	0.4
174.86839	0.4
175.11243	0.6
185.04213	0.6
193.12334	0.8
203.05321	0.4
243.08441	2.2
283.15189	4.6
314.03165	0.4
335.25931	0.6
339.17773	0.4
501.23099	6.1
519.29309	7.0
761.51044	0.4
779.45496	100.0
780.45868	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	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.92702	0.3
68.05048	0.4
69.07068	0.7
69.55150	1.5
71.08630	1.2
81.07053	0.5
86.09710	100.0
87.10062	0.5
91.05457	0.4
93.07047	0.3
98.09683	1.6
103.05456	1.3
105.07040	1.5
112.11249	7.8
114.09179	0.3
120.08110	44.2
121.08459	0.7
132.08084	0.5
146.09654	2.5
154.15913	19.4
155.16238	0.5
157.13368	11.1
158.93364	0.3
167.11790	0.6
182.15471	0.5
185.12868	13.6
188.14360	7.3
191.11887	0.8
199.18065	16.8
208.14531	0.3
209.16467	0.7
219.11266	1.1
225.19615	7.1
227.17549	12.8
227.19809	0.6
233.16493	16.9
234.16617	0.4
235.18184	0.4
237.15840	0.5
243.14908	0.7
253.19124	7.1
255.17038	0.4
259.18115	2.5
261.16000	15.9
262.16202	0.4
267.24323	7.6
277.22800	0.7
280.20135	0.6
287.15149	0.3
287.17603	3.5
295.23785	4.0
298.21252	8.5
301.22775	8.1
322.24820	0.5
329.22244	4.6
332.19711	5.8
340.25989	3.0
356.23352	0.6
366.27429	2.7
374.24380	5.2
383.30161	1.9
399.27481	0.3
400.26028	2.8
402.23578	0.4
408.32068	1.1
411.29718	4.4
417.28552	1.5
425.34824	0.5
442.30637	2.5
445.28134	4.9
445.77847	0.3
451.36340	0.6
453.34378	0.6
459.33075	1.4
479.35941	2.3
485.34906	0.4
487.32925	2.6
496.38388	1.3
513.34338	4.2
524.38147	4.0
527.38708	0.5
530.37219	2.2
540.35089	0.4
555.39056	2.0
556.64850	0.3
558.36487	9.1
568.34900	0.5
572.41107	0.8
586.36365	0.5
592.43866	1.2
600.40918	1.6
609.46753	0.5
626.42908	7.0
627.42639	0.4
637.45929	1.5
643.45367	5.0
653.43182	0.7
668.46613	1.1
671.44958	15.2
672.44672	1.0
685.50250	0.3
699.43805	0.4
739.51654	2.2
756.53876	5.7
757.54077	0.5
766.52008	1.6
784.53418	6.9
785.52808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05274	0.8
55.05515	9.8
57.03429	0.8
57.07084	3.0
67.05513	3.7
67.64292	0.5
69.03423	1.1
69.07070	8.9
70.06610	0.7
71.08631	1.2
71.48525	0.8
72.46151	0.6
79.05485	2.6
81.03426	1.1
81.07059	5.7
83.04985	24.0
83.08612	5.0
85.02909	4.1
85.10185	0.6
85.30280	0.5
91.05444	2.9
93.07053	6.3
95.04958	1.1
95.08604	5.4
97.02897	1.2
97.06531	1.0
97.10176	3.9
99.08072	1.3
105.07030	1.2
107.04955	0.8
107.08610	2.8
109.06528	2.1
109.10155	3.3
111.08080	2.1
111.11742	1.3
117.07019	0.9
119.08610	1.4
121.06512	14.1
121.10147	1.7
123.08071	2.3
123.11700	1.5
127.03892	1.0
127.07573	7.1
131.08598	1.1
133.10170	1.4
135.08054	6.5
135.11746	1.0
137.05952	0.5
137.09644	4.2
139.07549	34.0
144.60074	0.6
145.10143	1.0
149.09644	1.9
149.13274	1.1
151.07483	1.4
151.14861	0.7
153.09125	4.3
159.11700	1.1
161.13309	1.3
163.07545	8.1
163.11162	0.7
165.09106	2.6
167.08490	0.5
167.10678	1.4
169.08598	1.3
171.11761	0.7
177.12746	1.2
181.08604	8.9
181.12262	1.1
189.12772	0.7
191.10721	0.9
191.14336	0.9
195.10161	0.8
198.10658	0.7
199.14784	0.5
201.12659	0.5
209.11758	0.8
223.13359	0.7
237.14873	1.6
251.16371	0.9
307.22733	0.7
398.05157	0.6
427.35397	0.8
445.36758	13.9
446.37292	0.7
463.37845	100.0
464.38214	3.7
645.59045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.8
55.05516	42.1
56.05850	4.3
57.03437	24.6
57.07076	6.7
57.10909	3.4
61.02936	19.7
64.04544	2.9
64.20275	3.2
65.03928	6.9
67.05508	92.1
69.03436	19.3
69.06725	4.4
69.07069	34.7
69.12703	28.3
71.04974	12.9
73.02897	10.1
74.50972	3.6
79.05494	78.7
81.03400	20.3
81.07056	100.0
82.07362	4.7
83.04956	6.0
83.08621	24.2
85.02920	28.0
85.06536	8.9
89.05994	3.6
91.03941	12.2
91.05477	66.1
93.07044	69.9
95.04949	16.0
95.08613	75.4
97.02887	26.2
97.06522	15.0
97.10162	9.8
99.04428	7.3
99.08096	6.7
103.03906	4.0
105.04497	4.8
105.07031	64.0
107.04948	14.4
107.08603	42.9
109.02843	8.1
109.06521	34.8
109.10161	36.6
111.04450	4.3
111.08072	9.6
115.05428	5.3
117.07013	38.0
119.08589	54.6
121.06499	6.8
121.10158	27.5
123.08054	10.3
123.11738	7.0
125.09650	7.7
127.03882	9.0
128.06207	8.0
129.07004	27.3
130.07784	5.7
131.08560	37.6
133.06483	8.0
133.10132	32.2
135.08043	12.9
135.11678	14.0
137.09650	8.1
141.06979	13.7
142.07756	6.8
143.08524	33.4
145.10129	44.8
147.08073	4.3
147.11665	25.9
149.09584	7.3
149.13219	12.1
151.07521	5.1
155.08534	22.1
157.10150	32.6
159.08009	3.9
159.11708	26.6
159.60027	3.2
161.09567	8.2
161.13234	11.3
163.11151	6.8
163.14757	4.1
165.06990	4.0
166.07841	4.5
167.08630	17.3
168.09366	8.5
169.10121	32.7
170.10590	3.8
171.11644	29.3
173.13269	17.9
175.14844	3.8
177.12721	5.6
179.08542	10.6
181.10147	19.4
183.11716	24.6
185.13272	19.9
187.11136	4.7
187.14870	5.6
191.08574	6.0
193.10098	7.7
195.11731	23.3
197.13313	27.6
199.14804	15.3
201.12675	3.6
201.16364	4.2
203.14378	3.0
205.10204	3.9
206.10963	4.0
207.11667	9.1
208.12212	4.2
209.13304	19.2
211.14836	13.6
213.16533	4.2
215.18190	3.3
217.15952	4.0
220.12408	3.9
221.13222	9.5
223.14886	11.0
225.16330	6.6
227.20044	12.2
228.20338	8.7
233.13129	7.3
237.16420	5.9
239.17995	5.1
249.16339	3.9
257.18887	6.3
259.14728	3.8
259.20618	6.7
261.18561	3.3
271.20493	4.9
273.18597	18.2
275.20148	12.9
283.20624	3.8
323.23721	4.7
333.24167	4.3
335.25815	12.2
347.22604	4.2
349.24374	5.1
353.24908	5.0
447.32657	4.0
501.82956	3.5
513.35748	10.9
515.37933	12.7
521.36383	4.4
533.40009	6.9
539.37122	11.3
541.38635	10.5
551.40546	5.5
553.39063	9.4
555.40601	7.3
567.40088	6.7
589.42224	3.5
607.43457	79.1
608.43457	5.3
623.42810	4.3
625.44550	95.7
626.44922	6.3
679.45032	4.1
733.46527	5.6
751.48138	4.5
769.47906	15.3
787.50269	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.2
55.05515	34.1
56.26492	1.7
57.03437	16.9
57.07059	3.6
61.02918	9.3
65.03948	9.0
67.05508	100.0
69.03437	9.7
69.07073	22.5
71.04985	7.5
71.22676	1.9
73.02911	4.1
77.03926	2.5
79.05495	81.4
81.03394	11.6
81.07059	90.4
83.04979	8.4
83.08632	13.1
85.02882	9.4
85.06543	8.9
91.03939	5.0
91.05482	84.5
91.05933	1.3
93.07045	72.5
95.04976	25.8
95.08614	59.5
97.02881	5.5
97.06530	7.3
97.10168	6.2
99.04438	2.9
99.08116	3.7
103.05449	2.9
105.04499	5.7
105.07033	61.6
107.04977	10.2
107.08598	39.9
109.02844	3.8
109.06522	30.6
109.10159	19.9
111.04469	1.8
111.08066	7.9
113.05987	11.0
115.05428	9.4
116.06226	3.8
117.07026	46.9
119.08595	41.2
121.06532	7.2
121.10144	29.7
123.04400	2.3
123.08070	8.0
123.11701	7.0
125.09645	4.3
127.03929	4.2
128.06230	16.6
129.07021	28.7
130.07811	3.9
131.08572	63.1
133.06503	11.4
133.10138	29.0
135.08081	11.6
135.11688	16.1
137.09682	3.5
139.11156	2.3
141.06993	9.3
142.07777	6.5
143.08562	46.8
145.06482	3.2
145.10132	73.8
147.08052	12.2
147.11700	13.3
149.09602	11.3
149.13248	8.2
151.07561	2.8
155.08571	6.2
157.10144	22.3
159.08049	6.0
159.11716	17.4
161.09657	15.5
161.13266	8.1
163.07619	1.9
163.11186	8.4
163.14758	2.4
165.06982	1.8
167.08562	5.1
169.10153	12.8
171.11708	22.2
173.09624	4.0
173.13310	7.2
175.11162	9.7
175.14845	2.9
177.12798	5.6
181.10112	8.5
183.11690	8.5
185.09720	2.3
185.13300	8.4
187.11157	3.6
187.14828	2.3
195.11720	10.7
197.13223	4.1
199.11281	2.4
199.14859	4.2
201.12775	2.3
209.13347	2.8
213.12852	2.4
215.14330	3.0
217.15933	6.2
227.17906	8.1
237.16360	15.0
245.18967	8.0
252.08786	1.9
255.17485	20.4
261.22107	6.5
273.18497	82.1
274.18912	3.4
291.19525	30.3
329.21054	4.3
335.25818	98.1
336.26218	4.7
339.22919	1.9
347.22174	32.0
347.26199	3.5
348.22638	1.9
365.23163	6.2
378.62601	1.7
381.58240	1.8
447.67401	1.9
541.00787	1.9
607.35577	2.7
607.43713	28.9
625.44489	7.8
787.49371	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.0
55.05513	46.8
57.03433	14.9
57.07085	3.3
61.02925	7.0
62.38539	2.5
65.03943	6.2
67.05507	81.1
69.03434	9.3
69.07074	27.3
71.04988	7.3
71.49795	3.9
73.02930	3.6
79.05494	70.9
81.03409	8.0
81.07059	95.9
83.04984	7.9
83.08629	15.2
85.02924	8.8
85.06555	2.9
85.50652	2.7
91.05485	96.9
93.07044	75.7
95.04974	15.7
95.07984	3.9
95.08604	66.3
97.02878	7.3
97.06535	10.0
97.10175	11.7
103.05466	4.7
105.04573	3.3
105.06319	4.5
105.07031	78.7
107.04942	8.5
107.08597	34.4
109.06509	15.6
109.10150	16.7
111.04401	2.6
111.08076	9.6
115.05466	9.2
115.39188	2.6
116.06219	7.3
117.07022	45.7
119.05015	2.9
119.08588	46.6
121.06515	7.6
121.10139	26.3
123.08063	14.5
123.11714	7.1
125.09639	8.6
127.03913	3.0
128.06236	33.6
129.07005	34.8
130.07788	13.4
131.08574	97.9
133.06511	13.7
133.10129	31.1
135.08061	7.2
135.11691	12.3
137.09610	5.5
141.06992	13.6
142.07811	9.2
143.08562	98.4
144.09161	3.8
145.06496	5.7
145.10127	100.0
147.08028	12.5
147.11703	14.5
149.09587	8.4
149.13301	6.1
151.07469	2.5
153.06992	2.9
155.08586	13.6
157.10139	29.8
159.08046	6.2
159.11679	23.0
161.09618	14.4
161.13298	4.3
163.11171	7.4
163.14954	2.4
165.06926	5.1
166.07843	3.6
167.08543	5.4
169.10107	18.3
171.11670	19.0
173.09654	5.5
173.13304	6.0
175.11185	9.5
177.12714	6.8
181.10135	13.7
183.11668	14.8
185.13243	7.1
195.11673	18.8
196.23772	2.7
197.13260	3.4
201.12738	4.6
209.13309	5.2
211.14651	3.4
213.12756	6.6
213.16389	4.0
227.17949	6.2
237.16406	23.8
245.18988	4.9
255.17427	24.0
261.22266	3.9
273.18494	83.6
291.19577	10.2
329.21152	8.2
335.25787	89.1
336.26071	5.3
347.22156	46.2
362.47037	3.0
391.06613	2.6
398.37753	2.6
435.23691	3.4
607.43451	47.5
625.44135	8.8
745.80029	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	788.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05513	2.4
56.01676	0.5
56.05016	0.4
60.63407	0.4
67.05516	0.5
69.03422	2.1
69.07075	4.7
70.06599	3.4
71.48711	0.7
72.08147	1.9
77.03932	0.5
78.21955	0.4
79.05508	2.2
81.03432	0.9
81.07050	0.7
82.06556	0.4
83.04986	1.7
84.04510	0.7
84.08145	1.6
85.02914	3.1
86.06071	12.8
86.09703	1.6
91.05506	0.7
93.07066	0.7
95.04967	1.1
96.08151	3.3
97.02910	1.4
97.06521	0.9
98.06054	0.8
98.09698	3.0
99.04427	0.9
101.06025	1.8
105.04521	0.6
107.04961	100.0
108.05294	1.5
108.08139	1.1
109.02886	0.8
109.06451	0.4
110.06062	0.8
111.04451	2.4
114.09162	0.7
115.07564	1.8
116.10734	18.9
120.08115	1.1
121.06486	2.1
124.07613	1.2
124.36073	0.4
126.09171	0.8
127.03917	1.1
129.05475	0.9
129.10258	0.5
136.11258	0.5
141.09094	0.4
142.08638	8.9
149.03200	0.4
154.08665	5.2
155.06999	1.0
164.10704	1.2
169.09775	0.7
169.12199	0.9
172.09691	7.8
172.11063	0.7
173.08122	1.1
177.05527	0.7
182.15450	1.2
190.12253	1.2
194.15433	0.6
198.14961	0.6
208.13419	1.8
212.16472	25.5
226.14374	7.6
230.17526	9.8
238.26588	0.4
241.04735	0.4
244.15456	34.6
245.15883	0.5
246.59065	0.5
253.44426	0.4
278.15961	1.0
287.05450	0.6
291.10440	0.4
340.21237	12.2
341.21707	0.5
358.22287	7.8
374.21841	5.5
392.22903	5.0
406.20743	6.2
502.26425	2.6
512.24939	3.0
520.27667	3.9
542.59583	0.4
608.30530	0.5
626.93481	0.5
674.30005	0.7
770.35596	0.9
788.36920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05513	2.4
56.01676	0.5
56.05016	0.4
60.63407	0.4
67.05516	0.5
69.03422	2.1
69.07075	4.7
70.06599	3.4
71.48711	0.7
72.08147	1.9
77.03932	0.5
78.21955	0.4
79.05508	2.2
81.03432	0.9
81.07050	0.7
82.06556	0.4
83.04986	1.7
84.04510	0.7
84.08145	1.6
85.02914	3.1
86.06071	12.8
86.09703	1.6
91.05506	0.7
93.07066	0.7
95.04967	1.1
96.08151	3.3
97.02910	1.4
97.06521	0.9
98.06054	0.8
98.09698	3.0
99.04427	0.9
101.06025	1.8
105.04521	0.6
107.04961	100.0
108.05294	1.5
108.08139	1.1
109.02886	0.8
109.06451	0.4
110.06062	0.8
111.04451	2.4
114.09162	0.7
115.07564	1.8
116.10734	18.9
120.08115	1.1
121.06486	2.1
124.07613	1.2
124.36073	0.4
126.09171	0.8
127.03917	1.1
129.05475	0.9
129.10258	0.5
136.11258	0.5
141.09094	0.4
142.08638	8.9
149.03200	0.4
154.08665	5.2
155.06999	1.0
164.10704	1.2
169.09775	0.7
169.12199	0.9
172.09691	7.8
172.11063	0.7
173.08122	1.1
177.05527	0.7
182.15450	1.2
190.12253	1.2
194.15433	0.6
198.14961	0.6
208.13419	1.8
212.16472	25.5
226.14374	7.6
230.17526	9.8
238.26588	0.4
241.04735	0.4
244.15456	34.6
245.15883	0.5
246.59065	0.5
253.44426	0.4
278.15961	1.0
287.05450	0.6
291.10440	0.4
340.21237	12.2
341.21707	0.5
358.22287	7.8
374.21841	5.5
392.22903	5.0
406.20743	6.2
502.26425	2.6
512.24939	3.0
520.27667	3.9
542.59583	0.4
608.30530	0.5
626.93481	0.5
674.30005	0.7
770.35596	0.9
788.36920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.208
Annotation	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01860	0.2
57.03427	0.3
61.02885	0.6
65.03922	0.2
67.67864	0.1
68.99766	0.3
69.03430	1.5
70.06564	0.2
70.72663	0.4
71.04941	0.2
73.02860	0.2
78.87676	0.1
81.03408	0.9
85.02909	5.5
91.03932	0.3
91.50604	0.1
93.03377	0.3
96.36184	0.2
97.02891	1.9
99.04397	0.3
99.35368	0.2
107.04907	0.3
109.02828	0.6
111.00799	0.8
113.50146	0.1
120.08095	0.2
121.02837	1.0
124.51758	0.1
127.03925	1.2
137.01381	0.2
137.02336	2.6
137.05920	0.2
145.04955	1.1
149.02277	0.5
153.01823	2.7
161.05969	0.2
163.03857	0.7
165.01849	1.4
166.02554	0.2
173.05963	0.3
175.88853	0.1
176.79260	0.1
183.02882	0.5
183.04405	0.2
195.02771	0.2
201.05449	1.1
213.05408	0.2
215.03323	0.2
219.06583	0.3
229.02885	0.3
229.04974	3.3
247.06001	0.7
257.04443	2.7
274.04706	0.6
274.83127	0.2
275.05438	0.2
285.03970	1.4
287.05185	0.2
302.04340	0.2
303.04980	100.0
304.05307	2.2
345.06033	0.4
465.10306	23.5
466.10541	0.6
496.99326	0.2
627.15546	4.6
674.73083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	20.7
55.05516	37.1
57.03437	20.2
57.07075	4.5
59.05008	1.8
61.02934	9.9
65.03935	7.2
65.49096	1.8
65.70113	1.8
67.05509	98.4
68.96098	1.9
69.03437	15.2
69.07074	28.0
69.42470	15.0
71.04994	11.7
73.02909	7.0
79.05499	85.2
81.03414	14.4
81.07059	100.0
83.04973	8.4
83.08631	22.1
85.02915	16.8
85.06538	6.8
87.04453	2.5
91.03963	2.8
91.04910	3.2
91.05485	72.6
93.07050	93.0
95.04972	15.8
95.08611	70.5
96.90067	1.7
97.02906	13.0
97.06540	26.8
97.10171	12.0
99.04462	3.8
99.08102	4.5
103.05465	2.3
105.04539	2.9
105.07034	71.1
106.34305	1.9
107.04953	16.0
107.08595	56.3
107.09312	3.0
109.02863	6.1
109.06526	16.0
109.09484	2.3
109.10170	27.5
111.04440	4.6
111.08086	10.5
115.05457	4.8
117.07034	33.6
119.08586	50.2
121.06511	8.8
121.10146	31.7
123.04430	2.5
123.08064	7.7
123.11732	8.5
125.09634	10.0
127.03927	8.8
128.06235	6.3
129.07018	17.8
130.07782	2.1
131.08580	42.9
133.06511	4.6
133.10132	39.6
135.08043	7.7
135.11697	20.8
137.09622	6.6
139.07571	2.0
141.06979	5.9
142.07809	2.5
143.08586	18.8
145.06483	3.3
145.10141	36.7
147.08057	3.7
147.11694	24.1
149.09648	16.7
149.13263	10.4
151.11179	3.5
155.08549	6.7
156.09259	2.3
157.10138	16.5
159.11691	27.6
161.09651	5.6
161.13214	16.1
163.11156	11.8
163.14865	4.4
165.09216	2.2
165.12746	2.8
167.08577	4.2
169.10179	10.1
171.08005	2.6
171.10234	4.2
171.11705	12.7
173.09645	3.9
173.13268	16.5
175.11253	3.6
175.14787	4.3
177.12756	5.3
181.10104	3.6
183.06697	1.9
183.11676	10.7
185.13274	16.7
187.11139	3.3
187.14857	6.3
189.11217	4.8
189.12807	2.9
195.11739	3.5
197.09674	2.7
197.13275	7.4
199.14850	6.6
201.12653	2.3
201.16377	4.0
203.14125	2.0
205.12328	1.9
205.15944	5.4
209.13312	4.7
211.14793	5.5
213.16426	3.0
217.15863	3.6
219.17416	6.0
227.12778	9.9
229.14340	2.4
229.19547	3.8
231.13718	3.1
237.16287	2.8
239.17961	7.4
241.19682	2.5
243.21130	2.7
247.20634	2.2
255.17593	2.3
257.19064	17.1
259.20587	5.8
261.22171	8.3
267.15955	6.4
271.20715	2.3
275.20081	60.5
277.21671	3.9
291.19730	3.1
293.20984	6.2
317.24777	2.5
331.22601	6.0
333.24225	3.5
335.25839	76.8
336.26163	2.6
349.23795	45.0
367.24915	2.2
383.22141	2.2
416.94818	2.1
419.24173	2.4
431.31561	3.8
505.34903	4.1
513.39490	3.1
517.40460	2.0
541.37988	2.4
545.38519	3.7
555.40137	2.0
557.41711	5.1
609.45209	45.2
610.45850	1.9
627.46045	16.4
651.46094	2.9
735.47699	3.5
771.49945	3.9
789.51068	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	789.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.9
55.05514	22.6
57.03432	12.4
57.07071	2.9
58.68091	2.2
59.05008	2.2
67.05505	65.1
69.07069	18.9
71.04969	3.9
71.48785	2.4
71.49250	3.3
79.05499	49.9
81.03415	5.2
81.07059	60.6
83.04990	3.9
83.08619	9.3
85.06561	3.4
91.05479	53.8
93.07037	51.2
95.01305	2.6
95.04987	6.2
95.08609	44.4
97.06551	15.5
99.04472	3.1
105.07025	59.3
107.04943	7.2
107.08597	25.0
109.06522	5.6
109.10149	17.8
111.08060	2.7
116.65283	2.3
117.07026	15.3
119.08582	30.6
121.10134	18.2
125.62233	2.7
129.07005	4.8
131.08571	25.1
133.10117	30.0
135.08080	3.0
135.11696	8.8
143.08531	3.8
145.10077	17.0
147.11707	17.3
149.13220	4.5
151.11308	2.4
155.08641	2.6
157.10117	4.4
159.11674	10.2
161.13148	3.4
173.13251	3.9
179.14299	9.6
183.11702	2.6
203.14461	3.3
219.17429	68.9
257.18942	3.3
275.20084	62.8
335.25790	68.4
349.23734	28.3
609.45135	100.0
719.44330	3.2
801.99310	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	789.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05274	0.7
55.05514	8.2
57.03195	0.5
57.03447	4.2
57.07069	1.7
64.20121	0.4
65.03937	1.2
67.05508	19.1
68.95206	0.4
69.03432	2.7
69.07075	8.0
71.04993	1.1
71.08634	0.6
71.69662	0.4
73.97257	0.5
74.20177	0.4
79.05499	14.5
81.03430	3.7
81.07059	21.7
83.04980	4.5
83.08628	4.0
85.02895	2.0
85.06535	1.0
91.05490	14.7
91.06027	0.5
93.07047	19.0
95.04987	4.3
95.08614	14.9
97.02881	1.3
97.06551	2.6
97.10156	1.9
99.08102	0.7
103.05460	0.9
105.04540	0.5
105.07038	15.7
107.04976	5.0
107.08604	12.7
109.02854	1.2
109.06524	6.3
109.10165	6.4
111.08056	1.5
115.05447	1.0
116.07783	0.5
117.07036	5.4
119.07817	0.8
119.08603	10.7
121.06502	6.8
121.09338	0.7
121.10158	8.6
123.08070	3.1
123.11716	3.1
125.09624	1.0
127.03933	1.5
129.06993	2.1
131.08582	12.1
133.06488	2.2
133.10135	9.6
135.08060	3.1
135.11690	4.5
137.09607	1.4
137.13254	0.7
141.07010	0.6
143.08554	1.9
145.06520	1.5
145.10123	8.5
145.11180	0.8
147.08055	1.8
147.11699	8.3
149.09641	4.5
149.13248	3.2
149.62544	0.5
151.11172	2.4
155.08565	1.6
157.10123	1.9
159.08095	1.5
159.11697	4.9
161.09554	3.1
161.13245	3.1
163.11145	3.8
163.14824	0.8
165.12770	0.8
169.10107	0.9
171.11700	1.9
173.09628	1.6
173.13269	3.7
175.11186	2.2
175.14745	0.6
177.12778	1.7
179.14279	0.5
183.11702	1.9
184.07286	1.2
185.13235	1.3
187.11218	1.8
187.14891	0.9
189.12694	0.8
191.14328	1.8
197.13208	1.3
199.14888	0.8
201.12798	2.4
205.15768	0.6
205.19542	0.5
207.13867	2.4
209.13316	0.7
213.16431	0.6
215.14320	0.7
215.17909	0.9
219.13777	1.7
229.19521	1.7
231.17537	0.6
233.15486	0.7
233.19029	0.7
239.17966	2.3
247.20673	2.6
257.19043	5.9
261.22122	1.4
275.20074	47.6
276.20343	1.9
293.21097	8.1
349.23749	100.0
350.24124	4.1
367.24863	3.4
400.27576	0.5
405.26279	1.1
423.27246	1.0
582.46912	0.6
586.36542	0.5
595.61377	0.5
789.51624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.05513	19.8
57.03435	9.8
63.10905	1.8
65.03934	5.4
67.05508	72.9
69.03434	9.1
69.07073	22.9
71.04996	33.6
71.48264	3.4
73.02931	1.9
74.27215	1.9
79.05493	43.8
81.03421	12.3
81.07058	100.0
83.04981	11.0
83.08634	17.9
85.02899	5.2
85.06535	9.6
91.05479	46.1
93.07044	42.9
95.04977	5.4
95.08620	21.5
97.02898	3.7
97.06541	12.0
97.10165	5.5
99.04404	2.6
99.08070	3.2
105.07032	29.3
107.04948	8.0
107.08592	31.2
109.02884	2.4
109.06519	7.5
109.10171	14.0
111.08066	6.0
117.07030	11.0
118.06530	3.0
119.06944	1.9
119.08575	18.8
121.06491	3.0
121.09389	2.8
121.10146	15.5
123.08070	4.9
123.11714	13.2
125.09609	4.6
127.03939	2.8
128.06226	1.9
129.07019	4.4
131.08565	19.4
133.10146	28.4
135.08063	4.6
135.11714	13.7
143.08565	6.3
145.10132	9.3
147.08141	2.2
147.11705	7.4
149.09624	7.9
149.13251	10.3
151.11189	7.2
157.10156	3.5
159.11653	10.5
161.13263	4.2
162.09128	5.3
163.11191	5.1
169.10100	3.0
171.11688	2.2
173.04543	2.0
173.06046	2.0
173.13254	4.2
175.11110	2.2
177.12794	7.0
179.14317	3.6
183.11646	3.2
183.13841	3.0
187.13341	4.1
193.35796	2.0
195.13780	5.2
227.12772	6.4
230.15364	5.1
231.15767	3.9
239.18091	1.8
243.15936	4.1
257.19333	2.1
269.17361	14.1
275.20163	14.5
292.19006	17.4
293.19205	12.5
294.19690	4.2
301.20096	14.7
349.23724	11.5
422.36472	2.1
423.27350	6.7
427.26993	2.3
437.29108	18.0
449.28772	16.0
451.30643	7.8
463.30463	16.4
466.39886	2.6
481.31842	4.5
493.20184	1.9
495.33167	34.0
499.34171	3.7
517.35321	32.6
526.79651	2.3
531.36627	5.9
535.36725	2.1
543.36841	15.2
561.37469	4.0
575.39624	10.5
581.32947	3.6
593.40320	3.3
628.45813	3.6
744.36285	2.8
790.50366	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	790.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05522	25.8
57.03449	17.2
57.05922	2.4
57.07075	3.1
61.02926	3.9
65.03937	5.9
67.05510	76.9
69.03444	6.8
69.07069	18.6
71.04994	36.3
71.47963	3.1
73.06520	2.3
77.72251	2.3
79.05501	51.9
81.03417	19.1
81.07062	100.0
83.04980	9.4
83.08622	17.7
85.02920	3.8
85.06545	8.6
91.05491	69.7
93.07049	58.7
95.04993	11.7
95.08616	30.9
97.06528	7.1
97.10172	7.9
99.04480	2.7
99.08110	5.5
105.07038	52.0
107.04970	6.4
107.08601	36.3
109.06516	6.7
109.10168	14.2
111.08101	5.7
113.06010	2.3
115.05419	3.2
117.07024	22.5
119.08588	37.1
121.06521	2.7
121.10155	19.8
123.08092	4.5
123.11755	8.2
125.09662	7.8
127.03893	3.0
129.05544	2.9
129.06998	13.7
131.08589	24.6
133.10133	30.6
135.11711	11.7
137.09625	4.1
141.06961	3.8
142.07808	2.8
143.08585	12.8
145.10118	24.9
147.08084	2.6
147.11678	15.2
149.09651	6.7
149.13274	7.8
151.11185	11.0
155.08508	5.5
157.10139	13.6
159.11719	22.4
160.11981	2.7
161.13283	6.4
163.11169	6.3
167.08519	2.5
169.10168	6.5
171.11705	9.8
173.13284	8.0
175.11191	5.1
177.12746	5.7
181.10158	4.1
183.11755	5.5
185.09642	2.7
185.13310	14.1
187.13220	4.1
193.12163	5.5
193.27148	2.7
195.13966	2.4
197.13335	5.8
199.14851	2.9
203.14412	4.0
208.28233	2.4
225.14891	3.1
227.12785	5.2
229.19550	2.9
236.24133	2.4
239.18021	8.6
243.15958	7.0
257.19278	12.0
259.20547	5.6
267.15936	3.5
269.17542	6.9
275.20087	16.8
301.20026	28.0
313.21555	3.6
333.24307	2.7
341.76236	2.4
349.23785	18.3
407.29654	4.8
423.27493	3.4
427.27606	2.7
433.30664	2.7
437.29062	5.7
445.29520	3.9
449.29016	4.8
451.31848	4.8
463.30502	3.0
473.31796	2.7
495.32803	7.0
499.34274	15.1
517.35272	32.9
525.35742	14.8
531.36841	5.7
543.36816	32.6
544.37024	4.2
557.38672	4.9
561.38232	2.5
575.39545	21.4
661.39819	3.1
790.40399	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	791.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.8
55.05516	29.0
57.03442	21.7
57.07076	3.9
61.02943	3.4
65.02312	2.7
65.03926	6.0
67.05506	91.5
69.03442	14.7
69.07069	22.5
71.04979	12.4
71.08639	4.1
73.02934	3.3
77.03938	3.3
79.05494	75.3
81.03415	10.0
81.06593	6.3
81.07058	100.0
81.10270	2.9
83.05010	4.2
83.08640	14.0
85.02903	6.8
85.06526	4.3
91.05486	57.7
93.07049	83.3
95.04963	10.3
95.08609	75.0
97.02887	28.2
97.06525	8.7
97.10187	7.3
98.20780	5.4
98.51437	2.7
99.08106	4.9
105.07037	38.4
107.04962	6.1
107.08595	44.5
109.06507	5.3
109.10156	27.4
110.86294	2.7
111.08060	5.2
113.09594	4.0
117.07018	19.2
119.08585	37.8
120.36496	2.6
121.06530	3.3
121.10143	33.4
123.08118	4.8
123.11697	5.5
125.09631	5.1
128.06233	3.3
129.06996	10.2
131.08572	27.3
133.10118	24.8
135.11708	25.4
137.09630	4.8
143.08543	7.9
145.10138	26.7
147.11674	20.5
149.09561	3.5
149.13281	13.8
151.11110	3.3
157.10124	11.1
159.11713	18.6
161.13260	9.4
163.11188	3.1
163.14828	4.7
169.10208	4.1
171.11678	7.8
173.09834	3.0
173.13298	11.7
175.14844	4.7
179.14337	3.6
183.11748	5.2
185.13306	9.4
187.14812	8.2
199.14828	4.2
201.16512	3.0
205.15851	4.0
241.19572	7.7
259.20523	20.8
261.22122	5.0
277.21652	24.5
301.21783	4.4
333.24338	6.6
335.25793	68.0
351.25369	24.3
427.27570	2.8
611.46838	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05275	1.4
55.05514	17.8
57.03439	12.8
57.07069	2.0
60.96754	0.9
61.02921	3.1
65.03934	3.1
65.63400	0.8
67.05507	78.8
69.03415	1.4
69.07069	18.5
69.80242	4.7
71.04983	2.1
79.05499	52.1
81.07059	73.8
83.04961	2.3
83.08627	8.9
85.02883	2.4
85.06522	1.3
91.03971	1.2
91.05485	27.3
93.07048	56.1
95.04990	4.4
95.08612	58.4
97.02901	2.4
97.06526	3.2
97.10158	3.0
99.08113	1.3
105.04508	1.5
105.07038	23.0
107.08604	30.0
109.06496	1.0
109.10161	27.3
111.08102	1.6
117.07021	8.8
119.08583	18.6
121.10152	27.7
123.08105	1.6
123.11723	8.3
125.09599	1.4
129.07004	3.1
131.08583	13.3
133.10144	16.8
135.11696	16.2
135.59946	0.9
137.13254	3.7
143.08516	1.8
145.10136	11.7
147.11696	12.5
149.13248	9.6
157.10147	1.4
159.11699	9.9
161.13249	10.0
163.14871	5.2
171.11694	2.2
173.13274	9.2
175.14842	3.9
177.16393	2.0
185.13286	2.9
187.14819	4.8
189.16458	1.2
191.14270	1.0
199.14838	1.6
201.16344	1.6
203.18037	1.2
213.16437	1.0
233.19000	1.1
241.19533	3.9
243.21053	6.3
259.20599	7.9
261.22128	19.4
262.22644	1.0
263.23718	1.9
277.21649	1.1
291.19254	0.9
317.24731	3.6
333.24252	7.0
335.25812	100.0
336.26071	3.3
337.27368	11.6
521.43207	2.3
539.44800	1.7
595.47314	14.2
596.47314	1.4
613.48273	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.05514	20.2
57.03433	5.5
57.07070	5.8
65.03945	5.0
67.05505	100.0
69.03436	12.6
69.07072	18.4
71.04990	5.3
71.33434	3.4
72.36135	1.5
77.03934	2.3
79.05497	71.4
81.03419	10.7
81.07059	95.5
83.04995	4.3
83.08617	11.2
85.02905	9.9
85.06541	2.1
91.05482	46.1
93.07044	87.8
95.04976	7.4
95.08611	73.9
95.34747	1.3
97.02878	7.7
97.06532	5.7
97.10159	5.8
99.04463	2.8
99.08094	2.4
103.03911	1.9
105.07029	39.6
107.04954	2.9
107.08595	48.4
108.04465	1.5
108.37957	1.3
109.02891	1.9
109.06513	3.9
109.10154	40.3
111.04433	2.6
111.08082	3.6
115.05441	2.1
117.07015	21.2
119.08588	32.1
121.06480	3.0
121.10143	42.7
123.08085	3.4
123.11699	18.1
125.09657	4.0
127.03915	3.5
128.06248	2.1
129.05499	2.9
129.07010	7.8
131.08574	32.8
133.06497	1.8
133.10132	23.4
135.11688	34.1
137.09573	1.7
137.13226	8.9
139.11197	2.4
143.08606	8.9
145.10127	26.9
147.08000	2.1
147.11690	20.9
149.09534	2.8
149.13255	20.4
151.11232	2.3
151.14868	3.3
155.08604	3.1
157.06480	1.5
157.10091	4.9
159.08110	1.7
159.11685	20.2
161.09663	2.2
161.13257	17.7
163.11165	2.3
163.14809	15.1
165.12766	2.8
169.10175	4.3
171.11688	5.9
173.13277	22.2
175.11237	2.0
175.14847	4.9
177.12755	4.1
177.16388	5.6
179.14322	1.8
181.10060	1.7
183.11717	1.8
185.13245	4.6
187.14793	10.4
189.12737	2.6
191.14342	1.7
197.13313	2.5
199.14893	4.3
201.16347	2.9
209.13222	2.4
211.14911	2.2
213.64566	1.5
215.14384	2.0
215.17833	2.3
233.22615	3.7
241.19525	3.2
243.21074	31.5
244.21208	2.1
253.14317	2.6
259.20520	3.2
261.22144	91.2
262.22516	2.9
273.22162	2.2
277.14252	2.7
277.21646	4.1
279.23221	4.7
289.21747	2.5
291.23175	2.3
298.94647	1.8
301.21738	2.3
303.23334	4.7
315.23160	3.8
319.22641	1.8
327.23270	4.1
335.25790	25.5
341.24719	2.7
345.24301	2.1
351.23242	4.6
353.26871	19.7
369.24246	13.3
387.25314	8.2
405.26358	10.2
423.27469	5.4
772.04114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.0
56.59293	2.8
57.03426	10.7
65.03925	5.5
67.05507	62.6
69.07063	17.7
71.48780	2.9
79.05082	3.0
79.05499	34.6
81.06596	3.9
81.07056	61.9
83.08621	6.8
85.06534	3.1
91.05475	28.7
93.07043	44.5
95.04959	3.2
95.08608	48.1
97.02894	3.2
105.07016	15.0
107.08583	26.8
109.10172	21.4
117.06995	8.9
119.08581	15.1
121.10121	15.9
123.04977	2.7
123.11720	7.1
131.08537	10.5
133.10089	12.7
135.11658	9.4
137.13242	4.4
145.10086	7.4
147.11659	13.3
149.13203	7.0
157.10139	3.3
159.11699	11.5
161.13237	7.4
163.14813	5.0
173.13239	6.7
175.14828	5.6
208.28233	2.9
243.21117	5.8
259.20523	5.1
261.22110	16.9
308.12216	3.3
335.25793	100.0
337.27136	8.9
464.25058	3.7
541.54529	3.0
595.47003	10.5
613.47937	9.7
777.32104	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.3
57.07077	6.5
59.63089	1.1
61.02913	3.2
65.03944	4.1
67.05508	100.0
67.11578	1.1
69.03445	1.4
69.07071	33.4
69.15226	4.9
69.15661	7.5
71.04997	1.6
71.08625	2.3
79.05495	45.5
81.03395	1.3
81.07058	91.2
83.04987	1.9
83.08625	18.6
85.02913	4.3
85.06553	2.3
87.04473	2.7
89.92658	1.1
91.03922	1.2
91.05479	24.4
92.17480	1.3
93.07047	53.6
95.04980	2.3
95.08611	75.2
96.08935	1.5
97.02910	1.6
97.06533	5.3
97.10165	9.8
97.49376	1.4
99.08102	1.7
105.04518	2.4
105.07028	21.0
106.38153	1.4
107.08600	30.5
109.06535	1.7
109.10164	32.9
111.08076	3.5
111.11720	1.6
114.08671	1.4
117.07011	4.5
119.08588	18.3
121.10154	23.4
123.08120	2.0
123.11725	12.2
125.09639	1.9
131.08556	10.4
133.10104	14.5
135.11688	14.7
137.13257	4.9
139.11316	1.5
143.08655	1.2
145.10130	12.6
147.11665	13.1
149.13260	12.5
151.14804	2.8
157.10062	1.5
159.11699	7.7
161.13268	8.9
163.14796	6.7
171.11693	1.8
173.13289	7.2
175.14857	4.7
177.16386	2.1
177.80482	1.2
187.14774	3.2
205.19476	1.4
213.39156	1.4
243.21062	7.2
245.22672	3.6
259.20587	4.3
261.22159	21.1
263.23669	5.8
287.23651	1.3
317.24808	2.9
333.24155	2.5
335.25809	79.5
336.26248	3.7
337.27371	86.9
338.27835	4.0
339.28967	5.3
375.28781	1.6
523.45221	4.2
541.46423	2.1
597.40155	2.1
597.48822	27.2
598.48364	1.7
615.49835	18.4
616.50488	1.7
631.75635	1.3
689.08954	1.4
748.11871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	29.4
58.06591	1.5
60.04488	1.3
61.01150	24.2
65.49874	1.2
67.05497	1.8
70.06589	5.2
71.47729	1.6
74.02464	1.3
74.06084	14.5
79.05500	1.4
79.24678	1.2
80.62209	1.3
81.03417	1.2
84.04504	55.7
84.08154	2.0
85.02894	5.4
86.09709	37.6
87.05591	1.8
91.05510	2.0
93.07050	1.8
94.06541	2.1
95.04972	1.5
95.89813	1.1
98.06059	24.7
101.07144	2.8
102.05545	94.3
103.05466	3.3
104.05331	66.6
105.07059	1.9
107.04960	35.5
108.05282	2.3
109.10191	1.3
112.03977	2.5
112.07605	1.7
113.07101	1.3
120.08105	58.2
122.06043	5.6
124.07585	2.5
127.03933	1.6
131.04994	1.8
133.06075	10.7
137.05963	2.7
139.08612	2.1
140.07071	5.3
145.10164	1.1
146.06349	65.5
147.04422	1.5
150.05492	10.4
158.08142	2.3
167.08171	30.2
168.06598	3.2
169.13380	3.2
174.05847	50.0
178.80666	1.2
185.09227	11.9
187.14444	8.4
192.10187	1.2
195.07648	41.4
203.10226	5.8
213.08698	35.3
215.13951	3.9
231.09695	2.8
233.16536	4.2
252.17143	2.2
261.16080	6.7
263.10318	2.5
280.12961	13.9
280.16122	2.2
287.10388	2.7
303.10101	20.2
321.50119	1.3
326.17224	1.6
342.87427	1.1
358.14297	3.1
360.12167	6.5
362.20718	3.0
368.12579	1.8
376.15402	4.9
386.13806	100.0
387.13953	2.3
393.21439	3.6
404.14850	51.8
405.14682	2.0
471.22443	3.5
489.23669	2.3
494.25967	1.9
499.22229	72.5
500.22360	3.2
517.23291	18.4
623.31305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
57.07070	0.5
61.02927	6.4
67.05510	5.8
69.03431	4.4
69.07070	1.3
71.01351	0.4
71.05002	0.5
71.13454	0.9
73.02924	4.4
73.66411	0.4
79.05499	5.0
81.03439	2.3
81.07062	5.7
85.02910	6.3
87.04450	0.5
91.03949	2.9
91.05486	2.7
93.07059	5.2
95.08604	4.4
96.37196	0.4
97.02897	5.7
99.04472	1.3
101.02398	1.9
105.07040	2.1
107.08588	2.1
109.02886	0.6
109.10107	2.3
117.07050	0.5
119.08583	1.1
121.10152	2.4
127.03930	2.1
131.08559	1.2
133.10161	0.9
135.11761	1.1
145.04932	0.9
145.10109	0.6
185.04283	0.7
192.50920	0.4
202.06900	0.4
243.08482	1.8
423.89322	0.5
519.29272	12.6
520.29846	0.7
635.14014	0.5
797.51752	100.0
798.52197	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	797.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.8
69.03460	0.5
69.80708	3.1
73.67200	0.6
81.07069	0.7
95.08611	1.1
115.01845	0.7
147.90977	0.6
165.39822	0.6
220.04037	0.6
797.51740	100.0
798.52081	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	798.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
62.82692	0.6
67.05501	1.1
69.03417	1.6
70.78523	1.0
79.05486	1.6
81.03400	0.7
81.07053	1.2
85.02899	4.0
91.05483	3.8
94.04183	1.8
96.66198	0.6
97.02877	0.8
99.04427	0.6
102.95860	0.5
103.05465	1.6
105.07027	5.3
107.04936	1.1
109.06508	1.4
115.05445	2.5
117.07008	0.8
119.04948	1.1
119.08554	2.2
122.03646	4.1
122.18574	0.6
127.03969	0.7
128.06241	1.1
129.07013	2.2
131.04926	1.2
132.05702	1.2
133.06509	4.1
135.21429	0.5
137.05975	100.0
138.06316	1.3
144.05681	0.9
145.04942	1.0
145.06415	1.4
147.04485	1.2
147.08047	2.7
149.05994	0.9
149.65826	0.6
155.04912	0.9
155.06131	0.6
157.06441	1.1
159.08057	2.1
160.05165	1.9
161.05971	14.5
163.07567	1.9
171.08000	1.0
172.05191	1.1
175.07541	26.3
176.07890	0.7
179.07002	1.4
184.05235	0.8
187.07518	9.1
189.07152	0.6
189.09079	0.8
190.07814	2.0
191.08546	6.5
199.07506	5.2
202.07764	2.0
203.08482	3.4
205.08696	0.7
208.08800	1.0
217.08578	1.9
218.07254	1.7
219.08052	9.8
220.08774	1.3
231.07970	4.3
235.07555	0.8
236.08315	1.4
247.07582	4.5
248.08333	2.9
251.10660	16.7
259.07550	2.4
260.08371	1.2
261.09177	1.3
263.10672	1.7
264.07788	1.7
276.07922	1.4
277.08536	1.6
279.10165	11.3
280.10873	1.4
281.08145	1.2
291.10168	7.1
292.10834	1.9
295.09793	1.0
295.13220	0.6
296.10498	1.4
308.10452	1.0
309.10709	0.6
311.12769	45.4
312.13043	1.4
323.12778	23.9
341.13870	5.8
485.18173	0.8
503.18762	1.0
517.80792	0.7
592.24188	0.6
677.94653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	1.4
57.03444	16.5
57.07079	25.2
61.02931	63.5
67.05502	8.0
69.03430	19.9
69.07069	5.9
70.06593	9.2
71.01351	3.5
71.04976	3.4
71.08292	1.5
71.08639	17.0
71.48454	1.4
73.02573	1.6
73.02925	18.9
75.04459	1.4
79.05499	2.3
81.03416	17.4
81.07068	8.9
83.04979	2.6
83.08608	7.0
85.02910	87.9
85.10177	10.9
87.04465	3.0
91.03959	48.6
95.08612	16.1
95.34608	1.2
97.02895	63.4
97.10155	4.8
99.04448	11.5
101.02382	3.1
103.03963	8.2
104.04299	1.2
107.04951	5.5
109.02875	14.0
109.10172	5.5
111.04493	2.4
111.08070	1.3
115.03947	5.6
117.05508	2.3
123.11688	2.6
127.03925	33.4
129.05455	4.1
145.04961	25.6
145.10060	1.4
159.06500	4.4
163.06027	15.3
171.06526	1.9
183.06531	15.2
201.07608	11.7
219.08569	1.9
239.23721	15.8
257.24814	1.6
313.27371	100.0
314.27673	5.2
331.28406	2.8
341.26807	4.5
355.28391	5.8
367.28503	2.5
383.27991	3.4
385.29233	1.6
397.29388	1.9
421.29651	3.3
439.30649	7.3
457.31635	23.3
464.98782	1.4
475.32544	4.2
536.42041	1.7
755.40167	1.4
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
57.03437	1.8
61.02922	5.9
61.88393	0.4
67.05505	5.8
67.70206	0.4
69.03423	3.5
69.07077	2.4
73.02924	5.4
79.05495	2.7
81.03430	1.7
81.07051	6.1
83.04967	0.5
83.08663	0.7
85.02912	5.8
91.03956	3.4
91.05502	2.1
93.07030	3.0
95.08598	5.6
97.02882	3.7
97.10195	0.6
99.04417	0.7
101.02380	1.5
105.07030	1.0
107.08619	2.2
109.02882	0.7
109.10172	1.6
119.08567	0.8
121.10188	1.7
123.11729	0.7
127.03930	1.7
131.08594	0.7
133.10144	0.9
145.10136	0.9
151.82024	0.5
153.04323	0.5
159.11745	0.8
200.96259	0.5
217.53304	0.5
243.08412	1.6
252.84816	0.5
519.29205	4.4
521.30939	7.3
799.53278	100.0
800.53601	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	802.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92662	0.2
66.76307	0.2
67.05502	0.3
69.03436	2.7
69.07067	0.6
70.06593	0.8
71.04978	0.5
72.08167	0.2
74.06053	0.2
76.82084	0.2
77.03925	0.5
79.05498	2.7
80.96015	0.2
81.03413	0.5
81.07069	0.6
83.05007	0.4
83.25825	0.2
84.08146	0.4
85.02891	0.8
86.09698	0.2
91.05481	1.3
93.07050	0.6
95.04956	1.9
95.08571	0.2
97.02881	0.4
97.06525	0.9
99.04455	1.0
103.05495	0.4
105.04519	0.8
105.07037	8.5
105.87013	0.2
107.04958	100.0
107.08587	0.8
108.05296	1.5
109.06516	0.3
110.09656	0.2
115.05466	0.3
117.07002	1.3
119.04915	0.3
119.08604	1.0
121.06525	1.3
121.10142	0.2
123.08043	0.2
125.06023	0.6
127.03957	0.3
128.06218	0.4
129.07042	0.6
130.07820	0.5
131.04942	0.5
131.08568	1.9
131.15424	0.2
133.06491	1.9
133.10146	1.1
137.06062	0.3
141.06934	0.2
143.07021	0.2
143.08562	0.9
144.09393	0.6
145.06537	1.1
145.10129	14.5
146.10423	0.3
147.04373	0.3
147.08047	0.2
147.11691	0.4
149.06117	0.2
151.07556	0.2
154.07716	0.3
155.08556	0.7
157.10202	0.3
158.07274	1.2
159.08104	1.5
159.11691	6.1
160.94742	0.2
161.09601	1.5
163.11223	0.2
169.10181	1.3
171.08083	0.3
171.11784	0.3
172.08765	0.4
173.09630	8.6
182.07269	0.2
183.08090	0.2
185.09618	0.4
187.11179	5.7
187.12834	0.3
189.12839	0.6
191.10713	0.4
197.09625	1.7
205.12242	14.4
206.12515	0.3
215.10678	18.3
216.11124	0.2
219.43196	0.2
233.11726	16.9
234.12149	0.5
245.11942	0.2
251.12744	0.6
279.13739	0.4
293.15408	0.5
309.13376	1.5
311.16479	0.5
319.11792	2.4
321.14853	0.9
337.12839	6.2
339.15973	1.2
355.13885	4.7
357.17001	0.6
454.66534	0.2
481.17215	0.6
557.42273	0.2
577.81580	0.2
601.09900	0.2
823.28436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.3
68.59180	0.2
69.03422	0.4
69.07066	0.4
70.06589	0.5
70.63932	0.4
71.04969	0.4
76.24564	0.2
77.03929	0.5
79.05063	0.3
79.05493	2.7
81.03401	0.6
81.07053	0.3
83.04965	0.3
85.02910	0.6
85.24774	0.2
90.52386	0.2
91.05457	1.0
93.07036	1.1
95.04964	1.7
95.08634	0.3
97.02863	0.4
97.06532	0.8
99.04453	0.3
103.05509	0.3
105.04513	0.8
105.07036	3.5
107.04958	100.0
107.08601	0.8
108.05279	1.4
109.02857	0.2
117.07014	0.3
119.04906	0.2
119.08570	0.4
121.06490	2.2
125.06020	0.5
131.04919	0.4
131.08572	0.8
133.06473	1.9
133.10162	0.4
135.08092	0.5
135.11676	0.2
137.06042	0.3
141.07037	0.3
142.07765	0.2
142.99667	0.2
143.07062	0.5
143.08566	0.5
144.05667	0.2
144.09291	0.3
145.06479	1.3
145.10124	4.6
146.10484	0.2
147.04362	0.4
147.08070	0.5
147.11681	0.3
149.06010	0.2
151.07515	0.3
154.07787	0.3
155.08568	0.4
157.06577	0.3
157.10168	0.3
158.07274	0.9
159.08057	1.3
159.11682	2.0
161.09624	0.5
169.10181	0.9
171.08078	0.5
171.11745	0.2
172.08823	0.3
173.09639	7.0
174.09985	0.2
182.07317	0.3
183.08099	0.4
184.56038	0.2
185.09613	0.8
187.07576	0.2
187.11183	3.5
188.11478	0.2
191.10709	0.4
193.12257	0.2
195.08038	0.3
197.09630	2.0
200.97292	0.2
205.08658	0.5
205.12244	2.6
209.09593	0.3
211.07603	0.3
211.11163	0.3
213.09100	0.4
215.10678	6.3
216.11044	0.2
225.09221	0.6
227.10721	0.3
230.13272	0.2
233.11732	7.9
239.10530	0.4
241.08630	0.2
243.10214	0.2
245.11836	0.3
251.12590	1.2
275.14398	0.2
279.13809	0.6
293.15436	0.9
303.13672	0.3
311.16434	2.3
319.11929	0.6
321.14923	2.4
337.12808	6.0
339.15906	2.7
355.13806	3.2
357.16983	1.4
443.17026	0.3
601.21783	0.3
680.60510	0.2
729.07391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92662	0.2
66.76307	0.2
67.05502	0.3
69.03436	2.7
69.07067	0.6
70.06593	0.8
71.04978	0.5
72.08167	0.2
74.06053	0.2
76.82084	0.2
77.03925	0.5
79.05498	2.7
80.96015	0.2
81.03413	0.5
81.07069	0.6
83.05007	0.4
83.25825	0.2
84.08146	0.4
85.02891	0.8
86.09698	0.2
91.05481	1.3
93.07050	0.6
95.04956	1.9
95.08571	0.2
97.02881	0.4
97.06525	0.9
99.04455	1.0
103.05495	0.4
105.04519	0.8
105.07037	8.5
105.87013	0.2
107.04958	100.0
107.08587	0.8
108.05296	1.5
109.06516	0.3
110.09656	0.2
115.05466	0.3
117.07002	1.3
119.04915	0.3
119.08604	1.0
121.06525	1.3
121.10142	0.2
123.08043	0.2
125.06023	0.6
127.03957	0.3
128.06218	0.4
129.07042	0.6
130.07820	0.5
131.04942	0.5
131.08568	1.9
131.15424	0.2
133.06491	1.9
133.10146	1.1
137.06062	0.3
141.06934	0.2
143.07021	0.2
143.08562	0.9
144.09393	0.6
145.06537	1.1
145.10129	14.5
146.10423	0.3
147.04373	0.3
147.08047	0.2
147.11691	0.4
149.06117	0.2
151.07556	0.2
154.07716	0.3
155.08556	0.7
157.10202	0.3
158.07274	1.2
159.08104	1.5
159.11691	6.1
160.94742	0.2
161.09601	1.5
163.11223	0.2
169.10181	1.3
171.08083	0.3
171.11784	0.3
172.08765	0.4
173.09630	8.6
182.07269	0.2
183.08090	0.2
185.09618	0.4
187.11179	5.7
187.12834	0.3
189.12839	0.6
191.10713	0.4
197.09625	1.7
205.12242	14.4
206.12515	0.3
215.10678	18.3
216.11124	0.2
219.43196	0.2
233.11726	16.9
234.12149	0.5
245.11942	0.2
251.12744	0.6
279.13739	0.4
293.15408	0.5
309.13376	1.5
311.16479	0.5
319.11792	2.4
321.14853	0.9
337.12839	6.2
339.15973	1.2
355.13885	4.7
357.17001	0.6
454.66534	0.2
481.17215	0.6
557.42273	0.2
577.81580	0.2
601.09900	0.2
823.28436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37166	0.2
64.49846	0.1
66.04733	0.2
67.05498	0.2
69.03428	0.3
70.06597	0.3
70.46935	0.4
70.47295	0.1
71.05008	0.2
77.03956	0.2
78.04716	1.9
79.05501	1.2
81.03416	0.3
81.07083	0.2
85.02909	0.6
85.06567	0.1
88.07429	0.1
91.05502	0.2
93.07052	0.1
94.04179	0.3
95.04971	0.8
97.02892	0.2
100.94521	0.1
105.03391	0.2
105.04548	0.3
106.04179	1.0
107.04958	35.9
108.05298	0.6
109.02905	0.2
111.27248	0.1
114.10300	0.2
115.66689	0.1
121.02904	0.2
122.03651	0.7
122.20645	0.2
123.04432	4.6
124.05220	1.5
127.03892	0.1
134.03661	0.2
135.04454	0.2
137.05984	5.9
145.04964	0.2
151.03891	0.7
152.04681	1.3
165.05562	0.1
167.07040	100.0
168.07365	1.9
180.08696	0.2
181.06543	0.3
196.76738	0.1
213.09093	0.3
214.07047	0.2
215.87233	0.1
241.08582	0.3
273.11163	0.8
379.70517	0.2
400.31152	0.2
703.65405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.8
57.07062	2.3
64.21381	2.1
65.03928	3.9
67.05506	63.0
69.03437	2.4
69.07067	12.2
71.05000	3.7
71.31245	1.7
77.03931	2.2
79.05494	36.7
79.05924	3.3
81.03391	2.0
81.07066	38.1
81.33625	2.1
83.04985	3.4
83.08614	5.7
85.06549	12.0
89.03958	1.9
89.06042	3.0
91.05486	29.5
91.50539	1.7
93.07053	35.0
95.01351	2.0
95.04973	47.7
95.08614	22.2
97.06540	6.2
97.10175	2.3
98.21503	4.5
105.07027	18.4
107.04965	9.8
107.08595	16.5
109.06526	54.0
109.10162	8.1
111.08103	3.6
113.06005	25.4
117.07032	15.4
119.08593	14.1
121.06496	5.4
121.10165	10.1
123.08057	4.0
129.07011	7.4
131.08582	16.7
133.06505	4.6
133.08601	2.5
133.10126	10.0
135.08063	37.1
135.11681	9.9
143.08606	6.9
145.10152	12.4
147.08087	6.4
147.11700	4.2
149.09644	5.9
149.13275	3.1
157.10176	7.1
159.08099	2.9
159.11691	6.6
161.09662	7.8
162.20355	2.1
163.11237	3.4
171.11768	2.4
173.13342	2.5
175.11140	2.8
177.12733	2.1
185.13339	2.5
194.17609	2.3
199.14839	3.4
217.15829	9.6
227.17993	3.6
233.15385	2.6
235.93787	2.0
245.19040	2.2
249.79271	1.8
255.17619	3.3
261.22211	2.4
273.18478	33.0
274.19363	2.2
275.20084	2.8
291.19553	100.0
292.19711	3.1
335.25809	35.1
345.28873	1.9
347.22226	8.5
365.23334	15.5
392.30090	1.8
459.30661	2.0
541.75763	2.1
607.43384	10.4
625.34668	3.5
625.44659	50.7
626.45166	5.6
715.07477	2.1
805.54083	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
57.07056	0.6
65.03944	0.6
67.05509	11.7
68.05824	0.4
69.03426	2.4
69.07073	6.6
69.46981	1.7
71.04979	1.0
79.05495	9.8
81.03417	2.3
81.07059	14.0
83.04977	3.1
83.08629	2.5
85.02882	1.2
85.06531	0.6
91.05486	9.2
93.07050	13.4
94.07323	0.3
95.04981	2.9
95.08614	10.4
97.02879	0.9
97.06516	1.7
97.10152	1.0
99.04436	0.6
99.08110	0.3
99.63840	0.2
105.04531	0.5
105.07034	10.8
107.04973	3.2
107.08595	8.7
109.02855	0.5
109.06519	4.6
109.10162	4.2
111.08069	0.8
115.05444	0.4
116.06187	0.3
117.07026	3.8
119.08590	7.2
121.06508	5.4
121.10146	6.5
123.04455	0.3
123.08076	2.1
123.11697	1.5
125.09599	0.8
127.03917	0.6
129.06985	1.6
130.07797	0.3
131.08575	7.7
133.06458	1.5
133.09125	0.5
133.10135	9.8
135.08051	2.6
135.11700	4.1
137.09624	1.0
137.13226	0.5
139.07478	0.3
141.07057	0.6
141.34566	0.3
142.07748	0.5
143.08582	1.9
145.06482	0.9
145.10133	7.1
147.08066	1.7
147.11697	5.8
149.09637	2.6
149.13289	1.7
151.11198	2.1
153.09108	0.4
155.08517	1.0
157.10121	2.2
159.08089	1.5
159.11696	4.5
160.12184	0.3
161.09651	1.5
161.13287	2.1
163.11156	2.6
163.14841	0.6
165.12782	0.7
169.10097	1.1
171.11694	1.8
173.09576	1.5
173.13289	3.4
175.11209	1.4
175.14761	0.7
177.12720	1.6
179.14256	0.5
183.11725	1.6
185.13255	0.6
187.11182	1.1
187.14799	0.8
189.12755	0.7
191.14291	1.3
197.13249	0.8
199.14879	0.4
201.12712	1.4
201.16412	0.3
207.13837	1.4
213.16330	0.5
215.14352	0.7
215.17973	0.6
218.22832	0.3
219.13782	1.8
219.17226	0.3
229.19591	1.3
231.17404	0.3
233.15327	0.4
233.19127	0.6
239.17987	1.5
243.21234	0.4
247.20602	1.7
257.19009	4.7
261.22107	0.8
269.68912	0.3
275.20071	33.1
276.20511	0.9
293.21130	5.6
349.23740	100.0
350.24048	2.9
367.24857	2.7
369.24319	0.6
387.25421	0.4
405.26843	0.4
423.27377	1.3
753.48572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.9
57.07063	2.3
65.03923	2.8
66.21465	1.3
67.05505	48.5
69.03418	3.6
69.07076	19.0
69.57310	10.4
69.68797	1.4
71.04987	2.1
71.82327	1.7
74.90729	1.6
75.02976	1.6
79.05495	38.7
79.74100	1.4
80.05817	1.7
81.03403	6.6
81.07059	62.4
83.04984	9.4
83.08617	6.2
83.60437	1.4
85.02842	2.6
85.06537	1.5
89.03163	1.4
91.05485	40.7
93.07046	53.1
95.04941	7.6
95.08607	39.5
97.06512	6.7
97.10143	3.7
105.04546	2.0
105.07040	39.6
107.04938	10.8
107.08602	28.2
109.02890	2.5
109.06519	11.7
109.10155	16.1
111.08081	3.9
111.41174	1.4
115.05448	2.7
117.07017	13.4
119.08590	25.3
121.06525	12.5
121.10149	17.6
123.08077	6.8
123.11687	3.7
127.03920	4.0
128.06236	1.6
129.06993	4.5
131.08577	25.3
133.06580	3.1
133.10144	26.4
135.08037	5.4
135.11665	12.3
137.09647	2.6
143.08543	4.1
145.06479	2.8
145.10144	19.4
147.08043	3.5
147.11691	15.2
149.09622	5.2
149.13271	4.3
151.11188	4.1
157.10089	3.4
159.08086	3.2
159.11693	13.3
161.09674	3.5
161.13211	4.1
163.11153	6.7
163.14801	3.1
169.53033	1.8
171.11662	3.0
173.09665	2.4
173.13257	7.0
175.11192	2.8
175.14764	2.2
177.12784	2.2
179.14275	1.7
183.11693	2.8
187.11131	2.2
187.14777	3.0
201.12712	3.8
201.16248	1.8
207.13843	2.4
215.14400	2.0
215.17906	1.6
219.13940	2.3
219.17458	22.5
226.81825	1.8
229.19499	2.6
239.17892	3.4
243.21094	2.5
247.20540	3.3
257.18997	14.3
261.22141	6.0
275.20081	100.0
293.21140	11.9
317.24677	2.3
335.25818	43.0
336.26169	1.8
349.23740	79.0
350.24115	3.3
367.24805	4.6
419.24362	8.8
437.25037	1.9
609.45154	91.6
610.45374	6.3
627.46204	13.1
770.50934	2.0
806.50732	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	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.6
57.07083	2.0
61.92398	1.1
63.74741	1.1
65.03939	2.0
67.05509	37.2
69.07067	13.9
71.04972	1.3
79.05497	31.5
81.03413	3.5
81.07060	49.5
83.04999	2.7
83.08630	4.4
85.06546	1.6
85.10166	1.2
88.12265	1.1
90.57873	1.1
91.05484	29.8
91.06028	2.2
93.06483	2.2
93.07050	33.5
95.01328	1.7
95.04961	4.6
95.08610	25.0
97.06535	7.6
97.10144	2.2
103.05508	1.2
105.07031	32.5
107.04978	5.4
107.08593	15.6
109.06495	6.3
109.10161	9.3
111.08105	1.5
115.57845	1.1
117.07018	9.2
119.08589	19.9
121.06480	2.3
121.10152	9.1
121.97331	1.2
123.08070	2.3
123.11684	2.7
129.06969	2.0
131.08575	10.7
133.10143	18.4
135.08080	2.4
135.11705	6.5
137.09695	1.4
139.11206	1.2
145.10127	8.6
147.11696	7.0
149.09654	2.3
149.13307	2.7
150.74113	1.2
151.11230	1.2
153.53995	1.1
159.11716	4.6
161.13286	2.3
163.11272	1.5
169.10152	1.1
173.13329	1.9
174.49236	1.2
175.14867	1.4
177.12698	1.9
179.14308	3.0
187.14758	1.3
201.16301	1.8
203.14417	1.2
219.17464	17.3
257.19101	2.6
275.20084	33.5
293.21127	1.8
335.25827	68.5
336.26230	1.6
349.19781	2.1
349.23767	25.3
609.45172	100.0
610.45435	6.8
806.50720	6.9
807.51678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.3
57.58321	1.5
61.02915	4.0
65.03938	2.4
67.05192	2.3
67.05508	35.9
69.07068	10.7
69.96201	1.6
71.15677	2.1
71.16010	3.5
79.05497	22.4
81.07060	37.0
83.08596	4.7
85.02905	3.5
91.03916	1.7
91.05492	18.5
93.07052	28.1
95.08611	27.4
96.71896	1.7
97.02868	2.5
97.10196	2.4
105.07042	8.8
107.08610	13.6
109.06487	2.2
109.10159	11.5
117.07013	3.4
119.08575	10.5
121.10165	14.0
123.07980	1.7
123.11721	4.5
131.08559	7.1
133.10146	5.3
135.11681	11.9
145.10114	4.6
147.11693	5.0
149.13222	5.6
159.11743	3.7
160.39484	1.5
161.13239	4.1
163.14803	3.5
170.40617	1.7
173.13243	5.0
187.14838	2.7
200.08636	1.8
243.21095	3.6
250.73026	1.9
259.20584	2.2
261.22168	14.5
298.10834	1.8
304.26285	3.0
317.24741	2.6
333.24252	2.3
335.25809	100.0
336.26169	2.1
337.27213	4.5
530.87402	2.0
590.90479	1.7
595.47473	15.9
613.48035	4.9
712.77374	1.7
819.89313	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	808.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.07076	1.7
61.02919	0.2
63.72957	0.1
67.05508	0.1
68.59293	0.1
68.99788	0.2
69.03432	1.4
70.06570	0.1
70.39111	0.3
70.39499	0.2
71.05000	0.1
73.02921	0.2
74.10431	0.1
77.03925	0.5
79.05495	1.4
81.03416	1.6
81.07057	0.2
83.04976	0.2
85.02908	4.8
85.06545	7.5
86.09724	0.1
87.00832	2.2
91.05451	0.1
95.04971	1.4
97.02898	2.4
97.06557	0.1
99.04459	0.6
105.01873	3.9
105.04515	0.8
107.04958	100.0
107.27209	0.1
108.05283	1.3
109.02880	2.7
109.06503	0.3
111.04443	0.2
117.01871	0.2
121.06501	0.1
122.78828	0.1
127.03924	5.0
127.07568	0.3
129.01813	0.2
138.09183	0.1
145.04965	1.7
145.06526	0.2
145.08604	4.5
149.06001	0.3
149.71960	0.1
159.02927	0.5
161.06010	0.2
169.01227	0.1
173.09596	1.0
175.07532	0.1
189.03986	0.2
191.09148	2.8
191.10631	0.2
193.12331	0.2
203.93138	0.1
211.13332	0.3
213.03972	1.0
215.07042	0.2
231.05003	2.8
231.07288	0.2
233.08185	0.2
236.96310	0.1
249.06056	1.6
252.58630	0.1
257.13858	7.0
258.14355	0.1
281.10257	0.4
283.10944	0.1
297.09674	0.1
310.12448	0.2
315.10892	0.4
327.13443	0.2
403.12451	0.5
421.13614	0.2
461.18964	0.2
481.21588	0.2
493.21490	0.4
559.35590	0.1
646.23718	0.1
761.99701	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	18.1
57.07066	9.8
57.52567	4.9
61.63574	4.6
65.03953	6.0
67.05179	8.0
67.05506	97.9
69.07069	27.1
71.05004	7.8
79.05492	88.0
81.07055	100.0
83.08609	10.3
85.06541	5.9
91.05476	85.1
93.07041	89.2
95.04951	12.4
95.08602	66.7
97.10185	6.2
98.20639	11.8
103.05505	6.0
105.07028	92.7
107.08610	55.9
109.06497	8.0
109.10181	30.2
117.07015	29.2
119.08593	71.3
121.10150	39.6
123.11739	6.3
129.06984	13.5
131.08560	45.0
133.10135	53.0
135.11684	30.8
143.08528	11.5
145.10124	33.7
147.11673	48.9
149.13202	15.8
157.10103	16.9
159.11656	19.3
161.13278	25.7
171.11652	14.6
173.13225	23.4
175.14832	15.0
185.13222	9.5
187.14783	10.5
199.14882	7.4
201.16437	6.7
231.21054	7.7
241.19479	29.5
250.54016	5.5
257.19061	6.7
258.27100	5.4
259.20596	74.5
261.22055	9.5
333.24258	65.5
335.25818	93.0
519.41608	9.5
593.45264	8.8
611.46606	54.9
730.61182	7.1
797.21301	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	23.6
57.07072	4.9
60.19336	2.5
65.03925	5.7
67.05505	89.1
69.03425	13.4
69.07067	23.0
71.04984	8.3
71.08615	6.3
71.49518	3.1
72.20590	2.3
79.05495	82.4
81.03413	13.7
81.06599	5.4
81.07057	94.9
82.07384	2.6
83.04970	3.9
83.08599	15.2
84.98658	2.7
85.02887	11.5
85.06533	4.3
91.05478	71.9
92.05801	3.0
93.07041	100.0
93.07636	5.8
95.04956	10.4
95.08604	72.1
97.02887	6.9
97.06527	5.2
97.10140	6.9
99.04454	4.5
99.08069	4.9
102.14211	2.5
105.04538	2.7
105.07028	58.7
107.04941	4.5
107.08601	64.1
109.02872	3.6
109.06496	8.5
109.10153	31.3
111.08040	2.8
115.05423	3.1
117.06995	19.8
117.62456	3.0
119.08585	46.1
121.06460	3.3
121.10139	49.9
123.08076	5.3
123.11689	8.9
124.95469	2.7
125.09594	3.9
127.03910	10.4
128.06204	2.8
129.06985	10.1
130.07722	2.8
131.08586	30.9
133.10120	37.5
135.08061	6.4
135.11693	33.7
137.09596	4.6
137.13257	4.3
139.11182	3.2
143.08525	8.7
145.10127	30.5
147.11679	30.5
149.09654	5.2
149.13264	18.9
155.08539	3.5
157.10107	10.2
159.11673	28.1
161.13268	15.9
163.11165	4.9
163.14804	6.1
165.12706	4.9
167.08498	2.3
169.10022	2.7
171.11676	11.6
173.11861	3.7
173.13239	17.3
175.14761	10.4
179.14284	8.4
183.11636	3.0
185.13223	10.3
187.14822	14.6
193.15810	3.2
197.13240	2.7
199.14757	3.2
201.16321	5.2
205.15886	7.9
213.16435	3.3
221.19016	4.5
231.20949	3.8
241.19536	11.6
243.20872	2.6
259.20587	35.5
261.22162	12.7
275.20035	5.5
277.21625	42.7
333.24289	6.1
335.25851	13.4
336.26215	3.3
349.23901	4.2
351.21207	5.4
351.25305	89.0
351.29099	4.1
352.25470	3.6
367.22690	5.4
379.59018	2.5
403.24728	6.1
421.25851	7.4
441.17123	2.5
508.80927	2.9
521.95734	2.9
611.45557	9.3
808.52698	5.3
813.97644	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	810.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.3
69.03426	1.6
69.23124	1.5
71.05006	0.2
74.61019	0.1
77.03911	0.9
79.05492	1.5
81.03422	3.9
85.02912	0.6
95.04974	2.1
97.02901	2.2
99.04473	0.4
103.05475	25.6
104.05822	0.4
105.04506	1.0
107.04963	100.0
108.05284	1.5
109.02888	15.9
110.03184	0.2
117.96467	0.2
127.03927	2.1
131.04936	99.5
132.05264	1.5
139.03899	0.6
149.06003	0.6
169.04977	4.5
171.93561	0.2
187.06056	1.1
209.09682	0.2
213.09175	0.3
215.07104	0.2
239.07005	0.3
257.08035	0.5
272.69235	0.2
275.09280	1.3
293.10156	0.8
317.10159	0.6
335.11267	24.4
336.11682	0.8
589.94952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4995
Annotation	Pitipeptolide B
Peak:m/z	Relative Intensity
57.03441	2.6
57.07074	0.7
61.02923	4.4
67.05503	11.9
68.05034	2.3
69.03439	3.4
69.07069	2.5
69.73558	0.6
70.06597	100.0
71.05003	3.0
71.48362	0.7
71.48716	0.7
72.08159	0.7
73.02926	2.7
79.05496	10.6
81.03420	1.4
81.07060	9.9
82.06584	0.8
83.04995	2.2
83.08618	1.3
84.08150	1.2
85.02912	4.3
85.06564	0.8
86.06103	0.8
86.09738	1.2
91.03956	1.1
91.05482	5.6
93.07047	9.1
95.04978	1.5
95.08619	7.7
96.08134	3.6
97.02911	2.6
97.06534	1.5
97.10161	0.6
98.06084	1.2
99.04464	1.0
101.02364	0.7
101.65449	0.8
103.77508	0.7
105.07043	2.6
105.66291	0.7
107.04978	2.1
107.08619	3.8
109.10166	3.2
111.04446	3.1
111.08047	1.5
117.07021	1.5
119.08614	1.7
121.10143	5.5
124.28893	0.7
131.08597	2.0
132.10214	0.6
133.10159	1.0
135.11723	3.0
139.11234	0.8
140.07129	1.7
142.08661	4.5
142.64877	0.7
145.10094	3.2
149.09634	1.0
153.12755	1.0
163.11183	3.7
181.12337	2.3
191.10724	1.6
227.12865	2.2
234.18515	0.7
236.16454	5.8
254.17496	8.0
258.61536	0.7
268.19733	0.7
278.17728	1.1
296.18597	8.0
296.84995	0.7
310.20309	1.2
314.19611	13.4
328.21161	3.2
335.25906	2.7
370.22250	4.5
388.23367	15.1
388.28467	0.8
432.30179	0.7
588.42822	5.4
630.43597	6.1
648.44769	96.6
649.45123	4.9
792.49506	3.7
810.50024	58.2
811.50458	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	811.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
61.02929	5.3
67.05505	5.4
68.62895	0.9
69.03442	2.5
69.07085	1.4
69.29197	8.4
73.02917	3.6
79.05515	4.5
81.03448	2.4
81.07051	6.2
85.02921	4.8
86.89182	0.9
91.03970	3.0
91.05495	4.2
93.07063	5.6
95.08621	3.7
97.02871	4.2
98.21559	1.8
101.02390	2.3
105.07061	3.5
107.04983	1.2
107.08622	2.5
109.02901	1.2
109.10178	2.7
116.16920	0.9
117.07056	1.1
119.08617	3.2
121.10154	2.4
127.03973	2.1
132.62059	0.8
133.10133	1.9
145.10126	1.2
147.11726	1.5
243.08389	2.2
291.20270	0.9
315.19574	3.6
371.22150	1.3
519.29462	6.2
533.27417	6.4
535.92859	1.0
811.49750	100.0
812.49658	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	811.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.6
61.02927	2.8
67.05501	3.6
69.03436	2.4
69.07075	1.4
71.49325	1.7
73.02898	3.1
77.75558	0.9
79.05493	3.6
81.03432	1.5
81.07075	5.2
85.02917	2.7
85.96111	1.0
85.97289	1.1
91.03980	2.0
91.05482	2.2
93.06524	1.0
93.07047	4.4
95.08618	3.4
97.02915	2.5
101.02383	1.1
105.07038	2.7
107.04903	1.2
107.08588	2.4
109.10156	1.9
119.08580	1.5
121.06553	1.4
121.10112	1.4
131.08501	1.3
133.10139	1.5
143.08498	1.0
147.11792	1.1
243.08450	2.1
275.20218	1.1
478.37341	1.5
519.29559	3.8
533.27338	6.3
719.73303	1.1
811.49658	100.0
812.50000	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	811.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.8
71.48691	0.5
71.49148	0.5
73.10350	0.5
78.38317	0.5
79.05506	0.6
91.05489	0.6
107.04930	0.7
117.06912	0.6
132.13809	0.5
139.75229	0.6
165.19296	0.5
172.25482	0.6
213.45374	0.6
233.25389	0.5
389.23132	1.7
393.26706	0.6
463.26666	1.2
519.29279	0.9
533.26709	0.7
685.69592	0.7
716.96295	0.6
811.49670	100.0
812.49731	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	813.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24452	21.9
74.86215	2.4
92.76522	2.1
95.08643	2.9
104.55244	2.6
121.10149	2.9
203.98866	2.5
213.11931	2.2
244.32745	2.4
355.06274	2.7
359.82224	2.9
535.27777	2.4
555.66479	2.3
573.87616	2.6
813.49316	100.0
814.49396	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	813.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
57.07064	1.1
61.02924	1.5
66.38106	0.6
67.05501	3.0
69.03416	0.9
69.07074	1.0
71.08640	0.7
73.02930	1.6
78.76659	0.6
79.05485	2.5
79.16751	0.6
81.07062	2.6
81.74277	0.6
85.02921	1.2
91.03953	1.0
91.05475	1.7
93.07050	2.2
95.08613	2.8
97.02919	2.1
98.20820	1.7
105.04530	0.8
105.07053	1.5
107.08585	1.7
109.06535	0.7
109.10184	1.2
118.16547	0.7
119.54720	0.7
121.10178	1.2
131.08521	0.8
133.10115	0.7
138.48979	0.5
184.07323	0.9
211.22646	0.7
228.90399	1.0
305.54233	0.7
334.91556	0.8
373.10754	0.9
429.16357	0.7
463.26962	0.8
509.24365	0.8
519.29425	2.4
535.28973	0.9
591.31488	3.2
605.32452	1.0
661.39166	1.0
675.40515	0.9
743.43549	1.8
813.51208	100.0
814.51563	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	813.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
61.02929	5.3
61.89225	0.6
67.05505	5.0
69.03437	3.5
69.07069	1.2
71.05012	0.9
71.26939	1.0
73.02927	3.5
79.05494	5.8
81.03419	1.7
81.07063	7.2
83.08636	1.1
85.02901	5.7
91.03945	3.6
91.05489	4.4
93.07050	6.4
95.08616	3.9
97.02895	4.5
98.38795	0.6
99.04453	0.8
101.02387	2.3
105.07007	2.9
107.08612	2.4
109.10183	1.6
117.07037	1.0
119.08585	2.1
121.10158	2.8
127.03932	1.4
129.05553	0.7
131.08549	1.3
133.10158	2.0
135.11720	2.1
145.04927	0.7
145.10228	0.9
147.11707	1.3
149.13258	0.8
161.13261	0.8
164.42873	0.7
185.04301	1.4
220.04263	0.6
231.17580	0.7
235.44131	0.6
243.08511	2.8
259.20670	0.9
266.12198	0.6
301.09116	1.2
315.10529	0.7
317.20993	0.9
373.11032	0.7
385.19318	0.6
405.55505	0.7
519.29297	7.5
535.28766	8.2
591.31921	1.2
599.88477	0.6
618.75092	0.8
706.05804	0.7
764.60809	0.7
813.51208	100.0
814.51575	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	818.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.9
67.05515	32.5
68.75523	2.5
69.07063	10.1
69.83346	7.9
69.83736	6.4
79.05511	18.0
81.07063	29.7
83.08605	2.8
85.21698	2.8
91.05459	11.7
93.07044	22.7
95.08615	31.1
95.20264	2.9
98.21556	4.2
103.02420	2.7
105.07039	10.8
107.08589	12.8
109.10152	12.3
117.07050	2.9
119.08578	8.6
121.10130	12.2
123.11687	5.3
128.60097	2.9
131.08559	8.2
133.10130	9.9
135.11679	11.0
145.10121	5.4
147.11671	6.9
149.13286	6.2
152.32695	3.0
155.24590	2.9
159.11740	4.0
161.13222	4.1
163.14844	5.1
173.13307	5.2
185.13235	3.3
243.21091	6.3
259.20581	8.1
261.22116	20.5
306.48676	3.0
335.25833	100.0
335.29874	4.8
337.27368	8.6
521.42499	3.5
595.47314	13.9
613.47797	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	820.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.8
61.02925	0.1
62.69226	0.1
63.22591	0.1
67.05503	0.9
69.03436	1.3
69.07064	0.4
71.04986	0.2
71.08633	1.6
71.24100	0.2
77.03918	0.4
79.05495	1.4
81.03423	1.7
81.07056	1.0
83.01303	0.1
83.04997	0.1
83.08637	0.6
85.02916	1.1
85.10191	0.7
91.05486	0.1
93.07012	0.2
95.04971	1.4
95.08609	1.2
97.02898	3.0
97.10172	0.4
99.04471	0.4
105.04504	0.7
105.07002	0.1
107.04958	100.0
108.05287	1.0
109.02892	1.1
109.10168	0.7
119.04924	0.2
121.02862	0.2
123.04436	0.2
123.05341	0.1
123.11732	0.4
127.03917	2.2
127.41811	0.1
133.06529	0.1
137.13278	0.1
143.03349	0.1
145.04973	2.1
145.06273	0.2
147.04391	0.1
159.08142	0.2
161.06021	0.2
173.06004	0.2
187.07576	0.2
203.07086	0.3
213.09128	0.2
215.06989	0.8
233.08148	0.4
239.23708	2.1
251.09245	0.3
257.24863	0.3
293.21472	0.1
309.53104	0.1
349.23639	0.5
383.27890	1.6
401.28955	3.2
489.32129	0.4
520.55463	0.1
550.71265	0.1
841.24963	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	820.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	10.9
61.46547	7.5
67.05516	50.4
69.07069	16.6
70.44562	9.4
71.50172	8.9
71.78291	7.7
74.18606	7.1
74.75906	9.7
79.05492	40.3
81.07044	37.5
84.72009	7.9
89.49884	8.6
91.05478	20.1
93.07040	37.1
95.08587	37.3
98.21597	22.0
99.08069	10.0
104.80902	8.0
105.07046	12.7
107.08591	12.4
109.03304	8.4
109.08496	7.8
109.10127	17.4
110.68749	7.8
119.08564	11.3
121.10169	15.1
131.08545	9.3
133.10153	12.6
135.11659	18.7
145.10175	12.8
149.13235	8.3
150.51605	8.1
161.75958	8.9
173.13240	10.9
190.67149	8.6
243.21289	11.4
261.22134	16.0
335.25775	100.0
336.25967	14.7
337.26620	15.9
359.77228	9.8
397.91571	9.0
639.84448	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	821.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	1.2
57.03440	21.6
57.07076	1.5
61.02930	79.3
61.75171	1.1
65.03925	2.1
66.26069	1.0
67.05508	31.1
69.03432	29.7
69.07072	6.1
71.01350	2.1
71.04998	5.6
71.05795	1.1
71.06097	1.7
72.16097	1.0
73.02921	23.7
75.04487	2.0
77.95776	0.9
79.05495	24.1
81.03424	25.3
81.06596	1.9
81.07059	32.6
83.04967	6.1
83.08618	4.3
85.02908	100.0
85.06538	1.3
87.04460	3.8
91.03958	54.6
91.05476	15.9
93.07046	24.4
95.04964	4.0
95.08612	25.3
97.02896	77.2
97.06536	2.0
97.10181	1.9
99.04460	14.9
101.02357	4.5
103.03938	10.7
105.07026	10.3
107.04972	2.6
107.08602	13.9
109.02875	10.4
109.06516	2.4
109.10150	10.5
111.04448	3.2
111.08128	1.0
115.03923	7.2
117.05513	3.6
117.07009	6.0
119.08586	8.6
121.06551	1.0
121.10157	11.3
123.11700	4.2
125.09678	1.1
127.02979	1.8
127.03924	37.5
129.05499	4.4
129.07013	2.4
131.08578	9.0
132.24747	1.0
133.10136	8.7
135.11705	7.8
137.05936	1.4
137.13200	1.3
143.08556	2.9
145.04970	30.8
145.10114	7.4
147.11720	8.0
149.02377	2.9
149.13271	5.8
155.08566	1.7
157.10114	1.3
159.06575	2.9
159.11722	5.9
161.13245	4.8
163.06018	18.5
163.14804	2.3
165.12749	1.2
171.06529	1.6
171.11717	3.3
173.13232	5.1
175.14864	2.9
177.16449	1.6
183.06516	8.8
183.11742	1.5
185.13225	3.0
187.14848	2.3
193.04933	1.4
201.07645	6.3
201.16338	1.4
228.23323	1.2
241.19476	1.2
243.21153	5.5
259.20572	3.0
261.22147	14.4
273.22073	1.2
277.21396	1.0
279.23236	1.2
285.22070	1.2
289.21829	1.1
303.23111	2.5
315.23303	1.2
317.24857	1.6
327.23376	1.6
335.25812	54.5
341.24686	1.6
351.22961	2.3
353.26764	2.3
363.25156	2.5
369.24274	5.8
377.26843	3.5
387.25302	2.6
416.92157	1.0
431.28012	1.2
443.27652	3.8
461.28781	3.9
479.29971	13.4
481.55817	1.1
497.31146	2.1
657.65149	1.1
822.36035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.5
59.05016	1.2
61.02931	75.0
61.10245	1.0
65.03948	2.4
67.05508	28.6
69.03434	25.9
69.07071	7.3
71.01361	3.9
71.04983	4.2
71.10140	2.9
71.26757	1.2
73.02925	24.4
79.05500	18.8
81.03419	24.0
81.06594	1.8
81.07064	29.0
83.01315	1.5
83.05000	5.6
83.08636	4.3
85.02911	100.0
85.06551	1.6
87.04477	3.5
91.03963	50.7
91.05488	15.7
93.07048	25.3
95.04965	3.9
95.07995	1.4
95.08608	26.3
97.02898	80.3
97.06555	1.8
97.10167	2.3
99.04470	14.0
101.02400	4.2
103.03954	12.8
105.07031	10.8
106.43983	1.2
107.04990	1.9
107.08600	13.6
109.02887	13.4
109.06533	2.5
109.10178	10.2
111.04449	2.0
111.08086	1.8
115.03964	5.3
117.05516	2.3
117.07024	4.9
119.08597	10.2
121.06517	1.6
121.10155	12.5
123.08127	1.4
123.11700	4.9
127.03929	35.6
129.05496	5.3
129.06976	2.6
131.08562	10.2
133.06519	1.5
133.10141	7.1
135.11714	8.6
137.09621	1.4
139.03848	1.3
139.11160	1.1
143.08572	1.7
145.04973	35.5
145.10101	8.7
147.11696	5.8
149.05939	1.5
149.13258	5.1
151.14832	1.2
155.07054	1.6
155.08572	1.9
157.10152	1.3
159.06516	3.0
159.11713	5.6
161.13272	5.2
163.06035	20.8
163.07393	1.8
163.11177	2.3
163.14853	3.0
171.06567	1.5
171.11710	3.4
173.09561	1.2
173.13223	7.3
175.14891	2.7
181.84743	1.2
183.05185	1.2
183.06555	8.7
185.09575	1.2
185.13284	1.5
187.14819	2.3
191.14252	1.3
197.13231	1.3
199.14816	2.0
201.07605	6.9
212.95255	1.2
243.21120	5.0
259.20618	2.5
261.22137	16.7
285.22256	1.7
301.21524	1.3
303.23157	4.1
315.23239	1.7
329.33304	1.1
335.25830	54.1
336.26221	2.1
341.24564	2.1
351.23242	2.3
353.27258	1.4
363.25272	2.8
369.24200	4.5
377.26761	3.2
387.25339	1.7
405.26294	1.9
419.28082	1.9
443.28214	5.6
461.28842	4.3
479.30133	10.7
497.31168	3.1
657.63751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	1.6
57.03441	18.3
61.02930	72.2
65.03932	1.8
65.81854	1.3
67.05507	31.8
69.03431	31.2
69.07066	9.1
69.32357	7.2
69.32793	4.0
69.59673	1.2
70.06598	1.5
71.01360	3.5
71.04996	4.5
73.02917	21.9
75.04469	1.3
75.76775	1.3
79.05500	25.1
81.02980	2.3
81.03421	22.0
81.07059	35.3
83.01318	1.5
83.04978	4.5
83.08650	2.5
85.02910	100.0
87.04462	3.6
91.03961	49.9
91.04542	2.3
91.05479	18.2
93.05562	1.3
93.07043	23.9
95.04963	4.4
95.08617	24.3
97.02895	71.5
97.06524	2.6
97.10160	2.7
99.04448	14.7
101.02400	5.1
102.05907	1.3
103.03954	9.4
105.07040	12.8
107.04955	4.0
107.08602	11.5
107.64919	1.3
109.02894	10.9
109.06534	2.4
109.10171	14.6
111.04443	3.7
111.08087	1.8
115.03928	5.7
116.80209	1.2
117.05499	1.8
117.07033	6.3
119.08573	11.9
121.10155	12.6
123.04386	1.8
123.08089	2.3
123.11711	4.5
127.03929	37.4
128.06248	1.4
129.04604	1.2
129.05475	6.4
129.07019	3.1
131.08588	10.1
133.06418	1.6
133.10162	9.6
135.08017	1.5
135.11682	10.1
137.06021	2.1
139.11243	1.4
142.08008	1.2
143.08563	1.8
145.04970	27.2
145.10136	7.9
147.11664	8.6
149.09645	2.3
149.13269	5.1
155.08539	1.9
157.10135	4.0
159.06535	4.1
159.11697	5.3
161.13255	4.1
163.06053	16.6
163.14841	3.4
169.10146	1.6
171.11702	3.5
173.13286	6.3
175.14871	2.2
177.12767	2.1
177.16499	1.7
183.06586	8.0
183.11684	1.5
185.09589	1.7
185.13245	2.9
187.14828	3.5
199.14868	2.3
201.07594	5.7
203.14587	1.2
219.13860	1.6
243.21085	5.7
259.20551	3.1
261.22122	15.8
277.21588	1.5
285.21912	1.6
292.98123	1.4
303.23245	2.7
315.23160	2.7
327.23151	3.3
335.25790	59.4
336.26248	1.4
345.24213	1.4
351.23114	2.0
363.25177	1.5
369.24136	6.0
377.26782	2.7
387.25351	2.6
389.26938	1.4
405.26581	2.5
433.99545	1.7
443.28043	6.1
461.28836	5.3
467.56155	1.3
479.30017	11.7
497.31042	3.4
551.03333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	12.0
57.07072	2.9
61.02919	1.5
65.03934	3.9
67.05507	90.5
69.03426	5.7
69.07067	24.7
69.47181	11.7
71.04984	5.9
74.18581	1.8
77.03912	1.4
79.05493	68.5
81.03410	10.3
81.07057	100.0
83.04977	20.1
83.08611	10.0
85.02904	2.5
85.06532	6.5
90.22404	1.4
91.05485	70.4
93.07044	70.5
93.07637	2.9
95.04971	13.8
95.08608	55.5
97.02905	2.2
97.06538	7.0
97.10176	3.5
98.20818	3.0
99.04453	3.1
99.08092	1.9
103.05454	1.7
105.04561	1.6
105.07033	62.7
107.04948	12.0
107.08588	47.6
108.61448	1.6
109.06516	10.5
109.10157	55.0
111.04478	1.9
111.08060	4.9
113.06019	2.6
115.05522	2.1
117.07016	13.8
119.08570	22.5
121.06503	8.9
121.10138	24.4
123.04398	1.9
123.08036	7.7
123.11695	12.2
125.09639	2.5
127.03860	2.1
127.07552	2.2
128.06209	3.8
129.07021	6.2
131.08569	18.2
133.06476	8.6
133.10130	65.0
135.08066	9.3
135.11702	16.3
137.05945	1.6
137.09612	4.7
137.13210	1.5
139.11197	1.7
140.11586	1.4
141.07054	1.6
143.08556	7.5
144.48265	1.5
145.06444	2.3
145.10126	14.8
147.08026	5.6
147.11678	9.3
149.09599	8.6
149.13271	5.5
151.11179	36.0
155.08577	1.9
157.10104	5.9
159.08052	3.3
159.11708	8.4
161.09630	10.6
161.13225	7.0
163.11238	3.1
163.14792	3.6
165.09142	2.1
169.10080	2.3
169.12263	7.2
171.11671	4.8
173.13287	6.3
175.11203	3.7
175.14755	1.8
177.09111	2.9
177.12753	2.7
179.10718	2.5
185.13347	2.4
187.11133	1.9
187.14735	2.2
189.12730	3.0
189.16444	1.5
197.11723	1.6
205.12117	1.5
215.12766	6.1
223.13194	1.9
227.17944	2.6
241.19476	1.6
243.21016	2.4
245.19102	7.0
251.12866	3.4
253.14360	94.6
255.17465	3.9
259.20679	1.8
261.22095	10.7
263.20029	4.0
271.15375	5.3
273.18488	34.6
275.19876	2.1
291.19519	35.6
309.20590	4.8
335.25812	65.9
347.22134	14.9
365.23221	60.7
366.23480	2.2
457.32983	2.2
513.35626	5.3
529.35175	3.5
531.36938	12.3
607.43365	8.6
625.34570	3.2
625.44635	64.1
626.44855	4.4
810.55042	1.6
823.51282	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.8
64.55491	1.9
65.03935	5.3
67.05507	99.8
69.03423	9.3
69.07073	33.4
69.80183	9.1
71.05001	8.5
73.09659	1.4
77.03912	2.1
79.05012	2.4
79.05491	74.4
81.03428	9.5
81.07056	100.0
81.56300	1.5
83.04987	9.7
83.08617	13.4
85.02928	7.9
85.06528	5.3
91.04910	3.1
91.05482	55.3
93.07047	91.2
95.04960	10.8
95.08612	57.5
97.02896	3.3
97.06536	13.5
97.10166	3.6
98.21511	1.8
99.04518	1.8
99.08100	4.1
103.05514	1.6
105.04513	2.3
105.07034	38.9
107.04961	7.4
107.08592	43.6
109.06498	7.7
109.10155	24.3
111.08077	6.5
111.08799	1.5
113.09634	2.0
117.07025	17.9
119.08588	32.4
121.06516	4.3
121.10138	29.4
123.08060	6.5
123.11715	9.0
125.09636	4.8
127.03914	3.2
128.06255	1.5
129.05453	2.9
129.07002	6.8
131.08566	26.9
131.62688	1.4
133.06425	1.8
133.10121	27.0
135.08054	4.2
135.11700	24.5
137.09641	2.5
141.06984	2.1
143.08514	5.2
144.09177	1.8
145.06448	1.8
145.10121	16.5
147.11705	14.7
149.09613	8.3
149.13260	14.3
151.11159	1.9
155.08536	2.4
157.10112	5.7
159.11716	17.6
161.13214	6.4
163.11186	5.2
163.14786	3.5
165.12778	2.9
169.10149	3.1
171.11679	3.1
173.04436	2.5
173.13229	9.7
175.14835	2.8
177.12779	3.9
183.11778	3.0
185.13234	3.2
187.14876	2.9
195.13792	5.7
197.13213	2.2
199.14806	3.0
229.14240	2.0
229.19518	2.0
239.18001	3.5
243.21146	3.0
247.20604	2.3
253.14227	2.4
255.15916	10.4
257.19006	3.9
261.22040	11.1
267.15854	2.2
269.17499	28.2
275.20062	22.8
277.21585	2.2
285.21805	1.6
291.19495	3.2
293.20892	2.4
317.24646	2.4
327.22983	1.8
335.25815	78.9
336.26108	3.0
349.23776	18.0
367.24768	4.7
440.28592	1.6
443.03964	1.8
515.37457	12.0
529.38879	55.4
530.38794	2.8
569.41888	6.7
609.45166	18.9
627.45837	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
65.03929	5.8
67.05507	86.5
69.03426	7.1
69.07076	25.3
69.82502	7.6
69.82903	4.3
71.04970	6.1
71.90538	2.2
79.05495	73.3
81.03416	5.9
81.07059	87.2
83.04961	8.4
83.08626	13.3
85.02888	2.6
85.06540	4.1
87.88348	2.1
91.05479	65.4
93.07045	73.9
95.04961	12.6
95.08616	56.4
97.02869	3.3
97.06538	10.9
97.10165	8.0
99.08053	5.0
105.07036	61.3
107.04955	6.0
107.08585	43.3
109.06488	6.9
109.10155	21.0
111.08054	6.6
113.09720	2.3
115.05462	4.3
117.07016	29.7
117.10285	2.2
119.08582	50.9
121.06522	3.4
121.10150	28.3
123.08031	4.6
123.11691	7.9
125.09612	6.6
127.03925	3.8
128.06229	4.7
129.07039	11.1
130.07837	2.5
131.08583	34.4
133.10129	31.7
135.08043	5.2
135.11705	19.3
141.06969	4.9
143.08580	17.5
145.10121	36.5
147.11705	17.4
149.09610	10.0
149.13251	7.6
151.11125	2.4
153.22607	2.0
154.07664	2.5
155.08530	6.4
157.10115	13.6
159.11703	33.8
161.09595	5.0
161.13252	9.5
163.11156	7.3
163.14803	3.2
169.10133	5.7
171.11671	12.2
173.11977	2.2
173.13322	13.8
175.14841	6.3
177.12721	3.3
183.11687	8.5
185.13272	18.6
187.11160	2.2
187.14787	6.3
189.11263	3.2
189.12773	3.2
197.13309	5.6
199.14876	3.4
201.16371	4.0
203.14319	7.8
207.07034	2.3
211.14949	4.1
213.16444	2.6
215.18066	2.6
219.17424	6.2
225.16353	3.1
227.12816	5.1
229.19493	4.4
239.18018	14.0
255.15883	3.0
257.19022	26.5
259.20572	4.8
261.22171	8.3
269.17496	9.9
275.17328	1.6
275.20044	38.8
275.22815	3.3
331.22595	11.1
333.24155	4.7
335.25818	100.0
336.26163	3.6
339.17850	2.3
349.23734	45.2
392.81827	2.2
403.36963	2.2
437.25189	2.6
515.37677	3.7
529.38715	6.5
555.40369	4.7
609.45142	58.0
610.44788	3.2
614.87006	2.3
627.45697	7.0
642.60718	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85154	6.7
67.05524	62.8
69.07067	17.8
69.71452	7.4
70.06602	12.0
71.49193	15.3
79.05494	60.3
81.07066	71.7
83.08624	10.5
91.05488	63.6
93.07063	52.7
95.04986	12.8
95.08620	44.5
97.06581	7.8
97.10187	12.0
105.07044	74.6
107.08614	35.4
109.10155	20.2
112.12454	6.4
114.65240	6.4
115.54956	6.3
117.07030	20.0
118.92124	7.2
119.08599	46.9
121.10164	23.9
123.11716	6.6
129.07013	20.3
131.08569	38.4
133.10150	26.4
135.08043	7.1
135.11693	11.0
135.92870	7.8
136.07565	6.5
142.07776	7.1
143.08539	18.6
145.10117	34.5
147.11687	23.1
155.08563	16.5
157.10135	26.6
158.56552	8.3
159.11697	25.9
167.08644	9.0
169.10129	15.8
171.11699	10.1
183.11665	12.7
185.13228	15.1
195.11728	11.2
209.13206	12.3
333.24179	9.1
497.38034	8.5
517.40314	10.8
518.40991	7.0
591.44061	11.8
609.45081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.6
65.03931	1.1
67.05510	16.8
68.05037	0.9
69.03433	36.2
69.07075	6.9
70.02956	1.2
70.06590	3.7
71.04598	0.8
71.04997	2.7
71.49062	1.1
79.05502	8.4
80.04996	1.3
81.03430	2.0
81.07063	11.1
82.06585	2.9
83.05000	1.0
83.08627	2.3
84.04507	3.2
84.08148	19.8
85.02900	2.0
86.06073	4.5
87.04474	13.3
88.03996	3.1
91.05474	6.8
92.04987	0.9
93.07047	9.8
94.06575	3.7
95.04994	1.7
95.08616	7.6
95.43044	0.9
96.04517	0.8
97.02917	1.6
98.06044	3.1
102.05550	5.6
105.07035	3.3
107.04990	1.7
107.08595	3.9
109.06494	1.3
109.10176	6.7
110.06014	1.5
112.07611	95.8
113.07921	1.2
115.05541	0.9
117.07037	1.0
119.08585	3.0
121.10159	2.4
123.04413	1.2
131.08583	2.4
133.10150	2.0
135.11694	1.8
138.09123	1.1
140.07072	100.0
145.10143	1.3
147.08041	0.9
147.11722	1.5
149.09619	1.6
157.10193	1.0
158.08127	12.5
161.13358	0.9
163.11226	2.2
164.07076	1.3
173.11842	1.7
174.07617	1.1
191.10706	1.1
229.14325	4.2
248.16545	1.1
266.17551	0.9
267.16089	1.3
294.16977	2.2
302.12436	2.0
312.17975	1.6
335.25766	7.4
368.20944	1.5
386.21738	1.7
404.22607	1.4
420.44144	1.3
489.35565	1.8
587.81995	1.1
595.39539	1.1
625.59045	0.9
628.41437	1.2
646.32617	1.1
646.43170	16.8
647.43622	1.4
664.44208	21.8
665.43958	1.2
826.49792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.0
67.05519	14.2
69.03437	9.6
69.07073	4.1
69.15730	2.9
69.16154	7.1
70.02973	1.1
70.06590	8.7
71.01355	1.5
71.05000	100.0
73.02924	3.4
79.05495	15.3
81.03433	3.3
81.07059	13.9
83.04988	1.9
83.08632	3.0
84.08152	7.2
85.02921	5.0
86.06074	5.7
86.09740	1.6
88.04010	3.6
91.03973	2.6
91.05488	9.8
93.07047	10.2
94.06566	1.0
95.04990	1.5
95.08628	7.4
96.08144	9.8
97.02903	6.1
97.10182	6.2
98.06075	5.4
105.07041	3.5
106.06566	1.7
107.04982	2.6
107.08621	5.8
109.06517	1.3
109.10187	2.8
111.08101	1.8
112.07635	7.1
114.05602	1.5
115.66132	0.9
117.07035	2.2
119.08617	3.3
121.10185	4.3
122.06086	1.0
123.08079	0.9
123.75166	0.9
124.07582	5.7
125.09637	4.8
127.03951	1.3
131.08609	2.4
133.10204	1.1
135.08098	2.0
135.11728	2.4
137.06026	1.9
140.07085	2.2
141.07933	1.1
142.08664	7.7
142.94662	0.9
153.09105	1.3
158.08133	11.7
170.08197	4.0
189.11295	2.4
198.06725	1.0
207.03906	0.9
227.12866	3.3
248.16476	1.0
304.63184	1.0
335.25870	7.4
453.74612	0.9
538.75549	1.1
612.93903	1.0
664.43976	2.4
693.01904	1.0
826.49561	89.4
827.50232	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	826.4947
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02934	7.0
67.05519	14.2
69.03437	9.6
69.07073	4.1
69.15730	2.9
69.16154	7.1
70.02973	1.1
70.06590	8.7
71.01355	1.5
71.05000	100.0
73.02924	3.4
79.05495	15.3
81.03433	3.3
81.07059	13.9
83.04988	1.9
83.08632	3.0
84.08152	7.2
85.02921	5.0
86.06074	5.7
86.09740	1.6
88.04010	3.6
91.03973	2.6
91.05488	9.8
93.07047	10.2
94.06566	1.0
95.04990	1.5
95.08628	7.4
96.08144	9.8
97.02903	6.1
97.10182	6.2
98.06075	5.4
105.07041	3.5
106.06566	1.7
107.04982	2.6
107.08621	5.8
109.06517	1.3
109.10187	2.8
111.08101	1.8
112.07635	7.1
114.05602	1.5
115.66132	0.9
117.07035	2.2
119.08617	3.3
121.10185	4.3
122.06086	1.0
123.08079	0.9
123.75166	0.9
124.07582	5.7
125.09637	4.8
127.03951	1.3
131.08609	2.4
133.10204	1.1
135.08098	2.0
135.11728	2.4
137.06026	1.9
140.07085	2.2
141.07933	1.1
142.08664	7.7
142.94662	0.9
153.09105	1.3
158.08133	11.7
170.08197	4.0
189.11295	2.4
198.06725	1.0
207.03906	0.9
227.12866	3.3
248.16476	1.0
304.63184	1.0
335.25870	7.4
453.74612	0.9
538.75549	1.1
612.93903	1.0
664.43976	2.4
693.01904	1.0
826.49561	89.4
827.50232	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	3.2
59.72312	0.6
61.02647	1.0
61.02934	11.5
65.03946	1.6
67.05508	64.7
69.03414	1.9
69.07075	5.5
69.84063	3.6
71.04987	2.9
71.08639	18.3
73.02929	3.4
75.22561	0.6
79.05478	1.1
81.03420	1.0
81.07060	16.3
83.08624	11.1
85.02908	14.3
85.06537	2.5
85.10190	9.5
89.06039	1.0
91.03961	5.9
91.05476	3.9
93.07047	2.5
95.08613	16.2
97.02892	6.9
97.10191	3.2
107.08594	1.5
109.10165	70.4
111.08076	2.1
119.08593	3.5
123.11677	2.5
127.03941	3.0
137.09634	2.6
145.04970	2.7
155.10686	7.1
163.06111	3.1
173.11757	15.3
177.22981	0.7
198.19315	0.7
229.14366	100.0
230.14812	1.0
239.23819	1.0
257.24799	1.1
313.27377	76.8
314.27789	2.2
373.18527	0.7
467.37369	65.4
468.37573	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	826.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78733	2.8
61.02922	6.3
63.63895	1.6
65.03953	5.2
65.88956	2.1
67.05509	100.0
69.03416	7.2
69.07071	37.8
69.20859	6.4
69.21280	11.4
71.04987	6.9
71.08632	8.0
77.71952	1.7
78.61246	1.7
79.05495	63.4
81.03416	8.3
81.07059	100.0
83.04993	9.0
83.08620	22.5
85.02897	7.8
85.06550	5.6
91.05488	61.2
93.07049	66.8
93.07645	2.8
95.04991	9.6
95.08611	73.8
96.08946	2.2
97.02894	5.0
97.06509	8.7
97.10163	10.8
99.04462	2.3
99.08089	7.8
105.04516	2.6
105.07035	46.9
107.04942	4.9
107.08608	37.4
109.02861	3.7
109.06518	10.0
109.10165	32.4
111.08092	5.6
113.09615	2.2
115.05474	2.7
117.07023	27.9
119.08587	41.0
120.08946	2.3
121.06507	4.1
121.10151	21.8
123.08084	5.3
123.11710	6.7
125.09637	3.8
127.03922	3.5
128.06154	3.9
129.05490	2.8
129.06989	12.2
131.08577	30.7
133.10146	26.5
135.08080	4.6
135.11699	16.6
135.90269	1.7
135.94333	1.9
141.06955	3.4
142.52039	1.9
143.08585	13.3
145.10132	26.1
147.08057	2.4
147.11679	20.1
149.09633	7.5
149.13272	13.8
151.11176	6.7
155.08537	6.2
157.10098	12.9
159.11711	25.4
161.09688	3.5
161.13289	10.7
163.11171	7.4
163.14870	3.6
165.12761	4.3
169.10136	7.8
171.11673	8.8
173.13280	10.0
175.11041	2.2
175.14864	6.2
177.12636	2.3
183.11723	6.7
185.13272	18.8
187.14787	5.4
189.11238	2.3
189.12787	2.3
189.16467	2.3
195.13760	4.4
197.13260	2.5
201.16429	3.1
203.14330	9.1
203.18002	1.8
211.14957	3.8
213.16367	3.0
219.17477	4.7
227.12798	4.0
229.14349	4.1
229.19579	2.6
231.65607	2.1
239.17995	8.6
253.14290	1.9
255.15620	2.4
257.19009	25.3
259.20493	3.8
261.22241	4.6
269.17456	23.2
275.20074	28.1
276.20529	1.8
277.21536	5.6
293.21155	7.8
294.21475	3.2
295.21704	2.4
331.22781	5.7
333.24643	2.6
335.25812	27.3
335.29544	3.5
336.26266	3.3
337.27365	60.9
338.27649	3.9
349.23810	33.7
350.23865	3.2
351.25198	8.3
367.24738	4.1
377.13391	2.1
419.24460	2.4
425.06873	2.2
489.35657	2.6
505.76367	1.8
529.38727	27.6
557.42181	2.5
571.42969	2.0
611.46765	51.2
612.46332	3.1
629.47003	6.5
715.59625	2.0
730.00110	2.1
827.48975	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.4
67.05516	7.5
69.03431	2.2
69.07079	0.9
71.04981	0.8
71.10107	1.6
73.02903	3.4
79.05511	4.7
81.03424	1.5
81.07053	6.5
83.08616	1.0
85.02911	6.2
85.06532	0.8
91.03971	2.9
91.05498	3.4
93.07047	4.8
95.04972	2.0
95.08614	4.0
97.02883	3.9
99.04496	0.8
101.02340	1.0
105.07029	2.0
107.05016	0.9
107.08592	3.2
109.02881	0.9
109.06487	1.0
109.10182	1.6
113.06004	1.6
119.08575	1.2
121.10154	1.9
127.03962	1.6
131.08551	1.0
133.10120	1.4
159.11545	0.9
185.04341	0.8
234.94489	0.7
243.08496	2.9
331.18787	5.6
387.21317	1.1
402.97705	0.7
519.29358	7.3
549.27081	3.6
827.49152	100.0
828.49493	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	827.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38881	1.6
61.02938	8.5
63.50333	2.0
67.05508	14.5
69.03430	6.8
69.07072	5.9
69.57428	5.1
69.57856	7.2
73.02919	6.8
76.22321	1.7
79.05499	11.6
81.03416	3.8
81.07071	15.1
83.05011	2.1
83.08637	2.2
85.02913	4.9
86.17041	1.9
91.03960	2.8
91.05505	6.9
93.07065	8.1
95.04967	2.0
95.08605	11.2
97.02895	4.6
97.06556	2.1
105.07046	6.0
107.08590	4.6
109.10168	3.0
117.07066	2.0
119.08628	5.6
121.10182	4.1
122.98956	1.9
127.03952	2.2
131.08612	2.7
133.10184	4.4
143.53337	1.9
145.10155	2.1
147.11723	2.4
209.70924	1.8
243.08464	3.9
275.20016	2.1
296.00708	1.7
313.17935	2.5
330.28311	1.8
331.19016	4.5
337.27353	2.6
338.27850	3.6
350.24130	2.4
519.29120	9.6
532.41223	2.3
549.26581	2.4
598.56128	1.8
729.42145	3.4
767.91840	2.1
809.48175	12.9
827.49164	100.0
828.49200	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.5
63.30718	0.5
67.05508	10.4
68.05840	0.6
69.03425	3.3
69.07066	2.7
69.21846	1.1
69.22261	3.6
71.01349	0.6
71.04972	1.0
73.02924	3.3
79.05489	5.5
80.05812	0.6
81.03406	2.0
81.07054	8.4
82.07369	0.7
83.04964	0.6
83.08627	1.6
84.10188	0.5
85.02905	5.3
91.03963	2.5
91.05474	4.6
93.07056	5.8
94.07384	0.8
95.04971	1.7
95.08612	6.0
97.02898	4.6
97.06523	0.8
97.10162	1.0
97.92697	0.5
99.04472	1.0
101.02379	1.2
105.07047	3.2
107.04972	1.1
107.08591	4.4
109.02879	1.5
109.06516	1.1
109.10166	2.6
111.08061	0.6
115.03991	0.5
117.07033	1.7
119.08606	2.3
121.10127	2.8
123.11733	0.9
125.09629	1.0
127.03907	1.3
131.08586	1.9
133.10152	1.9
135.11716	1.4
143.08525	0.7
145.10138	1.4
147.11732	1.2
149.09584	0.6
149.13284	1.2
151.11147	0.7
159.11745	1.4
161.13319	0.5
163.11171	0.6
169.10019	0.6
185.04240	0.6
191.15915	0.4
195.13812	0.5
227.12843	0.6
241.19603	0.6
243.08453	2.1
269.17429	1.0
270.17838	0.7
275.20111	0.9
331.18646	2.6
335.25937	1.2
336.26483	0.8
351.25360	0.6
519.29242	6.8
549.26770	2.5
601.85846	0.6
612.46649	0.5
827.49121	100.0
828.49109	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	827.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38881	1.6
61.02938	8.5
63.50333	2.0
67.05508	14.5
69.03430	6.8
69.07072	5.9
69.57428	5.1
69.57856	7.2
73.02919	6.8
76.22321	1.7
79.05499	11.6
81.03416	3.8
81.07071	15.1
83.05011	2.1
83.08637	2.2
85.02913	4.9
86.17041	1.9
91.03960	2.8
91.05505	6.9
93.07065	8.1
95.04967	2.0
95.08605	11.2
97.02895	4.6
97.06556	2.1
105.07046	6.0
107.08590	4.6
109.10168	3.0
117.07066	2.0
119.08628	5.6
121.10182	4.1
122.98956	1.9
127.03952	2.2
131.08612	2.7
133.10184	4.4
143.53337	1.9
145.10155	2.1
147.11723	2.4
209.70924	1.8
243.08464	3.9
275.20016	2.1
296.00708	1.7
313.17935	2.5
330.28311	1.8
331.19016	4.5
337.27353	2.6
338.27850	3.6
350.24130	2.4
519.29120	9.6
532.41223	2.3
549.26581	2.4
598.56128	1.8
729.42145	3.4
767.91840	2.1
809.48175	12.9
827.49164	100.0
828.49200	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.0
62.70621	0.5
65.03957	1.0
67.05507	17.9
68.05856	1.2
69.03434	4.0
69.07071	6.0
70.07415	0.7
71.01358	0.9
71.04994	1.4
71.08640	0.9
73.02924	4.3
79.05497	11.5
80.05840	1.5
81.03431	2.8
81.07059	18.1
82.07413	1.4
83.05003	2.1
83.08617	3.3
85.02902	6.2
85.06566	1.3
86.00285	0.5
87.04478	0.7
91.03979	2.8
91.05479	10.6
92.05815	1.1
93.07043	13.3
94.07386	1.3
95.04984	1.9
95.08608	11.2
96.08970	1.7
97.02896	4.7
97.06566	1.8
97.10194	1.5
99.04427	0.6
99.08104	1.5
101.02415	1.2
105.07030	8.6
106.07356	0.7
107.04985	1.5
107.08594	6.9
108.08953	0.9
109.02956	0.6
109.06528	1.3
109.09432	0.7
109.10155	4.8
110.10468	0.8
111.08092	0.6
115.03921	1.0
117.06998	3.9
118.07379	0.7
119.08591	5.5
120.08931	0.8
121.06505	0.9
121.10143	4.6
122.10530	0.8
123.11744	1.4
125.09633	0.7
127.03957	2.0
129.07027	1.4
131.08577	4.2
132.08931	0.9
133.06531	0.7
133.10127	5.4
134.10474	1.2
135.08093	0.6
135.11687	3.1
143.08562	0.9
145.10124	3.4
146.10493	0.6
147.11714	1.7
149.09528	0.7
149.13287	1.7
151.11215	0.6
157.10144	1.5
159.11673	3.0
160.12083	0.9
161.09666	0.6
161.13359	0.9
163.11221	0.6
163.15015	0.5
171.11716	0.8
173.13251	1.3
175.14871	0.6
185.04256	1.3
185.13280	1.5
186.13634	1.0
227.12804	0.7
243.08467	2.6
257.19031	1.6
258.19598	0.8
269.17563	2.9
270.18002	0.8
275.20163	1.8
276.20520	1.8
331.18909	2.1
332.19550	0.6
335.25699	2.5
336.26218	1.5
337.27374	4.2
338.27740	4.9
349.23901	1.9
350.24213	1.4
363.95050	0.6
387.21576	0.7
422.59048	0.6
519.29456	5.4
529.39111	1.7
530.38983	2.9
549.26624	5.0
611.46375	0.6
612.47003	5.0
628.32996	0.6
776.07324	0.7
808.74280	0.6
809.02588	0.7
809.48340	4.5
827.49146	100.0
828.49445	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97113	0.7
61.02939	3.7
64.36211	0.8
67.05496	5.9
69.03436	3.8
69.07070	1.7
70.67418	1.9
70.67760	1.2
73.02931	3.2
79.05502	4.1
81.03442	1.9
81.07058	4.1
83.04995	1.0
83.08636	1.5
85.02915	4.0
91.03960	1.6
91.05462	2.1
93.07049	4.4
95.08624	2.9
97.02904	2.8
101.02417	1.2
103.08717	0.9
105.07061	2.6
106.19773	1.1
107.08615	1.4
109.10159	2.7
117.07005	1.3
119.08607	2.1
127.03957	1.4
131.08669	1.0
135.37091	0.9
137.53401	0.8
145.10118	1.7
229.14339	1.4
243.08386	1.4
313.27881	1.1
331.18820	5.8
365.21466	0.9
405.22464	0.9
519.29266	4.2
549.27069	1.3
827.49152	100.0
828.49438	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.2
67.05509	5.8
69.03427	2.9
69.07061	1.7
69.81564	0.9
69.81966	1.8
71.01350	0.7
71.04990	0.6
73.02908	3.7
79.05499	4.4
81.03423	1.7
81.07043	4.7
85.02899	5.2
91.03951	2.9
91.05481	2.9
93.07025	4.2
93.52900	0.5
95.08614	3.7
97.02894	3.9
97.06493	0.6
99.04464	0.9
99.98453	0.4
101.02370	2.0
105.07044	1.9
107.08578	2.1
109.02903	0.6
109.10172	1.3
117.07044	0.7
119.08600	1.7
121.10121	2.1
123.11706	0.7
127.03964	1.3
129.07019	0.7
129.36618	0.4
131.08612	1.0
133.10130	0.9
135.11732	0.5
145.10176	0.8
147.11708	0.8
149.13197	0.5
159.11797	0.4
160.72891	0.4
163.68040	0.4
167.87050	0.4
184.49008	0.4
185.04338	0.7
190.40675	0.4
202.24544	0.4
243.08420	2.3
261.22281	0.5
315.19177	0.5
332.90448	0.5
333.20370	4.2
335.25912	1.1
423.35559	0.5
465.21149	2.0
519.29266	6.5
551.28369	2.6
743.43738	0.8
829.50702	100.0
830.50983	8.1
840.57916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.3
65.51418	0.8
67.05517	5.9
69.03432	2.9
69.07070	1.6
73.02907	3.9
78.71357	0.7
79.05502	7.4
81.03419	1.8
81.07047	5.7
83.08627	1.6
85.02899	3.9
91.03963	2.6
91.05485	6.1
93.07052	6.4
95.04980	1.0
95.08598	3.6
95.29827	0.8
97.02886	4.7
97.10149	1.0
101.02396	1.2
105.07039	5.7
107.08611	2.5
107.66158	0.9
109.02905	1.0
109.10155	1.2
117.07041	1.8
119.08588	3.2
121.10178	2.6
127.03940	2.3
131.08580	2.1
133.10168	3.1
135.11693	1.7
143.08549	1.2
147.04451	1.9
147.11737	1.5
149.13319	1.1
159.11737	1.0
182.68909	0.8
185.04221	1.3
229.05972	0.9
243.08482	4.5
251.43733	0.8
259.20566	1.0
301.08969	1.9
315.10593	1.8
317.21005	1.3
465.21216	1.7
525.23468	1.3
535.28729	12.7
607.30914	2.4
829.50696	100.0
830.50525	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	830.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57499	0.1
61.97819	0.1
69.03426	0.7
69.59717	0.2
69.60122	0.7
70.06609	0.6
71.04992	0.2
73.34556	0.1
77.03922	0.4
79.05497	1.2
81.03403	0.8
81.07045	0.2
85.02901	0.9
86.09703	0.2
87.00823	0.3
91.05485	0.2
95.04967	1.4
95.08612	0.2
97.02897	1.1
98.20757	0.2
105.01865	0.5
105.04523	0.7
107.04956	100.0
108.05292	1.5
109.02868	0.4
110.07131	0.2
119.04950	0.2
127.03904	1.0
133.06496	0.2
137.06001	0.2
145.04941	0.5
145.06584	0.2
149.05981	0.5
150.12993	0.1
161.05965	0.5
169.06564	0.2
187.07605	0.3
197.05998	0.1
213.09053	0.7
215.07095	0.4
217.37808	0.1
231.05104	0.4
233.08263	0.1
248.10472	0.1
249.06050	0.3
291.26797	0.1
319.08173	0.1
325.11023	0.2
355.10306	0.5
674.24646	0.1
830.39148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.6
64.75507	1.0
67.05499	7.0
69.03436	3.0
69.07065	2.5
69.55738	5.8
73.02932	4.4
79.05504	3.9
81.03419	2.9
81.07053	7.8
81.25040	0.9
83.08604	1.3
85.02895	5.2
91.03940	2.6
91.05489	2.6
93.07050	3.2
95.08621	5.0
97.02892	5.4
101.02397	2.7
105.07039	2.0
109.02895	1.5
109.10200	1.4
118.60992	0.9
121.10114	1.0
123.11752	1.0
127.03963	1.4
133.10094	1.1
135.86789	0.9
141.46255	0.8
143.17395	0.9
147.11771	1.1
187.74902	1.0
242.79321	0.9
243.08600	1.5
284.83939	0.9
320.03403	1.3
321.50143	1.0
333.20432	2.2
335.22119	1.3
412.70206	1.0
428.24783	0.9
465.21082	1.2
510.91696	1.0
519.29230	2.2
521.30908	3.6
553.29742	1.1
554.14899	0.9
831.52167	100.0
832.52655	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	832.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44465	0.2
67.05499	0.4
69.03428	1.3
69.07070	0.4
70.06590	0.9
71.04995	0.4
77.03934	0.6
78.03462	1.2
79.05138	0.2
79.05499	2.4
80.05021	1.0
81.03423	2.8
81.07063	0.5
85.02909	1.2
86.09695	0.4
91.05479	0.4
91.34225	0.2
93.07061	0.3
95.04974	1.5
95.08622	0.6
96.04491	0.8
97.02884	1.1
99.04453	0.8
105.04507	1.0
106.02917	5.5
107.04958	100.0
108.05252	1.3
109.02890	1.7
109.10194	0.3
119.08572	0.4
121.10079	0.2
124.03957	56.9
125.04278	0.7
127.03932	1.2
131.04919	0.3
137.05962	0.3
145.04967	0.3
164.07018	0.3
200.63393	0.3
240.10237	0.2
250.07155	1.6
268.08167	50.0
269.08426	1.1
325.36337	0.3
374.12347	32.4
375.12424	1.2
402.15680	0.3
430.13632	0.3
519.13055	0.2
564.21021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05182	1.3
67.05509	16.0
69.03395	1.1
69.07066	4.9
70.74018	0.8
71.49371	1.4
79.05495	14.5
81.06596	1.2
81.07059	19.1
83.04950	1.2
83.08595	2.7
85.02882	1.3
91.05481	6.6
93.06490	1.2
93.07045	13.7
95.04971	2.1
95.08605	13.7
97.06523	1.1
105.04485	1.4
105.07023	4.9
107.04961	100.0
107.08601	6.5
108.05267	1.1
109.09489	0.9
109.10183	4.8
111.08054	0.9
117.07052	2.0
119.08586	4.2
121.10149	5.6
121.42890	0.9
123.11750	1.6
131.04900	1.1
131.08563	2.1
132.08022	0.8
133.06514	4.1
133.10139	2.1
135.11678	3.7
144.05641	1.1
145.06494	12.9
145.10107	1.2
147.08093	1.2
147.11623	1.2
149.13214	1.9
157.06459	5.2
159.08014	2.9
159.11743	1.7
171.08044	3.1
195.08122	1.3
197.09743	1.1
243.21106	1.8
261.22067	2.9
265.15836	1.0
269.17487	1.2
283.16907	1.5
301.17844	2.9
317.24603	1.1
335.25824	42.8
336.26248	1.6
357.20529	2.3
373.19922	1.1
375.17188	1.3
375.21661	18.3
449.60446	0.9
479.19373	0.8
501.25183	0.9
635.32489	1.5
635.43048	29.3
636.43066	1.6
653.43323	0.9
832.50806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	55.6
59.06109	2.1
61.02914	4.5
65.03933	1.4
67.05504	19.9
69.03415	1.8
69.07077	6.1
70.06570	2.1
72.08147	1.0
73.02897	1.4
79.05498	18.4
79.88490	0.9
80.05031	1.3
81.07056	19.1
82.06581	5.3
83.08608	2.5
84.04494	4.3
84.07700	0.8
84.08158	6.9
85.02895	2.8
91.03944	2.0
91.05482	14.3
93.07053	17.4
94.06575	11.6
95.04968	2.9
95.07349	1.4
95.08615	15.5
96.08122	3.1
97.02870	2.9
97.06538	1.2
97.10185	1.5
98.21628	2.1
105.07044	10.5
106.06550	2.2
107.08589	11.9
108.08096	3.3
108.59602	0.9
109.10156	5.4
110.09683	2.0
112.07582	3.6
114.09158	1.6
117.07014	4.4
119.08606	7.6
120.08092	2.2
121.10157	7.5
122.09652	3.1
123.08076	1.0
123.11725	1.6
124.11230	4.8
129.07011	1.4
131.07680	1.0
131.08563	5.4
133.10136	5.0
134.09656	1.6
135.11719	4.7
136.11179	2.3
143.08519	1.3
145.10066	5.4
147.11678	3.2
149.13252	2.4
152.10710	2.2
157.10149	1.3
159.11757	2.4
161.13321	1.5
161.98436	0.9
162.12729	1.7
164.14398	3.1
171.11642	1.2
171.14030	0.9
173.13289	1.5
180.13858	2.7
185.13202	1.2
214.89774	1.0
220.16982	2.2
229.04178	1.1
260.20096	1.3
261.22299	1.3
293.80130	1.0
300.23218	1.8
301.21500	1.9
304.78317	1.0
312.21866	1.1
318.24222	4.0
335.25821	11.9
336.25491	1.4
374.27084	1.6
392.27966	4.2
408.85388	1.0
410.29080	2.1
421.33038	1.1
503.88004	0.9
532.39880	3.8
572.43146	1.7
612.46521	2.3
635.45972	1.6
652.49200	7.3
670.50433	100.0
671.50891	7.2
814.53748	1.6
832.55627	16.3
833.55731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00600	3.6
67.05505	74.0
69.03423	13.2
69.07072	43.7
70.06609	7.2
71.04985	4.5
71.08614	4.7
71.48853	6.4
79.05495	70.3
81.03427	10.2
81.07053	72.7
83.04955	7.3
83.08617	18.7
84.07970	3.2
85.02925	4.8
87.04467	15.3
87.41861	3.4
91.05482	78.9
93.07045	64.2
95.04957	18.4
95.08607	55.2
97.02902	8.6
97.06548	12.0
97.10194	20.5
100.54337	3.3
105.07032	77.9
107.04980	14.4
107.08588	41.8
107.37333	4.0
109.06509	10.1
109.10154	22.5
111.08089	5.5
117.07011	26.1
119.08577	59.0
121.06498	7.7
121.10126	21.0
123.08079	8.3
123.11710	3.4
125.09629	20.7
127.03902	3.3
128.06192	5.0
129.07018	14.0
131.08556	32.2
133.10117	35.7
135.08078	8.5
135.11734	16.8
137.09612	4.6
141.07051	5.5
143.08580	13.2
145.06508	3.8
145.10136	27.1
147.08064	9.7
147.11700	31.9
149.09549	7.0
149.13252	8.6
151.11176	4.1
153.09111	4.6
155.08540	7.2
157.10107	19.1
159.11674	21.4
161.09673	5.0
161.13226	21.4
163.11220	4.8
169.10143	8.0
171.10327	4.8
171.11726	14.8
173.13272	12.8
175.11151	4.9
175.14847	7.3
181.10217	4.1
185.13226	9.9
195.11736	4.6
195.70224	3.6
197.13327	6.3
199.14777	4.0
212.14404	6.3
223.13298	14.5
227.12810	11.4
241.19469	16.5
245.19283	3.7
257.19098	5.9
259.12366	3.8
259.20587	31.1
273.18451	7.8
275.20001	27.1
289.90518	3.6
291.19516	100.0
292.19879	4.5
293.21362	5.3
315.23114	7.8
333.24243	34.1
342.24298	14.5
349.23831	23.4
365.23328	31.6
379.29980	6.1
397.26370	3.6
418.84338	3.5
472.59985	4.0
525.35535	10.3
543.36481	10.7
623.42957	44.6
624.41577	4.5
641.43921	22.5
806.04877	3.9
838.54205	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	839.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	40.2
65.43076	4.4
67.05508	94.6
69.03429	10.4
69.07050	16.7
69.20028	4.5
73.02915	13.4
79.05495	55.7
81.03427	7.5
81.07057	100.0
83.04968	5.2
83.08622	11.6
85.02913	60.2
91.03954	49.8
91.05495	30.4
93.07051	61.4
95.04962	7.7
95.08061	7.7
95.08609	74.8
96.40708	5.9
97.02896	36.7
105.07036	21.3
107.05003	6.2
107.08606	38.5
109.10175	35.8
110.97816	4.4
117.07008	13.7
119.08582	19.4
121.10160	33.7
123.11680	23.6
124.58353	4.6
127.03916	14.8
131.08551	24.9
133.10144	13.5
135.11697	34.8
137.05963	6.8
137.13283	8.1
145.04970	26.5
145.10132	20.3
147.11671	14.2
149.13264	22.9
159.11705	17.4
160.06091	5.7
161.13235	15.7
162.62129	5.1
163.04762	7.0
163.06035	57.8
163.14822	15.5
173.13234	15.2
187.14796	5.6
198.39809	5.4
201.16409	5.2
229.61105	6.3
233.22794	5.9
243.21158	40.4
261.22150	97.9
279.23187	8.3
335.25754	32.9
353.26880	63.8
497.31061	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	8.1
67.05186	6.4
67.05510	81.4
69.03429	11.8
69.07072	37.3
69.13133	57.4
70.06595	9.1
71.04996	6.2
79.05494	91.9
81.03426	8.8
81.07060	89.9
83.05008	7.4
83.08605	21.7
91.05482	100.0
93.07050	90.2
95.04971	23.3
95.08598	64.1
97.02890	8.7
97.06503	8.4
97.10146	10.4
99.08105	6.1
105.07037	87.4
105.42429	4.6
107.04935	7.5
107.08597	53.8
107.72004	5.1
109.06507	14.0
109.10152	22.0
111.08090	8.1
113.09595	7.0
115.05434	9.6
117.07024	42.2
119.08589	75.5
121.06510	10.9
121.10178	37.6
123.08067	7.0
123.11693	5.4
125.09637	9.1
128.06194	7.8
129.06989	30.4
131.08577	54.9
133.10127	38.4
135.11702	22.5
141.07025	10.6
142.07776	10.4
143.08553	32.1
145.10138	56.3
147.08058	5.7
147.11688	37.5
149.09627	14.3
149.13258	5.8
155.08543	30.5
157.10129	38.4
159.11700	40.4
161.13277	19.6
163.11253	6.1
165.12653	5.8
167.08543	18.2
169.10129	26.8
171.11676	22.4
173.11974	6.6
173.13237	27.5
175.14758	8.8
181.10065	11.2
183.11734	20.4
185.13260	22.9
187.14894	8.1
192.27255	5.2
193.10143	7.3
195.11719	14.0
197.13300	9.2
199.14825	8.2
209.13307	12.2
211.14818	10.3
213.16463	6.5
214.15884	16.1
223.14880	9.8
237.16479	10.0
239.17924	12.1
241.19649	7.7
257.18997	12.0
259.20639	23.2
261.16211	5.4
266.72427	5.2
273.18387	6.0
275.20032	26.1
333.24323	25.6
344.25867	66.5
349.23807	25.3
350.24243	8.2
513.35828	7.2
515.38159	8.8
527.37317	6.8
533.39996	10.7
535.37262	5.5
539.37610	6.4
551.40851	6.5
553.38806	12.1
567.39972	10.2
607.43536	61.5
625.44855	29.8
840.56281	68.1
841.56445	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18229	4.2
66.42828	3.7
67.05192	5.1
67.05509	53.5
69.07076	28.0
70.04071	3.9
70.06586	5.9
71.04971	4.6
79.05503	58.8
81.03416	8.8
81.07060	100.0
83.04966	6.2
83.08621	12.5
87.04479	5.2
89.94512	3.8
91.05482	70.4
93.07048	55.8
95.04951	13.1
95.08613	44.0
97.06519	11.5
97.10191	4.2
99.08077	4.1
105.06334	4.1
105.07037	70.8
107.04948	14.3
107.08591	37.1
109.06525	22.1
109.10130	17.5
111.08071	6.0
116.07086	9.7
117.07005	18.3
119.08584	57.5
121.06481	5.9
121.10134	28.3
123.08066	7.0
123.11715	9.8
125.09623	5.2
129.07013	12.5
129.18123	3.7
131.08583	28.3
133.10146	35.0
135.07980	6.4
135.11711	18.8
136.37563	4.1
145.10133	30.2
147.11697	35.0
149.09567	4.4
149.13220	8.5
151.11111	5.7
157.10130	9.3
159.11708	22.1
161.13263	19.1
163.11206	9.5
165.12772	6.5
171.11652	11.7
173.13281	16.1
175.14838	10.1
177.12645	4.7
185.13202	5.9
187.14798	4.3
213.16521	5.9
227.12697	4.3
241.19600	19.4
259.20590	40.1
275.20093	55.9
291.19498	9.7
292.19955	6.0
293.21042	13.2
315.23026	5.4
333.24231	66.6
335.25824	7.2
344.26047	7.9
349.23743	16.6
351.25320	10.8
365.22855	4.2
367.24832	48.0
551.40540	8.6
607.43311	17.8
625.44769	43.5
812.86804	5.7
815.97278	5.6
840.55969	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.9
65.03940	6.0
67.05508	99.5
69.03424	13.6
69.07069	57.1
70.98871	5.0
71.01357	1.8
71.05000	22.6
71.31348	1.4
73.02897	2.9
77.03927	3.7
79.05493	94.8
79.74760	1.7
81.02995	2.2
81.03429	24.5
81.07057	99.6
83.04980	12.0
83.08615	17.2
85.02898	7.4
85.06549	5.9
91.03957	1.8
91.05481	64.7
92.05853	1.9
93.07045	84.1
95.04971	21.1
95.08607	63.4
97.02888	7.3
97.06532	100.0
97.10161	6.7
99.04430	2.3
99.08074	7.0
101.02370	1.7
103.05438	3.1
105.04561	2.2
105.07032	43.4
107.04955	11.1
107.08595	44.8
109.02874	3.4
109.06516	25.1
109.10157	24.7
111.08076	7.0
113.05992	4.4
115.05457	3.7
115.07582	22.4
117.07021	23.3
118.42748	1.6
119.08582	34.6
121.06509	7.6
121.10145	28.3
122.10434	1.8
123.08082	8.7
123.11703	6.3
125.09605	4.9
127.03933	4.6
127.07603	2.8
128.06161	2.2
129.05466	1.6
129.06996	12.5
131.06981	1.5
131.08559	27.9
133.06491	3.8
133.10130	26.1
135.08035	11.3
135.11685	17.8
137.09599	5.0
139.11140	2.2
141.06958	3.1
142.07803	2.7
143.08566	12.1
145.06505	2.6
145.10127	21.4
147.08025	7.3
147.11699	15.3
149.09599	7.8
149.13283	12.5
151.11124	2.1
155.08536	3.4
157.10123	12.4
159.08058	2.3
159.11705	17.5
161.06017	1.8
161.09630	8.2
161.13251	6.4
163.11171	6.7
163.14813	3.4
165.12746	1.7
166.45409	1.7
169.10149	2.3
171.11711	7.2
173.04459	4.2
173.09593	3.8
173.13263	9.2
175.11171	4.2
175.14813	3.9
177.12788	7.9
183.11827	3.3
185.13210	5.1
187.11087	2.0
187.14771	3.2
189.11237	2.2
193.12172	2.7
195.11917	2.4
195.13783	6.6
197.13266	1.5
199.14828	2.5
201.12798	3.0
209.13278	2.1
211.14796	1.9
213.16505	2.9
217.15851	10.1
227.12805	2.2
227.18001	1.9
229.14433	2.2
233.15382	3.3
237.16405	2.8
241.63054	1.5
243.21161	3.2
245.19022	5.3
249.14900	1.9
255.17587	3.6
259.20654	2.4
261.22107	11.0
267.15997	3.3
269.17435	21.1
273.18509	31.9
275.19962	3.2
289.18079	1.9
291.19504	20.0
307.18887	3.5
317.24612	2.0
333.24338	1.7
335.25818	94.2
336.26135	3.4
344.25903	2.9
347.22144	10.5
365.23148	14.3
515.37872	3.2
527.37115	1.9
529.38922	40.2
530.38794	2.1
545.38391	2.9
607.43060	5.9
625.44537	16.9
643.45123	6.7
840.55298	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.4
65.03951	3.9
67.05508	68.3
69.03428	9.2
69.07074	23.3
71.04987	5.4
71.08644	2.7
79.05494	62.1
81.03404	9.8
81.07058	97.7
83.04984	16.3
83.08619	24.9
85.02905	8.9
85.06553	3.3
85.15283	2.2
91.05481	44.4
93.07047	55.0
95.04972	20.5
95.08611	34.7
97.06533	6.7
97.10168	31.8
99.04464	2.5
99.08106	3.2
105.07026	33.9
107.04952	14.9
107.08597	38.5
109.06515	12.3
109.10164	28.3
111.04451	15.4
111.08075	6.8
115.05463	3.7
117.07024	25.7
119.08587	44.0
119.65810	1.9
121.06512	13.3
121.10155	24.2
123.08099	16.3
123.11738	3.0
125.09647	28.1
128.06221	1.9
129.07016	10.6
131.08565	18.2
133.06503	4.4
133.10121	15.2
135.08076	13.5
135.11694	16.0
137.09615	4.3
139.11156	3.4
143.08583	7.8
145.10150	21.5
147.08058	16.8
147.11700	7.9
149.09624	11.0
149.13274	4.5
153.09158	4.2
153.12711	3.4
155.08588	3.7
157.10170	6.9
159.08104	5.4
159.11682	11.3
161.09647	11.9
161.13237	6.0
163.11205	17.6
165.09109	7.3
169.10219	2.9
171.10178	5.9
171.11710	5.5
173.09656	5.5
173.11728	5.4
173.13191	4.4
175.11163	7.5
175.27365	1.8
177.12791	2.3
181.10072	2.1
181.12209	5.4
185.13210	5.1
187.11243	2.0
187.14891	2.7
189.11224	31.1
189.12735	4.1
191.10716	7.3
193.12297	4.7
198.04211	2.1
205.12294	3.2
211.13332	2.3
223.13348	5.8
227.12796	26.1
227.17970	3.8
229.14354	12.7
245.13831	5.2
245.19081	6.7
249.14862	2.7
255.17519	7.1
261.22159	6.6
263.20181	3.4
273.18500	56.8
275.19995	3.9
283.15555	3.0
291.19540	77.3
292.19769	2.6
309.20648	7.8
327.28992	9.3
335.25784	22.5
347.22180	34.1
347.26233	3.6
365.23251	100.0
366.23535	4.1
383.24374	5.5
385.75439	2.2
481.38815	11.5
533.39886	3.2
551.41266	4.7
569.41681	3.3
625.44647	21.0
643.45697	79.9
643.56641	3.9
644.45917	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	842.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.03421	0.2
69.07068	0.4
70.02267	0.3
70.02650	0.3
70.06587	0.2
71.04968	0.3
77.03924	0.4
79.05489	1.8
81.03423	0.3
81.07042	0.9
83.04981	0.4
85.02900	0.3
85.06526	0.2
91.05482	0.5
93.07045	1.4
95.04959	1.8
95.08608	1.8
97.06532	0.9
99.04458	0.7
105.04527	0.8
105.07024	1.0
107.04955	100.0
107.08595	0.9
108.05284	1.3
109.02898	0.2
109.06518	1.1
109.10139	0.2
111.08063	0.6
113.05994	0.2
116.10729	0.1
119.08577	0.6
121.06502	3.4
121.10156	0.2
123.04421	0.3
123.08061	0.2
123.11724	0.4
125.05997	0.6
127.07579	0.3
131.08603	0.3
133.10123	0.9
135.08061	0.5
137.06007	0.2
139.07535	1.0
143.07050	0.4
143.08522	0.2
145.10089	0.3
147.04454	0.2
147.08093	0.2
147.11679	1.6
149.13297	0.2
151.11186	0.2
157.08670	0.4
157.10118	0.5
159.06586	0.4
161.13290	0.5
165.12810	0.6
169.12267	0.9
171.11725	0.6
173.09615	0.2
175.11171	1.4
180.18854	0.1
181.10280	0.1
189.12746	1.0
193.12224	1.4
199.11168	1.5
207.13815	0.8
211.13216	1.4
212.16644	0.2
213.09053	1.2
217.12234	4.1
229.14322	0.7
235.13293	3.6
253.14357	7.7
254.14751	0.2
271.15411	3.4
289.16458	14.4
290.16919	0.3
317.17517	0.2
323.16379	0.2
341.17676	0.3
346.36340	0.2
359.18634	0.6
395.20532	0.3
547.49811	0.2
613.28918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.3
65.03945	0.6
67.05505	7.2
68.05857	0.4
69.03435	3.0
69.07069	3.7
71.04980	1.0
72.01244	0.3
72.57874	0.3
75.96933	0.3
77.03918	0.4
78.72452	0.3
79.05492	7.3
81.03420	5.0
81.07053	7.3
82.07416	0.4
83.04976	0.9
83.08613	1.2
85.02906	2.2
85.06521	0.4
91.05475	4.4
93.07047	5.8
95.04967	3.0
95.08606	6.2
96.08939	0.3
97.02887	2.5
97.06516	1.6
97.10162	0.9
98.20746	1.0
99.04462	0.6
99.08067	0.4
103.03970	0.5
103.05492	0.4
105.04523	1.3
105.07028	4.3
106.07362	0.3
107.04955	100.0
107.08600	2.8
108.05286	0.9
109.02877	1.7
109.06533	0.6
109.10149	3.2
111.04443	1.0
115.05497	0.8
116.07896	0.3
117.07014	2.4
119.04936	0.4
119.08585	3.0
121.06503	1.4
121.10144	2.5
123.08062	0.5
123.11700	1.0
125.09656	0.4
127.03910	1.5
128.06241	0.9
129.05544	0.5
129.07037	2.2
131.04933	2.4
131.08580	2.4
132.08881	0.3
133.06499	5.3
133.10141	1.8
135.08060	1.0
135.11697	1.1
137.09634	0.4
137.13203	0.4
141.06999	1.4
142.07796	0.5
143.08542	1.6
144.05731	0.8
145.05171	0.5
145.06483	6.1
145.10144	1.8
147.08026	1.6
147.11649	1.5
149.05975	0.7
149.13249	1.0
153.07021	0.6
155.08571	1.2
157.06483	8.6
157.10114	1.0
159.08069	3.2
159.11668	1.7
161.09637	2.5
161.13275	0.6
163.07613	0.3
163.11195	0.3
165.07059	0.7
167.08568	0.6
169.06482	2.1
169.10138	0.8
170.07309	0.5
171.08067	4.0
171.11719	1.0
173.05997	1.8
173.09641	2.9
173.13257	1.2
175.11206	1.1
175.14772	0.5
179.08546	0.6
181.06454	2.0
181.10121	0.6
182.07286	0.3
183.08047	3.3
183.11688	1.0
184.08850	0.5
185.09601	3.4
185.13254	0.3
187.07599	0.5
187.11185	2.3
187.14778	0.7
195.08064	2.1
195.11781	0.5
195.13788	0.3
197.05956	1.0
197.09616	2.6
197.13269	0.3
199.07555	0.6
199.11188	2.6
201.12787	1.5
207.08061	0.9
209.09653	1.0
209.13220	0.4
211.07584	0.7
211.11122	1.7
213.09105	0.4
213.12738	1.3
215.14340	1.1
221.09645	0.6
223.07603	0.9
223.11201	1.2
225.09129	0.4
225.12762	1.1
227.10558	0.4
227.14323	1.0
229.19604	0.3
229.57912	0.3
235.11205	0.6
237.12794	0.9
239.14388	1.0
241.15897	0.4
243.21083	0.4
245.18916	0.3
251.10870	0.4
251.14351	0.6
253.15936	0.7
255.82172	0.3
257.15466	0.5
257.91473	0.3
259.20618	0.5
261.22244	0.8
263.14282	0.4
265.12283	0.3
265.15906	0.5
267.13910	0.6
273.09024	0.3
273.18448	0.3
273.22086	0.4
277.21429	0.3
283.16922	0.5
291.17520	0.4
297.18515	0.5
299.19916	0.3
301.21649	0.5
305.15521	0.4
307.16925	0.5
311.16272	0.3
323.16553	0.3
335.25748	0.7
336.26254	0.4
346.20969	0.3
349.25272	0.3
365.24866	1.3
367.26364	6.1
383.25702	0.3
387.25177	0.7
389.24811	0.5
391.26358	2.7
403.25247	0.6
405.26898	0.5
409.27695	0.5
415.26624	0.4
417.80350	0.3
421.27237	0.6
429.27841	0.4
433.27393	2.5
447.28796	0.7
457.27173	1.7
475.28513	2.6
493.29684	2.0
511.30585	1.1
529.31476	0.5
636.32361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04971	1.9
61.02917	2.2
65.03919	4.3
67.05507	100.0
69.03415	4.9
69.07071	25.7
69.26274	11.6
70.06600	1.5
71.04980	3.7
79.05496	53.1
81.03406	4.0
81.07059	77.6
83.04966	6.0
83.08617	14.7
85.02892	1.5
85.06522	3.2
85.30199	1.3
90.74396	1.3
91.05484	38.6
93.07047	60.7
93.81737	1.3
94.07387	2.5
95.04983	6.1
95.08613	51.1
97.02868	1.6
97.06531	8.2
97.10179	9.9
103.05511	1.4
105.04507	1.9
105.07040	31.9
107.04946	10.4
107.08592	35.9
109.06511	5.8
109.10162	46.1
111.08071	5.5
113.73779	1.5
115.05491	1.5
117.07018	12.2
119.07811	2.2
119.08588	24.2
121.06510	2.5
121.10149	25.7
123.08085	3.6
123.11700	6.8
124.77119	1.3
125.09624	4.5
129.06990	2.4
131.08566	16.8
133.10143	21.8
135.08107	2.7
135.11710	13.2
137.09645	2.0
141.07066	1.3
142.82129	1.4
143.08563	2.9
145.10098	15.4
147.11714	11.1
149.09622	6.5
149.13275	10.8
155.08574	2.5
155.10617	2.2
157.10135	3.1
159.11729	10.7
161.09534	2.3
161.13222	5.1
162.03700	1.2
163.11217	2.9
163.14839	2.3
165.12692	2.5
169.10081	3.2
171.11713	3.1
173.11752	6.0
173.13269	6.8
177.12775	3.2
185.13254	1.8
187.11211	1.6
187.14740	2.2
189.11197	2.4
195.13792	1.7
197.13155	2.1
199.14746	1.9
201.16451	1.6
227.12897	7.7
229.14360	33.6
229.19534	2.0
243.20992	4.1
247.20552	1.6
257.18970	5.0
259.20459	1.8
261.22104	13.2
269.17468	16.3
275.20074	25.1
293.21143	4.1
309.20584	2.4
317.24826	2.4
335.25806	76.3
336.26108	3.3
349.23795	15.2
366.60593	1.5
367.24771	15.2
471.34775	1.6
489.35690	15.2
507.36740	2.4
529.38867	32.7
530.39227	2.8
547.39386	1.6
553.42731	1.8
569.41876	12.4
609.45105	24.4
627.46136	14.9
628.46503	2.0
769.32593	1.7
773.38660	1.4
843.48755	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	844.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04713	0.2
59.05002	3.1
61.02938	0.2
69.03431	1.5
69.24516	0.6
69.24952	0.4
70.06590	0.2
70.81278	0.1
71.04990	0.2
77.03922	0.3
79.05492	1.0
81.03427	1.1
81.07034	0.1
83.04981	3.7
84.08151	0.2
85.02432	0.2
85.02905	2.1
85.03381	0.2
86.06065	0.4
89.20258	0.1
91.05511	0.2
95.04969	1.2
95.08592	0.2
97.02898	2.7
97.03519	0.1
99.04469	0.6
101.06024	4.4
105.04529	0.5
107.04959	100.0
108.05293	1.2
109.02890	1.0
109.06543	0.1
116.10730	0.3
119.04921	0.1
119.07059	3.2
121.02900	0.1
127.03915	1.8
133.06505	0.2
142.08664	0.2
143.19304	0.1
145.04976	1.9
145.06500	0.2
147.08081	0.5
149.06012	0.1
159.08116	0.1
160.01428	0.1
161.05916	0.1
167.07042	0.1
186.22604	0.1
187.06039	0.3
187.07632	0.3
189.09230	0.1
191.07076	0.2
203.07040	0.2
205.07112	0.3
209.08119	0.6
210.14838	0.1
212.16391	0.7
213.09146	0.4
215.05186	0.1
215.06953	0.5
215.24637	0.1
227.09077	0.7
228.15964	0.3
233.08141	0.2
245.10222	4.5
251.09204	0.2
263.11273	3.8
285.11389	0.2
308.41724	0.1
315.12363	0.3
333.13336	0.4
351.14545	0.4
369.15509	0.5
374.22104	0.2
389.14529	0.2
392.22751	0.2
396.27744	0.1
407.15497	0.4
414.28741	0.2
425.16574	0.4
671.34613	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	844.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	7.2
69.03436	2.5
69.07066	2.4
71.04995	0.7
71.08618	0.7
71.09693	0.6
71.24004	0.2
77.03927	0.5
79.05495	5.2
81.03418	5.3
81.07053	7.5
83.04965	1.3
83.08630	1.3
85.02904	1.5
85.06537	0.6
85.10172	0.3
91.05478	2.7
93.07040	2.6
95.04972	2.4
95.08610	4.8
97.02911	2.2
97.06508	0.4
97.10168	0.6
99.04462	0.7
103.03943	0.8
105.04521	1.1
105.07034	2.7
107.04957	100.0
107.08606	1.6
108.05297	1.2
109.02869	1.5
109.06577	0.3
109.10149	1.9
111.04456	1.2
115.05444	0.8
115.11036	0.3
117.07015	1.3
119.04975	0.3
119.08628	1.2
121.06490	1.3
121.10138	1.6
123.04426	0.4
123.11735	0.8
127.03918	1.8
128.06253	0.5
129.05435	0.3
129.07007	0.8
131.04927	2.6
131.08551	1.8
133.06497	8.7
133.10144	1.0
135.08035	0.4
135.11688	0.9
141.06987	1.3
143.08594	0.6
144.05641	0.6
145.06477	6.4
145.10173	0.6
147.08049	3.1
147.11723	0.4
149.05963	0.4
149.13283	0.6
155.06000	0.4
155.08504	0.5
157.06497	6.8
159.08058	4.2
159.11700	0.4
161.05984	0.3
161.09630	0.8
161.13234	0.6
163.14928	0.4
167.08443	0.4
168.20822	0.3
169.06485	2.0
171.08064	4.2
171.11725	0.3
173.06010	2.7
173.09641	2.0
173.13187	0.4
175.14792	0.5
177.12827	0.5
179.08551	0.3
179.14360	0.3
181.06511	0.9
181.10175	0.3
183.08067	2.4
185.09637	1.1
187.07625	0.3
187.11235	1.0
189.12863	0.3
195.08113	1.1
197.05984	2.1
197.07629	0.3
197.08067	0.3
197.09631	2.0
199.07541	1.2
199.11224	1.0
201.12766	0.6
203.14375	1.0
207.08122	0.7
209.09708	0.5
211.07544	0.4
211.11223	0.7
213.09117	0.4
213.12811	0.6
215.07051	0.8
215.14226	1.7
217.15887	1.3
221.09595	0.4
223.07579	1.1
225.12761	0.6
227.14406	0.9
229.15924	0.9
239.14450	0.6
241.15944	1.1
243.17599	0.6
243.20882	0.3
245.15312	0.4
251.14357	0.3
253.15994	0.7
255.17584	0.6
257.15570	0.5
261.22174	0.5
265.15881	0.5
267.17615	0.4
269.15567	0.3
269.19113	0.6
271.16919	0.5
275.23758	0.6
281.15527	0.3
283.16965	0.5
285.18460	0.4
293.15384	0.3
295.17035	0.5
297.18930	0.4
307.16882	0.5
309.18387	0.4
351.26962	0.3
367.26425	1.8
369.27893	9.1
370.28220	0.5
371.25833	0.9
385.27228	0.5
387.25131	0.5
387.29562	0.3
389.27005	0.3
391.26306	0.6
393.27945	3.3
405.26636	0.3
407.28726	0.8
411.29190	0.5
417.27905	0.4
423.28662	0.3
431.29288	0.6
435.28983	5.5
449.30612	1.0
453.29962	0.6
459.28958	2.0
477.30045	5.2
495.31149	3.0
513.32269	1.1
531.33179	0.7
540.38873	0.4
631.54779	0.3
688.79688	0.3
844.47888	0.6
845.49060	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41706	0.8
62.35241	0.9
63.64829	0.8
67.05479	1.2
71.48936	1.1
81.07072	1.7
91.05486	1.0
93.07047	1.2
95.08633	1.1
107.04935	1.8
115.54472	0.8
138.17828	1.2
184.38695	0.9
371.48315	0.9
845.48114	100.0
846.48376	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.6
67.05512	3.7
69.03431	2.5
69.07078	1.5
71.01338	0.9
71.04975	0.8
71.48905	1.1
73.02923	3.2
73.88349	0.7
79.05491	5.1
81.03428	1.2
81.07057	3.8
84.00554	0.7
85.02901	3.5
91.03956	1.9
91.05482	4.3
93.07053	4.9
95.04976	0.8
95.08629	2.8
97.02891	3.5
98.98999	0.7
101.02384	1.4
103.04662	0.7
105.07053	3.4
107.08611	2.3
109.10188	0.9
119.08609	2.6
120.75175	0.7
121.10143	1.2
127.03955	0.8
131.08566	0.8
133.10175	2.2
135.11694	0.7
143.08649	1.0
145.10112	1.1
147.11751	1.4
159.11734	1.0
162.14305	0.6
172.08534	0.6
185.04187	0.8
195.36198	0.9
210.13078	0.8
243.08495	2.8
262.85507	0.7
333.20538	2.2
415.03351	0.7
465.21280	2.0
535.28833	6.3
551.28265	7.0
623.30664	0.9
706.84039	0.8
796.17114	0.7
845.50195	100.0
846.50763	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.6
62.48740	0.4
64.02594	0.4
67.05503	6.3
69.03429	3.6
69.07069	2.1
71.04994	1.1
71.98129	0.4
73.02929	4.0
74.21500	0.5
79.05489	4.9
81.03423	1.5
81.07057	5.8
83.08595	0.5
85.02914	5.0
85.03394	0.7
91.03963	2.1
91.05475	2.8
93.07040	4.3
95.04965	0.6
95.08607	4.1
97.02889	4.8
97.06528	0.9
97.10182	0.5
98.21526	1.2
99.04468	0.8
101.02383	1.9
103.03941	0.5
105.07049	2.2
107.04958	0.6
107.08601	2.7
109.02882	1.0
109.10165	1.2
117.06973	0.9
118.75160	0.5
119.08585	1.5
121.06499	0.5
121.10178	1.9
123.11765	0.7
127.03915	1.3
127.98103	0.4
131.08583	0.9
133.10147	1.0
135.11708	1.6
137.05721	0.6
145.10156	0.8
147.11716	0.7
153.57449	0.4
161.06020	0.5
179.12946	0.5
180.36578	0.4
185.04263	0.9
243.08479	1.6
259.07947	0.5
335.25763	0.7
337.27469	0.8
349.19855	6.8
405.22256	0.6
453.21115	0.9
519.29395	4.4
535.29340	0.8
567.27734	2.3
588.78705	0.5
717.41840	0.5
731.43762	0.9
845.50153	100.0
846.50531	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	846.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.4
67.05508	2.8
69.03431	2.4
69.07077	2.1
69.82957	1.2
71.08639	0.4
79.05492	3.1
79.57166	0.2
81.02982	0.5
81.03416	4.3
81.07052	2.9
83.04970	0.5
83.08606	1.3
85.02906	1.6
87.43858	0.2
91.05488	1.1
93.07040	1.6
94.44305	0.2
95.04967	2.1
95.08608	2.9
97.02900	2.5
97.10155	1.1
99.04444	0.4
103.03952	0.4
105.04524	0.9
105.07008	1.3
107.04956	100.0
107.08602	1.1
108.05254	1.3
109.02855	1.6
109.10132	1.4
111.04424	0.9
111.11698	0.4
115.05460	0.3
116.55085	0.2
117.07064	0.3
119.08585	0.7
121.02885	0.3
121.06491	0.7
121.10164	1.2
123.04408	0.4
123.11687	0.6
127.03904	2.3
129.07030	0.4
131.04919	2.4
131.08562	0.4
133.05486	0.6
133.06493	11.4
133.10106	0.7
135.11676	0.9
137.13300	0.3
141.07001	0.3
143.08627	0.5
144.05676	0.5
145.05032	0.6
145.06493	2.5
147.04407	0.5
147.08051	3.3
147.11734	0.5
156.40952	0.3
157.06464	3.3
157.10222	0.3
159.08080	1.6
161.06003	0.3
161.09679	0.4
165.86519	0.3
169.06543	0.8
171.08052	1.9
173.05994	2.6
173.09634	0.5
181.06441	0.3
183.08072	0.6
185.09630	0.8
187.11205	0.3
195.08147	0.4
197.05997	2.6
199.07552	0.8
199.11113	0.5
213.09109	0.7
215.07056	0.9
223.07536	0.6
226.65993	0.3
227.14299	0.7
231.17476	0.5
233.19009	0.3
237.08946	0.4
244.92674	0.3
245.15334	0.7
245.19025	0.5
247.24429	0.4
257.19034	0.6
259.16916	0.5
259.20612	0.3
265.25269	0.5
266.18384	0.3
283.26785	0.3
297.18573	0.4
305.24362	0.3
325.17981	0.3
353.28436	1.2
369.27875	1.8
371.24863	0.5
371.29465	11.1
372.29877	0.7
373.27487	0.8
383.29724	0.7
387.28912	0.8
389.26697	0.4
391.28677	0.9
395.29355	1.8
409.29590	1.0
419.28958	0.3
425.30444	0.4
427.30438	0.4
433.25912	0.4
433.31262	0.6
437.21667	0.3
437.30606	5.9
443.29819	0.3
451.32239	0.9
455.31711	0.4
461.30460	2.6
479.31647	4.5
497.32642	1.6
515.33789	1.7
846.48334	0.7
847.49194	0.4
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
61.02928	3.9
67.05506	5.6
69.03437	3.2
69.07066	1.8
70.06577	0.4
72.86946	0.5
73.02921	3.3
79.05492	4.3
81.03415	1.5
81.07063	5.3
83.04976	0.5
83.08612	0.8
85.02910	4.1
87.04459	0.4
90.92469	0.4
91.03963	2.4
91.05479	3.7
93.07045	3.4
95.04961	0.6
95.08615	3.7
97.02885	4.3
97.03442	0.4
97.10188	0.8
99.04462	0.7
101.02399	1.5
103.05482	1.0
103.32748	0.4
105.07011	2.1
107.04961	1.6
107.08605	2.4
107.12326	0.5
109.02857	0.7
109.10165	2.5
117.07077	0.7
119.08622	1.5
121.10181	2.0
123.11735	0.6
125.09645	0.4
127.03888	2.0
130.81036	0.4
131.04890	1.9
131.08568	0.6
133.10155	1.2
135.11757	0.8
145.10088	0.5
147.11725	0.8
149.13416	0.5
159.11761	0.6
161.06110	0.4
163.07555	0.6
167.07124	0.5
181.12370	0.4
185.04156	0.6
185.39082	0.4
209.08090	0.6
228.96591	0.5
243.08443	2.3
301.20230	1.5
335.25647	0.7
351.21506	2.4
519.29315	4.2
565.32587	0.5
569.29236	6.6
847.51740	100.0
848.52075	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	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.6
61.02933	9.7
64.94273	0.6
65.03947	2.0
67.05508	93.4
68.05825	0.7
69.03436	2.8
69.07069	6.2
70.15963	2.9
71.04994	3.0
71.08610	1.0
73.02918	2.9
79.05499	18.3
80.71395	0.6
81.03443	1.5
81.07058	34.9
83.08611	6.4
85.02905	13.4
85.06537	3.2
87.04514	1.0
91.03967	8.6
91.05477	12.2
93.07047	22.5
95.04955	1.8
95.07998	1.4
95.08611	26.3
96.08942	0.8
97.02910	6.8
97.06519	1.3
97.10179	2.1
99.04469	1.0
99.08070	0.9
105.04575	0.7
105.07030	6.2
107.04955	3.1
107.08595	12.2
109.06529	1.4
109.10162	74.1
110.10482	1.4
111.08102	2.8
117.07016	3.7
119.08586	10.5
121.10142	10.0
123.08083	0.7
123.11739	4.3
125.09618	1.3
127.03938	3.1
131.08591	6.7
133.10146	3.8
135.11693	8.0
137.09630	3.4
137.13243	0.6
145.05006	4.4
145.05968	0.8
145.10109	4.8
146.34117	0.6
147.11708	4.1
149.13255	5.2
155.10695	6.6
159.11691	3.9
161.13266	2.9
163.06021	3.7
163.14783	2.2
173.10255	1.1
173.11766	17.9
173.13269	2.7
175.14841	1.5
177.16338	1.0
180.08777	0.7
187.14780	0.8
191.14285	1.0
201.16428	1.0
216.50182	0.6
227.12781	7.5
229.14360	100.0
230.14729	1.5
233.22678	1.2
243.21072	5.2
254.88419	0.8
261.22141	16.9
317.24774	3.4
335.25806	64.5
336.26160	3.3
379.29675	0.9
397.30905	1.8
405.19275	0.8
415.31821	2.0
471.34598	1.9
489.35809	44.5
490.36115	2.9
507.36636	4.7
518.54565	0.7
649.18439	1.0
796.53387	0.9
848.48938	2.0
855.60321	0.8
858.51135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.1
61.02925	12.6
65.03941	3.0
67.05505	100.0
69.03441	1.7
69.07064	9.7
71.04999	3.2
73.02905	3.9
76.30563	0.7
79.05494	24.6
81.03424	1.6
81.07058	43.5
82.07394	0.7
83.08620	9.0
85.02903	12.9
85.06541	3.0
87.20184	0.6
91.03954	8.3
91.05482	16.5
93.07043	26.8
95.04977	2.5
95.08606	29.9
97.02888	8.2
97.06524	1.8
97.10161	2.7
98.21492	1.3
99.04468	1.2
99.08080	1.6
105.07024	8.9
107.04973	3.5
107.08594	17.5
109.06554	0.9
109.10156	77.6
110.10469	0.8
111.08070	3.3
113.09684	0.7
115.03936	1.2
117.06985	3.7
118.50328	0.7
119.08581	12.1
121.10149	11.6
123.08070	0.7
123.11709	4.3
125.09628	1.0
127.03928	3.7
127.11268	1.0
127.76495	0.7
131.08563	6.6
133.10112	6.9
135.11679	10.3
137.09639	3.8
137.13261	1.5
145.05002	4.4
145.10152	5.8
147.11699	4.8
149.13286	5.6
151.11218	0.7
155.10660	7.0
157.10228	0.8
159.11697	5.0
161.13261	4.0
163.06013	5.5
163.14815	3.1
173.11740	19.9
173.13284	4.0
175.14818	1.7
177.16388	0.9
187.14818	2.3
189.11221	1.3
199.14819	1.1
219.17352	0.8
225.16249	0.8
227.12814	7.4
229.14348	95.7
230.14650	1.9
233.22624	0.8
243.21045	5.6
259.20511	0.9
261.22122	21.8
262.22202	0.9
279.23041	0.7
317.24722	3.1
333.24277	0.8
335.25803	82.3
336.26105	2.2
350.67538	0.7
373.18802	1.0
379.30008	1.5
397.31100	1.3
415.31845	1.4
471.34579	2.2
489.35760	78.5
490.36078	3.5
507.36792	5.8
633.38715	1.0
848.49731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65987	0.2
67.05513	0.9
69.03438	1.3
69.07078	0.6
71.08637	1.2
71.49147	0.2
71.80668	0.1
77.03922	0.5
79.05511	1.6
81.03416	2.2
81.07060	1.1
83.08622	0.6
85.02904	2.0
85.10179	1.0
85.48621	0.2
91.05482	0.4
93.07027	0.4
95.04980	1.4
95.08613	1.6
97.02896	2.0
97.10201	0.3
99.04430	0.3
100.02530	0.2
105.04520	0.6
105.07030	0.2
105.82022	0.2
107.04958	100.0
108.05264	0.8
109.02895	1.3
109.10155	0.7
115.97565	0.2
119.04949	0.6
127.03923	2.6
145.04947	1.2
147.04410	3.1
147.05530	0.2
163.26724	0.2
177.05563	0.2
239.23709	2.4
257.24731	0.4
335.25644	0.2
365.26874	0.3
383.27942	3.4
401.28995	8.5
402.29318	0.2
547.32764	0.4
850.53595	0.5
874.33081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.2
67.94783	0.2
69.03436	1.6
69.07065	0.6
71.08637	1.9
71.30447	0.2
71.49165	0.3
76.75562	0.2
77.03917	0.6
77.75106	0.2
79.05502	2.1
81.03411	1.9
81.07053	1.1
83.08624	0.8
84.25764	0.2
85.02904	1.7
85.10187	1.0
91.05495	0.6
93.07020	0.4
95.04960	1.5
95.08617	1.5
97.02896	2.1
97.10185	0.3
99.04476	0.3
101.26955	0.2
105.04533	0.7
105.81222	0.2
107.04959	100.0
108.05305	1.1
109.02886	1.3
109.10152	0.8
119.04932	0.6
123.04417	0.2
123.11656	0.4
127.03920	2.7
145.04977	1.2
147.04411	3.4
177.05504	0.2
239.23708	2.5
257.24774	0.4
266.68585	0.2
288.05930	0.4
383.27975	3.0
401.29044	7.4
547.32715	0.5
716.50592	0.3
850.53638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.2
65.44547	0.3
67.05500	0.7
69.03429	4.0
69.07056	2.4
69.82542	1.5
70.06587	0.7
71.04994	0.6
72.08155	0.6
73.02911	1.4
77.03918	0.3
77.54683	0.3
79.05496	2.3
81.03426	2.5
81.07062	1.8
82.06593	0.3
83.08632	0.5
84.08144	0.6
85.02907	8.1
85.06545	0.5
86.06070	7.5
87.04462	2.7
91.03999	0.3
93.07047	1.2
95.04961	1.7
95.08607	1.1
96.08137	3.6
97.02887	3.7
97.06513	0.4
98.06066	0.8
98.09701	0.8
98.20776	0.4
99.04484	1.5
100.09900	0.3
105.04511	0.6
105.07048	0.8
107.04958	100.0
107.08582	1.1
108.05296	1.2
108.08137	1.5
109.02873	1.4
109.06496	0.7
109.10146	0.7
110.09689	0.7
114.09126	0.4
116.10744	3.4
121.10135	0.6
122.09654	0.8
123.08073	0.6
123.11636	0.4
124.07587	1.4
124.11233	0.7
126.09172	0.4
127.03909	2.4
136.11194	0.9
138.09171	0.4
140.10770	0.3
142.08641	8.3
145.04973	1.3
149.13220	0.6
151.11172	2.1
152.10710	0.8
152.14345	0.6
154.12305	1.5
166.15947	2.2
169.12170	0.5
178.12146	0.3
181.10078	0.3
194.15373	2.3
209.70753	0.3
210.18509	0.4
212.16460	46.4
213.16837	1.2
238.18022	10.7
256.19086	38.8
257.19531	0.5
310.23795	0.3
328.24774	0.5
362.23315	2.4
363.25476	0.5
374.21741	60.2
375.22025	1.5
401.54736	0.3
406.29407	0.4
418.24384	3.3
424.30560	9.0
480.25696	0.5
513.18811	0.4
524.28552	13.0
525.28882	0.6
530.34125	0.5
586.35803	7.5
642.31146	2.4
686.33795	1.8
692.39880	1.2
854.45380	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	854.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.5
65.03936	1.9
67.05508	56.0
69.03435	1.8
69.07066	5.2
69.28468	7.5
71.04987	3.7
71.08640	15.5
71.88250	0.8
73.02903	3.1
79.05483	2.2
81.03420	1.2
81.07056	15.5
83.08622	8.0
85.02899	10.1
85.06559	1.1
85.10183	10.1
89.06026	1.0
91.03967	5.2
91.05503	4.0
93.07048	3.4
95.08604	13.9
97.02897	6.6
97.10190	4.5
99.08029	0.8
102.20426	0.7
103.07576	1.4
105.07037	0.9
107.08561	1.7
109.10160	61.7
110.10503	0.9
111.08087	2.3
111.11681	1.0
118.08730	0.7
119.08567	4.3
123.11707	2.3
127.03921	2.7
137.09630	2.9
145.04942	3.4
155.10715	4.9
155.11732	0.9
163.06027	2.3
173.11751	15.8
182.59154	0.8
187.89496	0.7
212.27478	0.8
229.14360	100.0
230.14752	2.1
285.28070	1.3
335.25781	1.3
341.30521	74.2
342.30872	2.2
489.35757	2.3
495.40460	64.9
496.40598	2.2
586.57019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	37.8
65.03955	2.4
67.05509	65.2
69.03433	6.2
69.06731	1.3
69.07070	13.6
70.06596	13.5
70.93672	1.5
70.93994	1.1
71.04986	3.2
71.08636	1.3
72.08154	0.9
73.02924	17.5
75.04494	1.3
79.05495	38.6
81.03418	3.7
81.07059	79.8
83.04930	1.0
83.08612	7.1
84.08116	1.1
85.02911	50.5
85.06566	1.9
86.09702	11.1
87.04475	1.3
91.03959	43.9
91.05486	22.4
93.07048	47.4
95.04974	2.3
95.08610	55.2
97.02309	1.5
97.02900	24.9
97.06515	2.8
97.10148	4.3
99.04432	2.9
99.08054	3.3
105.07041	16.6
107.04913	1.3
107.08596	34.2
109.02851	1.1
109.06519	1.5
109.10164	32.6
111.08083	2.1
113.09659	1.5
115.03926	2.2
117.07011	10.0
119.08571	13.4
121.10152	36.3
123.08043	2.6
123.11710	19.6
125.09631	1.7
127.03931	19.6
129.05486	1.2
131.08569	18.3
133.10147	12.8
133.72635	0.9
135.11702	26.2
136.07530	2.0
137.05901	1.2
137.09586	2.0
137.13249	7.9
139.11235	1.2
141.10173	2.7
145.04968	25.6
145.10127	15.2
145.62389	1.0
147.11697	11.7
149.13275	22.0
151.11226	1.7
151.14813	2.5
153.12648	1.1
159.09143	2.4
159.11708	12.5
161.13264	10.6
163.06017	49.5
163.11243	1.1
163.14835	15.9
165.12767	4.0
169.09758	1.5
173.13280	15.4
175.14867	4.1
177.12689	1.5
177.16335	5.6
179.14308	3.4
183.14896	1.7
187.14845	7.9
201.16292	2.7
205.15805	1.8
211.14484	2.0
215.17847	2.5
219.17462	1.4
233.22646	4.3
243.21101	39.2
259.87793	1.0
261.22150	100.0
262.22360	2.6
279.23309	4.6
317.24680	1.8
325.11301	2.6
335.25815	37.4
336.26178	1.3
353.26874	67.2
354.27185	2.8
387.67123	1.0
479.29712	1.2
497.31094	10.0
626.74695	1.3
730.69830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	68.9
64.54903	2.5
65.03953	2.6
65.11161	2.6
67.05512	71.8
69.03432	11.7
69.07065	15.1
70.06590	15.5
71.05004	5.9
71.47953	4.2
71.48643	2.6
72.08176	4.4
73.02919	26.2
79.05493	39.8
81.07061	78.1
83.04970	2.8
83.08619	7.3
85.02911	96.4
86.09715	12.8
91.03419	5.2
91.03961	82.3
91.05473	21.8
93.07054	51.1
95.04964	2.8
95.08607	64.3
97.02898	45.3
97.06520	2.9
97.10125	3.3
99.04428	4.9
99.08068	5.6
105.07028	16.5
107.04955	6.4
107.08591	31.7
109.02900	5.4
109.06522	3.9
109.10174	33.1
111.08082	5.3
115.03958	3.8
117.07043	9.0
119.08586	15.6
121.10158	36.8
123.11720	14.9
127.03911	34.5
131.08560	22.2
133.10118	15.9
135.11714	27.1
137.13272	7.9
141.10265	3.1
145.04974	50.7
145.10153	17.6
147.11696	11.9
149.13272	24.6
159.11665	18.2
161.13246	10.6
163.06024	99.4
163.14825	15.2
167.06992	3.6
169.09764	3.0
173.13336	15.7
175.14862	4.4
177.16425	5.2
187.14902	5.3
201.16336	4.0
211.62350	2.8
219.17390	3.1
233.22588	4.5
243.21132	34.4
247.29288	3.0
261.22156	100.0
279.23361	6.8
323.47086	3.2
335.25803	35.3
347.44559	2.9
353.26962	57.0
497.30972	9.4
587.85291	3.1
673.23236	3.2
734.51996	3.6
803.13849	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	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	49.9
65.03938	4.7
67.05509	77.2
69.03421	8.0
69.07075	13.0
70.06591	8.0
71.04968	3.3
71.48714	4.1
71.92212	2.2
73.02929	15.5
79.05496	38.7
81.03403	5.0
81.07059	89.2
83.08603	8.3
85.02908	69.8
85.06528	2.3
86.09705	7.1
91.03418	4.5
91.03958	62.1
91.05469	25.9
93.07044	51.9
95.04967	4.9
95.08611	65.5
97.02304	3.2
97.02898	32.8
97.06545	3.5
97.10162	4.9
99.04456	5.0
103.03964	2.6
105.07039	22.6
107.04957	2.5
107.08601	40.3
109.02914	2.9
109.10161	38.1
109.55611	2.7
111.08130	2.2
113.40058	2.3
115.03969	3.1
117.07028	9.1
119.08586	16.2
121.10149	38.2
123.08036	3.2
123.11704	17.5
127.03932	25.4
131.08569	19.8
133.10106	16.4
135.11708	28.0
137.13257	9.9
145.04979	33.4
145.10130	13.3
147.11650	12.1
149.13271	23.2
151.14774	3.3
157.10127	2.5
159.11722	16.4
161.09685	2.7
161.13252	14.3
163.06024	54.7
163.07387	2.8
163.14827	14.2
165.12801	3.6
173.13318	19.3
175.62210	2.3
177.16385	6.2
179.14305	3.9
187.14848	10.4
201.05794	2.6
201.16428	2.6
221.00470	2.5
233.22693	3.4
243.21092	40.8
244.21339	2.4
261.22153	100.0
262.22479	2.7
263.23624	2.5
279.23138	5.9
325.11124	4.0
335.25891	33.4
349.23792	3.7
353.26880	75.4
365.23486	3.0
461.28937	2.4
497.30823	5.8
847.85773	2.8
856.54718	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.1
61.42063	2.5
65.03924	7.0
67.05508	71.5
69.03422	11.0
69.07076	34.2
70.06580	2.0
71.04978	7.7
74.51463	2.3
79.05495	62.7
81.03428	16.3
81.07057	100.0
82.07393	2.2
83.04984	11.5
83.08617	18.9
85.02895	6.6
85.06544	4.1
91.05481	60.4
92.05804	2.4
93.07046	69.1
93.07639	3.4
94.45107	2.4
94.75890	2.2
95.04954	19.0
95.08600	39.5
97.02911	5.5
97.06526	16.4
97.10165	8.7
97.82970	2.0
99.04440	3.9
99.08075	3.7
102.11772	2.1
105.04497	2.4
105.07036	47.5
107.04967	16.7
107.08595	41.4
109.06531	11.7
109.10136	12.1
111.04463	3.5
111.08092	4.7
115.05478	2.9
117.07027	22.3
119.08573	32.4
121.06499	8.9
121.10164	23.9
123.08038	6.5
123.11708	6.3
125.09604	7.6
127.03922	6.0
128.06223	2.3
129.06958	10.2
130.07808	2.8
131.08565	29.5
133.06552	3.1
133.10127	29.2
135.08046	9.0
135.11723	15.6
137.09618	6.4
139.58916	2.2
143.08536	9.0
145.10135	23.9
147.11713	18.1
149.09627	21.5
149.13254	15.1
151.11224	4.3
155.08548	4.4
157.10107	4.8
159.11678	16.5
161.13312	5.1
163.11197	16.0
165.12747	3.6
169.10130	7.4
171.11658	4.3
173.13216	4.8
177.12802	5.8
179.14264	4.0
183.11707	4.9
187.14755	2.6
187.16330	2.3
195.13802	7.1
197.13245	4.2
201.12639	2.5
205.12091	2.8
223.13205	3.7
227.12798	6.2
229.14296	2.9
239.17914	6.4
247.20587	4.1
255.15926	8.6
257.16519	2.3
257.18835	11.6
267.15915	3.6
269.17502	37.5
273.18872	2.9
275.20053	54.1
275.22827	4.3
277.21426	2.5
289.00919	2.4
291.19635	2.4
293.21176	12.1
340.04312	2.0
349.23792	43.3
365.23569	3.2
367.24786	29.3
449.29077	15.2
463.30664	22.3
525.35870	3.5
529.35779	5.0
543.36774	27.7
561.37726	6.7
607.35956	3.0
623.42920	7.5
641.44379	12.4
659.44928	6.8
856.55139	6.8
857.44629	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.1
65.03941	4.4
65.49200	2.4
67.05508	68.8
69.03433	6.0
69.07072	23.0
70.06578	5.9
71.04985	8.2
71.27203	3.2
71.48502	3.0
71.48893	3.6
79.05496	83.4
81.03422	6.5
81.06596	4.8
81.07062	74.7
83.04993	4.8
83.08622	16.7
85.02901	10.2
85.06538	8.7
86.09702	6.5
91.05484	100.0
93.07046	81.0
95.04990	13.5
95.08614	54.2
97.02901	6.4
97.06529	10.6
97.10162	5.0
99.08091	16.5
103.05470	6.5
103.30214	3.1
105.04494	3.2
105.07037	84.7
107.04955	8.3
107.08601	44.3
108.30918	3.0
109.06522	16.1
109.10181	19.3
111.08057	8.0
111.93134	3.1
113.06030	4.0
113.09667	3.5
115.05466	12.2
117.07025	50.3
119.08591	63.7
121.06493	4.4
121.10168	25.2
123.08074	4.2
123.11695	3.6
125.09649	5.9
127.03951	4.1
127.07562	3.1
128.06247	14.8
129.05566	3.2
129.07011	40.2
130.07802	6.2
131.08578	65.9
133.10136	39.9
135.08047	5.4
135.11693	15.4
137.09631	5.6
141.06984	14.9
142.07767	6.6
143.08565	31.7
144.09322	3.2
145.06465	3.4
145.10139	50.8
147.11731	22.9
149.09613	11.5
149.13219	6.7
152.06392	2.6
153.06975	4.9
154.07739	3.7
155.08553	22.0
157.10124	31.2
159.11690	38.3
161.09647	9.1
161.13246	8.8
163.11211	11.1
167.08533	8.4
168.09413	5.1
169.10121	24.3
170.10875	3.5
171.11691	21.6
173.09775	2.9
173.11856	4.1
173.13211	16.2
175.14835	4.4
175.86690	3.1
177.12695	4.4
179.08539	4.5
181.10104	13.6
182.10834	3.9
183.11723	18.7
185.09621	3.7
185.13292	40.9
187.14880	5.6
191.14313	4.3
193.10132	5.7
195.11752	12.2
197.13322	14.3
199.14780	3.9
201.12749	5.1
201.16422	5.9
203.14360	8.7
205.15758	3.2
207.11694	7.6
209.13263	7.3
211.14771	9.8
217.15796	3.4
219.17473	6.7
221.13280	5.5
223.14844	5.5
227.12794	3.3
233.13327	4.3
237.16418	7.8
239.17921	13.9
249.16339	4.1
255.17497	4.2
257.18961	19.7
259.20654	4.7
263.18137	3.2
268.33371	2.9
273.18509	7.7
275.20126	34.6
291.19614	5.0
300.73236	3.2
331.22852	3.5
336.69165	2.9
337.25345	3.9
347.22116	5.5
349.23782	39.6
373.35239	3.0
391.90161	2.9
459.32455	4.8
473.33847	3.0
497.32294	4.8
513.36865	5.8
527.36969	3.4
531.38568	4.3
551.37061	10.0
553.39240	5.0
565.39203	5.1
569.38354	7.8
605.41718	10.5
623.43469	27.6
641.43945	8.3
703.75171	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55493	2.1
61.02924	5.4
65.03940	7.6
67.05508	83.9
69.03442	11.0
69.07071	38.4
70.06596	3.6
70.71847	2.3
71.05002	5.4
71.48642	3.7
77.03926	3.1
79.05494	73.9
81.03420	14.2
81.07059	100.0
83.04980	11.6
83.08623	17.4
85.02888	5.1
85.06551	6.7
91.05483	74.4
93.07047	67.8
95.04974	18.1
95.08614	42.0
97.02876	7.1
97.06545	17.8
97.10182	14.5
99.08116	4.2
105.04473	3.0
105.07034	63.4
107.04950	21.4
107.08601	45.7
109.02924	4.4
109.06553	18.1
109.10156	17.7
111.08081	6.9
113.06000	3.1
117.07018	27.9
119.08581	45.2
121.06508	8.9
121.10132	21.8
123.08083	7.6
123.11737	8.8
125.09637	13.4
127.03928	4.1
128.06195	2.9
129.07033	12.8
130.07803	3.1
131.08574	37.2
133.06488	4.0
133.10146	34.9
135.08057	7.5
135.11707	17.3
137.09555	4.7
141.07001	3.4
143.08575	10.9
145.10127	31.2
147.11702	21.2
149.09619	21.1
149.13231	11.4
151.11230	3.3
153.09108	2.5
155.08556	5.9
157.10135	13.6
159.11700	26.0
161.09645	2.3
161.13252	7.5
163.11203	9.7
163.14912	2.7
165.12779	3.8
169.10104	8.0
171.11685	12.4
173.13274	12.1
174.12793	2.4
175.11227	4.1
175.14804	3.6
177.12817	5.0
179.14365	5.9
183.11674	4.5
185.13290	9.5
186.83220	2.2
187.11215	2.6
187.14809	4.0
189.11276	5.8
193.00230	2.8
193.05054	2.4
195.13837	3.5
197.13263	7.0
209.13443	2.2
211.14822	3.2
219.17479	2.8
227.12726	14.6
229.14314	3.0
229.19511	3.7
239.17935	7.2
244.99699	2.4
247.20535	4.5
255.15977	6.7
257.18991	19.0
267.15991	3.3
269.17355	20.1
273.99097	2.4
275.20071	63.5
293.21170	9.9
303.16342	2.9
329.24850	2.3
331.22726	6.4
349.23773	56.2
350.24429	2.1
360.25385	3.1
367.24838	21.1
426.32861	7.0
445.29553	2.5
449.28952	8.3
451.32193	2.9
463.30487	13.8
525.35565	3.1
529.35291	8.8
543.36737	23.7
561.37714	7.4
623.42828	10.1
627.09546	2.6
641.44104	17.2
770.72620	2.9
856.55170	10.1
857.45959	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.3
65.03947	3.7
67.05505	100.0
69.03424	4.6
69.07077	16.4
71.05004	4.9
71.13623	5.0
73.02905	2.6
79.05492	42.0
81.03413	9.2
81.07056	55.8
81.07530	3.2
83.04976	8.4
83.08623	12.7
85.02917	11.3
87.04462	2.3
91.03417	1.9
91.05475	25.7
93.07050	43.0
95.04968	6.0
95.08612	36.5
97.02885	3.7
97.06515	4.9
97.10187	13.7
99.08070	3.0
105.07023	16.0
107.04974	4.5
107.08595	25.0
109.10157	53.9
117.07022	8.9
119.08572	14.8
121.10136	19.9
122.77930	2.2
123.08038	2.2
123.11697	5.3
125.09613	13.5
131.08527	10.3
133.10139	9.3
135.11690	16.4
145.10143	8.3
147.08043	2.7
147.11688	6.7
149.13258	6.9
153.12788	3.0
155.10695	5.9
159.11737	5.7
161.13263	3.9
163.11180	7.6
168.06647	2.2
173.11748	15.4
173.13118	3.9
175.14857	2.8
181.12270	3.7
193.12206	3.2
199.13249	7.1
209.11755	5.0
216.61143	1.9
217.85768	2.2
221.53836	2.1
227.12909	3.8
229.14337	40.8
243.21130	4.0
257.13876	2.1
261.22122	14.3
267.15909	2.9
301.16437	7.9
335.25775	71.3
341.30338	2.3
399.23840	8.6
477.35733	7.4
489.35562	16.3
561.37750	4.7
659.45172	15.9
848.56055	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.4
65.03943	4.2
67.05507	73.4
69.03433	7.2
69.07072	34.2
70.06602	2.1
71.04993	5.4
71.17991	1.3
71.49020	1.3
73.02940	1.8
79.05497	67.4
81.03426	12.2
81.07059	100.0
83.04987	13.6
83.08620	16.0
85.02896	5.6
85.06539	4.6
86.81397	1.1
91.03927	1.5
91.05486	68.7
93.07044	66.2
93.07648	2.3
95.04974	13.4
95.07990	2.0
95.08610	42.4
97.02910	4.0
97.06539	16.8
97.10178	8.6
99.04445	1.4
99.08093	4.5
103.05468	2.9
105.04563	2.8
105.07035	57.5
107.04949	16.1
107.08598	39.4
109.02899	2.1
109.06519	14.2
109.10156	16.9
111.04488	1.2
111.08083	6.9
113.09654	2.4
115.05432	3.0
117.07022	26.4
119.08591	42.3
121.06505	7.4
121.10144	17.4
121.83596	1.1
123.08071	6.0
123.11710	7.5
125.09643	6.3
127.03943	2.2
128.06264	4.2
129.05508	1.9
129.07004	13.5
131.08571	28.5
133.06502	2.9
133.10132	29.6
133.11101	1.8
135.08069	6.2
135.11700	15.6
137.09612	3.4
137.13239	1.6
139.11209	1.9
141.07014	3.4
142.07860	2.9
143.08586	10.9
145.06442	2.9
145.10123	26.6
147.08066	2.5
147.11691	21.6
149.02365	1.3
149.09612	15.8
149.13264	12.3
151.11195	2.2
155.08542	6.4
157.10133	12.3
159.11700	22.0
161.09589	3.2
161.13229	7.8
163.11177	10.9
165.12753	3.0
168.09349	1.9
169.10149	7.0
171.10335	1.6
171.11661	6.2
173.04465	1.7
173.09703	2.0
173.13283	10.7
175.11220	5.1
175.14824	2.9
177.12791	5.8
179.14343	5.2
181.10118	1.6
181.12233	2.2
183.11725	5.6
185.09634	1.3
185.13281	12.3
187.11211	2.2
187.14816	2.7
189.11223	2.7
189.12808	1.5
191.14374	1.4
193.12193	1.4
195.11873	2.2
195.13821	4.6
197.13298	5.0
199.14806	1.3
201.12738	2.1
201.16423	2.0
203.14354	3.9
205.15871	2.0
209.13293	2.2
211.14796	3.2
215.17905	1.8
217.15849	1.4
219.17455	2.5
223.14896	1.3
227.12738	7.3
229.19498	4.4
237.16541	1.8
239.18039	6.7
247.20564	4.5
251.16310	1.8
255.15744	8.7
257.19022	20.2
259.20648	1.5
267.15894	4.9
269.17499	23.9
273.18445	1.4
275.20071	54.3
276.20422	1.6
279.16397	1.3
279.19394	1.9
291.19601	1.5
293.21146	8.9
303.19571	1.3
331.22614	5.4
349.23746	48.6
367.24799	20.1
425.32452	1.5
449.29050	9.5
463.30557	15.6
511.34201	1.7
525.35834	3.6
529.35211	4.3
543.36768	16.9
549.38904	2.1
561.37640	2.2
623.43091	10.5
641.44031	16.1
791.44720	1.4
855.82153	1.4
856.54321	3.7
857.46094	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	856.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.2
67.05506	100.0
69.03413	6.5
69.06738	2.2
69.07069	23.5
69.13563	3.7
69.13963	18.8
71.04991	12.0
74.41674	2.0
79.05492	60.3
81.03419	10.8
81.07059	92.4
83.04967	7.1
83.08640	12.2
83.09081	2.5
85.02882	2.6
85.06541	5.2
91.05482	49.3
93.07047	66.5
95.04981	10.2
95.08607	60.4
97.06518	9.3
97.10166	6.0
105.04494	2.9
105.07040	37.5
107.04936	6.4
107.07890	2.7
107.08591	41.2
109.06487	6.6
109.10158	37.8
111.08083	3.2
116.07021	2.6
117.07029	17.2
119.08575	23.0
121.10130	25.9
123.11698	6.9
125.09624	6.8
127.03906	2.0
129.06999	7.3
131.08577	20.3
133.10130	26.4
135.08012	2.9
135.11691	16.8
137.09581	4.6
143.08566	8.1
145.10139	19.7
147.11734	10.7
149.09630	7.4
149.13264	13.3
151.11186	3.1
155.08534	3.4
157.10126	5.5
159.11745	13.5
161.13206	7.3
163.11171	4.3
163.14851	3.3
169.10153	2.9
171.11716	4.1
173.11765	4.8
173.13229	8.5
175.11163	2.5
175.14809	3.0
177.12721	2.4
180.57922	2.0
183.11749	2.8
185.13243	2.0
187.14865	3.1
189.11325	3.2
195.13789	2.7
199.14835	4.0
203.14153	2.4
222.15161	2.2
227.12753	5.9
229.14349	26.8
243.21104	5.8
257.18958	5.9
261.22076	13.9
267.15878	6.5
269.17474	10.8
275.20081	21.3
300.02103	2.1
309.80191	2.6
331.22504	2.6
335.25790	84.6
349.23746	19.4
413.21683	6.6
453.24567	3.1
489.35706	24.9
527.37146	4.8
529.38916	88.1
530.39166	5.7
545.37390	2.4
569.42175	24.5
570.41779	2.6
609.45154	27.8
641.47681	11.6
673.42322	7.3
828.08905	2.7
857.46045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
67.05510	3.1
69.03424	2.2
69.07062	1.8
69.32178	2.1
69.32603	2.2
69.55715	0.5
70.06614	0.6
71.05004	0.8
73.02913	3.0
79.05494	4.5
81.03432	0.8
81.07066	4.4
83.04999	0.6
83.08636	0.8
85.02912	3.3
91.03969	1.7
91.05491	4.8
93.07048	5.2
95.04992	1.1
95.08609	3.1
97.02895	3.4
97.06532	0.6
101.02380	1.1
105.07039	4.1
106.65738	0.5
107.08613	2.2
109.02890	0.8
117.06995	1.2
119.08597	2.2
121.10162	1.0
127.03967	1.0
129.07025	0.9
131.08595	2.3
133.10158	1.6
143.08563	1.0
145.10165	1.1
147.11751	1.3
148.86252	0.6
157.10107	0.8
161.13239	0.7
191.42252	0.5
192.48145	0.5
194.51811	0.5
234.56618	0.6
236.31760	0.5
243.08447	2.7
247.12871	1.0
333.20303	4.7
346.18472	0.7
398.11871	0.6
463.23306	0.8
465.20996	6.7
491.11929	0.5
551.28369	10.0
775.41931	2.1
861.49683	100.0
862.49872	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
67.05505	5.0
69.03432	3.0
69.07079	2.4
69.30050	1.3
69.30475	1.8
71.01344	0.4
73.02920	3.3
73.69904	0.3
79.05492	3.6
81.03416	1.9
81.07059	6.6
83.04993	1.2
83.08640	0.8
85.02912	3.9
85.06554	0.4
88.87400	0.5
91.03973	2.3
91.05488	3.9
93.07057	3.4
95.04987	1.3
95.08616	2.9
97.02906	3.0
97.06548	1.1
97.10210	0.7
97.68488	0.4
98.20801	0.8
99.04468	0.7
101.02393	1.8
105.07036	3.0
107.04940	0.5
107.08606	2.2
109.02880	0.5
109.06561	0.6
109.10210	1.2
117.07024	0.9
119.08562	2.2
121.10194	1.3
123.08115	0.4
123.11711	0.5
127.03944	1.2
129.07013	0.7
131.08577	1.6
133.10170	1.2
135.11720	1.1
145.10150	1.0
147.11743	1.5
149.09666	0.6
149.13293	0.6
152.05624	0.4
154.66104	0.4
157.10170	0.5
159.11766	0.9
163.11256	0.5
167.81175	0.4
175.17392	0.4
185.04286	0.8
199.85709	0.4
203.05359	0.6
227.95062	0.4
243.08447	3.0
275.20178	0.6
315.10529	0.5
333.20316	3.5
343.56287	0.4
357.61145	0.4
381.49063	0.5
381.53662	0.4
389.23145	1.4
423.19720	0.5
439.19510	1.3
453.21036	1.4
465.21027	1.3
469.20609	0.5
551.28271	12.7
552.30005	0.6
623.30884	0.6
763.42712	0.6
861.49670	100.0
862.50140	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	864.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.0
64.95697	2.6
65.03948	7.3
67.05508	100.0
69.03439	5.3
69.07072	31.8
71.05016	5.2
79.05498	72.0
79.09294	2.6
81.03410	4.9
81.07060	95.2
83.04993	5.5
83.08625	18.0
85.02917	5.8
85.06556	4.2
91.05489	43.1
93.07045	78.3
93.39249	2.3
94.07349	3.0
95.04987	8.3
95.08611	82.6
97.02866	4.7
97.06519	5.5
97.10197	12.6
99.08089	2.8
103.05456	7.9
105.04528	3.8
105.07030	32.5
107.04939	7.7
107.08591	33.9
109.06524	4.7
109.10162	31.2
111.08077	3.4
113.09637	3.9
115.05453	7.1
117.07004	15.1
119.08586	24.8
121.06535	6.3
121.10143	29.2
123.04434	30.8
123.08067	5.8
123.11731	8.3
125.09607	8.5
127.03928	3.8
128.06290	3.1
129.06992	13.7
131.04929	13.5
131.08583	16.4
133.06506	2.6
133.10124	19.6
135.04402	2.9
135.11711	17.8
137.05989	79.4
138.18932	2.3
141.07024	5.9
143.04913	4.2
143.08557	6.7
145.06477	16.6
145.10155	13.4
147.04425	4.8
147.07983	4.3
147.11697	11.3
149.06007	30.5
149.13243	9.0
151.03964	2.5
153.06982	4.0
155.08560	5.5
157.06528	13.2
157.10098	3.1
159.08061	6.2
159.11737	8.6
161.05989	52.4
161.09579	3.6
161.13313	9.5
163.03944	6.5
163.07550	21.5
165.05539	4.9
165.06943	2.6
167.08553	4.0
169.06523	5.7
169.10162	2.4
171.08073	8.3
171.11775	3.2
173.05992	86.1
173.09677	5.2
173.13246	6.7
175.03938	5.2
175.07561	38.3
175.14754	3.0
176.04710	4.7
177.05498	12.9
177.09094	5.4
181.05019	4.1
181.06522	6.4
183.08060	9.8
185.06055	3.1
185.09642	6.1
187.07552	41.2
187.14870	4.4
189.05472	14.0
189.09103	11.5
189.11293	2.7
191.07018	5.2
192.29843	3.0
195.08076	10.3
195.11639	3.8
197.09677	7.9
197.13327	4.3
199.07542	20.8
199.11273	3.2
201.05617	2.6
201.09160	18.4
203.07054	5.0
203.10739	3.7
207.08153	5.4
207.11852	4.8
209.09669	8.5
211.07542	15.3
211.11279	4.1
213.09146	17.2
213.12619	2.9
215.06999	3.3
215.10695	5.7
217.08560	4.1
221.09590	3.0
223.07593	6.2
223.11157	3.5
225.09122	7.6
225.12807	6.1
227.10725	8.3
229.08722	3.1
229.12332	3.7
229.58881	3.1
235.11211	9.5
237.09200	7.2
237.12759	3.5
239.10692	6.0
241.12206	6.4
241.19397	5.6
243.13815	12.4
243.21234	3.1
247.11061	2.9
249.12761	3.1
251.10768	5.3
251.14186	5.5
253.12283	9.2
255.14014	4.3
259.20593	10.9
261.22137	8.3
263.14255	3.0
267.13611	4.9
267.19806	3.8
269.15335	5.5
271.13385	3.2
273.14917	7.1
279.13861	8.4
281.15219	2.9
287.12790	30.0
289.14346	75.5
297.14905	8.1
299.16391	3.5
301.17999	3.5
305.13586	2.8
315.15848	16.1
333.17133	5.9
333.24231	11.1
335.25809	96.5
336.26212	4.5
351.19342	3.0
361.16647	4.7
363.18036	35.4
365.19849	7.7
371.18588	6.0
380.85114	2.8
389.19626	16.2
395.22113	2.8
401.23383	2.7
407.20660	26.9
425.21948	4.5
436.58630	2.5
503.35187	3.8
513.33496	4.4
527.28943	2.9
531.34937	20.5
549.35809	17.8
587.37177	3.9
605.38037	15.8
611.39288	3.6
613.41144	5.0
623.39417	99.6
624.39655	5.8
631.40155	5.1
641.31207	1.8
641.40515	36.1
649.40997	35.1
650.41138	3.8
667.42059	78.6
668.42120	5.3
685.43103	56.0
770.93146	3.3
829.46771	5.4
864.49695	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	864.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.7
65.03936	6.6
67.05511	98.9
69.03425	6.1
69.07069	29.3
69.71516	6.1
69.71918	8.6
70.64735	2.7
71.04980	6.4
73.02927	2.7
79.05495	67.4
81.06587	5.9
81.07055	90.8
83.04993	8.3
83.08629	21.8
85.02901	5.2
85.06536	3.6
91.05486	45.2
93.07053	67.7
95.04987	6.7
95.08610	81.5
97.02923	3.4
97.06527	6.5
97.10167	12.8
98.20750	2.7
103.05469	10.3
105.04570	4.5
105.07044	25.9
107.04961	8.8
107.08601	32.6
109.06524	4.9
109.10159	29.8
115.05460	6.9
117.07009	18.9
119.08575	21.8
121.06526	3.2
121.10139	24.0
123.04437	30.3
123.08073	7.7
123.11729	9.2
125.09644	7.0
128.06252	5.2
129.07028	11.5
131.04953	16.1
131.08578	16.8
133.06509	6.0
133.10168	17.0
135.04364	3.4
135.08066	3.4
135.11705	12.7
137.05989	84.9
137.09612	2.9
141.07033	7.8
143.04933	6.8
143.08586	4.8
145.06435	13.4
145.10133	14.2
147.04460	8.4
147.08057	2.9
147.11717	9.5
149.05983	37.2
149.13321	7.4
151.03961	3.5
153.06975	3.9
155.08649	6.3
157.06500	14.3
159.08102	6.3
159.11720	8.2
160.05179	3.5
161.05984	53.3
161.13248	8.6
162.30295	2.8
163.03859	9.0
163.07545	22.2
163.14844	3.3
165.05591	2.8
165.07018	3.0
167.08615	4.8
169.06407	5.0
171.08093	11.0
173.05986	100.0
173.09634	4.4
173.13251	6.8
175.07545	44.4
176.04639	6.0
177.05495	10.5
177.09160	5.9
179.08598	5.5
181.06485	7.9
181.10226	3.4
183.08101	9.1
185.06073	4.0
185.09595	3.3
187.07538	51.3
189.05508	10.9
189.09091	7.5
191.07094	3.6
195.08063	12.2
197.05957	6.2
197.09645	6.7
197.13194	3.3
199.07539	24.3
199.14796	3.2
201.09100	21.0
203.07077	5.6
203.10677	4.8
207.11647	4.9
209.09712	6.3
211.07590	14.5
211.11157	3.4
213.09085	15.0
215.10628	4.9
223.07512	6.1
223.11183	6.2
225.09134	7.0
225.12782	8.9
227.10762	6.2
229.12421	2.9
233.09549	3.3
233.13170	3.1
235.11217	6.1
239.10773	5.8
241.12294	8.6
243.13734	13.4
243.21147	3.5
253.12267	10.5
259.20706	7.9
261.22153	7.3
265.12238	5.5
267.13681	3.4
269.15442	4.6
271.13232	4.4
273.14969	2.9
273.22217	3.8
279.13806	8.1
285.14819	4.4
287.12762	25.9
289.14346	90.2
297.14886	12.1
315.15891	21.4
323.16534	4.6
333.16986	4.0
333.24319	8.0
335.25793	68.3
363.18024	35.6
365.19852	5.8
371.18735	7.4
373.20029	3.9
389.19724	20.1
407.20676	25.1
418.23279	3.0
418.28879	2.8
513.33795	5.2
531.34924	22.1
549.35938	16.7
557.36066	7.4
587.37061	4.4
595.39386	4.9
605.38818	17.6
613.39905	4.7
623.39514	80.7
624.39856	4.8
631.39569	5.4
641.40594	30.2
649.41083	45.1
667.31036	4.6
667.42047	82.1
668.42499	6.1
685.42944	45.0
864.49951	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	866.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.8
61.32150	0.6
65.03904	0.7
67.05508	37.2
67.94627	0.5
69.03400	1.8
69.07071	14.6
69.56652	2.9
69.57069	1.1
71.04967	2.5
71.08633	16.9
73.02892	2.6
73.23289	0.6
79.05493	18.1
81.03404	1.5
81.07058	49.3
83.04995	3.1
83.08175	0.8
83.08622	14.1
85.02906	8.9
85.06503	2.4
85.09750	0.8
85.10183	11.4
89.05997	0.7
91.03956	4.2
91.05476	9.0
93.07047	30.8
95.04945	1.8
95.08606	19.1
97.02906	3.4
97.06526	7.1
97.10167	3.7
99.04434	0.9
99.08049	1.8
99.11702	0.7
103.07539	0.9
103.47357	0.6
105.07035	2.9
107.04941	0.7
107.08598	18.5
109.06461	1.1
109.10159	7.1
111.08059	4.7
111.11717	0.9
113.05975	0.6
117.07046	3.7
119.08558	0.8
121.09326	0.9
121.10148	12.6
123.11707	4.1
127.03890	1.3
127.07587	0.6
131.08598	5.0
133.10138	3.5
135.11690	5.4
137.13237	1.5
139.11179	0.9
145.04933	2.4
149.13255	22.4
159.11711	8.8
163.06000	1.5
167.14252	1.1
173.67963	0.6
174.07381	0.6
177.12764	4.4
195.13860	6.8
213.14877	0.9
239.23741	1.2
257.24820	1.4
269.17490	95.8
270.17871	1.5
272.05353	0.6
313.27371	50.2
314.27530	0.7
507.40469	100.0
508.40854	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	871.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.9
67.05520	2.9
69.03419	3.4
69.07068	1.2
71.01333	0.8
71.08645	1.6
71.49049	0.6
73.02925	3.6
73.25891	0.6
79.05510	1.0
81.03436	1.3
81.07056	3.7
83.08610	0.8
85.02914	6.8
85.10194	0.9
91.03966	3.2
91.05489	1.2
93.07073	1.8
95.08614	2.6
97.02909	4.6
101.02385	1.5
101.81025	0.5
105.07053	0.6
107.08600	1.1
109.02893	1.3
113.19373	0.5
121.10193	0.8
124.35433	0.5
127.03943	1.7
127.47414	0.6
135.11646	0.8
149.13284	1.8
170.55632	0.6
185.04327	1.3
203.05365	1.0
230.26396	0.6
235.13240	1.0
243.08504	1.6
245.54237	0.6
274.73239	0.6
291.15909	0.8
296.56290	0.6
312.05600	0.5
313.27390	0.7
329.28165	0.5
347.09677	2.3
405.13693	4.3
453.20871	8.1
497.30676	4.6
615.26385	7.0
659.36060	3.9
709.45313	2.4
871.50250	100.0
872.50635	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	872.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.2
65.90752	0.1
67.05506	1.7
67.27572	0.1
69.03428	0.9
69.07067	0.4
69.66114	0.1
70.80272	0.3
71.05003	0.2
77.03922	0.5
79.05494	3.3
81.03413	1.5
81.07052	2.0
83.04964	0.3
83.08612	0.4
85.02908	0.6
89.03090	0.1
91.05479	1.6
93.07033	1.4
95.04965	1.6
95.08607	1.3
97.02885	0.5
97.06519	0.3
97.10154	0.1
99.04465	0.3
103.03925	0.1
104.26877	0.1
105.04511	0.8
105.07034	1.3
107.04955	100.0
107.08586	0.9
108.05273	1.0
109.02898	0.3
109.06527	0.2
109.10143	0.6
111.04446	0.3
111.08054	0.1
115.05521	0.2
117.07045	0.5
119.04932	0.9
119.08593	0.9
121.06503	0.3
121.10157	0.9
123.04420	0.2
123.08029	0.2
123.11702	0.3
127.03877	0.2
128.06267	0.1
129.07007	0.3
131.04938	0.2
131.08566	0.7
133.06500	0.5
133.10100	0.6
135.08064	0.3
135.11693	0.4
141.07002	0.2
142.26358	0.1
143.08557	0.6
145.06499	0.5
145.10104	0.7
147.04413	3.1
147.05544	0.2
147.08061	0.2
147.11676	0.6
149.13260	0.3
156.78203	0.1
157.06500	0.6
157.10143	0.4
159.08066	0.3
159.11699	0.5
161.09637	0.3
161.13275	0.3
167.08537	0.2
169.10155	0.4
171.08049	0.5
171.11697	0.3
173.06004	0.2
173.09669	0.3
173.13318	0.4
175.07388	0.1
181.06488	0.2
183.08049	0.2
183.11678	0.1
185.09645	0.3
185.13290	0.3
187.11203	0.3
187.13351	0.1
187.14830	0.3
189.12721	0.1
195.08038	0.2
197.09602	0.2
199.11217	0.3
199.14780	0.2
201.12769	0.3
209.09727	0.2
211.11211	0.3
211.14987	0.1
213.09230	0.1
213.12744	0.2
223.11137	0.1
225.12691	0.2
231.13992	0.1
235.13316	0.1
241.16112	0.1
251.14146	0.1
259.20584	0.2
261.22131	0.3
265.15759	0.1
273.22208	0.2
277.21799	0.3
285.22241	0.2
287.05478	0.8
288.05789	0.5
291.23163	0.3
297.18774	0.1
301.21652	0.2
303.23154	0.4
313.21933	0.1
315.23239	0.2
323.23758	0.2
327.23196	0.2
341.24820	0.2
351.23196	0.3
359.26050	0.1
365.24689	0.2
367.26285	0.5
369.24167	1.1
387.25339	1.5
391.26328	0.4
405.26331	1.1
409.27097	0.1
419.32422	0.1
423.27426	0.6
429.27805	0.1
433.27478	0.4
457.27170	0.1
475.28613	0.4
493.29669	0.4
511.30585	0.3
529.31866	0.2
569.31207	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	872.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	1.3
62.06097	0.4
67.05511	1.5
68.71464	0.3
69.03437	4.3
69.07075	10.0
69.46681	0.3
70.06600	1.7
71.05009	0.6
71.07359	0.4
71.08635	0.4
72.08163	2.1
73.02932	0.7
73.06556	1.1
73.39337	0.4
77.03938	0.4
79.05504	3.2
81.03419	2.3
81.05803	0.6
81.07063	3.2
83.08633	1.5
84.04528	0.7
84.08166	0.6
85.02913	6.8
85.06561	0.8
86.06074	32.2
87.04473	1.2
91.03949	0.4
91.05491	1.0
93.07027	2.0
95.04991	2.0
95.08628	1.7
96.08136	9.5
96.08774	0.5
97.02889	3.1
97.06537	3.2
97.10164	0.4
98.06100	0.9
98.09707	4.3
99.04460	1.7
99.08112	0.6
101.11310	0.4
105.04519	0.8
105.07044	1.1
107.04962	100.0
107.08613	1.6
108.05311	2.1
108.08114	2.0
109.02885	1.9
109.06511	1.0
109.10159	1.3
110.09693	1.0
111.08066	0.5
112.07636	1.1
114.09175	1.3
115.07572	1.7
116.10738	40.3
117.11108	0.4
119.08572	0.6
121.10156	0.6
122.09680	1.2
123.11714	1.0
124.07602	2.0
124.11208	0.6
126.09184	1.1
127.03917	2.5
129.05510	1.7
131.04916	0.5
133.10107	0.7
134.09671	0.4
135.11664	0.4
137.05896	0.4
138.09154	0.7
140.10727	1.3
141.05447	0.5
141.09120	1.2
142.08647	17.8
143.08934	0.3
145.04898	0.6
147.06520	0.5
148.07620	0.4
149.13274	2.3
151.11223	1.0
152.10741	0.6
152.14372	0.6
154.12257	1.2
159.11678	0.5
160.10602	0.4
161.13274	0.4
164.07120	0.4
166.15947	0.8
167.14333	0.8
169.12172	0.6
170.11819	0.5
174.17841	0.3
176.14330	0.5
189.09033	0.4
194.15439	1.6
212.16469	69.2
213.16846	1.6
214.17979	1.3
230.17534	13.5
231.15909	3.5
238.18050	2.9
251.06172	0.3
256.19110	9.3
257.17410	0.7
278.15991	4.7
291.10617	0.5
308.22604	0.4
326.23230	1.5
328.24686	1.9
344.24310	1.6
357.19116	0.9
374.21756	33.3
375.22018	0.8
392.22827	13.3
424.30652	12.7
425.30457	0.6
433.32938	1.1
434.33420	1.6
435.33755	1.1
442.31714	14.9
462.61502	0.4
490.30380	1.8
506.29538	0.5
524.28546	1.0
536.26947	0.7
548.35968	0.4
586.35840	6.5
587.35986	0.5
596.34338	0.5
604.27545	0.5
604.36993	9.3
605.37299	0.6
612.33215	0.4
692.40070	2.1
710.40985	2.8
748.41791	0.4
758.39008	1.3
766.41693	0.6
793.74756	0.4
854.31165	0.5
854.45416	5.7
855.44800	0.4
872.46460	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	872.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	0.4
61.85389	0.2
65.49198	0.2
67.05499	1.6
69.03439	2.1
69.07076	6.4
69.19769	2.3
70.06588	0.9
71.04996	0.5
72.08173	1.9
72.81955	0.2
73.02907	0.4
73.06561	0.6
77.03931	0.5
79.05495	2.2
81.03413	0.8
81.07056	3.0
83.05000	0.4
83.08619	2.9
84.04510	0.3
84.08150	0.8
85.02910	2.3
85.06526	0.4
85.10168	0.3
86.06073	15.1
87.04474	0.4
91.05482	0.4
93.07043	1.3
95.04973	1.7
95.08617	1.7
96.08134	2.4
97.02893	1.4
97.06541	1.9
97.10178	0.7
98.06070	0.7
98.09705	5.8
98.20739	0.6
99.04481	0.7
100.07638	0.4
105.04515	0.8
105.07028	0.3
107.04962	100.0
107.08559	1.4
108.05328	1.3
108.08118	1.6
109.02894	0.5
109.10154	0.8
110.09680	0.6
111.08105	1.0
114.09151	0.5
115.07584	3.0
116.10739	34.6
117.07008	0.3
121.10177	0.8
122.09671	1.6
123.11711	0.3
124.07617	0.6
125.09652	0.5
126.09190	0.4
127.03942	0.7
128.10712	0.4
131.04915	0.5
138.09128	0.4
140.10692	0.8
142.08649	2.0
146.87843	0.2
149.13281	2.4
152.10680	0.4
158.11960	0.3
159.11685	0.3
167.14349	0.9
208.67928	0.2
212.16454	4.3
230.17455	0.8
231.15953	1.0
236.92397	0.3
238.18037	0.8
239.16460	1.1
249.32753	0.3
256.19083	2.2
257.15027	0.4
257.17511	3.3
262.21701	0.3
264.23279	0.7
268.22653	0.5
274.21671	0.7
278.21075	0.3
280.22760	0.6
282.24380	0.3
292.22665	2.0
310.23798	9.4
328.24838	75.2
329.25342	2.2
348.48611	0.3
374.21786	1.0
384.20078	0.3
392.22791	0.6
424.30496	1.7
434.29187	1.6
442.31705	6.3
490.30145	19.7
491.30579	0.8
596.25421	0.5
596.34308	6.9
597.34998	0.3
604.36804	2.9
627.33313	0.3
652.35529	2.0
710.40424	0.3
758.39545	4.5
766.42078	0.4
872.46161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	0.6
62.06079	0.5
67.05507	1.6
67.12667	0.5
68.05051	0.5
69.03429	1.4
69.07069	13.1
70.06590	1.8
70.61518	1.2
72.08150	2.2
73.06554	1.5
79.05509	2.7
79.50108	0.4
81.03418	1.4
81.05798	0.8
81.07053	3.8
83.04976	0.7
83.08633	1.6
84.08142	0.6
85.02910	3.1
85.06532	0.8
86.06067	30.1
86.09695	0.6
93.07047	2.3
95.04964	1.8
95.08616	1.5
96.08129	14.6
97.02899	1.7
97.06528	2.5
98.06054	1.5
98.09700	4.4
99.04453	1.8
105.04507	0.6
105.07024	0.8
105.56510	0.5
107.04958	95.9
107.08585	2.1
108.05295	1.3
108.08117	3.0
109.02888	0.6
109.06521	1.1
109.10172	1.3
110.09692	1.4
111.08080	0.7
112.07613	1.0
114.09176	1.5
115.07584	2.8
116.10734	42.4
119.08608	0.6
121.10126	1.3
122.09675	2.2
123.08082	0.8
123.11702	1.0
124.07563	2.9
124.11195	0.6
126.09151	1.1
127.03873	0.6
128.10712	0.6
131.04951	1.0
134.09680	0.9
135.11781	0.7
138.09152	0.8
140.10735	1.2
141.09125	1.1
142.08635	27.6
147.04459	1.0
149.13260	1.9
151.11153	2.8
152.10643	0.6
152.14340	1.1
154.12273	1.8
159.11638	0.7
166.15923	2.8
169.12216	1.2
184.17099	1.0
194.15366	3.1
212.10907	3.4
212.16458	100.0
213.16740	2.1
230.17514	46.9
231.15862	4.0
231.17938	1.0
238.18013	7.4
256.19083	24.0
257.17334	2.8
278.15970	0.7
328.24878	3.6
357.19086	1.2
374.21774	4.3
392.22815	17.8
424.30576	48.8
425.30731	2.0
442.31607	8.5
443.32092	0.6
447.61722	0.6
480.25665	1.1
490.30264	0.7
524.28540	0.7
530.34552	1.0
554.28400	0.9
586.35938	5.5
604.36884	9.2
605.37506	0.7
660.32349	0.7
692.40002	3.4
710.40533	1.2
766.41907	1.1
854.44397	1.3
872.45557	1.3
898.65466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.0
67.05515	2.1
69.03436	2.9
69.07069	14.0
70.06593	1.9
71.07383	0.4
71.48286	0.4
72.08165	2.7
73.02915	0.8
73.06551	1.6
74.64649	0.4
79.05503	2.8
79.05912	0.4
81.03432	2.0
81.05804	0.4
81.07059	3.4
83.08633	1.2
84.08150	0.8
85.02904	6.4
85.06551	0.8
86.06071	36.6
87.04479	0.4
91.05481	0.8
93.07040	1.9
94.06565	0.4
95.04962	2.0
95.08611	1.9
96.07571	0.8
96.08134	10.8
97.02924	2.8
97.06525	3.6
97.10168	0.4
98.06055	1.2
98.09093	0.6
98.09689	5.4
99.04449	1.7
100.07661	0.4
103.05482	0.6
105.04534	1.0
105.07054	0.5
107.04959	100.0
107.08586	1.9
108.05277	1.3
108.08118	2.8
109.02874	1.3
109.06531	1.1
109.10153	0.9
110.09696	1.3
111.08070	0.5
112.07600	1.5
114.09184	2.0
115.01023	0.4
115.07552	2.1
116.10735	44.9
119.08584	0.5
120.08132	0.5
121.10123	0.8
122.09664	1.2
123.11702	0.8
124.07584	3.3
125.09659	0.5
126.09154	1.5
127.03927	1.8
131.04912	0.6
133.10152	0.7
134.09642	0.5
135.11705	0.7
137.05914	0.6
138.09166	0.9
140.10709	1.6
141.09106	1.4
142.08636	21.7
145.05011	0.5
149.13289	2.2
151.11185	1.6
152.10732	0.7
152.14302	0.7
154.12230	1.5
159.11731	0.6
166.08606	0.7
166.15916	1.0
167.14278	1.3
169.12273	1.1
170.11758	0.8
184.17001	0.7
194.15459	1.9
212.16463	91.4
213.16743	1.6
214.18059	0.6
219.21921	0.4
230.17519	30.2
231.15947	3.6
231.17920	0.8
238.18037	4.6
256.19086	14.4
257.17435	1.8
260.14862	0.5
278.16058	3.4
287.05423	0.6
310.23682	0.5
328.24832	2.9
344.24231	0.9
357.19058	0.6
374.21759	24.8
375.20081	0.8
392.22809	18.4
393.23297	0.6
424.30591	25.4
425.30783	0.6
442.31604	12.1
490.29993	2.5
524.28442	0.9
530.34888	1.0
536.27228	0.5
548.35651	0.7
554.27759	0.5
586.26331	0.5
586.35809	6.7
587.36249	0.5
604.27655	0.7
604.37000	10.8
660.31635	0.4
665.62268	0.5
692.40747	2.0
701.09717	0.5
710.41528	2.4
735.34100	0.5
748.40930	0.6
758.38702	0.7
766.41785	1.3
854.45453	4.7
855.44397	0.5
872.46808	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	874.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.6
70.06602	0.3
70.93308	0.3
77.03895	0.7
79.05487	1.2
81.03421	1.1
83.08584	0.1
85.02905	0.9
91.05455	0.2
93.87788	0.1
95.04961	1.6
95.08647	0.1
97.02889	0.7
99.04426	0.2
103.05464	17.0
104.05826	0.2
105.04507	0.8
107.04953	100.0
108.05269	1.2
109.02890	0.3
109.10143	0.1
115.05477	0.2
119.04987	0.1
127.03909	0.7
131.04924	88.4
132.05261	1.2
145.04979	0.2
149.05975	6.6
165.09079	0.2
209.09618	1.4
213.09105	0.5
237.09175	0.4
257.08047	0.3
275.09152	0.6
293.10181	19.9
294.10538	0.5
399.14520	0.4
569.41620	0.1
874.45319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.9
70.06596	0.7
71.05016	0.3
71.49027	0.3
72.70161	0.2
77.03942	1.0
79.05479	1.3
81.03420	3.7
81.07054	0.4
85.02911	2.2
86.09715	0.3
91.05483	0.4
93.07036	0.3
95.04966	1.4
97.02900	3.6
99.04473	0.7
103.05472	19.6
105.04533	0.8
107.04960	75.3
108.05309	0.9
109.02899	2.1
109.10146	0.3
119.08504	0.2
124.84622	0.2
127.03940	2.0
131.04935	100.0
132.05269	1.2
135.11668	0.3
137.05937	0.4
145.04973	0.8
149.05992	12.2
151.03976	0.3
185.49210	0.3
209.09668	0.9
211.16974	0.4
213.09102	0.3
215.07104	0.3
237.09070	0.4
257.08170	0.6
275.09158	4.9
293.10202	32.8
294.10629	0.8
329.94547	0.2
379.10553	0.3
399.14304	0.6
455.15283	0.4
502.53583	0.3
551.51349	0.2
578.07941	0.2
615.52679	0.2
732.59534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09879	0.3
67.05508	0.5
69.03432	1.5
69.07069	0.4
69.16275	0.3
70.06593	0.6
71.48466	0.6
77.03936	1.0
79.05487	1.3
81.03400	1.9
81.07030	0.4
84.08118	0.3
85.02909	1.1
85.06550	0.6
91.05468	0.5
95.04969	2.0
97.02908	2.1
103.05471	16.6
105.04526	0.9
107.04960	100.0
108.04633	0.3
108.05262	1.5
109.02892	0.9
109.06448	0.3
124.91250	0.3
127.03903	1.4
131.04935	87.4
132.05263	1.1
147.04424	0.6
149.05986	4.8
176.79295	0.3
209.09737	0.3
213.09082	1.2
225.22809	0.3
243.61856	0.3
257.08041	0.4
275.09045	1.5
293.10214	24.5
294.10599	0.7
338.81561	0.3
615.23688	0.3
645.77411	0.3
776.61749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42819	0.4
67.05492	0.9
68.05028	0.8
69.03433	3.0
70.06581	1.4
70.66560	1.2
80.05019	1.2
80.57391	0.4
81.03429	2.5
82.06570	2.4
83.04946	0.6
84.04507	20.7
84.08146	82.7
85.02928	0.5
85.08451	0.4
89.90868	0.4
96.04498	19.1
97.02893	3.2
98.06064	7.8
99.04474	1.3
101.10794	3.1
102.05536	2.0
108.04507	0.6
109.02879	4.0
110.06078	1.3
112.07581	0.6
114.05476	0.8
116.07101	5.3
124.04001	0.9
126.05521	25.5
127.03938	1.4
129.10245	70.6
130.05019	1.9
130.08641	1.2
130.10616	0.9
138.05504	100.0
139.05870	1.1
144.06569	18.8
147.07657	0.7
147.11314	2.5
149.10776	1.2
150.05524	0.5
156.06662	0.6
167.11771	3.6
168.06564	17.1
183.11145	0.5
184.09647	0.6
186.07617	13.1
191.11781	3.2
194.13051	0.5
195.11296	17.3
200.13995	0.6
201.12332	7.0
204.08720	4.8
218.15004	24.3
223.10832	0.9
230.10257	0.8
233.12805	0.7
240.13402	5.0
241.11905	1.2
258.09888	1.6
258.14474	11.8
266.15106	0.7
284.16116	1.8
301.13974	5.5
329.13531	3.4
329.18250	1.3
347.19254	7.7
365.18390	0.8
383.19604	0.6
389.15332	0.5
401.20267	3.0
448.32303	0.4
490.25122	6.4
496.19525	1.5
507.75439	0.5
532.21594	1.3
568.25604	0.5
586.27435	2.5
598.26929	0.6
657.30438	0.6
675.31934	41.3
676.32819	1.5
878.39905	61.5
879.40271	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	878.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.5
65.03935	1.2
67.05189	1.5
67.05511	19.4
69.03401	0.8
69.07079	6.8
69.14806	8.6
71.08636	10.8
72.08165	1.2
76.65894	0.8
79.05501	25.0
81.03429	4.5
81.07063	19.0
83.05000	4.4
83.08623	6.1
85.02899	3.6
85.06474	1.0
85.10183	4.4
89.06020	1.0
91.03965	1.4
91.05493	21.1
93.06494	1.5
93.07049	24.2
95.04980	7.6
95.08612	16.1
97.02885	1.2
97.06522	1.8
97.10165	2.9
99.08128	0.8
105.04495	1.3
105.07035	15.8
107.04933	2.3
107.08592	6.4
109.06525	2.3
109.10152	3.8
117.07025	2.9
119.08595	7.4
121.06516	1.1
121.10111	1.3
123.08059	2.6
123.11653	1.9
127.03914	1.1
127.07568	1.0
129.07025	6.8
131.08554	1.3
133.06511	0.9
133.10132	4.6
143.08563	2.9
145.10121	3.5
147.08095	0.9
147.11702	14.4
161.09604	0.8
161.13245	5.0
163.11285	0.8
165.98279	0.8
171.11702	10.0
189.12679	3.8
207.13818	13.5
239.23711	1.6
281.17508	44.9
282.17880	1.4
313.27386	39.9
354.12503	0.8
382.66809	0.8
519.40479	100.0
520.40790	4.2
664.39178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83297	0.2
67.05502	0.9
69.03432	1.7
69.07072	1.1
70.06601	0.9
71.04993	0.5
71.08628	1.2
71.17770	0.4
72.08165	0.2
73.02921	0.3
77.03920	0.6
79.05491	1.9
81.03415	1.3
81.07064	1.3
83.04960	0.2
83.08630	1.2
85.02907	11.4
85.10181	0.5
86.03226	0.2
86.09698	0.4
87.04441	0.2
89.00542	0.2
91.03957	0.6
91.05480	0.2
93.01607	0.2
93.07054	0.8
95.04974	1.3
95.08618	1.1
97.02893	3.2
97.06538	0.6
97.10161	1.0
99.04473	0.5
101.54905	0.2
103.05492	0.4
105.04523	0.8
105.07030	0.3
107.04960	100.0
107.08601	0.9
108.05273	1.0
109.02878	1.0
109.10155	0.8
111.08073	0.4
111.11718	0.3
115.07603	0.3
117.07018	0.2
119.08559	0.2
120.08138	0.5
121.06531	0.2
121.10146	1.2
123.11732	0.6
125.09650	0.5
127.03912	3.5
131.04929	0.5
135.11699	1.3
137.13297	0.3
139.11191	0.7
145.04965	5.1
149.13284	0.9
153.12729	0.5
163.06041	2.6
163.14850	0.6
167.14317	0.2
181.15874	0.2
185.15475	0.2
219.21121	2.0
237.22115	2.4
255.23204	17.6
256.23532	0.4
265.09726	0.3
271.22729	0.6
272.23111	0.2
273.24249	1.5
289.09393	0.4
294.09875	0.2
297.08713	0.7
311.10229	0.2
312.11154	0.3
325.11298	2.5
329.12784	0.3
339.09872	0.6
353.11240	0.5
355.12891	0.2
357.12433	0.5
359.23743	0.2
360.64886	0.2
371.14005	0.2
385.11612	0.2
389.15121	0.6
416.13016	0.2
417.14435	0.7
431.16190	0.9
432.16580	0.3
459.15240	0.4
460.16238	0.8
461.17084	1.0
477.17126	0.3
491.18213	2.6
492.18808	0.9
493.19489	0.3
582.22437	0.4
586.62073	0.2
602.18518	0.3
614.25159	1.8
688.13025	0.2
836.51886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38287	0.8
67.05509	15.5
69.03426	4.1
69.07075	6.0
69.73055	4.3
71.04983	3.0
71.08634	15.6
73.02910	2.7
79.05495	11.5
81.03419	31.4
81.07062	18.3
83.04993	6.0
83.08620	16.1
85.02907	22.4
85.03288	0.5
85.06567	1.4
85.10185	9.7
87.04442	1.1
91.03954	5.6
91.05486	14.8
93.07053	8.4
95.04969	14.1
95.08058	1.3
95.08609	14.9
97.02902	5.5
97.06521	2.3
97.10196	4.6
99.04460	1.3
100.12766	0.7
101.60616	0.7
105.07032	11.2
107.04935	6.9
107.08611	5.0
109.06512	2.2
109.10168	5.0
111.04449	1.4
111.08080	4.8
113.05988	1.6
115.03752	0.8
119.08584	9.6
121.10147	4.4
123.08068	0.9
123.11720	2.6
127.03926	1.2
129.07005	6.4
130.60863	0.8
131.08571	5.5
133.06512	1.5
133.10147	6.0
137.13243	1.1
142.07840	1.5
145.04930	1.7
147.08087	2.3
147.11708	8.5
149.09624	2.4
157.10104	6.5
163.06038	2.9
165.12817	1.6
175.11186	7.2
193.12250	23.4
193.13884	1.5
211.13287	42.1
239.23796	2.4
257.24564	1.0
267.15948	16.5
277.03461	0.8
285.16968	55.8
286.17310	1.7
313.27371	59.8
314.27747	2.3
315.05670	0.9
505.38864	13.2
523.39954	100.0
524.40271	4.2
882.48169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.1
69.03439	0.9
69.48656	0.6
70.06580	0.4
71.04986	0.1
73.02909	0.1
77.03927	0.4
79.05493	1.3
81.03416	0.6
81.07057	0.2
83.62617	0.1
85.02906	5.4
85.06542	16.6
86.06872	0.2
87.04452	0.2
91.03954	0.3
95.04958	1.1
97.02895	1.4
98.20763	0.2
99.04452	0.3
100.04762	0.1
105.04495	0.8
106.78276	0.1
107.04955	100.0
108.05288	1.2
109.02877	0.4
109.06527	0.5
113.02351	0.1
127.03906	1.6
127.07484	0.6
136.07579	0.1
145.04970	3.1
145.08597	15.7
146.08890	0.2
147.04370	0.1
155.07045	0.2
161.09666	0.2
163.06024	1.3
173.08087	0.3
173.09641	0.7
178.08646	0.1
191.09138	10.5
193.12173	0.1
211.13268	0.4
229.10699	0.3
239.12784	0.1
247.11743	0.2
257.13852	6.9
289.09161	0.2
325.11276	1.5
451.16833	0.2
546.95074	0.1
616.22015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.7
67.05506	52.7
69.03407	1.9
69.07071	18.4
69.07433	0.5
69.99961	1.3
70.00365	2.0
71.04962	2.7
73.02892	2.5
77.03896	0.6
79.05495	36.2
81.03392	1.5
81.07056	66.2
83.04987	4.6
83.08173	0.6
83.08627	10.5
85.02457	0.6
85.02908	8.5
85.06534	3.9
91.03958	5.0
91.05479	19.2
93.07044	55.7
95.04971	3.8
95.08607	31.6
97.02891	5.3
97.06023	0.7
97.06526	8.3
97.10136	2.7
97.77325	0.7
98.20716	0.6
99.04485	0.9
99.08063	2.2
105.04477	1.4
105.06410	0.8
105.07033	11.2
107.04971	0.8
107.08594	27.2
109.06483	1.8
109.09483	0.9
109.10166	8.7
111.08088	5.2
111.11708	0.7
113.09608	1.3
117.07020	6.4
119.08583	6.4
121.06472	1.5
121.10146	22.0
123.08063	0.9
123.11704	4.5
127.03902	2.4
127.07458	0.9
131.08553	10.3
133.10123	9.9
134.15436	0.6
135.08028	1.4
135.11703	11.4
137.09590	0.6
139.11142	0.8
145.04933	1.6
145.10117	4.5
147.11662	4.1
149.09605	0.8
149.13266	28.0
150.13553	0.8
151.11162	0.6
159.11694	10.0
161.13220	2.4
163.06003	2.3
163.14818	2.0
165.12727	1.4
171.11575	0.7
173.13258	2.7
175.14792	0.7
177.12755	5.0
177.16432	0.7
187.14864	1.3
195.13823	10.1
213.14885	1.0
243.21103	3.1
259.20416	0.8
261.22147	9.3
267.15820	3.0
269.17480	98.2
270.17874	3.0
317.24670	2.6
324.34079	0.6
333.24472	0.7
335.25800	48.7
336.26108	1.9
437.34338	1.5
455.35150	1.0
529.38904	100.0
530.39258	5.5
547.40167	2.6
733.42548	0.7
888.49963	1.6
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
67.05497	3.0
69.03437	3.1
69.07082	1.0
69.25312	0.5
71.04967	0.7
73.02911	4.1
79.05485	2.3
81.03421	2.0
81.07053	3.2
85.02909	6.1
85.70954	0.5
91.03966	3.4
91.05479	1.4
93.07067	3.0
95.04964	0.7
95.08630	2.9
97.02884	5.8
99.04519	1.0
101.02390	2.1
107.08607	1.7
109.02924	0.8
115.03945	0.6
117.07112	0.6
121.10156	1.4
127.03975	1.4
131.04883	0.5
133.10187	0.8
135.11705	0.8
149.13277	0.8
159.11751	0.8
160.39902	0.5
185.04301	0.8
203.05305	0.7
235.13240	0.9
238.75375	0.5
243.08482	2.1
291.15665	0.5
299.93552	0.7
305.40506	0.5
335.25879	0.9
347.09726	1.5
363.08707	0.6
365.10580	1.0
405.13773	4.9
453.21106	4.5
519.29327	4.5
615.26709	3.1
681.34662	6.0
714.83801	0.6
731.43768	1.0
893.48651	100.0
894.48895	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	898.5729
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58736	0.5
65.03880	0.6
67.05421	27.4
67.05820	3.1
69.03374	1.2
69.06985	5.9
69.07380	0.6
69.24437	2.8
69.24863	1.6
71.04910	12.8
71.05331	1.3
71.08546	14.6
71.08965	1.3
71.45755	0.5
73.02822	1.7
79.05400	7.0
81.03341	1.3
81.06966	54.0
81.07488	4.0
81.07716	2.1
83.04888	2.0
83.08524	8.2
83.75094	0.5
85.02809	6.8
85.06449	5.4
85.10086	9.8
87.04384	0.7
91.03860	3.9
91.05382	10.0
93.07047	6.6
95.08607	16.7
97.02901	3.8
97.06530	2.3
97.10168	3.8
99.08031	0.9
99.11694	0.8
101.80906	0.5
105.07040	4.3
105.85661	0.4
107.08588	5.4
109.02845	0.7
109.06455	0.8
109.10155	9.1
111.07966	1.5
111.11662	0.8
111.57268	0.4
117.06943	0.7
119.08489	0.6
121.10040	1.8
123.11710	12.6
125.09546	0.5
127.03812	1.3
127.07410	0.5
131.08453	1.6
133.10124	9.9
135.11633	0.8
137.13179	0.7
145.04842	2.0
149.13252	3.4
151.11183	6.0
159.11702	2.3
163.05882	2.1
165.16359	0.5
169.12122	1.0
177.12682	1.6
183.13858	2.7
183.17136	0.5
187.13287	3.4
195.13741	1.3
239.23633	1.3
239.98586	0.5
257.17337	1.0
257.24649	0.6
269.17499	4.3
283.19125	0.5
301.20111	14.6
313.27374	14.3
314.27383	0.5
373.12500	0.6
413.21887	0.7
445.24133	0.7
481.38870	64.6
482.39130	2.8
495.40518	2.7
507.40311	6.1
539.43079	100.0
540.43219	5.2
683.46631	0.7
794.76318	0.5
852.13385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.7
69.03432	1.5
69.07055	0.3
69.61303	0.6
70.06590	0.1
71.04976	0.3
71.08616	0.1
73.02927	0.2
75.98376	0.1
77.03934	0.5
77.65839	0.1
79.05497	2.6
79.78331	0.1
81.03410	0.8
81.07056	1.3
83.08607	0.2
85.02907	8.5
87.04456	0.2
91.03948	0.3
91.05478	0.8
93.07039	1.5
95.04977	1.4
95.08598	1.0
97.02891	2.3
97.10149	0.1
99.04457	0.3
103.05491	0.1
105.04521	0.8
105.06411	0.1
105.07038	1.1
107.04957	100.0
107.08572	0.8
108.05296	1.1
109.02886	0.8
109.10176	0.4
117.07005	0.4
119.08587	0.5
121.06468	0.2
121.10130	0.9
123.11728	0.1
127.03919	2.3
129.07021	0.2
131.04950	0.2
131.08569	0.7
133.06499	0.7
133.10127	0.9
135.11682	0.6
137.06090	0.1
141.07034	0.1
143.08559	0.2
145.04964	4.7
145.06438	0.5
145.10106	0.5
147.08038	1.3
147.11646	0.2
149.09698	0.2
149.13286	0.4
155.08578	0.2
157.06454	0.6
157.10103	0.2
159.08087	0.4
159.11703	0.6
161.09692	0.4
163.06021	2.5
163.14818	0.1
169.06564	0.2
171.07988	0.5
171.11758	0.2
173.09637	0.3
173.13274	0.3
179.22003	0.1
183.08081	0.3
183.11691	0.2
185.09647	0.4
185.13283	0.1
187.11159	0.2
197.09586	0.2
197.13309	0.2
199.11176	0.5
211.11351	0.2
213.12790	0.2
214.30135	0.1
225.12894	0.1
227.14394	0.1
237.18501	0.1
239.18069	0.3
241.19649	0.2
249.18535	0.2
255.34119	0.1
257.19022	0.2
259.20557	0.6
269.10147	0.1
271.20633	0.1
275.20071	0.3
277.21619	2.5
289.09299	0.3
289.21738	0.1
315.19769	0.1
325.11246	1.8
365.24741	1.3
383.25806	1.7
385.23859	0.1
892.04309	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	904.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.9
67.05505	36.7
68.73805	0.6
69.03439	3.7
69.06685	0.6
69.07067	10.3
71.05007	3.4
71.09924	0.8
71.10250	0.9
71.77817	0.6
73.02920	2.1
79.05497	30.7
81.03420	32.9
81.07058	38.4
83.04985	8.0
83.08151	1.0
83.08620	14.1
85.02913	19.2
85.06548	1.5
91.03958	5.6
91.04900	1.3
91.05484	25.7
93.07046	28.9
95.04972	14.3
95.08610	24.4
97.02906	6.1
97.06532	2.8
97.10159	3.9
99.04464	1.1
99.08115	0.9
103.05495	0.8
105.04523	1.2
105.07036	18.1
107.04963	4.6
107.08603	15.3
109.06510	3.3
109.10158	9.3
111.04461	1.5
111.08086	5.3
113.06002	2.0
115.05414	1.2
117.07026	3.7
119.08582	13.9
121.10146	14.5
123.08086	1.5
123.11714	3.3
125.09619	1.2
127.03942	2.0
128.06316	0.9
129.07010	5.8
131.08571	11.6
133.06487	1.6
133.10146	9.1
133.44202	0.6
135.11694	7.4
137.09639	1.2
137.13286	1.1
142.07773	1.6
145.04958	1.9
145.10121	5.1
147.08041	2.0
147.11682	11.2
149.09627	3.6
149.13234	3.2
157.10124	8.2
159.11685	3.6
161.13304	1.9
163.06055	1.4
163.11198	1.0
163.14832	2.2
165.12801	1.9
173.13277	2.8
175.11168	8.4
175.14752	0.8
187.14870	1.0
189.16292	0.6
193.12245	23.8
197.13138	0.7
211.13290	35.6
212.13721	0.6
213.75746	0.6
227.12735	0.8
229.22560	0.6
243.21123	2.7
249.14801	0.7
261.22144	9.2
267.15955	10.5
283.15466	0.6
285.16977	42.6
286.17288	0.9
301.25302	0.9
317.24854	2.5
327.22888	0.6
335.25809	68.1
336.26254	2.1
435.32455	1.9
453.33582	2.0
527.37335	12.6
545.38391	100.0
546.38641	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.9
67.05506	40.5
69.03413	5.2
69.07066	10.7
70.05228	4.1
70.05641	3.2
70.06585	1.8
71.04975	3.9
73.02912	3.5
79.05492	34.6
81.03420	51.6
81.06598	3.1
81.07059	48.2
83.04976	13.2
83.08228	1.7
83.08626	19.2
85.02909	23.2
85.06525	2.7
91.03951	6.2
91.05481	26.1
93.07047	33.7
95.04971	20.2
95.08611	28.5
97.02879	9.8
97.06529	4.7
97.10145	4.1
98.21429	1.9
99.08072	1.6
105.07034	25.3
107.04928	7.3
107.08602	17.5
109.06499	3.6
109.10169	13.0
111.04443	2.8
111.08069	6.8
113.06003	1.9
117.07046	3.7
119.08595	21.1
121.10156	19.4
123.08039	3.2
123.11716	3.8
125.09633	1.8
127.03888	2.9
129.07011	9.1
129.07831	1.6
131.08551	13.0
133.06500	1.9
133.10120	12.6
135.11676	5.6
137.09613	2.7
142.07785	3.0
145.04929	3.4
145.10143	6.0
147.08031	3.6
147.11699	12.8
149.09587	4.8
149.13246	3.3
157.10118	12.0
159.11653	5.5
161.13255	2.9
163.06061	3.6
173.13263	3.0
175.11183	12.7
193.12248	35.7
193.39958	1.6
211.13286	60.3
227.12778	1.7
229.14429	1.5
234.18922	1.7
243.21030	2.6
261.22159	9.2
267.15894	18.4
285.16956	66.9
317.24716	1.6
335.25809	61.3
435.32550	4.2
453.33447	3.0
527.37402	15.1
545.38379	100.0
546.38794	2.7
549.49530	1.7
567.33423	1.6
735.08173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97491	0.1
69.03415	0.2
70.39800	0.0
70.40133	0.2
77.03920	0.2
79.05065	0.1
79.05495	1.0
81.03412	0.2
85.02907	1.2
85.06547	1.6
86.06903	0.1
91.05464	0.1
95.04972	0.8
97.02884	0.3
99.04469	0.1
105.04524	0.6
107.04958	100.0
108.05284	1.2
109.02888	0.1
119.04974	0.1
123.04420	0.1
123.05400	0.1
124.48975	0.1
127.03930	0.2
127.39005	0.1
145.04979	0.7
145.08598	1.7
163.06044	0.4
174.13040	0.0
191.09166	1.0
213.09111	2.3
214.09442	0.1
267.08615	0.1
269.10263	0.1
289.09232	0.1
297.13348	0.4
325.11310	0.8
343.03928	0.1
349.12161	0.1
353.14676	0.1
576.30157	0.1
577.02850	0.1
582.85266	0.1
783.70557	0.1
789.59851	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.2
69.46259	0.6
70.06601	0.1
77.03931	0.4
79.05502	1.0
81.03413	0.2
82.71207	0.1
85.02435	0.1
85.02906	1.8
85.06547	0.2
91.05498	0.1
95.04971	1.1
96.83521	0.1
97.02889	0.6
99.04401	0.1
100.11252	0.2
105.04526	0.7
107.04958	100.0
108.05283	1.0
109.02878	0.3
127.03929	0.5
145.04964	1.2
145.08585	0.1
163.06042	0.7
191.09131	0.2
208.74226	0.1
213.09097	1.4
269.10349	0.1
289.09216	0.1
297.13416	0.1
325.11316	1.5
601.26666	0.1
905.67548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.5
69.65180	0.4
73.02915	0.1
77.03927	0.3
79.05493	1.0
81.03400	0.4
83.20987	0.1
85.02905	3.3
85.06544	0.3
87.04462	0.1
91.03960	0.2
95.04970	1.0
97.02885	0.8
99.04479	0.2
105.04510	0.5
107.04956	100.0
108.05288	1.2
109.02888	0.3
119.04892	0.1
123.04422	0.1
127.03899	0.9
145.04964	1.5
145.08539	0.4
157.40132	0.1
163.06024	0.9
191.09177	0.2
213.09081	1.6
233.08052	0.1
251.09119	0.1
269.10242	0.2
289.09268	0.1
297.13324	0.2
325.11288	1.6
465.17465	0.1
663.36951	0.1
681.25165	0.1
912.81445	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.1
67.05505	4.9
69.03431	2.0
69.07070	0.8
69.20368	1.0
70.06583	0.2
71.04995	0.3
73.02918	0.4
77.03931	0.5
79.05495	2.4
81.03425	1.1
81.07057	6.7
83.04972	0.1
83.08631	0.6
84.64925	0.1
85.02905	10.3
85.06538	0.2
87.04456	0.2
91.03950	0.5
91.05489	0.5
93.07049	0.9
95.04968	1.5
95.08609	5.6
95.66008	0.1
97.02292	0.2
97.02890	2.9
97.06516	0.2
97.10174	0.5
99.04458	0.5
99.08116	0.7
103.03960	0.2
105.04520	0.7
105.07031	0.5
107.04956	100.0
107.08552	0.7
108.05284	1.2
109.02891	1.0
109.06556	0.2
109.10156	3.3
111.11735	0.2
111.33831	0.1
113.09657	0.4
115.03916	0.2
117.07029	0.3
118.82610	0.1
119.04961	0.1
119.08595	0.3
121.06493	0.2
121.10139	0.6
123.08042	0.1
123.11704	1.9
124.91008	0.1
125.09567	0.2
127.03915	2.9
127.04823	0.2
127.07533	0.2
131.04901	0.3
131.08559	0.3
133.06494	0.9
133.10126	0.6
135.08076	0.2
135.11681	0.5
137.09650	0.2
137.13271	0.7
141.18172	0.1
145.04964	4.7
145.06465	0.6
145.10101	0.3
147.08031	0.3
147.11629	0.5
149.13280	0.4
151.11194	0.4
151.14807	0.3
157.06493	0.5
159.08066	0.4
159.11696	0.3
161.13177	0.2
163.06023	2.1
163.11162	0.2
163.14870	0.3
165.09146	0.2
165.12779	0.3
169.12245	0.1
171.08049	0.2
173.09680	0.2
173.13261	0.4
175.11258	0.2
177.12773	0.1
179.14426	0.2
183.13800	0.2
187.11206	0.3
187.13115	0.1
187.14801	0.3
191.14336	0.2
195.13806	0.3
197.09616	0.2
201.12898	0.3
205.16023	0.2
209.15419	0.3
219.13824	0.2
223.16928	0.4
237.18538	0.2
243.21022	0.6
261.22195	0.9
271.16974	0.1
275.16837	0.1
277.21841	0.2
279.23199	9.3
280.23553	0.3
289.09283	0.4
289.18164	0.2
291.23178	0.1
297.18927	0.1
297.24268	3.0
313.21576	0.1
315.19647	0.3
325.11273	2.1
325.14954	0.2
367.26404	0.9
369.24146	0.1
371.64761	0.1
385.27414	1.5
387.25351	0.3
403.28680	0.2
405.26331	0.6
423.27603	0.8
441.28271	0.2
459.29523	0.5
461.36185	0.1
462.56754	0.1
530.50629	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	908.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46095	0.2
63.59131	0.2
69.03406	0.3
69.18152	1.5
69.18555	0.3
70.06579	0.2
71.04985	0.5
77.03924	0.5
79.05487	2.2
81.03417	0.3
81.07052	0.6
83.04976	3.0
85.02907	0.4
91.05472	1.5
93.07042	1.1
95.04967	1.9
95.08575	0.3
97.02874	0.2
97.06509	0.2
99.04472	1.1
105.04517	0.8
105.07030	2.3
107.04953	100.0
107.08573	1.1
108.05278	1.5
109.06519	4.0
111.04441	0.7
113.54897	0.2
117.07012	1.1
119.04977	0.3
119.08586	0.5
121.06482	0.4
121.10209	0.2
123.04434	0.4
125.05975	0.7
129.07027	0.3
130.07790	0.3
131.04926	0.6
131.08586	1.5
133.06499	0.3
135.08049	2.8
135.11734	0.2
137.05989	1.2
143.08575	0.8
145.06546	0.5
145.10117	6.6
147.08018	0.3
149.05995	0.3
151.07545	0.7
153.05522	0.7
155.08537	0.5
159.08083	0.3
159.11713	1.4
161.09666	0.7
163.11180	0.6
169.10143	0.7
171.07991	0.2
173.09628	4.4
177.12825	0.2
187.11191	2.5
189.09085	0.2
189.12804	0.2
191.10677	4.1
197.09680	0.3
205.12222	1.9
213.09143	1.4
215.10709	2.0
218.33069	0.2
233.11720	10.9
251.12787	11.9
252.13249	0.3
277.03421	0.2
293.15527	0.2
321.14984	0.2
337.12869	1.1
339.16037	0.3
355.13867	19.7
356.14273	0.5
357.17252	0.3
461.18387	0.3
489.05286	0.2
499.09979	0.2
826.92407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.2
69.03432	0.5
69.07054	0.2
69.72805	0.5
71.04995	0.3
77.03918	0.5
79.05496	1.8
81.03412	0.4
81.07049	0.3
82.74296	0.1
83.04987	0.2
85.02893	0.2
91.05496	0.7
92.94691	0.1
93.07045	0.7
95.04971	1.4
95.08589	0.1
97.02888	0.2
97.06531	0.4
99.04466	0.5
101.06078	0.1
103.05490	0.1
105.04519	0.7
105.06327	0.1
105.07037	2.2
107.04959	100.0
108.05277	1.3
109.06509	0.2
111.04337	0.1
111.08082	0.2
113.06015	0.1
113.06708	0.1
117.07032	0.3
119.04959	0.3
119.08591	0.3
121.02876	0.1
121.06499	1.6
125.06026	0.4
128.06262	0.1
129.07045	0.1
130.07861	0.1
131.04948	0.4
131.08565	0.7
133.06499	1.1
133.10159	0.3
135.04451	0.1
135.08054	0.3
137.05986	0.1
139.07536	0.1
141.06993	0.2
143.07037	0.3
143.08582	0.3
144.09344	0.1
145.04948	0.1
145.05312	0.1
145.06503	1.0
145.10127	3.2
146.10452	0.1
147.04433	0.2
147.08075	0.3
147.11707	0.1
149.06006	0.1
151.07596	0.2
154.07701	0.1
155.08571	0.2
157.06474	0.3
157.10147	0.3
158.07259	0.5
159.08054	1.1
159.11684	1.5
161.05986	0.1
161.09598	0.6
163.07552	0.1
163.11267	0.1
169.10155	0.5
171.08060	0.7
171.11678	0.2
172.08861	0.3
173.09630	4.4
174.10027	0.1
175.11252	0.1
179.08649	0.2
181.06525	0.1
181.10208	0.1
182.07263	0.2
183.08072	0.6
185.09628	0.8
187.07582	0.2
187.11172	2.6
189.09164	0.1
189.12743	0.1
191.07030	0.1
191.10674	0.5
193.12241	0.2
193.80847	0.1
195.08171	0.3
196.08876	0.1
197.09630	2.0
199.11240	0.4
201.09151	0.1
205.08597	0.6
205.12222	2.3
209.09679	0.3
211.07617	0.2
211.11166	0.7
213.09119	1.1
213.12532	0.1
215.10678	5.2
217.08571	0.1
217.12181	0.1
221.09671	0.1
222.03366	0.1
223.11258	0.1
225.09079	0.6
227.10704	0.4
229.08627	0.3
231.10196	0.3
233.11732	5.4
234.12198	0.1
239.10672	0.7
241.08629	0.1
241.12282	0.1
243.10223	0.3
245.11703	0.6
249.12875	0.1
251.12909	0.7
255.10049	0.1
257.11707	0.2
261.12741	0.3
265.15720	0.1
275.14487	0.2
278.12604	0.1
279.13864	0.7
293.15366	1.3
295.13580	0.1
295.16989	0.2
297.14996	0.2
303.13852	0.4
309.13550	0.2
311.16440	2.5
316.60947	0.1
319.11810	0.4
321.14865	3.0
322.15222	0.2
337.12811	4.6
338.13205	0.1
339.15939	5.1
340.16171	0.2
355.13892	4.8
356.14481	0.1
357.16980	3.2
357.21451	0.2
358.17029	0.1
415.17563	0.5
425.16040	0.2
443.17035	1.2
461.18127	0.7
619.60498	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	908.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
69.03437	1.9
69.07069	0.4
69.49519	0.8
69.49921	0.5
70.06595	0.7
71.04999	0.5
75.67818	0.2
77.03934	0.4
79.05505	2.1
81.03419	0.6
81.07054	0.7
83.04975	0.4
85.02905	0.8
85.06559	0.2
91.05489	0.8
93.07043	0.5
95.04974	1.8
95.08568	0.4
97.06546	0.4
98.21519	0.3
98.38352	0.2
99.04466	0.5
103.05497	0.3
105.04520	1.0
105.07037	6.1
107.04960	100.0
107.08608	0.7
108.05277	1.3
109.02934	0.3
109.06516	0.4
109.10167	0.2
110.44420	0.2
117.07029	0.6
119.04939	0.3
119.08579	0.7
121.06487	1.0
121.10105	0.4
125.05996	0.4
127.03941	0.4
128.06230	0.3
130.07770	0.3
131.04939	0.7
131.08591	0.8
133.06479	1.8
133.10092	1.0
137.05954	0.4
143.07111	0.5
143.08554	0.8
144.09344	0.4
145.06483	1.1
145.10129	10.7
147.04391	0.3
147.08040	0.3
151.07559	0.4
155.08612	0.4
157.10187	0.3
158.07300	0.5
159.08070	0.8
159.11710	3.7
161.09615	1.0
163.11183	0.3
169.10159	0.6
171.08043	0.2
172.08855	0.4
173.09634	6.7
173.11040	0.4
179.08540	0.3
183.08116	0.5
185.09624	0.4
187.11200	3.9
189.12740	0.7
191.10625	0.4
197.09604	2.0
205.12245	10.7
206.12753	0.2
209.09695	0.2
211.11227	0.6
213.09109	0.9
215.10693	14.0
216.11096	0.3
231.10251	0.3
233.11736	18.6
234.12253	0.3
251.12801	0.4
293.15375	0.5
309.13297	1.6
311.16321	1.4
319.11734	2.1
321.14920	1.2
337.12802	5.0
337.16492	0.4
339.15884	1.9
355.13904	8.4
356.14288	0.4
357.16876	1.1
415.17075	0.3
443.17188	0.5
454.62665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	14.7
69.03419	2.9
69.07073	9.0
71.04997	2.0
71.08635	16.4
71.48840	1.3
71.49223	1.2
73.02903	2.6
79.05493	15.2
81.03418	33.8
81.07060	20.9
83.04977	8.5
83.08621	17.8
85.02910	19.0
85.10196	10.2
91.03950	5.1
91.05482	16.5
93.07053	6.1
95.04977	12.7
95.08611	17.4
97.02902	5.9
97.06520	2.0
97.10181	6.5
101.92629	1.1
105.07042	11.7
107.04958	4.2
107.08587	3.2
109.06537	3.0
109.10143	5.8
111.04430	2.1
111.08079	4.8
119.08587	9.4
121.06538	1.2
121.10158	4.6
123.11726	3.5
127.03949	2.9
129.07007	4.5
131.08565	6.6
133.06471	2.0
133.10106	6.2
142.07779	1.2
145.04984	2.2
145.10062	1.1
147.08080	1.5
147.11717	9.1
149.09610	3.6
157.10158	7.5
161.06021	1.3
163.06023	2.5
165.12703	2.1
175.11191	10.2
180.80209	1.3
193.12241	24.4
211.13301	41.3
258.47668	1.1
267.15891	15.9
285.16965	57.4
313.26819	1.4
341.30524	61.1
342.30865	1.3
486.46854	1.4
533.42102	13.3
551.43115	100.0
552.43243	2.9
554.28973	1.4
560.51953	1.5
935.10681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62176	0.3
66.38047	0.3
69.03408	0.8
69.34840	2.5
70.06573	0.3
77.03925	0.5
79.05482	1.8
81.03410	0.4
84.08146	0.5
85.02886	1.3
86.09694	0.6
87.74399	0.3
95.04981	1.9
97.02887	0.7
104.67769	0.3
105.04521	0.8
107.04957	100.0
108.05282	4.4
109.05544	0.6
109.45310	0.3
118.46312	0.3
129.03136	3.7
151.07294	0.4
167.06799	3.3
185.04221	7.9
195.06294	9.3
195.07985	0.5
203.05266	8.0
213.07339	42.1
214.07664	0.7
226.39899	0.3
237.71562	0.4
254.72000	0.3
305.40579	0.3
309.09549	0.7
313.12555	0.4
329.12076	0.7
334.56140	0.4
347.09460	0.8
357.11624	0.9
365.06168	0.4
365.10623	0.6
375.12616	20.5
419.16653	2.6
435.16373	2.6
453.13882	0.6
463.15805	2.1
471.14880	0.8
476.51154	0.4
481.16794	8.6
537.17999	1.3
643.22083	29.6
644.22607	1.9
658.92078	0.4
749.27197	0.4
805.27588	2.6
911.31494	46.4
912.31848	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	911.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.3
69.03430	1.2
69.07069	8.9
70.06590	1.7
71.48044	0.3
75.50832	0.2
77.03932	0.5
78.92096	0.2
79.05499	2.0
81.03415	1.8
81.07012	0.2
85.02915	1.3
86.09726	0.5
91.05510	0.5
93.07056	0.5
95.04969	2.1
95.08620	0.3
97.02886	2.0
97.06541	0.8
99.04459	0.5
103.05483	0.4
105.04517	0.8
105.07060	0.5
106.67310	0.2
107.04957	100.0
108.05280	1.4
109.02875	4.0
110.09709	0.3
112.07610	2.2
119.04913	0.5
120.04502	0.2
120.08093	0.5
121.02839	0.3
121.06528	0.5
123.04425	1.1
127.03921	4.1
131.04964	0.5
131.08583	0.4
133.06555	0.4
136.07552	0.3
137.05977	1.0
138.09117	0.5
140.07066	18.1
141.05522	0.3
145.04959	0.5
145.06474	0.3
145.10144	0.3
147.04410	0.4
153.01794	0.2
159.08116	0.4
161.05942	0.4
164.07051	0.3
166.08603	0.3
168.06563	48.8
169.06905	0.5
173.05930	0.2
186.07608	6.9
187.07555	0.5
197.05937	0.4
213.09093	0.7
215.07065	2.2
233.07973	0.6
240.08669	1.0
258.09760	0.3
263.11694	0.2
277.09976	0.2
279.11343	0.3
294.09763	2.8
295.10510	0.3
303.04977	0.6
312.10770	6.0
328.30280	0.3
330.11829	15.8
331.12186	0.5
337.11807	0.4
355.14185	0.5
379.23648	0.3
400.13605	1.0
401.14694	0.3
413.14630	0.6
418.14880	0.9
436.15710	0.3
441.14020	0.3
443.15955	0.5
461.16882	0.9
492.16901	0.3
495.16290	0.5
569.20105	0.5
611.24268	0.4
626.24933	2.2
911.49194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.3
69.03417	2.5
69.24108	8.6
70.06584	1.2
73.02913	0.9
79.05486	2.7
81.03402	2.4
81.07028	1.2
85.02898	4.2
86.86686	0.9
91.05481	2.0
93.07033	4.1
94.06564	4.0
95.04954	1.7
95.07353	2.4
96.08116	6.4
97.02882	1.9
103.05482	1.3
105.07036	1.4
106.06451	1.0
107.04961	32.8
107.07346	2.0
108.05289	6.4
108.08109	6.9
109.06519	1.0
110.09679	12.9
111.16132	0.9
120.08126	9.5
121.02870	2.8
122.06040	3.1
122.09660	1.8
123.04447	1.2
124.07586	1.2
127.03850	1.4
131.04913	4.3
136.07574	7.1
137.05986	21.7
137.08350	0.9
138.09151	17.1
145.10152	1.7
148.07542	3.6
150.09137	3.3
166.08650	21.8
172.03889	1.3
173.17801	0.9
204.06471	1.5
227.11707	1.1
233.11824	1.5
235.12431	1.3
237.10156	1.9
238.10857	1.9
239.11729	2.2
248.09348	1.3
249.10240	5.0
250.10966	3.0
251.11739	5.8
252.12836	1.9
253.13446	1.2
261.10196	1.9
262.10965	2.5
263.11771	13.6
264.12711	1.3
265.09561	1.6
265.13345	2.3
267.11316	1.5
275.11661	2.7
277.09717	3.0
279.11313	6.9
281.09317	1.1
281.12750	3.1
283.10718	2.1
283.26337	1.1
287.05453	2.1
289.09671	4.3
291.11322	9.2
292.12000	2.0
293.12799	3.7
295.10806	4.2
297.12198	4.6
307.10739	7.1
309.12238	3.8
313.13483	1.3
315.14682	1.0
319.10730	2.4
321.12210	2.5
323.10449	1.1
323.13974	1.2
325.11804	2.2
326.14084	1.4
327.11240	2.7
327.14859	1.4
328.12033	2.1
328.15582	1.3
329.12579	2.1
335.10132	1.3
336.11060	3.7
337.11798	10.1
339.11191	2.3
340.11951	4.8
341.12906	12.4
342.13470	6.9
343.14407	11.3
347.09616	0.9
352.11899	2.0
353.12836	8.2
354.13504	9.5
355.10095	1.8
355.14404	34.2
356.14685	3.5
357.14948	3.2
367.14200	4.3
368.11298	1.1
369.11859	6.9
369.16388	1.3
370.12985	4.0
381.12173	4.9
382.13065	4.0
383.14090	7.7
385.15411	2.6
387.13580	1.1
395.13806	3.3
397.15366	3.7
399.13400	8.3
400.14178	2.2
401.14905	9.9
413.14975	35.4
414.15457	2.9
415.16641	9.2
421.08624	1.0
423.13449	1.5
429.13980	12.8
431.16370	2.7
440.15317	1.0
441.14490	21.0
442.15137	3.5
443.16034	18.0
444.19064	1.3
460.16077	1.1
461.17114	57.4
462.17105	2.5
463.18665	1.6
472.18979	1.1
473.17017	9.5
474.17639	1.2
476.48706	1.1
489.18860	2.3
490.19821	10.2
502.20276	1.0
520.20923	3.8
521.22064	1.5
522.22321	4.8
548.21411	1.3
550.22870	1.1
552.21295	3.0
564.20984	6.3
566.22681	2.7
578.22632	3.2
584.24176	6.8
594.22345	8.0
595.22595	3.3
596.23865	16.4
598.25037	1.9
608.23511	1.3
611.25311	8.4
612.23340	2.1
626.25000	100.0
627.25360	7.3
628.25970	2.3
643.27710	3.1
680.15552	1.1
682.25549	1.4
699.28351	1.8
711.52942	1.0
717.29401	15.0
731.31390	1.1
749.31799	11.5
756.27478	5.8
773.30255	1.2
788.16406	1.5
788.30225	23.6
789.30035	3.5
790.30646	1.3
790.81805	1.2
911.31921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.4
69.03424	3.4
70.06578	2.3
71.42262	1.7
71.42601	1.5
79.05481	4.9
80.52309	1.1
81.03392	1.9
81.07047	1.6
85.02895	3.4
90.11127	1.1
91.05466	4.7
93.07034	4.4
94.06004	1.2
94.06560	4.7
95.04945	1.7
95.07336	2.5
96.08115	4.9
97.02890	2.2
97.83807	1.0
103.05421	2.1
106.06576	1.4
107.04954	45.1
107.07289	1.4
107.08553	1.5
108.05276	3.1
108.08113	7.7
109.02878	1.5
110.09677	13.3
120.08111	11.8
121.02862	3.3
122.06015	3.9
122.09641	2.7
124.07593	2.8
125.68231	1.2
127.03869	1.4
131.04964	2.3
136.07559	8.7
137.05988	22.2
138.09142	15.5
145.05019	1.3
145.10063	1.7
147.04416	2.5
148.07573	2.5
150.09132	2.0
164.07109	1.8
166.08641	21.5
167.07010	1.4
168.06569	1.3
173.09578	1.6
187.11041	1.6
204.06519	1.6
227.11765	1.3
237.10193	2.5
239.11801	2.1
249.10294	5.3
250.10991	3.3
251.11816	5.8
261.10318	2.3
262.10895	2.4
263.11795	13.2
264.12686	1.3
265.09711	2.4
265.13239	2.7
267.11227	1.7
277.09674	4.9
279.11191	6.1
280.12134	1.5
281.12805	2.1
283.10681	1.4
287.13901	1.7
289.09680	3.0
291.11319	9.7
292.12021	2.1
293.12866	4.3
295.10724	4.0
297.12256	3.9
297.15356	1.4
307.10773	7.5
308.11200	1.3
309.12119	4.5
314.10422	1.2
314.13980	1.4
319.10495	2.7
321.12360	2.4
323.10187	1.9
325.12622	4.2
327.11407	1.8
328.12088	3.7
329.12762	2.0
335.10144	1.5
336.10947	2.9
337.11758	9.1
339.11111	1.9
340.12009	4.8
341.12735	14.6
342.13345	7.4
343.14456	10.2
352.11905	1.4
353.12860	8.8
354.13766	8.8
355.14441	34.0
356.14951	3.4
357.15082	2.5
367.14203	2.2
368.14987	2.5
369.11960	5.7
369.16113	3.1
370.12961	3.9
380.11401	2.1
381.12137	5.7
382.12936	2.6
383.13931	8.5
385.15375	4.0
395.13885	3.3
397.15735	2.9
399.13168	8.0
400.14108	2.9
401.15164	10.1
411.13632	1.5
412.16418	1.5
413.14948	33.7
414.15295	1.6
414.18118	1.6
415.16470	7.1
416.16132	1.5
423.13525	3.3
429.13806	11.9
429.23087	1.5
431.16138	2.6
441.14453	21.9
442.15067	4.2
443.15994	19.9
458.17072	3.2
460.16589	1.4
461.17093	60.4
463.18552	2.1
473.17056	12.0
474.17593	1.9
478.20941	1.7
488.17444	1.7
489.18506	2.2
490.19916	9.6
502.19736	2.0
515.29840	1.4
520.20850	4.9
522.22589	6.4
552.21021	3.4
564.21216	5.5
566.22845	3.4
578.22430	2.5
582.24341	1.8
584.23663	6.7
593.23236	1.7
594.22430	13.4
595.23425	2.5
596.24030	15.7
608.23376	2.0
611.25177	16.2
612.23425	1.8
626.24963	100.0
627.25378	8.7
628.26361	2.3
643.27570	6.9
651.23865	1.7
699.27679	4.0
717.29254	15.8
749.31818	9.6
756.26807	3.6
773.30084	1.9
788.30286	25.1
789.30109	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	911.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.1
69.03441	0.9
70.06586	1.5
77.03925	1.1
79.05499	3.0
81.03422	1.6
81.07051	1.0
84.08138	0.6
85.02889	1.0
91.05488	2.2
93.07026	2.0
94.06561	2.3
95.04976	3.1
95.07345	1.1
95.08615	1.0
96.08114	2.8
97.02903	1.1
103.05482	0.6
105.04519	1.4
105.07067	0.8
106.06557	1.0
107.04960	100.0
108.04536	1.2
108.05273	2.0
108.08146	3.9
110.06052	0.5
110.09705	4.3
111.92063	0.6
116.05048	0.8
119.08551	0.8
120.04478	1.7
120.08100	3.9
121.10146	0.6
122.06062	1.6
122.32420	0.5
124.07624	2.2
127.03950	1.1
131.04950	1.7
131.08482	0.5
134.06021	2.0
136.07593	5.8
138.09149	6.4
143.15485	0.6
144.04515	1.3
145.10120	0.9
146.06033	2.2
147.04474	0.8
147.11964	0.5
148.07617	1.8
152.07033	1.1
160.03957	2.2
162.05545	1.5
164.07063	1.5
166.08662	6.9
167.07224	0.6
172.03951	7.9
172.07573	0.8
174.05605	0.8
176.07063	1.2
190.05025	8.3
197.10796	0.8
199.12349	0.7
204.06587	11.9
210.09317	0.9
210.11649	0.6
211.08763	1.4
212.09424	0.8
225.10199	3.5
226.10916	0.9
227.11797	7.9
236.09460	1.9
237.10271	2.3
238.10973	0.8
239.11852	2.3
241.09772	0.8
241.13414	1.5
245.12769	0.6
249.10249	1.8
250.11034	2.2
251.11795	2.8
253.09729	3.5
253.13516	0.9
255.11259	0.9
263.11816	3.1
264.08984	1.2
264.12140	0.8
265.09747	1.7
265.13440	0.9
267.11319	1.6
269.12866	9.0
271.10770	5.3
273.12393	1.1
277.09750	1.6
278.10574	0.7
279.11316	4.7
281.12955	0.7
283.10846	2.5
284.11597	1.4
285.12433	2.3
287.13907	13.7
287.16809	1.0
291.11343	2.2
293.12860	0.8
295.10727	0.9
297.12375	4.9
299.13959	2.4
300.11819	0.8
307.10846	1.7
309.12418	1.6
312.15155	1.0
313.12256	1.3
316.14639	0.8
316.56726	0.7
319.10767	1.0
323.10294	4.3
325.11853	10.9
325.15472	0.8
326.16312	0.7
327.13617	2.1
327.17352	0.7
328.10797	0.8
328.14337	1.5
329.15323	0.9
330.16006	1.1
334.75687	0.6
335.10266	0.7
337.11819	4.0
337.15305	0.7
339.13727	1.3
340.14676	0.7
341.11710	1.2
342.12250	3.1
343.13095	2.9
344.13953	0.8
344.17566	0.7
354.12473	0.7
354.16342	0.7
355.13147	1.9
356.14075	2.9
357.14508	9.0
358.15503	2.7
365.11121	0.7
367.13052	2.1
368.13962	0.7
369.14651	2.0
370.15515	2.7
371.16208	1.0
372.17255	0.9
378.18161	1.0
382.11771	1.3
383.12796	1.2
384.13367	1.8
385.14334	1.2
386.14682	1.2
386.18848	1.7
390.18143	1.5
393.18130	2.2
398.15030	10.6
399.15778	14.8
400.16446	1.6
402.18683	0.7
403.19016	0.8
404.16028	4.8
412.16653	1.2
414.18225	3.3
415.15274	0.7
416.16016	10.6
422.16949	1.0
428.16269	2.9
430.17792	1.8
440.16052	4.5
446.17395	3.6
458.17084	13.6
459.17630	0.7
478.19885	1.7
484.77267	0.6
488.18622	2.7
489.18454	2.2
490.19656	6.8
520.21045	4.6
521.21381	1.7
522.22400	16.1
523.22748	1.4
541.24005	0.8
552.21490	1.2
564.21619	1.2
565.23846	0.8
567.26080	1.0
569.24054	2.3
583.25659	0.7
593.23816	4.6
596.24286	0.8
610.23303	0.8
611.25031	74.4
612.25562	3.4
625.26379	1.1
643.27661	25.4
644.27814	1.2
684.27228	1.5
714.26355	1.8
717.29065	10.4
726.26202	1.8
749.31671	1.6
773.30078	0.8
852.29132	0.8
879.34509	1.7
911.41687	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	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	12.4
69.03438	2.2
69.07075	6.1
71.08630	19.4
71.49031	1.7
73.02905	2.2
79.05495	7.0
79.57065	1.4
81.03419	57.5
81.07053	15.9
81.07484	2.1
83.04974	1.6
83.08627	18.2
85.02906	5.7
85.10185	9.1
87.03992	1.3
87.44228	1.5
89.06028	1.5
91.03991	2.5
91.05485	14.0
93.07039	5.4
95.04964	16.7
95.08608	15.2
97.02890	4.6
97.10188	4.1
99.92562	1.3
105.07037	12.4
107.04984	8.3
107.08597	4.2
109.06497	2.2
109.10144	6.5
111.08073	4.3
119.04946	1.7
119.08562	7.8
121.06577	2.5
121.10172	4.3
123.04440	1.6
123.11668	2.0
127.03963	2.5
129.07004	3.9
131.08574	5.1
133.06496	3.7
133.10146	3.2
145.04982	2.2
145.10161	1.7
147.08061	3.2
147.11708	5.4
149.09621	3.2
157.10115	7.0
160.95552	1.4
161.09447	1.4
163.06061	3.7
171.43582	1.3
175.11201	5.6
179.08440	1.5
193.12245	20.8
211.13310	2.2
235.13336	1.4
267.15921	100.0
268.16220	2.0
283.38098	1.5
301.14484	3.0
309.17099	1.6
313.27365	95.5
314.27643	3.5
327.28958	1.6
393.19067	1.8
405.21097	1.5
505.38898	84.5
506.39017	4.1
547.40015	8.9
601.40930	2.1
613.40845	2.4
745.49707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.46
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.3
69.07068	0.7
69.51078	0.4
69.51480	1.2
70.06595	68.4
71.06934	0.8
72.08161	4.7
83.06100	1.0
83.98829	0.2
84.04508	9.6
85.02874	0.2
86.06066	0.4
86.09708	6.4
92.83704	0.2
94.06543	0.2
98.06048	0.4
99.09215	0.3
101.07147	6.3
104.43047	0.3
107.04948	1.3
112.03967	0.5
114.05553	0.3
115.05463	0.2
115.08709	0.5
117.03713	0.8
117.05810	0.3
118.06882	100.0
119.07205	0.7
125.07169	0.2
125.34403	0.3
127.08661	1.1
129.06602	4.1
130.06532	3.3
132.04802	0.4
132.08098	1.9
138.09126	1.8
142.06520	0.5
144.08101	0.5
148.06076	0.7
155.11813	1.0
157.06096	2.4
159.09183	7.8
163.09009	14.5
169.07608	0.5
170.06013	4.7
171.09192	0.3
174.05923	0.4
178.05031	0.3
181.09784	0.3
182.08392	0.4
182.12854	1.4
183.11363	3.2
183.14931	10.5
187.08719	0.5
193.13441	0.4
196.11311	0.3
198.12767	0.5
200.13974	3.2
201.10564	0.3
210.12440	0.9
211.12477	0.4
211.14400	3.8
213.13826	0.5
221.12816	0.6
223.12321	1.8
225.13815	1.3
226.05402	0.7
228.13445	1.6
239.11758	1.2
242.16513	0.6
243.08051	2.3
246.12733	10.5
256.14380	0.5
257.09494	0.7
258.16064	0.6
261.14499	1.4
267.11157	0.3
274.12207	28.9
275.12372	0.5
284.13956	0.5
286.15579	1.0
297.12418	0.5
326.29800	0.2
328.16895	0.6
332.14066	0.3
335.18420	0.4
345.19528	0.6
358.19763	10.7
359.20105	0.3
373.19061	37.2
374.19424	0.8
383.20645	0.6
397.22339	0.9
408.88693	0.3
414.21429	0.7
417.29449	0.2
430.21115	0.8
442.21271	0.4
496.29077	0.4
515.28082	6.6
527.24951	0.8
531.27527	12.2
532.27606	0.5
542.24426	0.5
544.27704	10.7
545.27600	0.4
559.27002	27.7
560.27399	1.6
643.34259	0.6
656.32062	2.9
741.41125	0.4
769.40570	1.8
814.89923	0.3
898.44897	0.3
916.45978	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	5.6
67.05509	74.6
69.03432	5.3
69.07071	21.0
69.40429	2.6
69.66441	15.2
70.06594	38.2
71.04989	4.3
71.08636	2.6
79.05497	59.4
81.03419	16.8
81.07062	70.7
83.04973	5.3
83.08614	11.1
85.02900	11.6
85.61950	2.6
91.05483	56.1
93.07053	54.6
95.01337	23.5
95.04964	19.2
95.08611	45.1
97.02889	7.3
97.06523	10.1
97.10164	5.3
99.08057	3.5
100.76507	2.9
103.05460	4.2
105.04533	3.7
105.07031	32.1
107.04965	19.8
107.08611	26.7
109.02869	6.3
109.06512	8.9
109.10166	28.9
111.04425	4.9
111.08019	4.1
115.05523	3.5
117.07016	17.4
119.04919	3.8
119.08592	24.7
121.06501	9.8
121.10159	24.4
123.04423	6.5
123.08095	5.1
123.11687	7.9
125.09641	3.2
127.03947	3.5
129.07024	12.4
131.04935	5.7
131.08565	22.0
133.06485	6.5
133.10141	31.4
135.04411	8.8
135.08026	5.9
135.11685	16.5
137.05983	4.2
137.09636	6.1
139.03880	3.4
141.01816	2.7
141.06987	5.1
143.08560	7.8
145.06502	7.0
145.10147	15.5
145.79536	2.9
147.04419	14.2
147.08051	3.6
147.11678	9.9
149.05930	7.4
149.09610	4.1
149.13275	8.4
151.03871	10.9
151.11137	4.1
155.08568	5.6
157.06448	4.1
157.10094	10.3
159.08046	3.8
159.11714	10.7
161.06061	4.4
161.09619	3.7
161.13228	6.5
163.03896	4.4
163.07545	2.9
163.14778	2.3
169.05011	5.8
169.06422	2.3
169.10170	3.1
171.08031	6.8
171.11714	4.2
173.05986	3.1
173.09546	3.9
173.13272	8.3
175.03918	11.3
175.11197	4.8
177.05518	4.9
177.12714	5.6
185.09637	4.9
185.13231	4.2
187.11157	7.2
189.05569	4.1
189.09134	2.7
193.04942	3.9
193.12187	4.8
195.08075	2.9
199.11215	6.2
205.12410	2.8
207.13615	2.9
211.13274	2.9
215.10664	4.8
227.10597	3.9
233.11647	5.6
241.12172	5.5
243.21056	4.9
245.11682	3.1
251.12938	4.4
259.20819	2.7
261.11191	5.8
261.14798	3.5
261.22192	17.8
263.12619	2.8
267.56799	3.0
269.11725	7.5
271.13284	6.6
287.12823	13.0
289.14276	7.3
297.13565	3.5
299.14877	19.0
305.13800	9.3
307.15668	3.7
307.20020	3.6
315.12354	10.4
329.54770	2.8
333.13492	14.2
333.17239	2.6
335.25818	100.0
336.26123	4.4
351.14270	17.5
353.15344	3.2
363.18045	8.0
381.19482	2.6
407.17099	18.8
425.18051	26.8
443.19104	27.3
461.19763	3.0
504.87177	2.8
527.37079	9.4
545.38257	3.8
559.36377	5.8
611.35175	4.2
623.39240	10.9
631.37781	3.3
641.39899	3.3
649.37622	4.2
659.41107	3.2
667.38574	35.3
668.38800	3.3
685.27252	4.1
685.39386	65.3
686.40240	3.7
703.40460	68.8
721.41101	9.4
847.43695	8.5
861.62524	2.8
918.57526	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	919.2503
Annotation	kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
65.03927	0.9
68.99812	0.1
69.03434	1.6
70.06584	0.1
71.47495	0.2
81.02989	0.2
81.03425	2.5
85.02911	0.9
85.07110	0.1
91.05482	7.1
97.02886	0.3
99.04478	0.3
99.81477	0.1
107.04964	0.2
109.02864	1.1
111.00790	0.1
119.04944	18.2
120.05290	0.2
121.02888	0.6
121.03690	0.1
127.03928	0.9
133.02859	0.2
147.04413	100.0
148.04716	1.3
152.95142	0.1
153.01791	0.7
154.24544	0.1
157.06483	0.1
165.01819	0.5
165.05479	1.2
183.02902	0.1
185.05943	0.2
213.05519	0.4
231.06494	0.3
241.04970	0.3
258.05307	0.2
258.46613	0.1
287.05505	31.0
288.05792	0.7
291.08640	5.9
303.19083	0.1
309.09671	7.3
329.06509	0.5
330.17950	0.1
390.06177	0.1
404.65244	0.1
441.89487	0.1
449.10843	3.6
453.13693	0.2
471.14911	1.8
843.84290	0.1
909.75690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.3
68.10944	0.2
69.07069	4.3
69.33386	2.2
70.06585	0.7
71.08633	14.2
73.06538	0.3
75.04453	0.4
79.05476	0.7
81.07056	6.7
83.08148	0.4
83.08619	4.9
85.06527	0.4
85.10181	8.0
89.06028	1.2
91.05479	0.4
93.07034	0.9
95.08608	9.4
97.10168	2.4
98.98466	3.7
99.11707	0.4
103.07578	1.0
107.08586	0.5
109.10159	4.1
111.11732	0.7
117.09172	0.4
123.11678	1.8
124.06335	0.3
125.09653	0.3
131.10719	0.3
135.11708	0.4
137.13260	0.5
147.04425	0.3
149.13443	0.3
153.12712	0.3
155.01057	1.4
173.02063	0.3
181.65239	0.3
207.15390	0.3
220.38164	0.3
239.23729	0.8
257.24786	1.4
271.08591	0.2
313.27365	100.0
314.27670	2.4
324.45743	0.3
331.30173	0.3
337.27411	2.1
393.24005	0.5
449.26508	2.0
630.58270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	3.7
67.05509	80.1
69.03432	25.9
69.07074	17.5
71.01366	4.0
71.04982	10.7
73.02896	4.8
79.05498	75.8
81.03423	34.1
81.07057	100.0
83.04973	10.1
83.08628	9.8
85.02904	26.2
91.05481	61.3
91.06024	4.2
93.07048	90.2
95.04980	8.0
95.08611	71.0
97.02905	22.9
97.06527	7.5
97.10173	3.2
99.04463	14.7
103.03949	8.4
103.14342	2.7
105.04532	4.3
105.07043	36.4
107.04957	5.4
107.08590	53.0
109.02860	13.1
109.06532	6.7
109.10168	29.0
111.04442	6.0
111.08078	3.0
113.88909	2.7
115.03912	3.5
117.07005	18.7
119.08595	29.1
120.61709	2.2
121.10150	41.6
123.08018	3.0
123.11695	12.9
127.03960	17.1
129.06972	8.5
131.08571	29.9
133.10141	25.0
135.11687	31.8
139.11212	3.6
143.08611	6.7
145.04964	6.6
145.10106	18.3
147.11694	16.8
149.13272	18.8
151.11200	2.8
157.10086	3.4
159.11678	16.4
161.13245	12.8
163.14848	4.9
171.11656	5.8
173.13223	18.3
183.06523	10.9
185.13129	4.2
187.14848	6.7
199.10950	3.0
201.07600	5.6
204.51613	3.3
241.19511	5.7
243.21098	11.2
259.20590	8.2
261.22147	44.5
277.21548	3.5
301.21832	3.3
315.23145	3.2
335.25809	54.6
363.25110	4.2
369.24271	8.1
387.24973	3.8
405.26425	6.9
443.27695	6.1
479.29889	3.6
484.76254	2.9
563.18866	3.1
691.48328	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	919.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.6
67.05505	88.7
67.28448	1.3
69.03432	59.5
69.07069	14.7
69.74099	7.5
70.32457	1.3
71.04996	14.2
73.02901	5.8
75.04449	1.6
79.05492	59.0
81.03419	100.0
81.07055	91.4
81.07457	0.9
83.04971	7.2
83.08630	8.6
85.02901	24.4
85.06562	2.4
91.03964	2.7
91.05476	40.7
93.07047	71.5
95.04946	8.9
95.08609	74.8
97.02892	37.5
97.06514	5.3
97.10161	4.1
98.21487	1.5
99.04462	30.4
99.08089	1.9
101.02370	4.4
102.24142	1.5
103.03940	4.5
105.04507	3.9
105.07034	30.4
107.04974	3.8
107.08598	42.5
109.02889	29.7
109.06509	3.7
109.10156	35.0
111.04446	4.8
111.08043	3.3
115.05442	2.3
117.05507	1.6
117.07021	13.1
119.08580	26.6
121.10151	37.4
123.04440	2.6
123.08086	3.4
123.11709	15.2
125.05952	1.4
125.09647	2.5
127.03918	70.5
129.05479	3.6
129.06992	3.2
131.08568	23.6
133.06409	1.7
133.10141	16.8
135.08046	1.4
135.11699	24.9
137.09669	2.0
137.13255	4.9
139.11139	1.6
140.74112	1.4
143.08530	2.8
145.04906	4.5
145.10132	20.3
147.11699	16.4
149.09554	2.5
149.13258	14.3
151.03937	2.1
151.14732	1.5
155.08507	2.0
157.10138	1.9
159.11668	13.5
161.09616	1.8
161.13255	11.5
163.11186	1.5
163.14815	7.8
165.12743	2.8
169.10106	2.9
171.11716	3.2
173.04469	40.9
173.13281	14.5
175.14799	3.5
177.12733	1.4
177.16425	3.4
183.06467	1.6
183.11711	2.0
185.13316	2.6
187.14801	9.1
197.13187	2.2
199.14915	2.1
201.07605	1.8
201.16383	3.3
209.13185	1.5
233.22630	2.0
243.21136	15.9
248.79219	1.4
253.07031	3.5
259.20602	3.4
261.22150	54.5
263.23462	1.3
271.20474	1.8
271.86768	1.9
277.21640	3.7
277.69110	1.4
279.23221	4.8
282.79861	1.3
285.22125	1.5
289.21613	2.9
301.21698	1.5
303.23181	3.0
312.85703	1.3
335.25784	48.6
341.24838	2.2
351.23108	2.2
353.26770	2.9
363.25269	20.9
369.24228	4.8
387.25330	4.1
405.26572	4.6
595.47357	1.7
677.37335	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.7
66.27187	0.2
68.96003	0.3
68.99763	0.3
69.03419	1.4
70.06567	0.3
71.22133	0.4
74.15697	0.2
75.04475	0.8
77.03918	0.8
78.04739	0.6
79.05490	2.9
80.05009	0.3
81.03416	1.9
81.07045	0.3
81.15038	0.3
85.02904	3.0
87.00829	1.0
91.05476	4.1
92.02614	0.3
92.05004	0.4
93.05776	0.3
94.04189	0.5
95.04961	2.6
97.02869	2.2
99.04469	0.5
103.04209	0.3
103.05473	0.3
104.04988	9.1
105.01862	1.0
105.04539	1.3
105.05773	15.6
106.06560	3.1
107.04954	100.0
107.07320	1.8
108.04477	0.7
108.05288	1.0
109.02882	2.4
109.06556	0.9
116.04977	0.6
117.05764	0.9
118.06539	5.7
119.03683	8.7
119.06076	0.3
120.04469	9.2
121.06480	2.0
122.07303	0.3
123.06816	2.5
127.03874	2.3
130.02885	3.0
132.04453	48.6
133.05237	33.8
134.02365	1.1
134.06030	10.1
135.06766	0.4
137.05977	0.5
144.04456	2.6
145.05014	0.3
147.04475	0.6
147.05554	1.7
148.03963	1.5
149.04721	39.6
150.05064	0.5
151.06276	0.6
159.02895	0.7
162.05510	28.6
163.06282	100.0
164.07063	72.5
165.07416	1.1
165.49222	0.3
166.00566	0.8
166.08647	1.6
168.02126	0.3
176.07201	0.4
179.05750	1.2
179.08174	2.6
194.00163	1.4
194.08125	98.4
195.08510	1.4
202.04987	0.8
209.01225	0.5
210.01901	0.3
211.02579	0.4
212.01254	0.3
213.03906	0.3
216.06709	0.5
225.04289	0.5
231.04918	0.7
267.03162	0.6
268.04028	0.3
269.04797	0.8
297.04352	0.4
298.26950	0.3
312.05438	1.9
336.01126	0.3
340.04837	0.8
372.07385	3.3
373.08032	0.7
375.09512	0.4
387.14984	0.3
404.10086	30.2
405.10248	1.1
639.47498	0.3
652.15466	0.4
667.25488	0.3
844.62585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	2.8
67.05507	54.3
68.05824	0.7
69.03431	2.6
69.07067	10.7
69.26541	2.0
69.26964	3.8
71.04995	18.0
73.02924	2.0
78.06804	0.6
79.05495	29.2
81.03419	2.1
81.07059	86.3
82.07374	1.1
83.04971	3.5
83.08627	8.0
84.45499	0.7
85.02908	10.4
85.06542	6.9
86.71906	0.6
87.04455	1.0
91.03955	6.2
91.05481	26.9
93.07046	33.9
95.04951	3.2
95.08611	25.1
97.02901	6.2
97.06522	4.7
97.10187	2.6
99.08120	1.1
103.05437	0.8
105.04482	0.8
105.07040	15.5
105.07706	1.3
107.04980	1.6
107.08593	18.8
109.06519	1.6
109.10155	12.1
111.08089	2.2
117.07017	6.3
119.08582	9.9
121.06465	0.8
121.10144	15.3
123.08028	1.5
123.11720	12.4
125.09607	0.8
127.03914	2.7
129.05493	0.8
129.07045	1.5
129.69640	0.6
131.08592	8.5
133.10130	19.6
133.11102	1.3
135.08075	0.8
135.11684	10.1
137.09621	0.8
143.08624	1.4
145.04996	2.7
145.10135	6.2
147.11671	3.2
149.13249	5.6
151.11177	6.9
153.12732	1.2
157.10164	2.2
159.11688	7.4
161.13271	3.5
163.06044	2.8
165.12837	0.7
167.14384	0.8
169.10139	0.7
169.12309	1.2
171.11691	1.5
173.13251	3.0
175.14810	1.6
177.12758	2.2
183.13831	2.9
185.13283	1.1
187.13293	2.1
187.14832	1.3
195.13817	1.9
201.14819	1.4
227.16440	2.3
230.18286	0.6
243.16022	0.8
251.16173	0.9
253.18022	2.1
257.17584	2.0
259.20639	1.4
261.22202	2.1
267.15738	0.6
269.17474	5.2
271.20782	0.8
301.20111	22.7
301.23587	1.1
317.24820	1.1
335.25772	16.3
374.41864	0.7
393.31766	1.1
411.32690	1.8
437.34106	1.4
445.24222	1.4
455.35553	1.1
472.76306	0.6
485.36105	5.0
503.37326	83.6
504.37216	3.1
511.38046	2.6
517.38782	2.7
529.38904	27.0
530.39001	1.6
543.40332	0.8
547.39819	1.2
561.41516	100.0
562.41956	4.4
705.45459	0.8
920.61218	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	920.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.6
67.05505	47.6
69.03423	2.4
69.07067	7.7
70.06570	0.4
70.47539	0.4
71.04990	14.9
71.15408	0.8
71.15769	0.5
73.02921	2.1
73.06548	0.4
77.03922	0.7
79.05492	29.4
81.03426	1.6
81.07053	72.5
82.07382	0.5
83.04983	3.2
83.08623	5.5
85.02908	8.1
85.06548	5.6
87.04466	0.9
91.03957	4.5
91.05477	21.5
93.07040	31.9
95.04964	2.7
95.08602	20.6
96.04478	0.5
97.02885	3.8
97.06532	3.6
97.10181	1.6
99.04458	0.9
99.08107	0.4
105.04520	1.3
105.07032	12.4
107.04958	0.7
107.08593	17.1
108.40593	0.4
109.02830	0.5
109.06523	1.5
109.10152	9.4
111.08080	1.5
111.11710	0.4
113.09672	0.5
117.07021	3.2
119.08581	6.2
121.10138	11.1
123.08071	1.0
123.11703	9.8
125.09651	1.2
127.03930	1.7
127.11237	0.4
129.05452	0.7
129.07021	0.5
131.08569	5.9
133.10132	13.3
133.11099	0.8
135.08073	0.5
135.11691	7.1
136.12094	0.5
137.09631	0.6
137.13260	0.5
143.08589	0.6
145.04985	2.0
145.10135	3.6
147.11676	4.0
149.13260	4.7
151.11171	4.9
157.10110	0.7
159.11670	4.5
161.13225	2.4
163.06036	2.0
163.14812	0.7
169.12236	0.9
171.11786	0.7
173.13303	2.4
177.12790	1.5
183.11766	0.4
183.13824	1.8
185.13345	0.6
186.41739	0.4
187.13327	2.7
187.14789	0.9
195.13829	1.6
201.14799	0.8
201.16481	0.7
227.16460	1.4
243.15826	0.5
243.21107	0.9
248.62027	0.4
257.17514	1.5
261.19565	0.6
261.22031	2.6
269.17459	5.0
299.23431	0.4
301.20059	10.9
317.24860	0.7
335.25787	20.4
336.26135	0.9
358.46750	0.4
372.26010	0.5
393.31467	0.5
411.32510	0.8
437.34308	0.7
485.36401	2.1
503.37308	71.2
504.37595	2.9
517.39075	2.9
529.38879	15.7
530.39215	0.8
547.39795	0.9
561.41504	100.0
562.41980	4.1
564.69226	0.5
573.34998	0.4
647.41266	0.7
691.44464	0.6
705.45569	1.6
723.97522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.0
69.03434	4.0
69.07072	3.8
69.37521	2.0
69.37944	1.7
70.02950	3.1
70.06580	1.4
71.05001	0.7
72.04516	9.0
73.02924	5.7
74.02468	0.4
77.03926	0.6
79.05470	2.4
81.03420	8.8
81.07054	1.0
83.04968	3.7
84.04536	0.6
84.08147	1.0
85.02911	3.1
85.06551	4.3
86.06072	0.8
86.09718	2.4
87.08101	1.8
90.05556	20.2
91.05473	0.6
95.04963	5.7
96.08138	1.4
97.02896	6.0
98.02415	9.3
99.04438	2.4
100.03989	2.9
103.07581	2.0
105.04508	0.7
107.04957	91.9
108.04527	0.4
108.05281	1.5
108.08118	0.8
109.02879	17.2
110.03123	0.5
110.09662	1.2
111.04471	0.6
112.07610	1.2
113.06008	3.3
115.03963	0.7
116.03452	12.1
116.04274	0.6
116.10732	1.5
120.08087	0.7
122.06059	0.5
124.07594	14.0
126.05460	0.5
127.03921	6.2
130.08612	1.1
131.07053	0.9
132.06563	6.4
132.10173	0.8
136.07582	0.7
137.05983	0.6
138.05499	1.9
138.09138	1.3
142.07574	0.9
142.08632	10.9
145.04947	3.8
148.07587	0.6
148.47290	0.5
151.03922	0.5
156.10246	1.1
158.04483	1.1
160.09689	4.0
162.07544	0.5
166.08655	5.7
169.05025	0.8
172.09669	3.5
174.11269	3.9
180.06567	0.6
181.04980	1.7
184.09697	23.3
185.10052	0.6
186.89420	0.5
187.06018	0.7
187.75703	0.4
193.08463	0.7
198.07635	2.1
199.06032	2.6
202.10745	55.3
203.11337	1.5
211.09660	6.0
212.16443	0.5
216.08664	2.5
217.07135	1.8
220.11810	13.1
226.10684	1.2
230.10188	5.3
234.09723	5.5
244.11877	2.3
262.12830	10.9
292.06030	2.1
293.06351	0.9
298.12701	0.5
310.12836	4.3
312.08704	2.5
313.09076	1.5
324.08585	0.9
325.08994	0.7
328.13895	56.4
329.14117	1.3
346.14963	17.4
364.16022	100.0
365.16205	2.8
372.76321	0.5
374.21332	0.5
470.20248	11.9
477.16666	0.8
478.16754	0.8
490.19104	1.5
526.21350	1.9
528.49036	0.6
643.24738	0.8
805.29755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.0
69.03434	4.0
69.07072	3.8
69.37521	2.0
69.37944	1.7
70.02950	3.1
70.06580	1.4
71.05001	0.7
72.04516	9.0
73.02924	5.7
74.02468	0.4
77.03926	0.6
79.05470	2.4
81.03420	8.8
81.07054	1.0
83.04968	3.7
84.04536	0.6
84.08147	1.0
85.02911	3.1
85.06551	4.3
86.06072	0.8
86.09718	2.4
87.08101	1.8
90.05556	20.2
91.05473	0.6
95.04963	5.7
96.08138	1.4
97.02896	6.0
98.02415	9.3
99.04438	2.4
100.03989	2.9
103.07581	2.0
105.04508	0.7
107.04957	91.9
108.04527	0.4
108.05281	1.5
108.08118	0.8
109.02879	17.2
110.03123	0.5
110.09662	1.2
111.04471	0.6
112.07610	1.2
113.06008	3.3
115.03963	0.7
116.03452	12.1
116.04274	0.6
116.10732	1.5
120.08087	0.7
122.06059	0.5
124.07594	14.0
126.05460	0.5
127.03921	6.2
130.08612	1.1
131.07053	0.9
132.06563	6.4
132.10173	0.8
136.07582	0.7
137.05983	0.6
138.05499	1.9
138.09138	1.3
142.07574	0.9
142.08632	10.9
145.04947	3.8
148.07587	0.6
148.47290	0.5
151.03922	0.5
156.10246	1.1
158.04483	1.1
160.09689	4.0
162.07544	0.5
166.08655	5.7
169.05025	0.8
172.09669	3.5
174.11269	3.9
180.06567	0.6
181.04980	1.7
184.09697	23.3
185.10052	0.6
186.89420	0.5
187.06018	0.7
187.75703	0.4
193.08463	0.7
198.07635	2.1
199.06032	2.6
202.10745	55.3
203.11337	1.5
211.09660	6.0
212.16443	0.5
216.08664	2.5
217.07135	1.8
220.11810	13.1
226.10684	1.2
230.10188	5.3
234.09723	5.5
244.11877	2.3
262.12830	10.9
292.06030	2.1
293.06351	0.9
298.12701	0.5
310.12836	4.3
312.08704	2.5
313.09076	1.5
324.08585	0.9
325.08994	0.7
328.13895	56.4
329.14117	1.3
346.14963	17.4
364.16022	100.0
365.16205	2.8
372.76321	0.5
374.21332	0.5
470.20248	11.9
477.16666	0.8
478.16754	0.8
490.19104	1.5
526.21350	1.9
528.49036	0.6
643.24738	0.8
805.29755	0.8
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
65.03923	1.4
67.05509	36.6
69.03421	1.9
69.07071	12.7
71.04991	1.5
71.08632	19.9
71.13334	1.4
73.02927	3.7
73.06571	0.5
74.53694	0.4
79.05495	22.4
80.72797	0.5
81.03420	1.0
81.07059	42.0
83.04971	0.9
83.08627	11.1
85.02905	15.5
85.06551	1.5
85.10190	9.7
89.06023	1.6
91.03957	10.7
91.05483	12.9
93.07044	25.1
95.04980	1.6
95.08609	37.9
97.02893	7.6
97.06537	1.4
97.10171	4.9
99.04440	1.3
99.08104	0.7
99.11717	0.8
101.02360	0.7
103.07550	1.2
104.73689	0.5
105.07037	8.0
107.08595	16.9
109.02905	0.7
109.06519	0.8
109.10157	16.9
111.08078	0.7
111.11761	1.0
115.03927	1.1
117.07010	3.3
119.08588	7.0
121.10141	12.8
123.08076	1.0
123.11713	7.8
125.09621	0.6
127.03931	4.1
131.08586	7.1
133.10127	6.1
135.11699	12.3
137.09625	1.0
137.13251	3.4
140.95807	0.5
145.04958	5.6
145.10121	5.5
147.11699	4.1
149.13266	7.9
158.15134	0.6
159.11700	4.8
161.13271	3.6
163.06035	6.3
163.14857	3.9
173.13246	4.7
175.14868	1.0
175.96504	0.6
177.16399	1.9
179.14394	0.6
185.30283	0.6
187.14857	2.1
201.16405	1.3
233.22681	1.3
239.23676	3.5
243.21135	9.1
257.24741	2.2
261.22150	36.8
262.22366	0.8
279.23248	1.1
289.90961	0.6
299.23532	0.6
308.24408	0.6
313.27377	100.0
314.27756	2.7
317.24741	5.9
335.25815	78.2
336.26144	1.8
339.70062	0.6
353.27167	0.8
499.45151	1.1
573.48810	42.1
574.49103	2.6
591.49683	8.0
643.81335	0.7
660.02948	0.6
707.30524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.0
69.03435	3.7
69.07076	0.6
70.67919	0.7
71.01345	0.4
71.05003	0.5
71.08640	1.1
73.02917	3.1
79.05479	1.7
81.03417	1.1
81.07072	2.1
83.08620	0.6
85.02908	5.0
85.03379	0.4
85.10191	0.5
87.04505	0.4
91.03958	3.3
91.05499	0.7
93.07046	1.3
95.08607	2.1
97.02896	4.7
97.03512	0.2
97.10145	0.3
99.04458	0.8
101.02383	1.8
105.07039	0.5
107.08613	0.8
109.02907	0.9
109.10151	0.7
115.03958	0.6
117.07106	0.3
117.15911	0.3
119.08631	0.6
121.10179	0.7
127.03947	1.1
135.11740	0.4
145.05000	0.3
157.11409	0.3
185.04343	0.8
201.03561	0.3
203.05341	1.0
243.08492	1.7
248.77002	0.3
313.27438	0.4
335.25989	0.5
347.09601	1.8
365.10602	0.8
405.13693	4.6
497.30951	3.1
519.29370	4.4
519.37122	0.3
659.36041	3.0
669.45416	0.3
681.34680	6.4
681.46350	0.3
775.53802	1.2
923.97278	0.3
937.58618	100.0
938.58459	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	940.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	86.3
69.03445	3.1
69.07075	17.4
71.48999	4.2
73.02924	5.0
79.05501	59.1
81.03425	3.2
81.06597	5.2
81.07063	86.3
83.08618	10.4
83.10664	2.4
85.02907	24.0
85.06573	2.5
91.03961	21.1
91.05491	33.3
93.07053	61.8
95.04961	4.3
95.08617	83.8
97.02906	13.5
97.06536	4.5
97.10168	6.9
99.40511	2.9
105.07036	31.5
107.08594	42.0
109.02920	3.7
109.06513	2.9
109.10157	36.7
111.08088	3.3
117.07035	11.0
119.08602	29.7
121.10156	45.0
123.11714	15.0
127.03941	7.7
129.07018	3.1
131.08592	25.4
133.10143	25.7
135.11705	26.6
143.08588	6.4
145.05008	13.1
145.06081	2.3
145.10110	14.4
147.11682	16.5
149.13268	15.9
157.10120	4.4
159.11697	19.1
161.12144	2.5
161.13295	16.0
163.06058	13.3
163.14810	7.0
171.11755	6.3
173.13260	12.6
175.14882	4.9
185.13286	7.3
187.14824	8.6
199.14847	4.1
201.16415	2.7
209.01460	2.7
217.19658	3.9
227.17999	6.3
229.19606	4.9
241.19543	4.8
243.21126	6.7
245.18982	7.2
247.20602	17.4
259.20657	8.1
261.22095	19.5
317.24890	4.5
319.22668	5.7
321.24261	97.8
323.25882	16.8
333.24304	12.2
335.25833	100.0
337.27325	9.8
507.41779	8.0
581.45551	40.3
599.46881	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	946.6453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05135	1.7
67.05504	30.3
67.27151	1.3
69.03431	1.5
69.07066	10.4
71.04971	1.5
71.08633	17.2
71.09566	2.9
73.02911	3.6
79.05493	20.0
81.07059	39.1
81.07537	2.3
83.08621	7.4
84.51795	1.1
85.02901	14.5
85.10189	11.9
87.83765	1.1
89.06041	1.7
91.03954	9.4
91.05482	12.9
93.07046	26.5
95.04973	1.8
95.08607	38.6
97.02909	9.8
97.10191	6.3
105.07031	9.4
107.08600	16.6
109.10154	18.1
111.11684	2.8
117.07053	3.1
119.08595	5.9
121.10140	12.0
123.11725	8.4
123.12472	1.4
127.03916	4.1
131.08543	7.0
133.10124	6.6
135.11685	8.0
137.13234	1.6
145.04953	5.7
145.10143	5.0
147.11717	5.0
149.13263	7.2
159.11691	5.4
161.13281	3.5
163.05994	6.6
163.14825	4.5
173.13232	6.8
175.14795	1.4
187.14851	2.2
221.04117	1.5
233.22720	1.4
243.21118	7.8
253.25218	2.4
261.22156	33.7
264.15619	1.3
271.26364	1.4
299.23563	1.5
317.24725	6.1
327.28937	100.0
328.29297	2.8
335.25784	83.0
336.26294	2.5
420.20386	1.3
472.81912	1.5
516.48102	1.3
587.50336	40.0
588.50702	2.2
605.51630	6.7
861.88623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	48.7
69.07076	11.0
70.61989	1.5
71.04980	1.1
71.08637	1.3
75.04449	0.9
79.05495	36.0
81.03400	0.9
81.07059	59.4
83.05001	1.3
83.08604	5.5
85.02867	1.1
85.06520	1.8
91.03926	1.0
91.05486	19.0
93.07044	45.7
95.04967	3.1
95.08610	48.3
97.02900	1.5
97.06535	2.7
97.10149	2.5
98.21469	0.7
98.98470	36.5
99.08075	1.5
105.07038	12.7
106.33814	0.9
107.07886	1.6
107.08594	27.9
109.06512	1.3
109.10162	23.7
111.08086	1.6
112.56689	0.8
117.07032	5.2
118.07803	0.8
119.06068	0.9
119.08590	11.6
121.10148	26.2
121.84827	0.8
123.08048	0.9
123.11712	10.3
125.09602	1.1
129.05531	0.9
129.06924	1.0
131.08580	13.4
133.10132	11.0
135.11702	17.4
137.09639	1.6
137.13239	4.5
139.11180	0.7
141.49971	0.8
145.10123	11.5
147.11696	8.8
149.09627	0.8
149.13258	12.8
151.11118	1.4
155.01053	5.1
159.11702	8.7
161.13239	6.7
163.11078	0.8
163.14812	9.5
165.12738	1.3
173.02142	5.8
173.13277	11.2
175.14845	2.5
177.16418	4.0
179.14365	1.2
187.06638	0.8
187.14844	4.0
191.14259	0.9
201.16353	2.3
205.15941	0.8
215.17944	1.7
219.40816	0.8
233.22644	2.6
243.21100	22.5
261.22150	54.8
262.22635	1.3
279.23260	1.9
317.24789	2.6
335.25806	100.0
336.26132	2.8
353.26837	12.6
354.42154	0.8
415.22366	1.0
434.69751	0.7
497.31238	4.2
778.45410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.4
70.06598	0.9
71.04546	0.1
71.05011	0.2
79.05507	1.0
81.03416	1.1
84.08154	0.2
85.02908	4.1
85.06538	0.4
86.09698	0.3
88.44917	0.2
94.37849	0.2
95.04978	1.0
97.02892	2.4
99.04456	0.8
105.04494	0.5
107.04958	100.0
108.05272	1.3
109.02883	6.5
119.04951	0.3
127.03930	4.5
139.03920	0.6
141.69276	0.2
145.04955	1.5
145.08624	0.4
147.04356	0.2
169.04988	1.2
187.06003	1.4
191.09219	0.3
205.07080	9.8
213.09100	1.7
269.12872	0.2
297.13297	0.5
301.64865	0.2
367.12396	0.2
455.95496	0.2
658.80261	0.2
771.27161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.4
70.04394	0.4
70.06581	0.3
71.04984	0.2
73.02915	0.2
77.03941	0.3
79.05487	1.2
81.03420	2.0
85.02906	6.0
85.06562	0.7
87.47523	0.1
95.04980	1.0
97.02894	1.5
97.16264	0.1
98.21527	0.1
99.04453	0.7
103.03951	0.5
105.04516	0.5
107.04958	100.0
108.05271	1.4
109.02882	3.9
117.58485	0.1
118.33817	0.1
119.04877	0.1
127.03922	5.5
145.04959	1.4
145.08591	0.7
147.04373	0.5
169.04965	1.3
182.57008	0.1
187.06015	2.5
187.07491	0.1
191.09157	0.5
202.71756	0.1
205.07085	15.9
206.07399	0.3
213.09023	0.8
215.07040	0.2
225.35507	0.1
271.08020	0.2
297.13391	0.3
311.11050	0.1
331.10120	0.2
349.11069	0.3
359.13458	0.2
367.12408	0.8
395.15427	0.5
462.82507	0.1
658.27203	0.2
734.53894	0.1
768.87537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00387	0.6
67.05505	37.7
69.03423	0.9
69.07068	17.4
70.06575	1.3
71.04994	1.0
71.08619	2.3
71.48213	0.6
71.48617	0.6
79.05072	0.9
79.05490	12.3
81.03402	1.3
81.07056	46.9
83.04968	1.2
83.08614	12.3
85.02901	1.4
85.06540	1.5
85.10187	0.9
91.03925	0.8
91.05470	7.6
93.07040	13.8
95.04977	1.1
95.08606	39.4
97.02897	1.4
97.06529	4.6
97.10179	5.6
98.98466	27.0
99.08080	1.7
105.04611	0.7
105.07029	6.6
105.77936	0.5
107.04979	0.7
107.08604	7.8
109.06522	0.6
109.10160	18.1
110.10418	0.6
111.08067	2.6
111.11695	1.6
112.68825	0.5
113.09622	1.3
115.07577	0.6
117.62008	0.6
119.08570	6.1
121.10151	10.2
123.08044	1.0
123.11706	7.5
123.24865	0.6
125.09629	1.0
127.11149	0.7
131.08586	0.7
133.10149	7.0
135.11681	6.0
137.09642	1.3
137.13252	3.9
139.11182	0.6
141.12747	1.4
147.11652	4.6
149.13243	3.8
151.11215	1.2
151.14824	2.5
153.12756	1.0
155.01053	14.0
155.14272	0.7
159.11748	0.7
161.13292	4.6
161.47304	0.6
163.14844	3.5
165.12598	0.6
165.16425	3.1
167.14369	0.7
173.02129	5.1
175.14833	3.7
177.16412	0.7
179.14371	0.8
179.17976	2.2
181.15987	0.8
189.16388	1.8
193.16020	0.7
203.18004	1.0
241.60568	0.6
245.22646	18.4
263.23697	34.2
264.24185	0.7
337.27368	100.0
338.27707	2.1
355.28400	1.6
380.15250	0.7
417.24051	1.5
491.71863	0.6
499.32657	6.2
599.60779	0.7
951.59320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	67.8
67.72362	0.9
69.03417	3.4
69.07072	13.5
70.97933	1.8
71.04984	2.1
71.08625	0.7
73.02907	3.9
79.05493	43.9
80.98492	0.7
81.03413	1.6
81.07057	68.3
83.04978	1.3
83.08614	8.1
85.02906	17.5
85.06529	3.1
91.03957	10.6
91.04905	1.4
91.05481	27.1
93.07045	49.6
95.04980	3.7
95.08609	54.8
96.04477	0.9
97.02892	8.6
97.06535	2.1
97.10144	4.5
99.04462	1.1
99.08076	0.9
100.54797	0.7
101.02357	0.8
103.05430	1.0
105.04507	1.2
105.06316	1.3
105.07030	24.1
107.07882	1.7
107.08593	26.5
109.06472	0.8
109.10164	23.4
109.55643	0.7
111.08066	1.5
111.11712	1.0
113.09679	0.9
115.05460	0.9
117.07021	11.0
119.07712	0.9
119.08584	19.5
121.10144	23.4
123.08077	1.7
123.11710	8.7
125.09620	1.7
127.03940	3.5
128.06184	0.8
129.07001	2.5
131.08578	14.9
133.10138	16.7
135.11699	15.9
137.09624	0.9
137.13249	3.6
139.11209	0.8
143.08578	2.2
145.04993	7.4
145.10129	11.2
147.11696	12.4
149.13278	9.8
151.11186	0.9
151.14833	1.6
157.10159	2.2
158.93370	0.8
159.11688	9.7
161.13252	9.5
163.06039	8.4
163.14798	4.5
165.65042	0.9
171.11717	3.9
173.13263	8.8
175.14810	4.8
177.16405	2.1
185.13271	2.5
187.14859	3.5
189.16393	1.9
197.13307	0.9
199.14902	2.8
201.16420	1.8
211.14838	0.8
213.16464	1.4
217.19533	0.9
229.19272	0.8
231.21124	1.0
241.19527	3.6
243.21092	6.7
247.62163	1.0
258.22919	0.7
259.20590	11.1
261.22153	23.1
263.23752	1.5
277.21750	1.3
279.23132	1.1
287.23822	0.9
299.23535	0.8
305.24741	0.8
313.25037	1.0
315.23242	0.8
317.24857	3.7
320.07764	0.8
327.26877	0.8
333.24265	9.9
335.25803	100.0
336.26114	1.5
337.27420	15.5
375.47592	0.8
442.67944	0.8
503.42627	1.2
521.43329	2.6
539.44690	1.1
543.40723	1.1
595.47168	17.8
596.47327	1.6
613.48309	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	954.6143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	85.4
69.03425	10.8
69.07067	19.7
69.73121	5.4
69.79853	1.0
71.01374	1.5
71.04987	4.3
73.02908	2.6
79.05493	65.5
81.03416	12.5
81.07056	100.0
83.04990	5.4
83.08604	11.2
85.02908	10.0
85.06541	4.0
91.05482	45.1
93.07044	84.5
95.04961	8.9
95.08609	76.2
97.02890	8.9
97.06534	4.2
97.10156	4.7
98.20772	2.3
99.04436	2.9
99.08080	2.6
103.05460	2.2
105.04536	1.5
105.07030	35.2
105.07701	2.5
107.04965	2.9
107.08594	46.7
109.02863	2.5
109.06512	4.4
109.10158	37.3
110.63734	1.0
111.04442	5.0
111.08054	2.2
113.09641	2.2
115.05460	2.5
116.06228	1.4
117.07021	19.3
118.28813	1.0
119.08585	32.0
121.06527	3.6
121.10141	41.0
122.42949	1.1
123.04411	1.6
123.08070	3.5
123.11707	16.0
125.09641	1.5
127.03909	3.4
128.06250	2.7
129.05461	1.9
129.07005	8.0
130.07803	1.5
131.08569	31.8
133.06503	2.3
133.10141	23.3
135.08041	2.9
135.11691	32.0
137.09596	1.9
137.13261	4.5
139.11163	2.3
141.06970	3.5
142.07729	1.7
143.08560	9.2
145.05045	1.5
145.06404	1.4
145.10124	27.8
147.08031	3.2
147.11678	17.7
149.09602	2.2
149.13263	22.2
151.07593	1.6
151.11147	1.6
151.14818	1.9
153.12796	1.5
155.08563	3.8
157.06451	2.0
157.10115	7.1
159.11697	23.3
161.05998	1.4
161.13257	17.1
163.11235	2.3
163.14821	12.0
165.12744	2.6
167.08548	1.7
169.10092	3.8
171.08057	1.8
171.11685	4.9
173.13240	19.7
175.11223	2.8
175.14810	6.6
177.12743	2.8
177.16374	4.1
179.14259	1.8
181.10115	1.9
183.11667	4.3
185.09653	1.7
185.13293	4.0
187.11189	2.1
187.14825	10.0
189.12733	1.5
191.14349	1.6
193.10159	1.2
195.11671	1.4
197.13223	2.2
199.14806	2.1
201.12679	2.2
201.16380	2.6
205.15996	1.3
211.14807	1.3
212.91373	1.1
213.16330	1.6
215.14288	1.4
215.17938	2.0
217.12195	1.5
219.13824	1.2
221.13303	1.2
223.14830	1.6
223.16806	1.3
225.12804	2.2
231.17398	1.7
233.15001	1.4
233.22549	1.7
241.19716	1.4
243.18796	2.0
243.21104	23.1
249.14780	2.8
259.20532	3.1
261.22141	73.4
271.20685	2.1
273.22144	1.4
277.14297	2.4
277.21573	6.0
279.23206	4.8
287.23453	1.5
289.21558	2.5
291.23218	3.2
295.15387	1.8
297.22198	2.0
298.75519	1.4
301.21576	3.2
303.23163	4.8
313.21552	1.5
315.23123	3.9
319.22614	2.6
323.23615	1.3
327.23212	3.2
335.25812	21.5
341.24698	4.0
345.24017	3.0
351.23111	5.7
353.26849	28.0
354.27191	2.1
359.25815	2.5
369.24295	21.0
387.25320	12.3
405.26294	18.4
423.27438	9.5
460.90262	1.3
497.31027	2.2
757.51184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	86.2
69.03422	3.3
69.07067	30.9
71.04977	2.8
71.08623	1.9
73.02911	6.0
79.05493	45.6
81.03419	2.4
81.07056	100.0
83.04958	2.4
83.08625	18.1
85.02904	26.5
85.06536	3.8
85.10211	1.4
88.93531	1.1
91.03963	18.0
91.05473	28.9
92.32087	1.0
93.07046	55.3
95.04965	3.6
95.08607	82.2
97.02882	12.0
97.06530	4.6
97.10165	11.6
99.04449	1.9
99.08094	2.4
105.07030	25.1
107.08595	32.3
108.09001	1.0
109.10159	35.9
111.08086	3.5
111.11732	1.6
113.09663	1.7
117.07014	8.0
119.08583	22.9
121.09332	2.4
121.10143	25.7
123.08081	1.4
123.11711	15.4
125.09640	2.4
127.03928	6.1
128.06197	1.0
129.07022	1.6
130.07771	1.2
131.08571	14.0
133.10123	16.9
135.11691	18.0
137.09557	1.1
137.13226	7.0
138.62160	1.1
143.08514	2.7
144.06517	1.1
145.04973	8.2
145.10133	10.5
147.11700	13.4
149.13268	12.1
151.14810	2.4
153.12735	1.1
157.10161	1.3
159.11691	10.2
161.13258	9.7
163.06018	9.9
163.14825	7.4
164.05080	1.1
165.16370	1.8
171.11720	2.9
173.13271	7.3
175.14789	5.6
177.16374	3.9
179.14323	1.1
185.13264	1.4
187.14804	4.7
189.16350	2.8
191.18060	1.4
201.16370	3.2
208.55841	1.1
215.17967	1.3
217.19588	1.4
231.20940	1.3
236.27650	1.2
241.19588	2.8
243.21143	8.1
245.22607	3.0
259.20663	7.6
261.22125	26.3
263.23779	5.6
271.24213	1.1
273.22351	1.5
279.23166	1.7
289.25311	1.3
299.23499	1.5
317.24692	3.9
319.26511	1.2
333.24301	7.7
335.25797	85.4
336.25958	2.6
337.27362	87.8
338.27655	2.6
339.29028	8.3
363.28455	1.1
456.05981	1.5
523.44952	5.4
541.45782	3.8
597.48755	43.0
598.48663	1.8
615.49823	55.2
616.49634	2.2
869.61194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.7
68.99752	0.4
69.03424	4.5
69.07068	6.7
70.06577	1.5
71.04984	1.0
71.08630	0.5
71.48964	0.5
72.08147	2.6
73.02908	0.7
73.06552	0.5
77.03922	0.6
79.05493	3.7
81.03410	4.3
81.07048	3.3
81.16545	0.4
83.04976	0.6
83.07326	0.4
83.08624	2.9
84.04511	0.5
84.08141	1.3
85.02903	4.5
85.06539	0.6
86.06065	19.3
87.00826	1.5
91.05476	0.7
91.84074	0.3
93.07035	2.5
95.04948	2.2
95.08596	2.3
96.08115	2.2
97.02885	2.6
97.06534	2.6
97.10153	0.5
98.06040	0.8
98.09691	6.2
99.04453	1.5
101.06034	0.4
105.04527	1.1
105.07040	0.6
107.04952	100.0
107.08578	1.9
108.05299	1.4
108.08113	1.6
109.02869	2.6
109.06496	0.5
109.10159	1.1
110.09702	0.5
111.08061	0.9
114.09193	0.8
115.07565	2.5
116.10728	40.6
117.06962	0.4
120.08116	0.5
121.10131	0.8
122.09652	2.2
123.11714	0.4
124.07594	0.9
125.09596	0.5
127.03915	4.0
129.10175	0.4
131.04935	1.3
131.08553	0.5
136.11176	0.5
138.09087	0.6
140.10664	1.3
142.08589	1.2
145.04968	1.1
149.13252	2.4
152.10687	0.5
158.11758	0.5
159.02924	0.6
159.11630	0.7
167.14316	1.0
176.98634	0.4
178.04999	1.2
187.05811	0.4
212.16411	2.8
230.17542	0.4
231.15921	1.5
238.18106	0.7
239.16490	1.4
250.21600	0.4
256.19098	1.3
257.17465	4.0
262.21652	0.4
268.22830	0.5
274.21625	0.6
292.22794	1.7
310.20367	0.8
310.23779	11.1
320.16977	0.5
328.24814	66.5
329.25204	1.7
343.61050	0.4
424.30484	1.1
434.29095	1.1
442.31580	4.2
460.21756	1.1
490.30347	2.8
532.30988	5.6
533.32141	0.4
558.29425	0.5
576.30139	60.4
577.30255	2.2
596.34027	3.2
646.38513	0.6
672.35840	0.7
682.34326	2.5
690.36975	4.9
738.35022	1.7
758.39520	0.7
782.44556	0.5
800.40277	0.6
844.24725	0.3
844.39362	8.6
845.40277	0.6
897.78522	0.4
958.45111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.4
69.03432	3.1
69.07077	0.6
71.04984	0.7
71.48096	0.9
73.02934	3.1
79.05517	1.9
81.03418	0.9
81.07053	2.6
82.06127	0.5
85.02908	5.5
91.03954	2.7
91.05510	1.3
93.07041	2.5
95.08630	2.5
97.02899	4.2
99.04446	1.0
101.02377	1.8
105.07052	0.9
107.08631	1.2
109.02894	0.8
109.10181	0.8
118.64761	0.5
119.08557	0.5
121.10198	0.5
127.03951	1.9
131.08603	0.6
135.11757	0.8
145.10179	0.5
149.95314	0.6
203.05203	0.5
208.65938	0.5
243.08496	1.5
347.09750	1.7
365.10596	0.6
405.13675	4.3
405.55200	0.5
459.03470	0.6
519.29254	6.2
681.34778	7.9
777.53833	0.6
797.53705	0.7
899.80542	0.6
959.57019	100.0
960.57257	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	960.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.3
69.03436	2.9
69.07082	0.7
71.04961	0.3
71.08638	3.0
75.53465	0.1
77.03947	0.4
79.05495	2.1
81.02934	0.2
81.03419	3.5
81.07061	2.0
83.08630	1.4
85.02512	0.1
85.02906	2.9
85.06547	4.3
85.10188	1.8
93.07024	0.2
95.04978	1.5
95.08609	3.3
97.02894	4.0
97.10173	0.5
98.04659	0.1
99.04469	0.7
105.04507	0.8
107.04960	100.0
108.05280	0.9
109.02889	2.2
109.06543	0.2
109.10163	1.7
111.04464	0.4
111.11670	0.2
113.13210	0.2
123.11708	0.5
127.03922	5.0
127.07544	0.2
137.13293	0.3
145.04959	2.5
145.08604	2.0
150.17570	0.1
165.09187	0.2
173.09691	0.3
175.07590	0.2
191.09128	0.4
193.08636	0.5
211.09691	0.5
211.13239	0.3
221.22678	0.2
239.23692	4.3
257.13858	2.7
257.24719	0.7
299.25943	0.2
329.26874	0.2
365.27063	0.5
383.27930	6.0
401.28998	17.4
402.29391	0.5
449.32721	0.2
467.33591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.6617
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	37.6
69.03426	2.9
69.07070	11.1
71.04987	1.5
71.08637	19.9
71.48956	1.6
73.02907	4.2
79.05497	20.9
81.03392	1.7
81.07060	42.8
83.04961	1.1
83.08617	10.5
85.02911	17.4
85.06559	1.8
85.10187	12.8
90.31107	1.0
91.03958	11.1
91.05486	12.2
93.07047	28.7
95.04965	3.0
95.08611	42.6
97.02895	9.4
97.06522	1.3
97.10163	6.9
99.04518	1.4
103.07644	1.1
105.07041	9.5
107.08601	16.3
109.10159	18.4
111.11729	2.0
117.07018	3.9
119.08592	7.1
121.10152	14.4
123.08080	1.1
123.11703	6.7
127.03930	5.4
131.08549	7.3
133.10161	6.1
135.11693	10.7
137.13243	3.2
145.04974	3.4
145.10153	5.9
147.11681	4.2
149.13258	7.6
159.11667	4.5
159.47762	1.0
160.72893	1.1
161.13312	5.0
163.06058	5.8
163.14799	3.6
173.13318	5.6
175.14850	2.2
177.16383	2.3
187.14891	1.4
201.16418	2.0
233.22571	1.2
243.21152	10.8
261.22168	39.8
267.26883	2.4
285.27747	1.6
317.24655	5.0
335.25815	86.4
336.26053	2.7
341.30530	100.0
342.30750	3.0
520.29358	1.1
583.09320	1.1
601.51941	42.8
602.52283	2.1
619.52527	7.3
666.42688	1.2
960.57135	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	961.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.2
67.49606	0.4
69.03441	3.7
69.07078	1.7
71.01367	0.5
71.05084	1.3
71.08623	1.5
73.02924	4.0
79.05499	3.1
81.03423	1.3
81.07059	5.6
83.08617	0.9
85.02904	5.6
85.10194	0.6
91.03952	4.0
91.05504	1.9
92.48746	0.4
93.07050	3.0
95.08620	4.6
96.08973	0.7
97.02893	5.6
99.04505	0.7
101.02378	2.3
105.07041	0.9
107.08614	1.4
109.02886	0.6
109.10194	2.3
117.07034	0.5
119.08600	1.0
121.10164	1.1
123.11757	0.8
127.03953	1.9
131.08600	0.5
133.10182	0.8
135.11690	0.8
149.13283	0.6
159.11848	0.7
163.06097	0.5
185.04263	0.9
203.05293	0.7
243.08327	2.7
255.49202	0.5
261.22311	2.0
262.22614	0.6
335.25742	3.3
336.26334	1.8
341.30502	3.7
342.30817	2.3
347.09747	1.8
365.10849	0.7
405.13647	4.3
435.25024	0.5
519.29419	3.6
521.30865	3.3
601.51459	0.6
602.52606	2.0
620.53754	0.7
681.34491	4.3
683.36133	3.2
799.52386	0.9
961.58624	100.0
962.59088	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	964.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	44.4
69.03432	8.5
69.07072	21.1
71.01346	1.2
71.04983	3.8
71.08636	25.9
73.02901	3.0
73.46308	0.8
77.34711	0.9
79.05495	30.3
81.03419	8.6
81.07057	55.8
82.07370	1.1
83.04985	9.7
83.08620	17.9
85.02909	10.6
85.06545	1.5
85.10188	19.5
89.06059	1.5
91.03946	3.8
91.05486	27.3
91.06030	1.9
93.07046	35.6
95.04966	6.5
95.08609	41.6
97.02891	6.2
97.06530	6.9
97.10173	10.1
98.21535	1.8
99.04460	2.6
99.08090	3.3
103.07591	1.2
105.04513	1.3
105.07037	23.1
107.04935	5.4
107.08603	21.9
109.02905	2.1
109.06522	4.4
109.09473	0.7
109.10150	20.1
111.04459	1.1
111.08094	3.9
111.11720	2.1
113.09689	1.0
114.51685	1.0
117.07026	12.7
119.08585	14.2
121.06512	2.6
121.10157	11.7
123.08070	3.4
123.11733	6.2
125.09631	3.0
127.03936	5.8
128.06226	1.8
129.05490	1.8
129.06975	5.4
131.08554	16.1
133.06459	1.5
133.10138	14.5
135.08058	3.9
135.11707	10.5
137.09630	2.5
137.13258	2.4
141.06961	1.2
143.08557	4.0
145.04965	2.6
145.06470	1.7
145.10114	12.6
147.11668	8.2
149.09631	6.7
149.13263	7.8
155.08586	1.4
156.22853	1.0
157.10126	2.7
159.11700	12.6
161.09637	1.4
161.13252	1.8
163.06062	1.3
163.11143	4.7
165.12723	1.6
169.10172	2.2
171.11717	3.1
173.04457	3.2
173.11856	1.3
173.13176	5.0
175.11201	1.5
177.12791	2.8
179.14268	1.1
183.11736	1.6
185.13217	1.7
195.13829	4.1
197.13406	1.5
199.14868	2.0
200.87439	0.9
201.16438	1.0
205.03267	1.0
217.15881	3.4
219.17491	1.3
227.12759	4.9
229.14465	4.4
229.19493	1.3
235.16969	1.1
239.17978	3.2
239.23729	3.1
247.20552	2.5
251.16505	1.3
255.15901	12.6
257.18973	10.0
257.24783	2.3
267.15915	2.7
269.17505	34.2
275.20056	28.2
291.19516	2.5
293.17792	1.1
293.21219	2.6
309.20642	2.3
313.27380	100.0
314.27731	3.0
331.22708	2.7
349.23752	29.7
367.24716	4.2
413.21713	3.3
467.37299	4.6
483.36874	1.5
491.41394	1.5
493.27612	1.4
493.38953	18.6
507.40475	79.7
508.40707	2.4
511.29654	1.1
529.42413	1.2
547.43677	12.0
587.46729	38.6
588.46826	1.4
605.47675	14.3
651.44659	3.2
726.43744	1.1
749.51184	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	965.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.6
69.03433	4.5
70.06595	1.4
71.48325	0.7
71.89982	0.5
73.02905	0.7
81.03440	1.8
84.08147	1.1
84.58707	0.5
85.02911	5.0
86.09712	1.4
87.04467	1.4
88.71140	0.4
91.05482	0.9
93.05797	0.6
93.07078	0.6
93.74527	0.4
94.06551	1.1
95.04996	0.5
97.02907	2.5
99.04495	0.5
105.07041	0.8
107.04959	11.6
108.05306	0.7
108.08122	8.6
108.08804	0.9
109.02888	1.4
120.08121	1.4
121.06511	0.5
122.06054	1.9
124.07549	0.7
127.03886	1.1
129.10184	0.6
131.04982	0.5
134.06030	0.6
135.22061	0.5
136.07584	11.7
137.06000	0.9
145.04965	0.5
147.04453	0.9
148.07619	0.9
148.89401	0.4
152.07056	0.6
152.46237	0.5
164.07082	2.0
174.09164	0.5
204.10106	0.8
204.26895	0.5
220.77579	0.5
221.10710	0.6
227.08247	0.7
234.11794	0.6
235.08781	0.8
235.12236	0.7
236.09494	0.7
237.10289	1.8
238.10774	0.5
239.11902	0.6
248.09666	0.9
249.10263	3.3
250.11052	2.3
251.08168	0.8
251.11827	4.2
261.10318	0.9
262.11102	1.8
263.08862	0.7
263.11792	6.0
264.12515	0.7
265.09756	3.4
265.13226	1.2
267.11276	1.1
277.09692	5.8
278.10535	1.8
279.11346	5.2
280.12228	1.0
281.12881	1.6
283.10944	0.9
289.09720	1.2
290.10538	1.2
291.11267	8.7
292.12143	1.9
293.09650	0.8
293.12833	4.7
295.10773	1.7
299.14182	1.0
303.11267	0.6
305.09073	0.5
305.12845	1.0
307.10855	1.9
309.12540	1.1
312.15146	0.6
313.15811	0.7
319.10764	2.5
323.10364	0.5
324.11163	2.7
324.14899	0.8
325.11902	2.7
325.15543	0.6
326.13052	1.2
326.16595	1.1
327.13745	0.8
328.14761	0.7
335.10123	0.7
336.11215	1.7
337.11734	4.6
338.12772	1.5
339.13834	1.9
340.14517	4.8
340.18170	0.8
341.11499	0.6
341.15176	1.8
342.16162	1.3
349.11713	0.5
352.14639	2.0
353.11664	1.0
353.15707	0.9
354.12515	2.3
354.16260	1.8
355.13220	1.9
355.17093	0.9
356.13928	1.9
356.17862	1.5
364.14346	0.7
366.12338	1.1
366.16296	1.2
367.13104	2.3
367.17447	0.7
368.13837	6.1
368.17438	0.6
369.14713	1.9
370.15390	3.9
371.16339	0.7
372.17111	0.7
378.15842	0.5
380.13849	2.1
381.14749	2.0
382.11453	0.9
382.15588	5.5
383.16660	2.4
384.13000	0.7
384.17267	3.3
385.17862	0.7
386.18896	2.9
394.15698	1.3
395.16678	1.0
396.12637	2.6
396.17929	2.4
397.14246	1.7
398.14902	2.1
398.19003	1.7
400.16623	3.0
408.13333	1.4
408.22171	0.5
409.14243	0.9
410.14984	3.5
411.15918	1.8
412.16663	5.6
413.17535	2.4
414.13589	0.6
414.18674	2.6
415.19022	0.8
416.20029	2.3
418.17764	0.7
422.15085	1.0
424.16663	2.0
426.18857	2.2
428.16013	4.9
440.16187	1.0
441.16531	0.6
442.13181	1.4
442.17740	4.3
443.18472	1.6
444.19431	6.6
446.17004	2.9
447.17184	0.6
452.16199	1.4
455.15109	0.6
456.15463	1.6
458.17346	0.9
459.18005	0.9
460.18646	4.7
468.15759	0.8
470.17120	10.9
471.17816	1.2
472.18915	1.0
486.16641	2.2
487.17401	6.0
488.18182	35.3
489.18716	1.6
498.69064	0.5
565.24756	1.1
591.21490	0.8
593.24030	0.8
604.22778	1.0
609.23499	9.4
610.24530	0.7
630.21075	0.9
631.21625	1.3
632.22406	6.2
641.25952	0.9
648.21912	1.7
649.22778	12.6
650.23468	100.0
651.23804	5.3
680.24609	1.1
681.25323	1.5
682.26111	0.8
690.92188	0.6
727.29718	1.8
753.27209	3.0
771.28748	11.1
772.29199	0.9
794.27643	0.5
803.29407	0.6
812.28442	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	966.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.5
69.03431	1.7
69.07068	8.1
70.06586	0.3
71.04981	0.4
71.08630	3.5
71.48418	0.4
73.02924	0.3
77.03922	0.4
77.38902	0.2
78.16437	0.2
78.72155	0.2
79.05495	1.7
81.03410	0.9
81.07057	4.1
83.04935	0.4
83.08617	7.1
85.02905	10.8
85.06534	0.4
85.10183	0.4
86.09707	0.3
91.03969	0.4
91.05494	0.7
93.07047	1.5
95.04970	1.4
95.08607	4.0
97.02901	3.0
97.06518	0.6
97.10172	4.5
99.04447	0.5
99.08089	2.7
105.04522	0.5
105.07023	0.9
107.04956	100.0
107.08591	1.1
108.05289	1.5
109.02881	1.0
109.10160	2.6
111.08092	0.3
111.11711	3.0
119.08572	1.4
121.10159	1.5
123.08105	0.3
123.11697	1.7
125.09566	0.6
125.13266	1.1
127.03928	2.1
127.07545	0.3
129.09186	0.3
131.04919	0.4
131.08611	0.3
133.10152	1.1
135.11694	1.1
136.07538	0.3
137.09633	0.8
137.13269	0.5
139.11125	0.4
139.14842	0.3
145.04958	4.3
147.11697	1.1
148.96675	0.2
149.13274	1.0
151.11130	0.7
153.12747	0.4
157.12425	0.2
161.13266	1.0
163.06047	1.5
163.14818	0.8
165.09111	0.9
165.12769	1.1
171.57259	0.2
175.14819	1.0
177.16362	0.5
179.14336	0.8
181.15878	0.4
189.16476	0.6
193.15877	1.0
199.16896	0.3
203.17931	0.7
205.19499	0.3
207.17484	0.7
221.18997	0.5
223.20593	2.5
240.31773	0.3
257.54987	0.2
259.24222	1.0
261.08481	0.3
277.25247	1.6
295.26324	28.7
296.26743	0.6
311.18018	0.2
313.27365	26.1
314.27777	0.6
321.27945	1.0
325.11331	2.1
333.89066	0.3
339.29031	0.9
357.30002	7.4
358.30374	0.4
371.48792	0.3
428.53174	0.3
484.14938	0.3
498.18478	0.6
499.17212	0.3
501.17035	0.3
676.26190	0.8
677.26788	2.8
809.36066	0.3
821.09326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.9
70.06599	1.4
70.77069	1.0
70.77404	0.8
81.03449	1.1
81.07035	0.9
85.02906	1.3
86.09730	0.6
86.22266	0.6
91.05491	1.2
93.05808	0.9
93.07067	2.2
94.06563	4.5
95.07344	1.4
95.08591	0.6
96.08154	4.5
97.02897	1.2
105.07054	0.9
106.06551	0.9
107.04961	8.6
107.07314	0.7
108.04496	2.1
108.05205	0.8
108.08123	8.2
109.02871	1.3
110.09692	5.9
113.90612	0.6
116.04969	2.1
120.04471	3.0
120.08121	5.4
122.06028	5.3
122.09663	0.9
124.07589	4.2
127.03936	0.8
131.04967	0.9
134.06041	2.4
136.07584	8.9
138.09149	9.6
144.04486	3.8
146.06020	5.7
148.07608	2.8
150.09187	1.2
152.07076	2.0
152.50507	0.7
160.04024	3.5
162.05504	3.4
164.07138	1.2
166.07243	0.6
166.08655	14.6
172.03935	16.2
174.05569	2.7
176.07097	2.9
182.09724	1.0
187.08821	0.7
190.04999	15.2
197.10762	1.7
198.11446	0.9
199.12337	1.7
204.06564	33.7
205.06845	0.9
206.08260	0.8
209.10782	0.9
210.09283	1.5
211.08801	2.2
211.12299	0.8
212.09453	1.6
213.10249	1.3
224.09402	0.9
225.10216	7.4
226.10977	1.1
227.11790	12.6
235.08693	0.9
236.09500	1.1
237.10312	2.8
238.11067	2.1
239.11790	3.7
241.09807	2.3
241.13353	1.1
249.10268	1.7
251.08281	1.1
251.11971	2.3
252.08913	1.0
253.09796	5.7
253.13431	0.8
255.11368	2.3
263.08249	1.2
263.11661	0.7
264.09003	2.2
265.09821	2.6
266.10529	1.5
267.11322	2.2
269.12842	16.7
269.15549	1.0
271.10788	8.7
273.12262	4.5
277.09860	1.7
278.47797	0.6
279.11234	5.4
281.09479	1.1
281.12808	1.2
283.10736	6.5
284.11487	4.0
285.12430	6.1
286.13437	1.4
287.05511	1.3
287.13928	14.2
295.10748	2.6
297.12424	9.5
299.13937	4.9
300.11349	0.7
301.66855	0.7
307.10825	2.4
309.12372	1.5
311.10483	1.1
312.15094	1.5
313.12576	1.4
314.13287	1.4
315.13803	1.4
316.10938	1.2
316.14554	1.8
317.15570	0.9
321.08783	0.9
321.12262	1.2
323.10266	7.4
325.11829	19.2
325.15448	1.3
326.12347	2.1
326.16525	1.2
327.13666	3.1
327.17252	1.2
328.10809	3.0
328.14548	2.8
329.11627	0.8
329.15210	1.5
330.12521	1.1
330.16129	2.9
331.13293	0.8
331.16895	1.6
335.10101	0.9
337.11902	0.7
339.13818	1.0
340.14444	1.1
341.12064	1.1
342.12473	5.3
342.16080	1.0
343.13120	6.9
344.17670	1.1
352.14661	0.8
354.16144	1.5
355.13605	1.8
356.13922	6.5
357.14450	21.7
358.15561	5.3
359.16364	0.7
360.17377	1.0
365.11789	0.9
367.13538	0.9
370.11807	1.3
370.15631	4.6
371.16156	1.7
372.17209	1.5
378.18176	1.8
380.13992	1.2
382.11682	2.9
383.12686	2.4
384.13452	4.7
384.17645	1.3
385.14105	3.0
386.14990	2.3
386.19370	4.1
388.16602	1.1
390.18213	3.9
394.15872	1.0
396.17395	0.9
398.15030	20.0
399.15784	32.8
400.16559	2.3
402.18411	1.5
404.16034	7.4
412.16754	2.7
414.18170	4.2
416.16019	18.9
417.16492	1.3
418.17844	0.9
422.16425	1.3
428.16193	4.9
430.17502	4.2
431.18774	0.7
440.16043	9.7
446.17151	7.9
447.18304	0.9
458.10583	1.4
458.17120	29.9
459.17264	1.5
460.18903	0.8
472.18774	1.0
478.19885	2.4
487.17102	8.8
490.19763	11.2
519.19904	1.3
541.24255	1.3
551.23059	1.5
565.24542	1.5
567.25787	1.2
569.23999	6.4
583.25702	1.2
593.24036	4.8
594.23840	0.8
608.22076	0.8
611.25024	100.0
612.25403	5.8
620.22406	2.1
643.27673	35.7
644.28082	1.8
745.30762	2.3
755.28918	1.6
773.30280	51.9
774.30304	3.1
805.32861	9.5
858.46600	0.7
935.35492	1.4
967.37244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
69.03427	1.0
69.07071	0.6
69.19297	0.8
69.19720	0.5
71.04981	0.3
71.08637	1.1
77.03925	0.5
79.05489	1.7
81.03419	1.5
81.07053	1.1
83.04952	0.1
83.08618	0.3
85.02917	1.1
85.10181	0.8
91.05483	0.2
93.07034	0.3
95.04973	1.6
95.08599	1.3
97.02894	2.4
97.03514	0.1
97.10119	0.2
99.04462	0.3
105.04510	0.7
105.06992	0.1
107.04955	100.0
107.13736	0.1
108.05260	0.9
109.02885	0.9
109.10150	0.5
121.02832	0.1
122.09128	0.1
123.11755	0.4
127.03904	1.7
142.08606	0.2
145.04973	1.3
145.06119	0.2
149.05983	0.1
161.06017	0.3
185.05875	0.2
187.07582	0.3
194.37134	0.1
203.07021	0.2
213.09167	0.3
215.07056	0.5
225.22136	1.8
233.08212	0.2
243.23260	0.2
291.42322	0.1
351.25369	0.3
369.26471	1.4
387.22446	0.2
387.27429	4.8
388.27628	0.2
425.15881	0.1
459.72681	0.1
475.30832	0.2
938.39459	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	969.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05185	0.3
67.05509	3.6
69.07069	3.2
69.83978	0.8
69.84263	0.2
71.04995	0.3
71.08633	12.7
72.66029	0.2
73.06543	0.2
75.04481	0.3
79.05466	0.5
81.07058	5.8
83.04948	0.2
83.08622	4.7
83.09119	0.3
85.06529	0.3
85.10183	8.0
88.28030	0.1
89.06030	1.6
91.05460	0.1
93.07052	0.4
95.08607	7.8
97.06506	0.2
97.10164	2.4
98.98469	3.3
99.08087	0.2
99.11739	0.5
100.43636	0.1
103.07589	1.1
107.08603	0.3
109.10160	3.7
111.08026	0.2
111.11721	0.5
117.09099	0.3
123.11725	1.4
124.85070	0.2
125.09652	0.2
125.13240	0.2
131.10667	0.2
135.11655	0.2
137.13246	0.7
139.14702	0.2
149.13226	0.3
151.14914	0.2
155.01051	1.6
173.02095	0.5
214.26613	0.1
239.23779	1.0
247.05800	0.3
257.24750	1.8
298.27182	0.2
300.87039	0.2
313.27362	100.0
314.27740	2.0
449.26602	1.9
556.96442	0.2
629.98096	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	970.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	20.5
71.04984	4.9
71.48980	4.1
73.02917	4.7
73.10436	4.0
78.02402	3.7
79.05498	73.5
81.03410	7.9
81.07063	86.2
83.05009	6.4
83.08616	14.2
85.02905	19.8
85.06510	4.1
87.04484	4.0
91.03960	8.2
91.05479	68.7
93.07044	89.5
95.04979	11.1
95.08614	66.1
97.02895	7.3
97.06564	7.5
97.10152	5.7
99.04482	4.1
105.04588	4.5
105.07030	65.7
107.08597	48.8
109.10155	30.8
111.08067	5.1
117.07043	16.4
119.08589	46.5
121.10157	40.8
123.11691	6.3
127.03944	4.6
128.06187	3.8
129.07007	10.6
131.08569	31.6
133.10146	45.6
135.11708	22.3
143.08592	9.2
145.10144	21.6
147.11697	38.3
149.09634	5.5
149.13260	14.8
150.55620	3.8
155.08565	4.9
157.10135	12.2
159.11678	27.7
161.13268	24.3
163.06004	4.6
163.14838	6.5
169.10149	7.0
171.11687	16.0
173.13316	13.6
175.14824	12.1
183.11671	5.3
185.13234	11.3
187.14880	6.9
189.16364	4.8
197.13301	3.5
199.14865	6.7
231.21085	4.4
239.17857	4.6
241.19504	17.9
243.21030	5.5
257.19025	6.1
259.20599	57.1
261.22165	11.1
276.42825	3.5
277.21671	6.6
315.23157	6.8
333.24225	51.9
335.25818	100.0
336.26367	5.0
337.27420	5.7
519.41815	9.4
593.45453	17.1
608.49152	3.7
611.46686	83.2
624.39954	5.0
673.59314	4.6
701.47180	8.0
896.83331	4.5
970.56146	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	970.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	4.3
69.07067	17.1
69.07420	1.2
69.22598	7.4
71.01348	0.9
71.04998	2.4
71.08652	1.0
73.02904	3.8
77.03920	1.7
79.05495	52.3
81.03419	4.8
81.07059	65.6
82.07442	1.0
83.04984	3.9
83.08614	8.2
83.08980	0.7
85.02906	12.6
85.06564	3.7
91.03957	5.5
91.04906	1.9
91.05483	40.2
93.07047	59.6
95.04986	6.8
95.08610	53.1
97.02885	7.3
97.06538	4.1
97.10188	4.3
99.04485	2.0
99.08119	2.0
100.61800	0.8
101.02376	1.0
103.05472	1.2
105.04539	1.8
105.07034	40.1
107.08596	34.4
109.02901	1.3
109.06554	4.0
109.10164	23.1
110.95488	0.8
111.04476	0.9
111.08102	2.6
115.05476	1.4
117.07014	12.2
119.08585	29.0
121.06594	1.7
121.10150	29.2
123.08105	2.5
123.11714	6.2
125.09669	2.4
127.03868	4.2
128.06232	1.0
129.06989	5.1
131.08572	22.3
133.10136	25.5
133.11096	1.7
134.10489	1.0
135.08060	1.1
135.11703	20.3
137.09633	2.0
137.13219	2.1
141.07077	0.9
142.07848	1.3
143.08578	6.1
145.04988	3.1
145.10129	17.7
145.11166	1.4
147.11694	17.7
147.12796	1.2
149.09692	2.3
149.13261	9.2
151.11285	1.9
155.08508	1.3
157.10127	5.3
159.11700	15.1
159.12891	1.3
161.13255	11.2
163.06055	2.1
163.11234	2.0
163.14891	3.4
169.10220	1.4
171.11703	6.4
173.13307	8.6
175.11227	1.7
175.14836	5.8
177.12808	1.5
177.16408	1.6
179.14357	2.3
183.11781	2.1
185.13287	5.1
187.14804	8.2
191.14354	1.8
195.11865	0.9
199.14908	3.7
201.16493	2.8
203.18097	1.5
205.15984	2.4
213.16441	2.4
215.18037	1.5
219.07793	1.0
221.19052	1.5
225.16457	1.0
229.19879	0.9
231.17499	1.0
231.21025	1.1
241.19527	7.1
243.21219	2.5
257.19086	2.6
259.20584	23.3
261.22192	7.5
263.23877	0.8
270.68024	0.8
275.20200	1.5
277.21622	17.1
277.24387	1.3
287.20154	1.1
289.21765	1.0
293.21323	2.7
295.22800	2.1
297.22119	1.0
299.24030	0.9
315.23236	1.2
317.24844	2.6
317.81177	0.8
331.22903	1.0
333.24249	17.8
335.25809	100.0
336.26355	2.7
337.27591	3.4
349.24011	1.1
351.25302	40.2
352.25778	1.0
385.23779	1.0
391.28720	1.2
405.13962	2.0
489.36136	1.7
498.31583	0.9
519.42273	1.9
529.39111	4.0
551.27716	1.0
552.29187	1.4
593.45679	3.9
611.46722	53.2
612.46973	3.0
629.47833	2.2
714.33722	1.9
970.57910	53.3
971.58093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	6.7
69.07071	20.6
69.97013	1.6
71.04988	3.3
71.49075	2.1
73.02920	2.7
75.04710	1.9
79.05497	55.7
81.03420	4.4
81.07060	74.6
83.04979	4.2
83.08616	11.0
85.02891	10.4
85.06540	4.3
91.03967	8.5
91.05483	43.3
93.07050	62.4
95.04960	6.6
95.08004	2.8
95.08611	54.9
97.02892	10.3
97.06564	8.3
97.10204	3.5
99.08108	2.8
105.04532	3.5
105.07040	34.3
107.08598	38.8
109.02843	1.9
109.06525	4.5
109.10162	25.3
111.08086	3.6
117.07018	9.4
119.08588	31.6
121.10148	24.1
123.08053	3.9
123.11715	6.3
125.09599	3.5
127.03935	4.7
129.06972	3.7
131.08554	14.9
133.10135	22.4
135.11696	18.6
137.09589	3.3
137.13254	2.3
143.08549	4.5
145.04976	3.0
145.10127	14.0
147.11703	17.8
149.09570	1.9
149.13286	9.9
151.11177	1.8
157.10144	5.3
159.11682	12.6
161.13260	11.8
163.06026	1.9
163.11333	2.7
163.14827	3.8
165.12756	2.3
167.10733	1.6
169.10146	1.8
171.11670	5.7
173.13257	7.0
175.14774	4.1
177.12701	2.9
179.14330	2.2
185.13258	5.0
187.14853	3.0
199.14818	4.1
201.16425	4.1
231.21057	2.0
241.19551	8.1
243.21107	2.6
254.45103	1.7
259.20599	18.4
261.22205	10.1
277.21655	20.8
317.24484	2.0
333.24280	12.5
335.25818	100.0
336.26181	3.1
337.26987	2.1
346.07925	2.0
351.25323	46.4
352.25772	2.1
463.29495	1.7
489.35278	3.0
536.54504	2.0
546.33136	2.0
564.05908	1.9
611.46722	64.4
629.47424	4.0
934.11127	2.0
970.58014	48.8
971.57062	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	975.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	0.3
70.42259	0.2
70.42583	0.5
71.20584	0.2
81.03379	0.4
85.02847	0.4
97.02898	1.1
100.12943	0.2
101.00883	1.7
107.04984	0.3
109.02831	0.5
112.38935	0.2
113.00822	0.6
115.02402	0.3
119.01920	1.8
127.02384	0.6
127.03848	0.3
131.01888	1.5
143.01903	2.4
145.03458	1.8
155.01872	2.4
157.03453	1.3
161.02968	1.8
167.01880	0.8
169.03386	0.5
171.05066	0.4
173.02972	2.9
175.04475	0.6
179.01848	0.8
179.70416	0.2
185.02977	3.8
185.04601	0.4
187.04474	0.7
197.02939	1.7
203.03966	1.6
209.02905	0.5
211.04541	0.2
215.03979	0.9
221.05026	2.0
227.03973	0.8
239.03995	0.3
245.05098	7.4
257.05029	1.0
259.06552	0.5
263.06143	0.6
269.05042	0.3
275.06067	0.6
281.05118	0.3
287.05731	1.1
293.07300	0.4
305.07257	0.5
309.02206	4.0
315.03644	0.2
327.03439	5.6
344.03589	0.2
345.04562	100.0
346.04813	3.3
347.04846	0.4
347.08545	0.5
355.02759	0.2
357.04474	0.4
359.06097	0.5
363.05621	16.6
364.05795	0.6
365.09323	0.3
368.06583	1.1
369.04565	11.5
370.04852	0.4
371.06192	0.8
373.03912	0.5
381.04556	9.6
382.04922	0.3
383.06058	1.9
387.05612	23.0
388.05960	0.7
393.04504	1.9
395.06195	1.9
397.07813	0.8
399.00397	0.4
399.05621	7.5
401.07129	1.3
405.04532	3.3
407.06314	0.5
410.07480	0.5
411.05603	6.4
412.05734	0.2
413.07169	2.2
423.05618	15.3
424.05875	0.4
425.07355	0.5
429.06619	1.6
431.66852	0.2
435.05493	1.3
441.06866	1.1
446.07272	0.3
453.06729	2.9
471.07742	23.4
472.07999	1.0
489.08881	0.7
510.41144	0.2
531.09888	3.4
532.11115	0.2
543.09772	1.7
549.10925	20.1
550.11194	0.8
561.10938	2.4
568.63055	0.2
572.12421	0.8
573.10687	1.0
579.12299	1.2
585.11005	0.8
591.11993	2.7
603.11993	0.3
615.12109	1.8
633.13031	44.6
634.13098	2.0
651.14032	13.2
652.13788	0.5
674.15472	0.3
693.15070	3.8
705.14978	0.7
723.16620	0.9
813.19348	11.5
814.19788	0.8
975.23889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03082	0.1
69.03433	1.0
69.07069	0.3
71.04979	0.1
71.08636	0.8
71.10220	0.1
73.02866	0.0
77.03917	0.5
78.04713	0.0
79.05492	1.6
81.03419	1.5
81.07053	0.7
83.08626	0.5
85.02902	1.0
85.06551	0.1
85.10188	0.7
87.04432	0.1
88.31425	0.0
91.05474	0.1
92.77814	0.0
93.07050	0.1
95.04967	1.4
95.08606	1.1
97.02892	2.2
97.10158	0.3
99.04458	0.3
105.04511	0.8
105.05217	0.0
107.04954	100.0
108.05283	0.7
109.02885	0.8
109.06499	0.1
109.10147	0.5
111.04433	0.1
111.11694	0.0
117.07162	0.0
119.04960	0.1
121.02867	0.1
121.06524	0.1
123.04424	0.2
123.11719	0.2
127.02966	0.1
127.03911	1.9
131.08572	0.1
133.06499	0.1
137.13293	0.1
139.03795	0.0
145.04965	1.6
145.06258	0.1
145.06595	0.1
147.04350	0.0
147.08133	0.1
149.05898	0.1
157.06438	0.1
159.08026	0.1
161.06006	0.2
169.06522	0.1
173.06033	0.1
185.06030	0.1
187.07558	0.3
197.06049	0.1
203.07050	0.3
213.09085	0.3
215.07037	0.7
233.08142	0.4
233.33138	0.0
237.22206	0.1
239.23694	1.8
240.23978	0.0
246.31694	0.0
250.65524	0.0
251.09230	0.2
257.24826	0.3
303.65027	0.0
329.26743	0.1
335.26031	0.1
345.28098	0.0
365.26941	0.2
381.26575	0.1
383.27945	1.8
399.27274	0.0
401.28983	5.1
402.29572	0.1
489.32050	0.3
507.33362	0.1
631.21320	0.0
982.48669	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	982.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.0
69.07061	0.3
69.89901	0.1
69.90201	0.5
71.04991	0.1
71.08629	1.1
77.03931	0.4
79.05499	1.8
81.03423	1.7
81.07065	0.9
81.39272	0.1
83.08623	0.6
85.02911	1.0
85.10188	0.6
91.05476	0.1
93.07047	0.2
95.04974	1.7
95.08616	1.2
97.02893	2.6
97.10175	0.2
99.04450	0.3
105.04514	0.9
105.67122	0.1
106.04227	0.1
107.04959	100.0
108.05273	0.7
109.02888	0.9
109.10141	0.6
123.04415	0.2
123.11713	0.2
127.03917	1.8
133.06538	0.1
145.04958	1.4
145.06081	0.1
145.06519	0.1
161.06004	0.2
185.06068	0.1
187.07622	0.4
203.07056	0.2
213.09116	0.3
215.06999	0.6
233.08148	0.3
239.23697	1.9
251.09088	0.2
257.24835	0.2
292.05731	0.1
338.49606	0.1
341.46130	0.1
365.26831	0.2
383.28015	1.7
401.28998	5.2
402.29410	0.1
441.69067	0.1
467.47217	0.1
623.42438	0.1
663.38354	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	982.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84592	0.2
69.03431	1.1
69.07066	0.9
70.06587	0.2
71.04972	0.2
71.49128	0.3
77.03927	0.6
79.05491	4.3
81.03423	2.4
81.07052	3.3
83.04981	0.4
83.08601	0.5
85.02892	0.9
85.06540	3.3
91.05465	2.3
93.07036	2.5
95.04962	2.5
95.08607	2.5
97.02872	0.9
97.06501	0.3
97.10150	0.2
99.04474	0.3
99.22562	0.2
105.04502	1.2
105.07021	2.2
107.04954	100.0
107.08583	1.9
108.05257	0.8
109.02884	0.6
109.06528	0.6
109.10159	1.4
111.04427	0.5
111.08056	0.2
117.07025	1.5
119.08580	1.7
121.06504	0.3
121.10108	1.5
123.04446	0.3
123.08041	0.3
123.11713	0.5
127.03931	0.7
127.07529	0.2
128.06204	0.2
129.05481	0.3
129.06993	0.5
129.64601	0.2
131.08586	1.7
133.06499	0.8
133.10107	1.1
135.08075	0.3
135.11690	0.9
141.06946	0.4
143.08502	0.8
145.04872	0.2
145.06490	0.8
145.08603	2.1
145.10115	1.2
147.08069	0.5
147.11636	1.1
149.09706	0.2
149.13280	0.8
151.07594	0.2
155.08563	0.3
157.06482	0.8
157.10152	0.8
158.07272	0.2
159.08089	0.3
159.11702	1.4
161.09674	0.5
161.13310	0.6
163.14844	0.2
169.10120	0.3
171.08095	0.5
171.11739	0.7
173.09599	0.9
173.13263	0.7
175.11269	0.3
177.12790	0.3
179.08673	0.2
181.10110	0.4
183.08049	0.3
183.11693	0.2
185.09601	0.3
185.13290	0.5
187.11131	0.4
187.14799	0.4
191.09193	0.4
193.08665	0.2
195.13759	0.2
197.09601	0.2
197.13159	0.2
199.11218	0.3
199.14847	0.4
201.12749	0.3
213.16484	0.2
215.14478	0.3
225.12733	0.2
225.16301	0.2
237.12871	0.2
243.21185	0.4
257.13788	2.4
259.20605	0.6
261.22165	1.0
277.21698	0.7
279.23410	0.3
285.22101	0.3
289.21609	0.3
291.23267	0.4
295.15521	0.2
301.21552	0.4
303.23184	1.0
313.21793	0.3
315.23376	0.5
319.22809	0.2
323.23911	0.2
327.23206	0.4
327.26694	0.3
340.10416	0.2
341.24838	0.5
345.24219	0.4
345.28021	0.3
351.23157	1.3
367.26257	0.5
369.24231	2.9
387.25305	3.9
391.26682	0.3
405.26385	3.9
406.26700	0.2
423.27206	1.4
433.27548	0.4
475.28693	0.7
489.32141	0.7
493.29214	0.3
511.30966	0.3
607.27771	0.2
982.62689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	22.1
69.07073	5.9
71.01347	2.7
71.05003	4.1
71.48107	1.4
73.02920	20.7
79.05500	16.0
81.03424	19.8
81.06592	1.5
81.07060	24.1
83.04974	2.8
83.08617	2.6
85.02906	100.0
85.06551	1.2
87.04458	1.7
91.03956	61.1
91.05476	13.1
93.07043	19.1
95.04969	4.1
95.08611	18.9
97.02896	71.7
97.06523	1.4
97.10155	1.2
99.04461	11.1
99.08115	0.9
101.02374	3.4
103.03957	8.5
103.05392	0.8
105.07044	9.7
107.04944	2.1
107.08595	10.9
108.48431	0.9
108.74337	0.8
109.02878	10.9
109.06496	2.3
109.10152	11.8
111.04447	3.4
115.03931	7.0
117.05502	2.6
117.07020	4.1
119.07896	1.1
119.08602	8.8
121.02892	0.9
121.06491	1.1
121.10139	10.4
123.08041	1.7
123.11687	4.4
127.03918	39.8
129.05498	5.3
129.06998	3.2
131.08574	8.0
133.06554	1.3
133.10126	7.6
135.11702	7.8
137.05992	1.9
137.13280	1.4
139.03909	1.0
143.08565	2.5
145.04964	42.7
145.10147	6.9
147.11641	6.5
149.13280	4.5
155.08562	1.6
157.10075	3.0
159.06505	2.2
159.11691	5.8
161.09634	1.3
161.13280	4.5
163.06017	46.3
163.11285	1.3
163.14801	3.0
169.10146	1.1
171.06557	2.0
171.08051	0.9
171.11671	2.7
172.69687	0.9
173.04468	1.4
173.09605	1.1
173.13260	6.0
175.11226	1.4
175.14830	2.7
177.16359	1.8
183.06537	9.6
183.11693	1.5
183.40593	0.9
185.13191	1.5
187.11171	1.0
187.14789	2.3
199.14790	1.4
201.07584	6.2
219.08563	1.8
221.13037	0.9
225.12744	1.0
229.07089	1.3
241.07007	1.2
241.19345	1.0
243.21121	5.7
259.20572	2.3
261.22150	16.3
271.07971	1.7
273.22153	1.2
277.21643	1.7
279.23239	1.4
285.22305	1.4
289.21802	1.6
297.22302	1.4
303.23245	3.2
308.11090	1.0
309.21948	1.1
315.23083	2.7
317.24652	1.0
323.23724	1.2
324.93542	1.0
325.11319	1.2
327.23062	2.5
333.24390	1.3
335.25827	46.1
336.26187	1.0
339.23264	1.4
341.24637	2.5
345.24228	2.4
351.23303	2.8
353.26910	2.3
357.24332	1.5
363.25244	2.8
369.24213	7.7
377.26831	5.9
387.25159	2.8
389.26602	1.8
393.26782	0.9
405.26364	3.8
419.27847	2.4
425.26480	1.2
431.27954	2.1
443.27917	8.4
461.29004	8.1
479.30042	15.4
497.31125	6.7
951.92554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.0
69.07060	0.4
71.05011	0.2
71.08640	1.3
71.49036	0.2
74.96065	0.1
77.03915	0.4
79.05494	1.9
81.03422	2.0
81.07057	1.0
83.08616	0.4
85.02905	1.3
85.10193	0.8
91.05480	0.3
93.07025	0.3
95.04967	1.5
95.08605	1.3
97.02895	2.4
97.10165	0.5
99.04445	0.2
105.04517	0.9
105.06983	0.1
107.04954	100.0
108.05279	1.0
109.02877	1.0
109.10169	0.5
115.03941	0.1
121.02859	0.2
123.04364	0.2
123.11707	0.4
127.03906	2.0
131.08583	0.2
137.13277	0.2
145.04993	1.3
145.06601	0.1
160.26225	0.1
161.05919	0.2
187.07573	0.1
192.21895	0.1
197.06087	0.2
203.06993	0.2
213.09177	0.4
215.07050	0.7
219.09915	0.1
233.08093	0.3
251.09213	0.3
253.25269	1.7
271.26270	0.4
275.19766	0.1
289.75220	0.1
313.27481	0.6
315.17288	0.1
349.70966	0.1
379.28781	0.2
395.28244	0.2
397.29446	2.1
415.30569	5.0
456.95966	0.2
462.11838	0.2
503.33609	0.4
507.40564	0.4
584.87872	0.2
587.46674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56205	100.0
93.75943	35.0
100.02396	36.9
114.85725	32.7
138.93555	35.3
169.40466	31.6
192.59123	33.8
269.41647	35.1
453.35562	37.2
716.82385	44.7
870.98706	47.7
898.40533	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00486	1.8
71.01381	4.6
73.02950	1.1
75.14576	0.4
77.03983	0.6
81.07104	0.4
82.29577	0.4
83.01437	0.4
83.05019	1.1
85.02931	1.9
89.02440	0.8
93.03465	0.9
95.01316	0.4
95.05016	5.5
99.00887	0.5
99.08154	42.2
100.08459	0.8
101.02432	2.6
101.06129	0.5
105.03468	1.5
109.06580	0.9
113.02439	3.2
121.02974	0.6
123.04521	100.0
124.04859	1.6
127.07648	74.1
128.07980	1.6
129.05577	61.1
130.05887	0.9
138.03238	1.6
139.82971	0.4
143.03482	1.1
143.07239	0.4
149.02452	1.4
153.05569	42.3
154.05882	1.1
159.03017	1.1
161.04547	16.0
162.04938	0.4
164.61882	0.4
171.06622	17.5
176.83043	0.4
189.07692	3.6
195.13840	2.3
223.13335	1.6
253.91655	0.4
256.13153	0.4
275.20068	1.5
285.09787	19.6
286.10065	1.1
291.19748	0.8
293.21213	39.9
294.21530	2.7
317.21262	0.8
329.21216	0.5
335.22272	1.5
359.22226	1.1
377.23535	0.5
389.23001	0.6
419.24228	0.7
437.25427	8.9
438.25906	0.7
439.16153	5.3
457.17117	46.0
458.17462	3.2
507.31366	0.4
507.82468	0.4
561.30505	1.5
679.53656	0.4
715.36920	0.8
733.37988	66.8
734.38354	9.8
862.01166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50942	2.2
73.20209	1.1
78.85902	1.0
78.95911	6.9
116.92874	1.6
122.46977	1.1
126.74390	1.1
133.02989	2.3
134.03735	1.1
139.36220	1.1
152.99582	12.0
177.14996	1.3
211.13322	3.6
227.03467	1.6
255.23268	100.0
256.23566	4.4
277.21661	4.1
341.23373	5.6
342.23682	4.0
343.24051	1.7
483.27261	63.8
484.27731	4.3
681.75781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15186	0.5
71.01378	0.3
78.95884	0.3
80.44318	0.1
82.06067	0.2
84.54404	0.2
127.07615	0.2
133.87994	0.2
147.04468	0.2
180.05757	0.5
195.04501	2.9
196.05287	1.5
211.03978	0.4
223.03966	3.3
224.04759	10.6
225.03247	0.2
225.05542	4.2
226.05922	0.2
237.05603	1.4
238.06323	3.9
239.07031	1.1
241.62675	0.2
263.03381	0.3
264.04251	0.6
291.19693	0.2
362.09549	0.2
363.10272	0.8
364.11044	0.3
375.09958	0.2
375.76151	0.2
377.07672	0.3
377.11777	0.5
379.09683	4.1
380.10263	0.2
381.11523	0.2
391.09631	0.3
393.11237	2.4
394.12051	2.1
403.09775	1.0
404.10464	0.3
405.07553	0.3
406.08475	1.7
407.09048	0.2
419.09073	0.3
420.09753	0.4
421.10748	6.5
422.11206	0.5
430.08319	1.1
431.08881	2.4
432.09940	4.1
433.10580	0.3
436.13132	3.1
437.13202	0.2
445.10861	0.9
446.11563	0.8
447.12457	2.9
448.09341	5.6
449.10260	3.3
463.11804	8.8
464.12549	12.3
465.13025	1.1
479.14932	100.0
480.15268	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	1007.522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78064	2.9
69.78471	6.4
69.91698	1.7
71.01376	14.2
80.41222	1.4
85.02922	2.4
87.00865	2.8
89.02433	2.9
96.95992	1.9
99.08105	1.5
99.32207	1.5
101.02413	5.1
113.02460	3.4
116.92867	1.8
122.03760	8.2
132.93448	1.4
135.04526	2.6
146.03775	8.4
147.04483	8.0
151.93597	1.5
159.04509	8.5
160.05278	3.0
161.06052	3.3
162.03197	6.8
162.06865	6.6
172.05313	3.1
173.06015	2.3
175.03931	2.1
182.11302	1.4
184.05339	1.5
187.03996	14.2
188.04764	10.9
188.08380	2.2
211.93999	1.4
231.13821	3.5
259.13364	91.2
260.13733	4.2
269.11722	7.7
277.14453	30.3
277.21716	8.0
283.13336	2.1
285.15033	4.2
287.12936	7.4
295.13400	10.0
301.14355	1.7
313.14429	34.8
314.14783	3.6
331.15494	26.4
349.16522	5.0
410.82886	1.5
430.40250	1.7
531.91290	1.7
590.28430	1.7
686.69897	1.6
729.29504	10.3
747.30737	16.6
847.22968	1.8
935.50348	6.7
989.51239	30.6
990.51154	5.3
1007.52155	100.0
1008.52344	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	101.0245
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
53.99058	1.4
55.01883	35.8
57.03452	29.6
58.00597	9.2
59.01384	70.5
60.01726	2.5
69.16842	15.0
71.01386	36.6
72.02185	2.0
72.99304	6.9
73.02952	100.0
74.03280	3.6
83.01380	6.3
85.24583	1.3
99.92592	3.9
100.94620	22.9
101.02444	43.6
102.05604	4.6
105.85529	1.6
106.97574	1.4
109.36626	1.4
115.92081	5.0
118.72527	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	1013.349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.4
72.99314	0.2
73.02957	0.3
79.05540	0.4
81.07092	2.4
83.05002	1.4
85.02944	0.7
89.02454	1.6
93.03464	0.8
94.04242	0.7
95.05020	1.0
101.02424	1.4
109.06583	6.1
113.02442	0.9
115.00380	0.4
117.47692	0.3
119.03497	0.6
121.02962	0.5
123.04518	19.9
124.04831	0.3
125.06087	0.5
127.07647	14.7
128.08017	0.3
131.65344	0.2
133.39880	0.3
138.03220	8.3
139.03520	0.3
149.02434	0.4
153.05565	100.0
154.05901	2.8
161.04575	0.7
171.06625	11.7
179.05600	1.5
203.39996	0.2
233.11861	0.3
393.11862	0.7
439.16055	61.8
440.16397	4.5
619.22382	35.4
620.22656	3.4
709.98431	0.3
948.94891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19892	100.0
123.04510	40.3
127.07626	36.0
153.05591	40.3
169.77934	26.3
202.25798	25.9
351.45731	29.4
406.27460	30.9
457.17154	58.3
710.41376	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	5.3
72.99312	0.3
73.02927	0.4
77.03977	0.2
79.05518	0.2
81.07092	2.7
83.01372	0.4
83.05020	1.5
84.02161	0.2
85.02945	2.6
87.00910	0.2
89.02435	3.3
93.03458	0.7
93.63468	0.2
94.04264	0.8
95.01404	1.4
95.05026	0.8
96.79443	0.1
99.00871	0.2
101.02435	2.7
103.05533	0.7
105.03462	0.2
109.06588	6.5
113.02441	5.6
114.02804	0.2
115.05511	1.3
117.03478	0.4
119.03498	3.1
119.05010	0.6
121.02999	0.5
123.04520	16.2
124.04855	0.4
125.06078	0.4
127.07647	36.7
128.07991	0.4
131.03517	0.3
131.05020	3.0
133.06598	2.2
138.03224	8.1
143.03458	0.6
143.05029	0.4
145.06572	0.5
147.04512	23.7
148.04842	0.7
149.02472	0.3
153.05568	100.0
154.05913	2.4
159.04526	0.2
161.04564	4.8
161.06073	14.0
162.06415	0.5
171.06618	26.2
172.06937	0.7
173.06172	0.4
175.07599	0.5
179.05594	2.9
187.11304	0.3
189.05566	5.8
189.07375	0.3
191.07088	0.2
201.05544	0.4
219.06644	1.2
237.07800	0.7
243.06726	0.2
249.07713	0.7
285.09735	0.4
291.08707	0.3
309.09824	2.6
326.50330	0.2
333.11896	0.6
421.15137	2.4
433.15079	0.3
439.16055	77.1
440.16388	5.7
463.16019	0.3
481.17126	1.0
569.20245	9.8
570.20428	1.0
601.21375	0.6
619.22150	1.5
749.26526	19.4
750.26935	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	1017.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	5.3
72.99310	0.5
73.02948	0.4
77.03952	0.3
81.07098	2.7
83.05018	1.4
85.02947	2.2
87.00869	0.3
89.02445	3.5
93.03452	0.5
93.59177	0.2
94.04240	0.7
95.01389	1.0
95.05038	0.7
98.20657	0.9
99.00911	0.2
101.02451	2.8
103.05560	0.5
105.03447	0.3
109.05905	0.5
109.06601	6.2
113.01717	0.4
113.02456	5.8
115.05537	1.3
117.03477	0.5
119.03519	3.0
119.05013	0.5
121.03043	0.3
123.03204	0.3
123.04529	15.4
127.07658	34.5
128.07993	0.9
131.05032	3.3
133.06584	2.1
138.03230	8.0
139.03650	0.3
143.03502	0.7
145.06586	0.8
147.04523	22.4
148.04848	0.6
149.02434	0.3
153.05579	100.0
154.05930	3.0
161.04590	4.1
161.06082	18.7
162.06413	0.7
163.07620	0.3
171.06628	24.3
172.06943	0.6
173.06125	0.4
179.05580	3.8
189.05571	7.6
191.07167	0.3
219.06612	0.9
230.02646	0.3
237.07672	0.9
249.07761	1.5
268.41000	0.2
285.09772	0.6
309.09827	3.1
333.11957	0.5
342.31586	0.3
421.15070	2.4
422.15494	0.3
427.80341	0.2
439.16089	78.6
440.16394	6.9
481.17157	1.0
569.20245	14.6
570.20801	1.8
601.21661	0.5
619.22498	1.7
749.26648	22.5
750.26678	3.6
843.03931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	3.1
72.99303	0.3
73.02944	0.4
75.97610	0.2
79.14933	0.2
81.07095	2.8
83.05019	1.9
85.02944	1.4
87.00886	0.3
89.02445	1.8
93.03473	0.8
94.04262	0.7
95.01378	0.9
95.05032	0.7
99.26354	0.2
101.02435	2.8
103.05534	1.0
109.06589	6.2
113.02451	4.5
115.05528	1.8
119.03499	2.5
119.05013	0.4
121.02950	0.7
123.04523	17.1
124.04829	0.3
125.06067	0.5
127.07649	34.9
128.08011	0.8
131.03537	0.3
131.05032	4.3
133.06595	2.4
135.68304	0.2
138.03221	7.8
139.03526	0.3
143.03522	0.6
143.05031	0.7
145.06570	0.7
147.04518	27.5
148.04842	0.7
149.02428	0.3
153.05571	100.0
154.05901	2.3
161.04576	4.7
161.06079	18.1
162.06361	0.5
171.06622	24.2
172.06973	0.7
173.06007	0.4
175.07666	0.5
179.05611	1.5
189.05569	6.3
201.05551	0.6
219.06659	1.0
230.03732	0.3
233.11723	0.2
237.07780	0.7
249.07692	0.9
285.09802	0.7
291.08710	0.5
309.09802	3.1
333.12061	0.5
421.14935	1.2
433.14963	0.4
439.16058	91.7
440.16351	5.6
463.16364	0.3
481.17130	1.2
553.97559	0.3
569.11761	0.4
569.20367	5.9
569.29175	0.4
570.20526	0.3
601.21106	0.3
619.22400	0.6
622.98047	0.2
722.67535	0.2
749.26556	27.5
750.27063	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	1017.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.4
71.26611	0.4
71.26960	0.4
79.05540	0.5
81.07107	2.8
83.01387	0.5
83.05014	1.1
85.02945	1.7
89.02441	4.3
93.03460	0.7
94.04261	1.0
95.01389	1.2
95.05009	0.7
101.02431	3.0
101.82200	0.4
103.05544	0.7
103.28223	0.4
109.06596	6.2
113.02446	4.8
115.05535	1.1
117.03490	0.6
119.03501	3.8
121.02985	0.4
123.04527	16.6
126.00839	0.4
127.07648	35.7
128.07999	0.8
131.05009	2.4
133.06586	2.0
138.03224	8.1
143.03481	0.8
143.05045	0.7
145.06577	0.6
147.03198	0.5
147.04514	21.2
153.05569	100.0
154.05933	2.9
161.04573	4.4
161.06076	16.4
162.06383	0.6
168.02095	0.4
171.06622	24.1
172.07002	0.5
179.05566	4.0
189.05553	7.9
191.07230	0.4
201.05417	0.5
204.36667	0.4
219.06607	0.8
233.09743	0.8
237.07613	1.1
249.07710	1.4
285.09741	0.6
295.09644	1.6
309.09937	2.5
320.21262	0.4
333.67230	0.5
421.14874	2.6
439.16058	84.6
440.16403	5.7
463.15747	0.4
481.16916	1.5
569.20258	15.3
570.20575	1.3
619.22284	2.0
749.26569	25.4
750.26569	3.7
768.27667	0.4
856.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.2
72.99290	0.2
73.02906	0.5
79.63716	0.2
81.07081	3.0
83.01390	0.3
83.05018	1.3
85.02936	2.5
89.02438	3.2
93.03471	0.8
94.04253	0.5
95.01385	1.1
95.05019	0.5
98.20750	0.6
101.02445	2.9
103.05536	1.0
109.06584	6.4
113.02453	5.8
113.03249	0.3
115.05512	1.2
117.03433	0.3
119.03502	2.4
119.05018	0.5
121.02947	0.4
123.04523	15.7
124.04853	0.4
125.06072	0.4
127.07647	37.0
128.07985	0.8
131.03502	0.4
131.05019	3.8
133.06573	2.0
138.03230	8.5
138.29454	0.3
143.03519	0.5
145.06593	0.3
147.04514	21.9
148.04865	0.5
153.05565	100.0
154.05876	2.1
161.04561	4.2
161.06076	13.0
162.06454	0.2
163.87555	0.2
171.06615	24.6
172.06952	0.5
175.07565	0.3
179.05589	2.3
187.11147	0.3
189.05547	5.4
201.05534	0.6
219.06586	1.1
237.07706	0.5
249.07648	0.8
285.09726	0.6
291.08627	0.3
309.09766	2.2
333.11923	0.6
421.14996	2.8
433.15024	0.4
439.16046	71.9
440.16449	4.1
463.16193	0.3
481.17264	0.7
569.20215	9.4
570.20575	0.5
601.21289	0.6
619.22278	1.2
663.88702	0.3
749.26556	22.3
750.26990	2.1
900.33118	0.3
929.24487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	4.1
71.42450	0.8
73.02953	1.1
83.05044	0.5
85.02984	2.0
89.02451	0.6
93.03452	0.8
95.05026	3.0
99.08157	45.3
100.08523	1.0
101.02429	2.8
105.03443	1.2
107.17751	0.4
109.06597	1.4
113.02438	2.2
117.23095	0.4
121.02939	0.8
123.04523	100.0
124.04861	3.0
127.07652	64.3
128.07968	0.7
129.04611	1.1
129.05580	20.8
129.55441	0.5
138.03215	1.8
149.02461	1.1
153.05571	64.5
154.05891	2.0
159.02975	0.7
161.04539	5.8
171.05205	0.8
171.06622	13.1
189.07701	2.5
233.09657	0.5
285.09787	24.8
286.10162	1.3
295.09830	0.7
349.98264	0.5
401.74609	0.5
439.16049	1.7
440.16443	0.9
457.17133	74.7
458.17477	6.3
649.38428	0.6
667.39246	1.8
709.40283	1.2
869.04407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.6
84.74169	0.7
85.02953	0.9
95.05029	3.3
98.20695	1.3
99.08153	20.3
101.02423	2.1
105.03404	0.8
109.06551	1.0
113.02435	1.0
123.04518	90.4
123.32372	0.6
124.04832	1.8
127.07647	43.4
128.08049	0.7
129.05574	31.6
138.03189	1.3
142.99802	0.8
149.02380	0.8
153.05563	67.2
154.05890	1.3
160.39847	0.6
161.04538	1.6
171.06613	13.3
174.01796	0.8
189.07712	2.9
211.13376	2.5
255.23264	2.6
277.21725	6.4
278.22113	1.1
285.09726	4.8
397.13763	1.3
439.16028	6.8
457.17105	100.0
458.17331	6.5
458.69055	0.7
545.31091	8.0
699.37927	0.9
717.38513	73.4
718.38788	9.4
903.48621	0.8
1021.45288	8.1
1022.45959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
78.62846	13.4
80.14703	12.3
83.04501	13.4
95.55353	14.7
98.19854	33.0
99.08173	44.7
116.92828	17.2
123.04537	82.1
124.04848	24.7
127.07631	63.4
128.42735	15.8
129.05586	62.0
153.05571	74.7
229.47487	13.9
256.89163	14.5
256.99796	13.4
285.09531	13.8
368.47369	15.3
448.98212	15.1
457.16962	60.1
458.17212	14.7
459.18121	26.7
695.40063	100.0
696.40259	35.1
698.40845	24.2
1048.19299	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	1026.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	6.0
84.85002	5.8
89.02412	6.1
99.08150	19.4
101.02455	7.9
108.85466	5.2
116.92838	13.9
121.92554	5.0
123.04534	90.8
124.04868	15.3
127.07664	43.0
128.08009	8.3
129.05585	50.7
143.30872	4.9
153.05573	69.2
154.05954	7.9
162.35416	4.9
171.06595	12.2
182.79759	5.0
186.28766	5.5
204.72658	5.1
226.25272	5.3
229.68925	6.2
277.21762	8.4
278.21826	6.6
281.24875	6.3
285.09790	8.3
289.18027	11.5
307.19104	8.7
397.13266	7.5
457.17154	59.6
458.17477	31.9
459.17337	6.8
695.40265	8.7
721.41595	60.3
722.41986	100.0
731.42029	5.7
1026.48694	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	1027.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	48.1
72.99311	10.8
79.56174	0.6
85.02937	1.0
85.52831	0.8
95.05022	1.0
96.99328	1.9
98.19840	1.5
101.02437	1.0
105.18224	0.6
106.25124	0.6
112.15975	0.7
113.02434	2.1
115.00368	63.6
121.02976	1.0
123.04521	71.2
124.04857	2.2
132.02167	1.8
133.01416	16.9
133.02945	21.7
133.83427	0.6
134.03743	3.1
135.04517	68.0
136.04822	2.1
149.02287	0.6
150.41255	0.7
151.00407	0.7
161.02437	36.5
161.04448	5.0
162.02783	1.5
162.59370	0.7
173.24834	0.8
179.03487	52.3
180.03751	0.9
185.41986	0.6
194.46780	0.6
229.85962	1.0
255.03021	2.1
271.02466	4.8
285.09662	4.6
290.64734	0.8
295.04614	3.2
300.02734	5.6
301.03564	2.2
383.09805	36.4
384.10156	1.5
401.10843	100.0
402.11298	6.2
463.08643	1.7
563.14026	73.3
564.14355	6.4
586.02454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02948	1.4
80.48219	0.2
81.07088	0.2
83.01389	0.4
83.05038	0.7
85.02940	2.3
85.06563	0.2
89.02436	0.3
90.06603	0.2
95.01397	0.3
98.19855	0.4
99.00877	0.8
99.08154	23.2
100.08498	0.5
101.02435	3.0
101.06075	1.7
109.06577	0.7
113.02447	2.5
127.07648	32.2
128.07985	0.7
129.05574	48.9
130.05896	0.8
138.03227	0.8
139.16698	0.2
143.03482	0.2
153.05569	20.8
154.05916	0.5
159.02965	0.6
161.03258	0.4
161.04552	4.5
171.06619	5.1
171.24947	0.2
189.07692	0.5
263.11319	6.4
264.11633	0.2
267.77753	0.2
268.08282	0.2
417.17560	2.2
435.18658	100.0
436.19012	7.0
667.61841	0.2
968.98193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	1.3
73.02969	1.4
79.01487	0.7
79.01885	4.7
81.03451	17.3
81.07080	2.0
83.01382	26.8
83.05022	2.0
85.02928	7.0
87.00863	1.4
89.02439	6.2
89.39323	0.8
93.03448	2.9
95.01378	10.0
95.05040	1.1
97.02941	12.0
99.00848	1.1
99.04516	1.4
99.08150	5.9
101.02434	8.4
101.03979	0.9
107.01372	0.8
109.06586	6.7
111.00900	1.7
111.04507	2.1
113.02443	22.3
115.05508	1.0
117.03468	2.0
119.03500	5.5
119.05018	8.1
121.02956	2.3
123.00883	10.8
123.04520	16.8
124.01652	4.0
124.04754	0.7
125.02440	52.4
126.02789	1.0
127.00365	31.3
127.07649	53.2
129.05577	16.4
131.05020	3.4
133.06555	3.6
137.02431	2.1
138.03207	8.0
139.00374	2.4
139.04025	2.8
141.01942	2.9
141.12962	0.7
145.02939	3.3
145.06635	0.9
145.08705	1.4
147.04510	31.0
149.02454	1.1
151.00363	45.9
152.00706	1.0
153.05565	100.0
154.05905	2.7
155.03525	0.8
157.01396	3.8
161.04555	9.2
161.06073	11.6
161.13380	1.7
163.04002	9.5
167.14380	1.6
169.01418	12.5
171.06616	38.9
173.06001	0.9
179.05615	2.0
181.01524	1.0
187.04059	0.8
187.11337	1.0
189.05585	9.5
189.07674	28.9
189.09358	1.6
201.17033	0.8
205.12286	4.8
211.02466	1.4
211.13272	1.3
219.06630	1.4
221.06677	1.4
223.13326	1.3
229.03441	1.4
237.07719	1.4
249.07671	1.7
249.11259	2.9
270.44800	0.8
272.18655	1.5
301.09271	1.8
309.09811	4.0
325.09369	1.1
333.11935	0.9
369.57541	0.8
417.17657	3.1
418.17853	1.0
421.15402	1.1
431.13364	1.5
434.24109	2.7
435.24219	2.1
439.16046	75.0
440.16281	4.5
455.15518	12.8
456.15585	1.3
457.17044	1.7
481.17398	4.1
517.20728	25.3
517.28510	1.3
518.20502	1.7
535.21777	2.5
585.19250	0.9
601.21729	1.4
619.22272	3.6
643.23932	6.7
723.24878	3.7
749.26508	29.7
750.27148	2.5
764.40771	11.8
765.26251	12.6
765.41144	13.7
766.27032	1.7
913.31567	12.9
914.31982	2.7
955.32111	13.3
956.32935	2.0
1033.36450	2.8
1034.37610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50779	0.7
73.02937	0.7
89.02424	0.4
93.03452	0.6
95.05016	1.1
99.08155	11.6
101.02437	1.4
105.03394	0.4
109.06603	0.8
113.02440	1.6
117.03460	21.6
118.03782	0.3
119.05017	18.7
121.02968	0.9
123.04518	40.7
124.04852	0.8
127.07642	23.6
129.05576	23.5
134.03714	0.5
138.03203	1.0
138.16078	0.3
145.02942	100.0
146.03288	2.8
146.06062	0.5
149.02438	0.4
153.05563	20.0
154.05850	0.4
157.06544	0.4
159.04485	0.5
161.04549	1.9
161.06061	1.0
163.03996	18.5
164.04294	0.5
171.06592	4.7
187.03941	1.1
189.07607	1.6
193.04958	0.6
205.05054	0.9
217.08481	0.3
247.06119	0.8
285.09747	3.8
307.08197	26.6
308.08588	1.3
325.09424	0.5
431.13409	33.7
432.13663	2.3
439.15714	2.5
457.17123	25.9
458.17343	1.7
460.53085	0.3
473.14505	15.4
474.14902	0.9
518.28101	0.3
585.19592	1.2
603.20764	41.2
604.20923	3.1
765.26007	29.2
766.26117	3.9
871.30188	20.2
871.47076	0.8
872.30652	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	1033.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	0.9
81.07082	0.8
89.02456	3.0
93.03481	1.4
93.88964	0.5
95.05033	1.1
99.00864	1.2
99.08159	17.2
101.02414	3.3
105.03474	0.7
109.06556	1.6
110.34653	0.6
113.02457	2.4
117.03468	21.5
118.03817	0.7
119.03625	1.1
119.05023	26.4
119.63211	0.6
120.05351	0.6
121.02945	1.3
123.04522	48.5
124.04885	1.7
124.24189	0.5
127.07650	36.9
128.07980	0.9
129.05579	47.1
130.05894	1.1
133.06621	0.8
138.03253	2.4
145.02951	100.0
146.03276	2.4
147.04562	0.6
149.02412	0.7
153.05571	40.9
154.05928	1.2
159.04489	0.7
161.04578	2.0
161.06100	1.5
163.04005	23.6
171.06641	11.6
175.04065	0.7
179.05582	2.6
187.03993	2.1
189.07663	1.7
205.05034	4.0
235.06146	0.9
247.06075	0.7
265.07202	4.9
285.09845	4.0
307.08215	27.5
308.08591	0.9
325.09320	2.1
399.65225	0.6
413.11942	1.0
431.13428	72.5
432.13803	4.8
439.16055	22.8
440.16498	2.0
448.16257	0.6
457.17136	51.3
458.17358	3.3
466.58768	0.6
469.13525	0.9
473.14328	1.2
543.18707	12.2
544.19159	1.4
582.91907	0.6
585.96936	0.7
593.18958	2.3
603.20789	29.9
603.77197	0.7
604.20996	2.9
619.22461	13.9
620.22559	1.4
765.25995	18.6
765.39764	1.1
766.26477	2.6
871.30280	27.0
872.31128	3.8
1033.36584	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	1035.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
72.26342	0.4
73.02949	3.5
73.60949	0.5
80.84467	0.5
83.01392	1.7
83.05034	0.9
85.02939	3.2
88.98812	0.5
89.02448	0.8
93.03457	5.0
95.05035	2.9
99.00887	0.9
99.08154	37.6
100.08523	0.9
101.02438	4.4
107.05026	0.5
109.06570	1.6
113.02448	3.6
119.05024	3.3
120.05378	0.5
121.02972	0.9
121.06586	5.5
123.04517	75.0
124.04839	2.1
125.02380	0.9
127.07648	59.7
128.07996	1.2
129.05574	88.8
130.05899	2.3
133.03049	0.5
133.06616	0.7
134.03751	0.7
138.03195	1.9
145.02963	1.0
147.04509	2.5
149.02454	0.8
153.05568	41.7
154.05907	1.8
161.04541	3.8
161.06055	5.3
162.06346	0.7
163.04004	3.2
164.04372	0.8
165.05557	99.1
166.05879	3.3
171.06624	10.9
173.06082	2.2
177.05544	1.9
178.06247	0.8
179.05588	0.6
179.07104	2.0
189.05612	1.4
189.07664	4.2
191.07024	0.9
193.04958	0.8
205.05026	0.9
207.06606	14.3
219.06627	1.2
221.08188	25.7
231.06575	2.2
249.07661	15.2
250.07973	0.6
261.07809	0.5
278.76135	0.6
285.09781	7.0
309.09778	29.3
310.10095	1.1
325.09271	0.7
327.10812	8.4
369.11826	1.1
401.08899	0.5
415.13861	0.6
433.14996	66.0
434.15152	3.7
439.16046	11.5
440.16211	1.6
441.16412	0.8
450.92813	0.5
457.17108	100.0
458.17371	6.4
471.08652	0.9
471.15051	14.0
472.15253	1.1
475.16321	2.6
481.17163	0.9
545.19891	1.2
587.21515	0.7
595.20337	15.7
596.20288	1.2
605.22333	26.0
606.22534	1.8
629.66144	0.6
707.25952	0.7
749.26770	1.3
767.27582	73.3
768.28027	8.8
873.31311	1.3
1035.37305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	12.1
85.02940	1.2
87.00864	0.9
95.05000	1.6
96.99307	1.4
101.02450	2.6
105.03401	1.4
106.06607	4.6
107.05009	0.8
113.02429	1.5
115.00369	61.8
116.00703	1.2
119.05012	1.2
123.04521	76.2
124.04839	2.4
132.02130	1.3
133.01439	21.1
133.02954	21.0
134.03700	3.7
135.04523	63.6
136.04845	1.7
150.05611	2.5
161.02440	39.8
161.04430	5.4
163.03935	0.8
179.03487	51.4
277.05872	1.2
285.09811	3.8
295.04495	3.4
356.09818	5.1
360.86600	0.9
383.09799	28.3
384.09787	1.4
401.10861	96.1
402.11282	5.2
563.14026	100.0
564.14349	7.6
652.06006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
79.26298	0.1
83.05023	0.3
85.02960	0.3
85.06617	0.1
99.08155	13.3
100.08489	0.2
101.06100	0.4
109.02959	0.1
123.04511	0.1
127.07652	15.5
128.08014	0.4
129.05577	55.8
130.05923	1.1
137.02446	1.7
138.01843	0.1
138.02762	0.5
143.07120	0.3
145.08705	2.1
153.05592	0.1
171.05469	0.1
171.06607	3.1
189.07675	100.0
190.08005	2.6
229.54405	0.1
457.17075	0.2
493.35886	0.1
602.10364	0.1
749.49640	0.1
850.63440	0.1
1064.37769	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	1037.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84805	0.0
83.05031	0.3
85.02960	0.3
85.06577	0.1
93.03468	0.1
99.08150	14.3
100.08479	0.3
101.06078	0.4
123.04482	0.1
127.07645	16.9
128.07999	0.4
129.05569	57.6
130.05894	1.1
137.02435	2.1
138.02788	0.6
139.02919	0.1
143.07118	0.2
145.07529	0.1
145.08693	2.2
153.05565	0.1
169.56348	0.1
171.06607	3.2
172.06979	0.1
189.07663	100.0
190.07986	2.6
373.06049	0.1
457.16949	0.3
647.50867	0.1
879.11981	0.1
901.40759	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	1045.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	0.9
73.02944	8.3
75.00863	0.8
75.09139	0.5
83.01370	3.3
85.02941	10.7
87.00862	1.3
89.02440	6.9
95.01367	2.3
97.02951	0.9
99.00880	2.1
101.02442	19.3
102.93071	0.5
111.00854	0.7
113.02439	11.5
115.00391	0.7
117.03461	11.6
118.04362	0.5
119.03501	2.9
119.05019	27.9
120.05302	0.8
121.02955	6.2
123.04509	2.1
125.02393	0.8
133.02939	1.1
134.03752	0.8
143.03462	2.1
145.02965	1.9
149.04463	0.7
151.11192	0.8
151.15857	0.5
159.02969	1.5
161.04549	8.0
162.03186	1.6
163.03999	48.9
163.11183	0.5
164.04352	1.8
177.12820	0.6
179.05626	1.5
181.12317	1.5
185.09770	1.0
189.12874	1.3
203.05600	1.6
207.13864	3.3
225.14960	2.0
229.08615	0.9
231.10246	0.9
293.44492	0.5
325.16620	1.5
351.18234	3.6
369.19150	17.3
370.19501	1.2
387.20197	41.1
388.20334	2.8
409.14990	100.0
410.15356	6.9
429.21255	43.3
430.21805	3.4
613.72668	0.6
634.56268	0.5
920.05273	0.6
1039.62634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
80.20454	2.0
95.05013	5.6
96.00285	2.1
99.08154	31.4
123.04520	100.0
124.04892	3.2
127.07649	63.4
129.05574	34.9
137.69890	2.1
153.05573	59.4
171.06621	12.3
183.01161	4.1
193.18185	2.2
218.97734	2.1
218.99876	2.1
279.23386	10.9
285.09869	2.5
289.73727	2.4
294.82376	2.4
325.18475	12.5
365.97516	2.2
439.16034	4.0
441.04153	2.1
457.17178	62.7
458.17453	4.3
501.65408	2.0
547.32678	6.8
719.40002	56.9
720.40106	7.3
1047.49561	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	1048.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
74.70766	17.6
99.08136	31.2
123.04530	100.0
127.07636	56.5
129.05521	34.3
153.05559	58.5
440.38409	19.6
457.16818	35.2
558.67480	19.6
702.40601	18.4
717.38135	68.3
719.39197	20.1
720.38525	23.2
1077.80920	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	1048.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
95.33596	9.7
98.19895	33.1
99.08158	17.1
123.04539	100.0
124.04812	14.2
127.07681	61.3
128.07950	11.2
129.05594	32.1
153.05557	65.9
154.05923	14.2
173.68483	8.0
202.89720	8.4
238.81935	8.5
252.14764	8.8
255.23462	18.1
339.48779	9.9
395.41446	9.3
457.17148	40.4
458.17636	19.3
459.17383	17.9
618.36536	12.2
717.38770	33.6
718.39185	9.8
720.39368	16.4
894.84570	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	1049.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99294	0.7
73.02947	3.3
79.05563	0.4
79.13162	0.4
81.07077	1.5
83.01382	2.3
83.05026	1.3
85.02950	8.7
87.00876	2.3
89.02441	11.2
93.03423	0.5
94.04244	1.1
95.01392	3.5
95.05043	0.9
97.02948	3.0
99.00866	2.1
101.02441	13.3
109.06589	6.6
111.00878	0.8
113.02444	16.1
117.17134	0.3
119.03513	3.6
119.05023	0.9
119.50185	0.3
121.02962	0.5
123.03628	0.7
123.04525	14.6
124.04876	0.5
125.02441	2.6
125.06094	0.7
127.07648	57.4
128.07962	1.2
129.05566	0.5
131.03497	1.3
138.03223	8.6
141.01917	0.7
143.03510	3.7
149.04631	0.4
153.05568	88.3
154.05931	2.7
159.02997	0.4
161.04544	14.0
161.05901	0.7
163.03998	1.3
171.06619	40.6
172.06941	1.0
179.05591	7.8
180.46700	0.3
187.11383	0.3
221.06679	2.9
233.12112	0.3
234.71269	0.3
245.06705	2.7
263.07681	2.8
323.09811	5.4
324.88614	0.3
333.11877	0.7
341.10883	2.9
435.18805	0.6
439.16055	100.0
440.16418	7.0
447.15042	10.4
448.15280	0.6
592.11713	0.3
601.21344	50.3
602.21643	4.7
619.22394	6.9
620.22992	0.5
781.27655	65.3
782.27985	8.0
782.42218	0.5
792.05817	0.4
869.30658	1.2
922.39740	0.4
1031.94128	0.3
1059.51001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99295	1.0
73.02940	1.3
73.06969	0.4
81.07095	1.6
83.01379	1.1
83.05020	1.8
83.34625	0.4
85.02946	2.8
87.00864	1.5
89.02441	13.5
93.03481	0.9
94.04241	0.7
95.01395	1.0
95.05008	0.8
97.02924	0.9
99.00887	1.0
101.02439	9.5
109.06577	5.1
111.00870	0.8
113.02447	6.5
115.00431	0.5
119.03519	5.6
119.04966	0.4
121.00601	0.4
121.03031	0.5
123.04520	16.9
124.04832	0.6
125.02443	4.6
125.06115	0.4
127.07649	63.3
128.07977	1.4
131.03535	1.1
138.03239	6.6
143.03534	1.9
153.05568	92.0
154.05904	2.3
161.04536	3.3
163.03941	1.1
165.01907	0.5
171.06619	39.2
172.06964	0.7
179.05603	9.5
179.10770	0.6
216.90993	0.4
221.06627	1.7
263.07718	0.6
300.02414	0.5
323.09802	19.0
324.10254	0.8
333.11911	1.3
383.09821	0.7
439.16052	100.0
440.16415	7.1
447.15054	22.4
448.15302	1.3
457.17221	1.1
463.08978	0.5
601.21356	72.4
602.21735	7.6
619.22382	15.9
620.22589	1.0
627.23157	0.5
715.25104	0.5
781.27686	13.4
782.27917	1.3
869.30872	1.0
1049.36304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
72.80225	0.4
72.99297	1.1
73.02955	1.0
81.07092	1.7
83.01382	1.4
83.05007	1.1
85.02945	3.9
87.00877	1.2
87.96519	0.5
89.02441	12.9
93.03473	1.0
95.01389	1.2
95.05042	1.1
97.02922	0.8
99.00880	0.7
99.08154	0.5
101.02439	11.5
106.06620	0.6
109.06591	5.8
109.94692	0.5
110.55146	0.5
111.00833	0.6
113.02442	7.1
115.00351	0.8
119.03492	6.5
121.02988	0.9
123.04513	18.3
125.02451	3.9
125.06136	0.4
127.07647	65.1
128.07997	2.0
131.03508	1.5
138.03218	8.4
143.03479	1.4
148.93204	0.4
149.04546	0.7
153.05568	92.7
154.05873	2.1
161.04546	4.1
163.03967	0.6
168.96001	0.5
171.06619	38.3
172.06947	0.9
179.05594	9.2
180.06731	0.5
221.06720	1.3
262.06750	0.5
263.07809	1.0
266.76068	0.5
323.09799	21.3
324.10104	0.7
333.11902	1.7
380.26550	0.4
439.16052	100.0
440.16333	6.9
447.15054	21.9
448.15146	1.4
457.16708	1.1
559.70532	0.5
601.21338	81.5
602.21796	6.6
619.22363	15.3
620.22516	1.7
781.27686	13.2
782.27789	1.3
869.31036	0.6
1049.35986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	0.9
73.02950	4.7
74.67068	0.4
83.01373	1.8
85.02943	9.0
87.00890	1.1
88.98772	0.6
89.02432	6.0
93.03470	1.1
95.01393	1.5
95.05029	1.9
96.96011	0.5
97.02937	0.8
99.00884	2.0
99.08155	30.3
101.02438	12.7
105.03472	0.8
109.06593	1.3
111.00880	0.6
113.02438	10.0
119.03504	2.4
119.05023	1.6
121.02950	1.0
123.04518	77.6
124.04850	1.7
125.02460	0.5
127.07647	47.7
128.07990	0.9
129.01894	0.5
129.05568	16.5
130.05878	0.6
131.03542	0.5
138.03207	0.9
143.03482	1.4
143.07294	0.5
149.02446	1.5
149.04547	0.6
149.19878	0.5
153.05568	51.4
154.05893	1.7
159.03015	1.3
161.04558	8.8
163.04001	2.3
171.06601	9.7
174.01682	0.5
175.02466	0.5
179.05614	2.7
189.07669	1.8
193.05115	0.7
221.06607	0.7
241.08574	0.6
244.55913	0.4
285.09775	18.7
286.10056	0.6
323.10394	0.6
341.19550	0.7
381.22910	4.4
399.23813	9.8
400.24063	0.6
439.16135	1.9
441.24905	21.7
442.25522	1.0
457.17111	100.0
458.17429	7.1
1049.57214	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	105.0194
Annotation	D-Glycerate
Peak:m/z	Relative Intensity
59.01382	23.9
69.69021	5.6
72.99309	85.4
75.00872	24.9
76.53301	0.8
77.03959	10.0
90.34410	0.8
93.03469	2.1
95.05025	13.9
98.19980	1.1
103.61328	0.8
105.01934	100.0
106.02254	2.2
111.67004	0.9
113.41918	0.8
118.99881	1.1
121.02975	1.5
123.04523	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	30.2
61.29972	0.7
66.39318	0.9
70.44089	2.8
70.44456	1.4
72.99311	94.1
73.99655	1.4
75.00876	28.0
105.01942	100.0
106.02316	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63816	0.7
59.01382	30.5
60.01696	1.1
69.54552	3.3
69.54963	1.7
72.99308	94.0
73.99638	2.7
75.00873	28.5
75.01304	1.5
80.58475	0.7
87.64561	0.7
89.35963	0.7
103.00405	1.1
105.01936	100.0
106.02276	3.3
114.58030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66013	0.8
54.79166	0.8
59.01380	27.7
63.09544	0.7
70.55424	1.7
70.55761	1.0
72.99306	92.9
73.99643	1.8
75.00874	25.0
87.36383	0.7
98.20587	0.7
103.00382	1.0
105.01930	100.0
106.02273	2.4
113.18221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20640	42.5
99.08157	29.7
123.04508	96.5
124.04861	16.0
127.07642	64.7
128.08022	14.4
129.05579	39.2
153.05655	62.9
171.06628	18.2
183.01166	16.1
203.98380	11.1
211.64656	14.8
254.59351	11.3
325.18420	48.3
326.18793	18.9
457.17218	52.1
458.17642	25.2
459.17538	15.8
579.57153	15.0
719.39960	100.0
720.40643	36.1
721.40485	29.0
722.40887	38.0
1041.47937	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	1050.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
77.44958	31.1
88.79411	28.7
123.04508	100.0
124.04851	38.7
127.07643	67.4
129.05603	38.8
153.05580	81.8
156.70879	32.5
166.14479	26.9
204.12524	29.8
267.24969	27.2
272.32242	30.5
309.30646	30.8
325.18307	90.6
392.57239	33.8
719.40057	87.8
1068.80151	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99284	1.3
73.02946	15.2
75.00877	2.2
79.01912	1.3
81.03455	7.3
83.01385	72.4
83.05018	2.3
84.01726	1.6
85.02951	12.0
87.00845	2.4
89.02440	10.4
95.00816	2.2
95.01380	25.8
97.02951	4.6
99.00866	2.9
99.04519	3.2
99.08167	6.4
101.01796	2.1
101.02438	25.2
106.06673	1.2
107.05028	1.4
108.02154	3.2
109.02961	1.9
111.04500	3.4
113.02446	36.1
113.06103	1.9
115.00278	1.2
119.03495	3.4
119.05002	4.3
123.00876	5.0
123.04504	10.4
125.02447	24.0
127.00369	69.4
127.07640	10.3
129.05571	18.3
131.03502	4.7
131.50270	1.2
135.04494	2.1
137.02458	1.8
139.00368	15.0
140.89223	1.2
141.01907	1.8
143.03461	4.3
147.08247	1.2
149.04581	6.6
150.05643	1.6
151.00363	23.7
152.01144	2.9
153.01984	1.9
153.05573	10.5
155.03375	1.3
157.01405	15.0
161.04553	13.9
161.13374	18.3
163.03978	4.0
169.01404	12.6
171.06618	4.0
177.01875	1.2
179.05562	4.8
187.11246	4.3
189.07661	24.8
190.08101	1.3
205.12311	43.9
206.12590	1.7
207.10234	1.6
211.02466	1.5
221.06696	10.0
223.13368	7.4
225.13982	1.2
229.03352	1.6
247.04546	1.7
249.11319	27.8
267.12360	3.3
287.13031	1.4
309.13440	1.9
315.07190	5.1
323.09906	3.4
367.17493	2.8
409.18063	1.6
411.16281	1.6
431.26581	4.7
439.15991	3.5
447.14612	2.1
449.27484	7.0
457.16995	6.2
499.19086	3.5
517.20734	100.0
518.21124	8.9
535.22003	11.9
536.21631	2.1
559.21820	14.7
577.22900	17.3
603.20636	7.6
619.22284	6.2
643.23993	3.0
679.26324	2.2
783.28143	1.5
913.31256	37.1
914.31366	3.8
939.93213	1.7
943.31958	2.7
955.31689	8.1
1051.49854	2.2
1052.42346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02935	3.8
83.01364	2.3
83.05027	1.1
84.81166	0.4
85.02943	7.3
87.00883	1.5
89.02457	1.9
93.03471	0.5
93.07087	0.4
95.01395	1.6
95.05036	0.6
97.02955	0.7
98.19814	0.8
99.00875	2.5
99.04522	1.2
101.02434	9.1
101.68861	0.4
107.05008	0.7
113.02439	8.8
115.00368	0.9
119.03493	1.2
119.04993	1.2
120.05809	0.5
123.04507	3.2
125.02444	0.5
125.06064	0.9
127.00283	0.4
131.38136	0.4
133.01367	2.1
133.10254	0.5
135.11819	1.2
143.03487	1.8
145.10219	0.8
149.04558	0.7
153.05588	0.5
159.02977	1.9
161.04543	24.9
161.09753	2.1
161.13347	9.7
163.04007	2.5
163.11301	4.4
173.53342	0.5
185.13403	0.5
187.11314	2.6
189.09181	0.8
205.12308	9.7
207.10251	4.7
221.06636	76.6
222.07010	1.8
223.13373	18.7
224.13782	0.7
229.12398	0.8
231.10262	0.7
249.08745	0.5
249.11292	10.3
267.12360	7.7
273.11386	0.6
291.12387	0.7
371.09802	16.7
372.10043	0.9
393.15555	3.0
411.16708	0.7
429.17380	0.6
431.13144	1.0
439.16418	0.5
499.19675	0.9
509.24704	0.5
517.20709	18.1
518.21045	1.5
535.21802	100.0
536.22211	7.0
559.21686	1.3
569.47223	0.6
577.22876	1.0
603.20898	1.1
712.24951	0.5
855.30811	0.5
871.31195	0.5
889.31506	5.3
1051.35791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	8.9
75.00879	0.9
79.01882	0.8
81.03449	5.0
83.01383	45.5
83.05002	1.1
85.02950	10.2
87.00870	1.9
89.02442	3.6
95.01382	12.4
95.05043	1.0
96.29330	0.8
97.02949	3.2
99.00848	4.3
99.04506	4.0
99.08164	1.7
101.02441	16.2
110.74508	0.9
111.00890	1.1
111.04494	1.2
113.02448	23.2
119.03482	2.6
122.12441	0.9
123.00856	2.8
123.04489	5.0
124.01703	1.0
125.02451	16.5
127.00368	38.8
127.07602	1.8
127.67178	0.8
129.05536	1.4
131.03488	1.5
135.11729	1.5
139.00351	7.6
143.03479	2.1
145.10170	0.9
149.04474	1.2
150.99214	1.0
151.00371	16.8
153.05550	4.6
157.01398	7.9
159.02980	2.4
161.04544	26.1
161.09714	2.7
161.13341	18.7
163.04012	1.2
163.11255	3.0
169.01425	5.6
179.05600	1.4
187.11227	4.6
193.04910	0.9
194.93967	0.9
205.12311	22.9
206.12866	0.9
207.10263	5.3
221.06641	86.6
222.06993	1.6
223.11368	1.6
223.13383	20.7
224.13638	1.2
229.03487	1.3
229.12201	1.1
231.10283	1.2
249.11287	22.2
267.12442	8.2
276.72604	0.9
338.24759	0.9
339.34064	0.9
355.15274	0.9
367.17224	1.9
371.05533	1.6
371.09790	17.2
393.15295	3.0
409.18683	1.0
411.16458	1.6
439.16016	2.7
457.17065	1.4
499.19296	3.4
517.20734	60.1
518.21277	4.5
535.21814	100.0
536.22113	7.0
559.21680	9.0
577.22778	16.4
603.20795	3.7
631.23779	1.7
642.71429	1.3
643.23883	2.9
644.23822	1.0
657.21881	1.2
684.67346	1.0
805.65784	1.1
889.31085	3.6
913.31305	26.3
914.31372	2.8
943.32324	2.7
955.32770	5.8
1051.39734	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	1052.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
88.00387	12.3
88.98827	67.2
99.08138	14.5
107.79978	12.0
123.04523	100.0
127.07619	54.2
129.05569	38.8
153.05591	62.8
171.06551	16.4
346.89014	13.8
373.56134	12.8
408.00150	12.7
457.17017	59.3
695.39471	21.6
721.41803	40.6
723.42523	24.4
775.54010	13.8
1088.16980	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	1052.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49409	28.6
98.20641	100.0
120.22982	31.6
123.04501	81.0
127.07635	61.7
153.05576	56.7
190.28595	31.1
194.61507	30.5
311.16708	39.2
441.64825	30.4
457.16464	34.0
458.17648	33.1
504.85037	29.6
608.92761	30.4
618.15234	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07103	1.4
83.05035	1.0
85.02950	0.8
89.02436	0.5
92.74229	0.3
93.03426	0.5
94.04244	0.5
99.34714	0.3
101.02433	1.2
103.05539	0.6
109.06573	2.9
113.02436	2.4
115.05542	1.0
119.03514	1.8
119.04977	0.4
123.04526	11.6
123.05402	0.8
125.06067	0.4
127.07652	22.0
131.05019	2.5
133.06598	1.2
138.03233	4.7
143.03534	0.5
143.05020	0.4
147.02812	0.4
147.03174	0.4
147.03532	0.2
147.04515	19.4
153.05569	71.8
154.05917	1.5
161.04562	3.7
161.06079	12.8
171.06619	19.6
179.05585	0.8
189.05576	5.6
201.05649	0.7
219.06573	0.6
237.07710	0.6
249.07683	1.4
303.25204	0.4
309.09833	3.7
333.11841	0.4
424.73352	0.4
439.16064	100.0
440.16394	7.1
457.17294	0.5
481.17099	0.9
569.20532	2.0
601.20709	0.5
707.25311	0.7
749.26569	58.6
750.26959	7.0
957.14203	0.4
1017.34937	0.4
1053.34204	2.7
1054.34351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	0.2
85.02950	0.3
95.05034	0.3
97.32590	0.1
98.20684	0.2
99.08158	4.1
101.02434	0.4
109.06587	0.2
113.02441	0.4
123.04524	11.2
124.04852	0.3
127.07648	6.4
129.05583	2.2
138.03203	0.4
147.04491	0.5
153.05569	9.0
161.04539	0.6
161.05882	0.2
167.66458	0.2
169.06546	0.8
171.06636	1.8
182.07364	1.3
183.66824	0.2
189.05617	0.2
189.07658	0.3
197.06059	0.6
198.06837	5.3
198.08662	0.3
199.07219	0.1
207.04622	0.2
209.06038	0.3
225.05559	1.8
225.74330	0.1
226.06342	57.7
227.06659	2.3
241.08688	100.0
242.09023	4.4
285.09808	2.6
286.10321	0.2
385.12939	0.4
439.16037	3.0
440.16299	0.2
445.14847	0.8
457.17139	12.2
458.17542	0.9
489.26978	0.2
569.20105	0.3
749.26422	1.4
750.26233	0.2
780.56390	0.1
785.40393	0.2
891.35278	0.2
938.14856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.4
98.19978	0.3
107.01389	1.9
108.02168	0.9
109.02911	0.8
109.03611	0.2
121.02953	1.4
123.04493	0.2
135.00880	0.7
148.01648	0.9
151.00352	7.1
153.53810	0.2
161.02469	0.3
163.00394	1.7
164.01106	0.5
174.03255	0.2
178.99844	4.3
187.03943	0.3
198.03128	0.3
198.37393	0.3
199.03961	0.6
211.03969	0.9
215.03484	0.5
226.02701	1.4
227.03455	2.5
228.03949	0.3
229.04977	0.8
243.02962	8.5
244.03520	0.4
245.04497	1.2
254.02179	2.1
255.02960	17.5
256.03424	0.9
271.02457	41.4
272.02945	2.8
273.03888	1.0
283.02417	1.0
299.01971	1.0
300.02716	75.1
301.03464	35.2
302.04007	1.3
306.62656	0.3
343.04330	0.3
343.46176	0.3
358.76956	0.3
415.99466	0.2
439.21384	0.3
463.08786	100.0
464.09100	7.1
520.67017	0.2
525.19141	0.3
558.69275	0.3
673.17212	0.3
730.70557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05500	0.4
81.07095	1.9
83.01394	0.9
83.05032	1.4
85.02951	2.0
87.00874	0.5
89.02454	0.5
93.03471	0.7
94.04240	0.3
95.01353	0.4
95.05042	0.7
96.03124	0.3
96.95988	0.3
97.02956	0.4
99.00887	0.5
101.02431	4.0
103.05531	0.7
109.06583	5.9
113.02447	3.8
115.05521	1.2
117.03522	0.4
119.03506	0.4
119.05045	0.5
119.49533	0.3
121.02932	0.7
123.04520	18.8
124.04859	0.5
125.02406	0.7
125.06074	0.4
127.07645	27.7
128.07954	0.6
129.05588	0.7
131.03487	0.6
131.05035	2.7
133.06575	1.2
138.03227	9.3
143.03496	2.1
143.05034	0.5
145.06616	0.3
147.04512	31.7
148.04872	0.8
149.04568	0.5
153.05566	100.0
154.05885	2.5
157.06821	0.3
161.04575	1.9
161.06050	12.0
171.06622	16.0
172.06943	0.4
179.05600	0.7
187.11330	0.3
189.05522	2.9
197.37798	0.3
201.05521	0.3
203.05635	0.7
219.06723	0.3
221.06766	0.5
243.06577	0.5
249.07687	0.9
285.09689	0.5
289.13000	0.6
291.08728	2.7
309.09656	0.6
351.10718	0.6
393.13660	0.3
414.13403	0.3
421.15067	2.0
433.15213	0.7
439.16046	78.7
440.16357	4.9
463.15927	0.4
481.17014	5.0
523.18237	4.4
524.18811	0.4
536.95178	0.4
569.20178	6.6
570.20819	0.7
611.21027	0.5
643.22504	0.9
661.23517	2.2
749.26965	0.5
791.27606	32.6
792.27783	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	1059.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01853	0.2
79.05534	0.5
79.71393	0.2
81.07093	2.0
83.01379	2.5
83.05033	1.4
85.02939	1.1
86.41959	0.2
87.00856	0.2
89.02435	0.6
93.03461	0.8
94.04237	0.7
95.01389	0.3
95.05041	0.8
97.02944	0.6
99.00892	0.2
101.02438	5.9
102.02782	0.2
103.05537	0.3
105.03427	0.3
108.02180	0.2
109.06586	6.1
113.02450	3.2
115.05533	0.6
117.03438	0.4
118.39971	0.2
119.03470	0.9
119.04993	0.5
121.02945	0.6
123.04520	14.7
124.04817	0.3
125.02433	1.1
125.06047	0.4
127.07647	34.3
128.07961	0.8
129.07071	0.2
131.03473	0.6
131.05016	2.0
133.06577	2.0
138.03229	8.0
139.03525	0.2
143.03516	1.8
145.06569	0.4
147.04515	15.6
148.04840	0.4
149.02504	0.2
149.04544	1.5
153.05566	100.0
154.05908	2.3
155.03485	0.6
155.07141	0.2
157.06577	0.2
159.04453	0.3
161.04546	3.3
161.06070	4.7
162.06377	0.3
171.06618	23.1
172.06931	0.5
175.07596	0.2
179.05627	0.4
187.07594	0.2
189.05569	5.5
191.07166	0.2
201.05548	0.3
203.05603	4.6
203.07486	0.2
219.06630	0.5
221.06642	1.9
233.11696	0.3
233.86075	0.2
249.07707	0.2
285.09833	0.7
289.12793	0.2
291.08627	1.3
351.10876	0.7
375.12943	0.5
418.13568	0.2
421.14999	4.7
422.15414	0.4
433.14917	0.4
439.16052	76.2
440.16357	6.3
463.15958	0.3
481.17081	2.5
482.18051	0.3
518.44861	0.2
523.18060	1.0
569.20203	18.0
570.20367	1.9
608.03241	0.2
611.21082	0.6
643.22150	1.2
661.23303	2.1
662.23578	0.3
699.02661	0.2
749.27081	0.3
781.84589	0.2
791.27612	19.8
792.27924	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	1059.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
73.79057	0.3
75.00886	0.3
79.05530	0.3
81.07081	1.8
83.01397	0.8
83.05006	1.3
85.02938	2.8
89.02440	0.9
93.03499	0.6
94.04259	0.7
95.01362	0.8
95.05030	1.1
97.02943	0.6
100.48283	0.3
101.02433	4.1
103.05544	0.4
105.03456	0.4
109.06580	5.6
113.02448	4.1
115.05538	1.1
117.72048	0.3
119.03532	0.7
119.05013	0.7
121.02954	0.7
123.04523	18.6
124.04881	0.6
125.02436	0.8
127.07645	25.8
128.08002	0.7
131.03494	0.6
131.05029	3.3
133.06577	1.0
138.03215	9.1
143.03490	3.2
143.04553	0.3
143.05074	0.3
145.06581	0.7
147.04515	29.4
148.04800	0.4
149.04504	0.5
153.05568	100.0
154.05931	2.4
161.04587	1.9
161.06050	14.5
162.06407	0.4
171.06621	15.6
179.05617	0.6
184.06229	0.3
189.05554	4.4
203.05615	0.7
221.06682	1.0
243.06635	0.4
249.07724	0.8
285.09830	1.2
289.12939	0.5
291.08792	2.2
302.11792	0.3
309.05948	0.3
309.09766	0.5
345.12268	0.4
351.10962	0.4
421.15161	1.7
433.15033	0.8
439.16071	74.6
440.16446	4.3
481.16995	4.1
482.16891	0.6
523.18103	3.3
535.21912	0.5
535.33191	0.3
569.20227	10.9
570.20636	1.0
611.21533	0.5
643.22168	0.7
661.23389	2.2
749.26599	0.5
773.17487	0.3
791.27618	31.7
792.28076	4.2
985.18896	0.4
1032.86511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03960	0.7
81.07097	0.5
83.01376	0.3
83.05029	0.9
85.02960	1.2
89.02475	0.6
93.03476	0.6
95.05016	3.0
99.00865	0.4
99.08158	38.8
100.08493	0.7
101.02429	2.1
103.63959	0.3
105.03441	1.2
109.06581	1.3
113.02448	1.9
121.02932	0.8
123.04523	100.0
124.04845	2.1
125.02496	0.3
127.07651	59.0
128.07965	1.2
129.05579	19.2
130.05917	0.5
138.03210	1.7
143.07198	0.3
149.02423	1.0
153.05571	65.2
154.05869	1.4
159.02982	0.4
161.04567	5.4
171.06619	13.6
179.05519	0.7
189.07686	2.8
196.79088	0.2
229.24612	0.3
279.43698	0.3
285.09784	24.1
286.10239	1.2
415.15875	0.3
439.15997	0.9
457.17126	76.3
458.17447	4.7
798.06860	0.3
1047.19678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03972	0.4
79.05517	0.4
81.07089	2.3
82.07391	0.3
83.05030	1.7
85.02946	0.6
89.02438	0.9
93.03477	0.4
94.04225	0.9
95.05022	1.1
99.08150	2.6
101.02419	1.6
101.06107	0.3
105.03474	0.4
109.06590	5.1
113.02456	1.2
119.03503	0.4
121.02974	0.8
123.04518	25.5
124.04842	0.5
125.06091	0.6
127.07648	23.0
128.08028	0.6
129.05574	15.8
138.03221	8.6
149.02365	0.4
153.05566	100.0
154.05908	2.7
161.04533	1.2
171.06619	15.9
179.05586	0.6
187.11307	0.4
231.08725	0.7
278.34161	0.4
285.09763	1.4
291.10876	3.1
333.11868	0.7
343.80939	0.3
351.12845	0.5
351.16721	0.5
439.16052	78.6
440.16299	6.0
457.17136	12.3
457.22369	0.4
458.17682	0.5
481.17273	1.0
495.72821	0.3
499.00894	0.3
499.18243	1.0
619.22351	3.6
620.22900	0.5
640.87341	0.4
675.26776	0.5
791.31775	1.0
1059.39331	5.9
1060.39465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05514	0.4
81.07068	1.9
81.34478	0.4
83.01372	0.6
83.05022	1.7
83.23109	0.4
85.02977	2.0
89.02440	5.5
93.03473	0.8
94.04234	0.6
95.01410	0.9
95.05025	3.0
96.07637	0.4
98.20865	0.4
99.00903	0.7
99.08166	6.5
101.02449	4.3
101.06110	1.0
102.15376	0.4
105.03456	0.6
109.06590	3.9
110.00085	0.7
113.02453	3.4
119.03538	2.2
119.04996	0.5
121.02979	1.3
123.04530	69.4
124.04851	1.4
125.02404	0.4
125.06049	1.0
127.07658	49.2
128.08011	1.0
129.05586	89.2
130.05940	1.3
133.13637	0.4
138.03230	6.9
143.03477	0.9
149.02454	0.7
153.05580	100.0
154.05948	2.2
161.04575	3.6
171.06633	25.9
172.06993	0.4
179.05612	5.2
179.07039	0.5
189.07735	0.4
195.06659	0.4
285.09790	5.5
291.10861	9.5
333.11935	5.8
351.13028	0.9
397.15201	1.6
439.16104	41.0
440.16241	2.0
451.81155	0.4
457.17160	87.4
458.17471	5.5
481.17191	3.7
601.21124	0.5
611.23419	1.3
619.22443	38.7
620.23077	2.6
661.23828	1.7
675.26654	1.0
707.25269	1.0
725.26349	3.5
726.27106	0.6
791.30804	0.4
879.32825	10.7
880.33221	1.4
887.31818	0.7
1059.39209	19.5
1060.39709	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	1059.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07085	2.2
83.01382	0.7
83.05024	1.2
85.02969	1.1
89.02438	3.2
93.03477	0.9
94.04250	0.9
95.05025	1.6
98.76465	0.4
99.08154	4.5
101.02441	3.0
105.03446	0.5
108.02166	0.6
109.06584	6.5
113.02445	1.5
119.03492	1.0
121.02937	0.4
123.04525	30.9
124.04893	0.8
127.07654	27.8
128.07988	0.8
129.05576	15.8
138.03223	8.7
143.03508	0.5
152.01176	0.4
153.05571	100.0
154.05894	2.4
161.04576	1.8
171.06616	18.4
172.06848	0.5
179.05598	2.8
193.04976	0.7
231.08603	0.7
275.09564	0.5
285.09793	1.8
291.10797	2.7
315.06998	0.8
333.11984	1.0
351.12854	1.3
351.16611	0.9
439.16061	72.4
440.16568	4.2
457.17102	14.6
458.17538	1.0
481.16913	1.1
482.17621	0.5
499.18344	1.0
619.22363	17.7
620.23029	1.3
661.23511	0.6
675.26984	0.5
791.32318	1.3
1014.17474	0.5
1038.54639	0.5
1059.38843	6.8
1060.39709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07085	0.3
83.01384	1.5
83.05027	0.3
85.02950	3.6
87.00890	0.3
89.02442	0.5
93.03441	0.4
95.01390	0.8
95.05034	1.7
97.02954	0.6
99.00871	1.2
99.08160	23.9
100.08501	0.3
101.02439	5.2
101.06087	0.3
102.11644	0.2
105.03449	0.8
106.06593	0.3
109.06599	0.9
111.00861	0.4
112.01662	0.4
113.02457	3.9
119.05021	0.5
121.02989	0.5
123.04525	66.0
124.04874	0.9
125.02466	0.5
127.07654	44.3
128.07985	0.5
129.05580	27.7
130.05879	0.5
137.02469	0.3
138.03227	1.1
143.03485	0.7
149.02455	0.5
151.07649	0.3
153.05574	29.8
154.05919	0.8
159.03043	1.1
161.04562	6.7
163.03984	0.8
171.06627	8.2
189.07668	2.2
195.43079	0.2
203.07179	0.3
207.06519	0.3
222.20845	0.2
229.03566	1.0
269.10291	3.4
283.61142	0.2
285.06879	0.3
285.09811	4.4
311.11270	0.4
327.10825	0.3
331.13977	1.5
337.09271	11.6
338.09787	0.5
353.08780	2.7
395.09973	0.3
421.14716	0.3
439.16064	9.0
440.16705	0.5
457.17145	100.0
458.17523	5.9
481.17276	3.6
482.16974	0.3
499.18411	1.5
515.13904	1.2
525.16162	5.7
609.18280	0.6
623.19836	0.8
669.20459	0.2
687.21381	7.6
688.21606	0.8
725.26593	0.6
793.25580	11.3
794.25720	1.4
795.26831	1.2
1053.01074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05016	1.5
84.49851	0.7
85.02946	1.8
89.02444	2.1
95.01398	0.8
95.05022	1.7
99.08155	17.4
101.02446	2.5
106.06625	52.3
107.06959	1.1
108.08194	1.7
109.06605	1.0
113.02437	2.2
118.06622	1.0
121.02929	0.8
123.04521	46.0
124.04858	1.6
127.07649	34.7
128.08014	0.8
129.05580	52.3
130.05865	1.0
134.03745	1.0
135.04466	1.7
138.03253	2.5
147.04526	2.2
148.07645	0.9
150.05603	57.5
151.05936	1.1
153.05566	27.3
154.05939	1.7
157.08554	0.7
161.04555	2.1
163.04028	1.4
164.07118	4.1
171.06604	8.9
175.04063	0.9
179.03473	1.5
187.86229	0.7
189.07678	17.4
190.07950	0.8
190.12239	1.1
192.06621	3.9
193.05031	1.2
194.04599	2.8
214.81889	0.7
236.05568	2.7
262.47256	0.9
285.09869	3.8
294.09827	3.5
328.78320	0.9
338.08954	3.9
338.19800	1.9
356.20654	1.2
418.15109	3.8
439.16147	6.4
440.16440	3.6
457.17081	32.1
458.17075	1.8
462.14001	5.0
504.15628	0.8
590.22247	11.5
634.21368	5.3
749.26392	1.1
750.27008	1.6
778.25342	2.1
796.37549	1.8
884.29724	4.8
902.30853	100.0
903.31152	13.4
944.31384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05016	1.5
84.49851	0.7
85.02946	1.8
89.02444	2.1
95.01398	0.8
95.05022	1.7
99.08155	17.4
101.02446	2.5
106.06625	52.3
107.06959	1.1
108.08194	1.7
109.06605	1.0
113.02437	2.2
118.06622	1.0
121.02929	0.8
123.04521	46.0
124.04858	1.6
127.07649	34.7
128.08014	0.8
129.05580	52.3
130.05865	1.0
134.03745	1.0
135.04466	1.7
138.03253	2.5
147.04526	2.2
148.07645	0.9
150.05603	57.5
151.05936	1.1
153.05566	27.3
154.05939	1.7
157.08554	0.7
161.04555	2.1
163.04028	1.4
164.07118	4.1
171.06604	8.9
175.04063	0.9
179.03473	1.5
187.86229	0.7
189.07678	17.4
190.07950	0.8
190.12239	1.1
192.06621	3.9
193.05031	1.2
194.04599	2.8
214.81889	0.7
236.05568	2.7
262.47256	0.9
285.09869	3.8
294.09827	3.5
328.78320	0.9
338.08954	3.9
338.19800	1.9
356.20654	1.2
418.15109	3.8
439.16147	6.4
440.16440	3.6
457.17081	32.1
458.17075	1.8
462.14001	5.0
504.15628	0.8
590.22247	11.5
634.21368	5.3
749.26392	1.1
750.27008	1.6
778.25342	2.1
796.37549	1.8
884.29724	4.8
902.30853	100.0
903.31152	13.4
944.31384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01371	3.7
85.02956	6.3
87.00829	1.0
89.02450	4.2
93.03472	1.1
95.01380	1.6
99.00893	1.3
99.04536	0.8
99.08152	7.5
101.01803	1.2
101.02438	14.5
113.02441	8.4
115.00364	2.4
119.03543	2.0
119.05024	61.6
120.05347	2.2
123.04535	1.4
124.61325	0.7
125.02473	1.0
127.07643	18.6
129.05571	14.5
131.03505	1.3
133.01439	0.9
143.03476	1.7
145.42552	0.8
149.04526	2.3
153.05559	8.2
161.04533	8.3
163.04002	100.0
164.04312	3.2
171.06613	5.9
189.07651	1.0
195.13821	0.9
203.05585	1.8
205.12286	2.8
207.13820	2.4
221.06561	1.5
223.13332	1.5
224.13669	1.0
225.14995	5.4
263.11319	1.6
269.08176	4.2
325.09256	30.9
326.09488	2.5
339.70923	0.9
351.12955	11.2
369.19098	13.0
383.09622	1.1
387.20227	13.2
388.19882	0.8
417.12302	0.9
419.34546	0.9
429.21255	27.6
430.21454	2.9
431.13409	30.5
432.13879	3.6
433.13840	1.1
435.18631	31.0
436.19205	2.1
447.08929	1.2
473.27335	0.8
613.94293	1.3
822.73053	0.9
1051.84375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
81.69643	0.1
83.05025	0.3
85.02925	0.4
93.03465	0.3
99.08154	12.8
100.08504	0.3
101.02407	0.3
101.06055	0.3
101.82079	0.1
119.03510	0.1
119.05004	0.2
121.02914	0.2
123.04501	0.9
127.07646	15.2
128.08002	0.3
129.05576	50.0
130.05920	0.8
137.02448	5.1
138.02776	1.0
139.03041	0.1
145.08699	1.9
153.05594	0.7
161.04475	0.2
163.03992	0.3
171.06627	3.3
179.03455	0.2
189.07671	100.0
190.07999	2.0
254.77034	0.1
312.59161	0.1
344.70749	0.2
439.16309	0.3
447.25955	0.3
457.17038	1.4
604.21143	0.1
706.39850	0.2
1067.37744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16065	0.2
69.36236	2.0
72.92139	0.3
77.03967	0.5
84.08072	0.2
85.56013	0.3
86.06596	0.3
95.05027	1.5
98.20611	0.5
105.03471	0.4
106.04242	5.7
107.05025	100.0
108.02142	1.3
108.04655	0.3
108.05357	6.3
121.02932	0.3
123.04513	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	1071.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
79.31386	0.2
83.01379	0.3
91.02969	0.2
95.01392	0.4
98.99123	0.2
107.01385	0.5
125.02402	0.3
134.03722	0.6
135.00795	0.3
139.00400	1.3
143.05019	0.2
151.00352	1.7
153.01903	0.3
163.00444	0.3
169.01390	0.3
174.03134	0.3
178.99864	0.6
182.99266	0.9
183.04486	0.4
185.06035	0.4
193.05057	0.8
211.04036	0.7
213.05464	0.3
227.03479	37.6
228.03822	1.5
229.05022	1.0
241.04988	0.3
255.02971	48.1
256.03607	5.5
257.04407	0.6
279.40338	0.2
284.03241	50.6
285.03961	15.4
286.04343	0.7
317.60422	0.3
319.67639	0.3
327.05026	0.9
372.36801	0.3
439.16315	0.5
447.09283	100.0
448.09598	5.5
461.14572	0.6
619.22418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02208	0.9
80.05057	2.5
85.02941	3.7
87.00893	1.6
89.02453	8.3
95.01392	1.5
98.19934	1.8
101.02461	6.5
102.44732	0.8
104.05076	0.8
106.06606	4.1
112.87003	0.8
113.02452	5.5
120.08192	1.3
121.05373	1.5
122.06097	11.0
123.04527	4.1
127.07631	2.2
129.05579	1.2
132.04562	2.3
134.06120	32.6
142.99774	1.0
148.04030	1.5
150.05472	0.8
152.07227	4.7
153.05537	2.5
158.02426	1.4
160.04008	1.2
160.06412	3.9
161.04669	1.0
174.05429	1.3
190.05154	6.1
192.06612	1.1
192.68118	1.0
193.05074	1.0
195.64114	1.0
213.10313	16.0
217.44362	0.8
223.08723	1.6
224.09500	1.1
225.10211	2.0
226.11079	2.7
226.52728	1.0
227.11926	1.5
235.08687	1.0
237.10425	2.2
239.11905	8.6
241.13402	10.4
249.10373	1.7
251.11867	12.3
252.12152	1.2
263.08206	2.6
265.09714	2.4
265.13416	2.1
267.11356	2.8
275.11990	1.6
277.09860	3.5
278.10489	1.6
278.27609	0.9
279.11243	2.1
285.12445	63.3
286.12888	1.9
291.07840	1.1
292.08502	1.8
293.12872	8.2
305.09155	3.4
307.10550	1.6
309.08957	1.2
314.12564	1.5
316.14511	3.9
328.10828	2.7
328.14478	1.9
329.11615	1.4
330.12463	1.0
332.17667	1.7
337.11978	6.1
340.14542	6.6
341.11713	2.0
342.12784	4.2
343.13141	3.3
344.14081	4.0
355.13571	1.4
356.14038	5.5
357.14523	2.1
358.15588	11.0
359.16010	1.8
366.12131	1.2
368.10294	2.3
368.14227	1.7
369.14594	2.9
370.11511	1.4
370.15533	4.1
371.16180	1.1
372.17157	2.3
382.11639	1.9
382.15933	1.5
383.12411	1.9
384.13306	15.2
384.17331	1.9
385.14044	1.3
391.16797	1.2
396.13449	3.4
397.14151	1.6
398.15024	9.7
399.15164	1.6
400.16647	5.5
410.14908	2.4
412.16544	8.1
426.14523	4.0
438.14624	2.0
444.15668	3.2
449.27533	1.9
453.18973	0.8
456.15536	1.1
457.17020	1.4
457.26907	0.9
461.15945	2.3
470.22342	0.8
475.17627	1.4
489.19482	3.0
490.19855	1.2
491.21014	4.1
505.22348	3.9
506.22937	1.3
517.18085	6.8
535.21564	1.0
545.22180	2.6
549.21289	1.6
553.21844	7.1
561.20367	1.0
563.22455	1.5
573.21313	3.8
591.22369	1.9
591.39545	1.3
637.23730	1.2
659.30109	1.0
683.27051	1.1
685.28992	1.6
686.29114	1.0
695.06744	1.0
725.27673	2.3
727.29376	1.1
729.26959	1.8
730.28607	2.2
743.29523	1.3
753.27643	24.6
754.28253	2.8
771.28656	17.5
772.28937	2.4
785.30359	2.0
803.31476	18.1
803.44403	0.6
804.31158	3.1
817.30396	1.1
859.31360	1.2
971.39276	1.1
997.37305	7.9
998.38409	7.2
1039.38208	100.0
1040.38257	16.3
1071.40747	74.8
1072.41345	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	1075.434
Annotation	Unknow
Peak:m/z	Relative Intensity
79.49284	0.2
85.02933	0.4
85.03424	0.2
93.03434	0.2
99.08157	13.7
100.08476	0.3
101.02481	0.2
106.06673	0.3
113.02465	0.3
113.32389	0.2
119.05019	0.4
119.93036	0.2
121.02950	0.2
123.04507	0.9
126.86061	0.2
127.07652	15.8
128.08034	0.4
129.05579	50.6
130.05890	1.2
134.06099	0.5
139.11305	0.2
145.02879	0.4
145.08714	2.1
153.05563	1.0
163.03992	0.4
171.06631	3.2
178.43019	0.2
181.12250	0.2
183.10219	0.6
189.07680	100.0
190.07994	3.5
219.79727	0.2
225.11395	0.2
243.12416	1.4
279.11401	0.3
304.38785	0.2
438.36957	0.2
439.16006	0.5
457.17630	0.2
511.21732	2.8
512.21735	0.4
538.93329	0.2
623.97675	0.2
710.47906	0.3
807.32568	0.3
920.33295	0.2
952.36859	0.5
1043.40125	1.5
1064.96436	0.2
1075.42468	1.7
1079.92224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02962	9.8
88.98818	24.0
89.02440	7.5
101.02430	10.6
109.06548	13.5
113.02460	10.9
116.92847	10.9
123.04517	32.1
127.07658	44.6
129.05624	12.8
138.03197	12.5
141.18143	5.3
147.04536	18.0
153.05559	100.0
161.04524	8.2
161.06013	12.2
171.06609	25.9
189.05528	5.6
253.97372	5.3
439.16138	69.8
455.26636	7.3
456.26843	7.1
457.16959	13.4
551.00537	6.6
569.20062	13.5
586.56213	6.2
717.77289	7.3
722.60211	6.8
749.26569	27.4
869.38654	5.8
894.43268	8.6
1077.58276	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	1080.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
123.04475	8.8
127.07669	18.7
147.04472	8.5
153.05560	49.9
171.06602	14.0
229.92677	9.4
354.85583	8.2
439.15994	100.0
440.16785	11.2
569.20239	9.0
592.78558	7.7
749.26154	62.8
960.75159	8.9
989.60321	8.6
1080.35059	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	1080.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60764	3.7
78.48788	3.7
98.19778	8.4
113.02447	6.2
123.04536	10.1
127.07648	20.0
127.36926	4.6
129.05562	9.7
147.04492	10.4
149.64952	4.0
153.05571	63.3
161.04521	10.4
171.06610	17.0
189.07651	8.4
215.67889	4.1
240.73239	4.1
277.43747	3.8
439.16071	100.0
440.16617	4.7
468.39075	4.0
547.92346	4.7
569.20178	10.2
725.22113	4.6
749.26556	65.0
750.26318	6.2
1080.35535	15.9
1080.79968	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	1080.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
83.22360	3.4
123.04475	5.1
127.07641	13.6
138.03185	4.1
147.04507	7.5
153.05577	43.6
161.04654	4.7
161.06071	8.8
171.06566	14.0
229.80739	4.2
290.97836	3.6
309.09705	5.8
379.73001	3.8
439.16046	100.0
440.16205	6.3
569.20044	5.7
749.26593	81.7
750.26349	9.6
1080.35022	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	1080.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
85.68784	5.8
98.20647	24.7
123.04503	9.9
126.19825	8.3
127.07664	13.8
153.05551	40.8
171.06593	11.8
181.22757	7.3
214.69710	5.7
229.75031	7.3
439.16046	100.0
440.16434	6.1
569.20184	10.0
619.21594	6.7
749.26306	75.4
750.26202	7.4
882.27185	6.7
1026.49609	6.4
1080.35974	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	1080.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
79.25301	2.7
86.84702	3.3
107.55733	3.0
113.02438	4.8
122.08080	4.1
123.04523	9.9
127.07668	16.6
147.04521	9.1
153.05569	45.4
161.04523	9.4
161.05862	4.2
165.70047	3.9
171.06609	14.2
189.05518	4.5
229.97066	3.5
439.16061	100.0
440.16281	7.6
457.16632	3.6
467.84439	3.3
569.20160	7.7
749.26489	71.3
750.27405	7.3
796.09589	3.7
1080.35254	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	1083.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07090	1.4
83.01376	3.3
85.02943	8.0
87.00866	3.4
89.02438	62.0
95.01382	3.5
101.02438	29.3
101.03115	1.5
107.01414	2.2
107.03487	0.9
108.02216	1.0
109.02974	1.4
109.06586	3.0
112.28699	0.8
113.02448	25.1
119.03497	26.3
121.02955	1.6
123.04521	9.9
125.02450	1.3
127.07648	10.0
131.03491	4.2
138.03232	5.3
143.03496	9.5
148.01669	1.2
149.04539	3.7
151.00363	7.9
153.05566	100.0
154.05922	1.5
161.04530	17.2
163.00343	2.0
171.06621	4.5
178.99895	3.3
179.05600	97.6
180.05940	1.7
199.04028	0.9
211.03938	1.8
226.02695	1.2
227.03534	2.6
229.04915	0.9
243.02953	6.8
245.04480	0.8
254.02209	1.4
255.02956	20.9
271.02444	43.4
272.02899	2.6
285.09778	2.6
299.02118	0.8
300.02722	65.6
301.03476	26.9
302.03912	1.3
333.11856	3.1
351.12921	5.2
405.13950	3.5
439.15936	7.6
457.17365	1.1
463.08804	46.9
464.09195	2.8
513.18494	1.0
515.25464	0.8
575.27307	1.5
603.81946	0.9
619.22369	89.7
620.22784	7.6
848.95050	0.7
986.56592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00887	0.1
75.29317	0.1
81.03451	0.2
83.01372	0.9
85.02943	1.5
87.00862	0.5
88.80850	0.1
89.02452	0.2
95.01391	0.4
96.96020	0.2
97.02947	0.4
97.06599	0.3
99.00869	0.5
101.02444	1.9
111.04543	0.2
113.02454	2.0
115.00379	0.3
119.03493	0.1
119.05000	0.2
123.04522	1.2
125.02469	0.6
125.09676	0.1
127.00355	0.6
127.07668	0.3
129.05598	0.2
143.03525	0.6
150.87881	0.1
152.07199	0.1
153.05576	0.6
159.02943	0.2
159.06606	0.1
161.04558	2.4
163.04041	0.2
167.21085	0.1
169.06592	0.5
171.06699	0.2
171.10307	0.9
175.02473	0.7
182.07391	0.9
183.13835	0.3
185.04524	0.2
189.07744	0.1
193.12466	0.1
197.06013	0.5
198.06851	3.4
203.05600	13.1
204.05893	0.2
209.06064	0.7
210.06714	0.3
211.13393	1.5
221.06659	4.7
221.11617	0.3
225.05589	1.4
226.06337	46.3
227.06699	1.9
229.03421	0.2
229.14404	0.9
240.07957	0.2
241.08688	100.0
242.09019	3.6
247.04572	6.1
248.04881	0.2
327.21744	4.6
328.22052	0.4
353.08942	0.2
371.09753	3.4
395.09811	1.1
409.09790	1.6
425.10907	0.2
437.10815	0.5
439.15829	0.5
440.16553	0.1
445.15009	11.3
446.15234	0.7
457.17245	0.2
471.13089	0.3
515.14063	2.5
667.38879	0.3
668.39508	0.3
709.40533	0.3
710.40833	0.3
757.23566	0.1
877.33105	0.2
909.36127	0.5
1047.87073	0.1
1085.47522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.6024
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	64.6
84.82703	0.1
96.96957	7.1
150.98018	2.3
152.99574	100.0
153.99910	0.7
171.00632	4.1
188.72488	0.1
204.97809	0.1
265.72787	0.1
277.21692	0.7
349.08545	0.1
396.72687	0.1
431.21976	36.7
432.22342	1.8
613.46008	0.1
1086.07666	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	1085.7496
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03438	0.4
83.01378	0.7
83.04999	0.8
85.02937	0.9
85.06585	0.4
87.00896	0.5
89.02457	2.1
97.02915	1.8
97.06631	0.4
101.02443	2.6
109.06601	0.9
111.04562	0.6
111.08137	1.2
113.02441	2.5
116.92841	0.8
119.03500	1.0
125.02452	0.4
133.05043	0.5
137.09731	0.7
137.96678	0.3
143.03448	0.5
153.12823	0.4
161.04558	1.7
161.37378	0.3
165.12846	0.4
169.12292	0.8
171.10323	1.9
179.05534	0.8
179.14400	0.6
183.13889	0.8
195.13881	4.9
197.11815	8.0
199.13383	0.4
209.15361	0.5
211.13345	1.5
217.16008	0.5
221.15454	3.2
223.13371	2.0
229.19600	0.4
232.06697	0.4
233.15405	0.9
235.08214	6.0
239.16467	1.2
247.20726	1.0
251.16492	1.0
253.09254	21.8
254.09654	0.8
261.22250	0.4
263.20145	0.7
273.18570	2.4
275.20169	0.4
277.21689	100.0
278.22061	4.0
279.23257	49.9
280.23624	2.6
291.19635	31.3
291.23038	0.9
292.19983	1.6
309.20676	77.6
310.21042	4.4
333.20605	0.4
513.30664	1.3
527.28644	2.0
545.29803	4.2
545.38190	0.6
569.42590	1.6
805.51257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.6414
Annotation	Unknow
Peak:m/z	Relative Intensity
86.07273	5.3
165.65253	5.3
190.33519	5.2
196.97089	5.4
229.33362	6.1
253.09138	15.7
277.21719	100.0
349.96359	6.9
401.99683	6.7
725.13116	6.3
752.67621	6.7
876.19086	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	1089.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07087	1.3
82.09574	0.3
82.14307	0.3
83.01388	2.7
83.05027	1.5
85.02955	3.2
87.00872	0.7
88.98746	0.3
89.02443	2.7
92.37172	0.3
93.03470	0.8
95.01384	2.2
95.05017	1.1
99.04532	0.6
99.08174	1.3
101.02435	4.6
105.03516	0.3
109.06593	5.6
113.02448	9.5
115.05533	1.5
117.03505	0.4
118.98064	0.4
119.03500	2.7
119.04956	1.9
121.02981	0.7
123.04521	17.6
124.04887	0.4
125.02435	0.8
127.00375	2.0
127.07646	37.6
128.07956	0.8
129.05565	2.4
131.05023	2.6
133.06593	2.1
134.06128	1.1
136.07668	0.4
138.03223	7.6
143.03461	1.0
145.06602	0.6
147.04515	18.7
147.08157	0.4
148.04897	0.8
149.02451	0.4
151.00348	0.7
153.05566	98.0
154.05899	1.9
157.01266	0.4
161.04561	5.4
161.06078	13.4
161.13351	2.6
162.06467	0.5
162.13731	0.6
163.03972	1.6
171.06618	27.4
172.06938	0.6
179.05583	2.4
187.11287	0.8
189.05563	7.8
189.07639	2.5
190.10666	0.3
193.05090	0.4
204.06358	0.4
205.12325	6.8
206.12675	1.2
207.10341	0.4
219.06606	0.9
221.06598	0.5
223.13461	0.7
237.07651	1.3
249.07692	1.0
249.11293	3.5
250.11580	0.6
267.11557	0.5
285.09708	1.1
309.09885	3.1
309.13150	0.6
386.14725	0.6
401.17245	0.4
409.18942	0.5
421.14886	2.2
439.16055	100.0
440.16342	6.1
457.17084	3.4
458.17477	0.8
467.15488	0.9
481.17386	0.9
499.19180	0.7
501.19312	0.4
512.41010	0.3
517.20758	11.2
518.21149	3.6
519.21362	1.9
535.22113	0.7
558.18079	0.4
559.21326	2.0
560.21832	0.6
561.22015	0.7
569.20270	13.2
570.20807	1.0
577.22827	5.2
578.23291	1.4
579.23761	1.4
601.21472	0.9
603.20905	1.3
619.22021	2.2
727.30103	0.9
747.28430	0.6
749.26526	40.5
750.26703	4.5
777.26538	0.5
785.32617	2.4
821.31335	0.6
851.34967	0.8
909.34564	0.6
913.31689	1.7
914.32391	0.5
915.31818	1.0
927.36835	0.7
1015.38245	3.2
1057.37976	0.5
1089.40247	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	1089.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07087	1.3
82.09574	0.3
82.14307	0.3
83.01388	2.7
83.05027	1.5
85.02955	3.2
87.00872	0.7
88.98746	0.3
89.02443	2.7
92.37172	0.3
93.03470	0.8
95.01384	2.2
95.05017	1.1
99.04532	0.6
99.08174	1.3
101.02435	4.6
105.03516	0.3
109.06593	5.6
113.02448	9.5
115.05533	1.5
117.03505	0.4
118.98064	0.4
119.03500	2.7
119.04956	1.9
121.02981	0.7
123.04521	17.6
124.04887	0.4
125.02435	0.8
127.00375	2.0
127.07646	37.6
128.07956	0.8
129.05565	2.4
131.05023	2.6
133.06593	2.1
134.06128	1.1
136.07668	0.4
138.03223	7.6
143.03461	1.0
145.06602	0.6
147.04515	18.7
147.08157	0.4
148.04897	0.8
149.02451	0.4
151.00348	0.7
153.05566	98.0
154.05899	1.9
157.01266	0.4
161.04561	5.4
161.06078	13.4
161.13351	2.6
162.06467	0.5
162.13731	0.6
163.03972	1.6
171.06618	27.4
172.06938	0.6
179.05583	2.4
187.11287	0.8
189.05563	7.8
189.07639	2.5
190.10666	0.3
193.05090	0.4
204.06358	0.4
205.12325	6.8
206.12675	1.2
207.10341	0.4
219.06606	0.9
221.06598	0.5
223.13461	0.7
237.07651	1.3
249.07692	1.0
249.11293	3.5
250.11580	0.6
267.11557	0.5
285.09708	1.1
309.09885	3.1
309.13150	0.6
386.14725	0.6
401.17245	0.4
409.18942	0.5
421.14886	2.2
439.16055	100.0
440.16342	6.1
457.17084	3.4
458.17477	0.8
467.15488	0.9
481.17386	0.9
499.19180	0.7
501.19312	0.4
512.41010	0.3
517.20758	11.2
518.21149	3.6
519.21362	1.9
535.22113	0.7
558.18079	0.4
559.21326	2.0
560.21832	0.6
561.22015	0.7
569.20270	13.2
570.20807	1.0
577.22827	5.2
578.23291	1.4
579.23761	1.4
601.21472	0.9
603.20905	1.3
619.22021	2.2
727.30103	0.9
747.28430	0.6
749.26526	40.5
750.26703	4.5
777.26538	0.5
785.32617	2.4
821.31335	0.6
851.34967	0.8
909.34564	0.6
913.31689	1.7
914.32391	0.5
915.31818	1.0
927.36835	0.7
1015.38245	3.2
1057.37976	0.5
1089.40247	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	1091.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
78.35718	0.0
83.05006	0.1
85.02953	0.2
95.01405	0.0
97.06586	0.1
101.02441	0.2
113.02457	0.2
123.04499	0.1
127.07639	0.1
161.04565	0.4
205.19576	0.1
233.22893	0.3
233.24777	0.0
259.20590	0.3
275.20038	0.3
277.21689	100.0
278.22025	4.0
439.26956	0.9
440.27090	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	1096.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
80.24360	2.8
89.02439	4.4
99.08149	8.8
101.02461	6.2
101.20000	2.8
113.02442	6.2
115.00356	3.6
117.03451	8.3
119.05035	16.4
121.00128	2.5
123.04535	47.2
124.04863	3.4
127.07658	26.4
129.05594	37.2
133.01430	9.1
134.03705	4.5
138.03253	3.2
145.02957	39.4
151.00235	3.1
153.05571	44.0
161.04524	5.9
161.05977	2.7
163.04022	11.6
165.01900	3.4
171.06659	13.5
179.05495	3.1
193.05109	3.6
221.06639	3.8
259.76236	2.9
265.07040	3.1
283.02365	3.4
285.09927	3.1
307.08231	24.3
328.19977	2.8
389.16580	3.0
431.13403	53.0
439.16022	41.3
457.17148	94.3
458.17328	10.7
543.18744	13.1
603.20905	42.1
619.22333	35.0
765.26117	63.5
871.30261	100.0
872.31067	10.8
1033.35120	4.9
1096.35876	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	1097.639
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02937	0.2
89.02424	0.2
101.02433	0.5
113.02433	0.2
115.00391	0.3
119.05021	0.3
123.04491	0.5
127.07634	0.5
133.01427	0.2
135.04445	0.2
147.04494	0.2
149.06030	0.2
151.03883	0.2
153.05573	0.5
163.03955	0.2
169.06584	2.1
171.04486	1.2
185.06039	2.4
189.05557	0.2
196.05246	0.5
199.03963	0.8
205.12260	0.2
211.03926	0.2
213.05553	18.5
214.05959	0.6
224.04695	0.9
225.05545	0.6
226.06279	0.4
227.07050	0.8
239.07222	0.9
240.04280	0.5
241.05040	100.0
242.05490	3.8
253.05092	0.3
254.05806	1.0
255.06613	1.9
256.07385	56.4
257.07874	3.0
309.13324	0.3
327.08771	0.4
351.12936	0.4
369.00040	0.1
387.10797	0.2
417.21100	0.2
419.13431	89.2
420.13770	4.5
439.16110	0.2
440.03214	0.2
457.17618	0.2
677.49609	0.5
1097.36963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.7
81.33851	0.3
83.01384	14.7
83.05041	0.5
84.01726	0.3
85.02943	5.2
85.10023	0.3
87.00881	0.8
89.02451	0.8
91.05589	0.3
93.03452	0.4
94.70919	0.3
95.01385	0.9
97.02955	2.4
99.00875	1.6
99.04517	0.7
99.07669	0.4
99.08155	11.2
101.02439	25.9
101.06079	1.2
103.05545	0.9
111.00883	0.5
113.02442	8.2
115.05532	7.1
117.03455	3.9
119.05017	2.8
123.04549	1.4
125.02442	5.8
127.07649	17.9
128.08020	0.3
129.05576	34.9
130.05890	0.7
131.03476	1.0
131.05023	15.2
133.06593	14.4
143.03493	7.8
143.04971	1.2
145.06618	1.4
147.04515	73.7
148.04868	1.8
153.00128	0.7
153.05566	11.4
154.05917	0.4
155.03485	4.5
159.02963	0.6
159.04463	0.6
161.04590	6.0
161.06052	35.9
162.05070	0.3
162.06430	1.1
163.07613	0.4
171.04500	0.8
171.06622	2.9
173.06044	1.1
175.07645	1.0
189.05563	43.1
190.05867	1.5
191.07135	1.1
201.05525	0.9
203.05609	8.8
203.07494	0.5
207.06628	0.4
219.06581	2.7
231.06651	0.7
263.11319	1.7
274.64157	0.3
291.08258	0.5
291.11237	0.5
351.10843	0.8
381.90103	0.3
395.13232	0.3
397.13651	0.3
417.17596	2.5
435.18671	100.0
436.18961	6.3
437.19315	0.3
1017.86139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
78.22864	0.2
83.01379	2.0
83.95809	0.2
85.02947	5.4
89.02435	0.3
95.01377	0.7
95.05036	0.8
99.00881	1.8
99.08157	13.8
100.08500	0.4
101.02436	7.3
105.03470	0.6
109.06626	0.5
113.02455	4.6
121.02979	0.7
123.04523	34.9
124.04863	0.6
126.71317	0.3
127.07650	21.1
127.11324	0.3
128.07986	0.4
129.05577	15.2
129.10336	0.6
138.03247	0.7
143.03476	0.4
153.05569	16.4
154.05910	0.4
159.02988	1.2
161.04552	5.8
168.29327	0.2
171.06648	3.7
171.11377	0.5
171.97997	0.3
189.07652	1.3
205.03510	0.4
285.09805	3.7
289.16559	15.2
290.16980	0.7
331.17590	10.3
332.17841	0.6
375.15948	0.6
376.18652	0.9
457.17126	100.0
458.17450	7.4
507.30194	0.3
531.54895	0.3
803.04047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07092	2.2
83.01384	0.3
83.05021	1.5
85.02937	3.4
87.00855	0.3
88.98777	0.4
89.02444	2.1
93.03449	0.7
94.04237	0.4
95.01371	1.9
95.05029	0.7
99.08157	0.8
101.02432	3.6
103.05462	0.2
109.06583	6.1
113.02444	6.9
115.05577	1.3
117.03498	0.6
119.03502	2.5
119.05018	0.8
121.02979	0.4
123.04520	15.2
124.04832	0.5
125.02401	0.3
125.06059	0.3
126.90395	0.2
127.07646	39.0
128.07974	1.0
129.05574	1.3
131.03508	0.4
131.05035	2.6
133.06595	1.9
138.03220	7.2
143.03499	1.0
143.04990	0.3
145.06583	0.4
147.04510	20.9
148.04855	0.6
149.50002	0.2
153.05565	100.0
154.05901	2.3
161.04561	3.9
161.06075	13.1
162.06410	0.3
163.03981	0.5
171.06618	25.1
172.07016	0.5
179.05585	2.6
189.05556	7.9
201.05467	0.5
203.10933	0.3
219.06607	1.4
233.11806	0.3
237.07571	1.2
249.07663	1.2
268.31451	0.3
309.09845	2.4
327.10971	0.5
421.14981	4.0
422.15430	0.3
435.18552	0.4
439.16055	34.2
440.16394	2.1
441.16290	0.3
457.16980	1.0
458.17203	0.7
459.17575	0.5
463.16080	1.7
463.45291	0.3
475.16049	0.3
481.17099	72.0
482.17371	5.0
503.67706	0.3
569.20313	6.1
570.20587	0.4
611.21368	5.2
612.21948	0.8
643.23553	0.3
661.23505	0.8
749.26544	7.8
750.27222	1.0
791.27631	15.2
792.28217	2.1
835.46820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02966	0.2
87.00878	0.5
88.00397	0.4
88.98800	100.0
89.02463	0.4
89.13420	0.2
89.99124	0.4
96.71806	0.3
101.02451	0.4
109.06594	0.3
113.02436	0.5
114.75720	0.2
119.05101	0.3
123.04509	1.5
127.07648	2.0
138.03181	0.3
147.04495	0.9
151.08644	0.2
153.05568	4.6
154.05898	0.3
161.04652	0.2
161.06059	0.4
171.06619	1.6
175.55495	0.2
179.05534	0.3
189.05539	0.4
212.97961	0.2
275.71039	0.2
405.56009	0.2
439.16025	5.6
440.16269	1.2
441.16934	0.3
457.17264	0.4
460.59830	0.2
569.20026	0.6
570.20203	0.4
749.26581	3.0
750.26965	0.9
751.26233	0.3
966.47943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	0.2
87.00879	0.7
88.00402	0.2
88.98803	100.0
89.02438	0.6
89.99136	0.5
98.19909	0.3
101.02442	0.2
113.02423	0.3
119.03538	0.2
123.04512	1.1
127.07649	2.1
128.07957	0.2
129.05548	0.1
131.04945	0.1
138.03203	0.5
141.62604	0.2
147.04532	1.0
147.95316	0.2
151.71709	0.1
153.05573	6.5
154.05919	0.4
159.72836	0.1
161.04706	0.3
161.06062	0.8
162.25667	0.1
163.39127	0.1
171.06610	1.9
179.05580	0.2
189.05545	0.3
191.54414	0.1
297.48648	0.2
309.09793	0.3
381.33438	0.2
439.16068	5.8
440.16409	1.2
441.16803	0.3
481.16559	0.2
569.20758	0.8
749.26508	3.8
750.26910	1.0
751.28015	0.7
779.94141	0.2
907.05762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
85.19641	0.2
87.00880	0.3
88.98802	100.0
89.99131	0.6
95.14067	0.2
98.19995	0.3
109.06528	0.2
117.17907	0.2
119.54907	0.2
120.64880	0.2
123.04496	0.9
127.07635	1.7
129.14674	0.2
138.03233	0.4
147.04482	1.4
152.45641	0.2
153.05571	4.8
161.04631	0.2
161.06064	0.7
163.50595	0.2
171.06628	1.7
189.05580	0.3
220.51895	0.2
250.97800	0.2
309.09933	0.2
321.81076	0.2
439.16025	4.4
440.16803	1.0
441.16406	0.3
457.17676	0.2
545.20422	0.2
624.36194	0.2
644.63495	0.2
732.64673	0.2
749.26544	3.0
750.27466	0.8
751.28052	0.2
1049.15027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02946	0.2
87.00872	0.6
88.00394	0.2
88.98803	100.0
89.02446	0.5
89.99126	0.4
94.87372	0.2
99.08198	0.2
101.02455	0.2
109.06576	0.3
113.02451	0.5
119.04964	0.3
123.04541	1.4
127.07658	2.0
129.05559	0.3
138.03236	0.5
147.04536	1.2
148.84166	0.2
153.05574	4.6
154.05881	0.3
161.04596	0.4
161.06071	0.4
171.06651	1.3
439.16006	5.0
439.21860	0.3
440.16116	1.1
441.16733	0.2
457.17313	0.5
459.41922	0.3
569.20245	0.5
749.26666	2.1
750.26886	0.7
751.28113	0.3
1088.42529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45942	2.1
55.01875	15.3
67.01893	71.7
68.02228	3.3
70.44745	8.2
71.01393	3.5
71.45123	2.0
78.95904	18.1
79.95743	4.6
83.01394	33.8
84.04551	10.8
84.36284	2.3
104.95171	2.3
110.97591	14.2
111.00886	100.0
112.01200	6.2
112.04031	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01880	26.8
57.96835	3.0
63.24557	2.8
67.01891	76.5
67.86686	2.9
68.16226	3.0
71.01385	7.7
71.06471	6.8
75.78928	3.0
78.31669	2.6
78.38488	3.1
78.95912	39.7
83.01391	64.8
84.01731	3.5
90.96868	3.5
111.00885	100.0
112.01276	3.5
116.68501	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	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.1
63.53398	1.0
67.01891	78.0
68.02219	2.4
70.39386	2.4
70.39784	2.4
71.01360	2.6
74.55838	1.2
78.95903	10.4
79.95731	2.0
83.01384	36.0
84.01714	1.5
84.04564	1.9
103.63547	1.1
110.97594	2.2
111.00879	100.0
112.01199	5.0
112.04009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.6173
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	77.6
86.32021	0.2
95.14527	0.2
95.46795	0.2
96.96958	5.5
108.71126	0.2
150.98009	2.4
152.99573	100.0
153.99902	0.8
162.96426	0.2
171.00621	2.3
179.76602	0.2
193.16910	0.2
221.89462	0.2
231.39244	0.2
277.21689	1.5
347.47562	0.2
397.13568	0.2
400.79065	0.3
431.21973	59.4
432.22397	3.2
614.58630	0.3
894.94873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	14.1
96.95978	2.6
99.08162	17.5
100.08492	3.2
101.02450	4.9
113.02431	9.0
119.05027	2.8
123.04514	26.7
124.04827	3.2
125.02405	4.8
127.00386	13.1
127.07653	26.5
128.07974	3.3
129.05573	66.4
130.05901	5.0
150.05634	3.0
151.00322	7.5
153.05553	11.0
161.04536	10.0
161.13307	8.8
163.03984	6.4
171.06609	5.2
189.07672	100.0
190.07982	10.1
193.04967	3.3
194.10609	2.4
205.12308	12.9
205.56850	2.6
221.06665	33.9
223.13356	7.9
241.06020	3.4
248.03397	2.7
249.11183	7.6
256.05948	3.3
257.09241	4.4
259.07166	3.4
267.11847	2.7
283.10623	2.8
293.09390	3.9
311.10269	8.5
313.08188	3.5
315.29584	2.6
329.11130	5.0
348.39142	2.8
355.09290	2.8
371.09613	17.1
382.27786	2.8
403.80670	2.7
409.18622	3.5
439.15964	5.7
457.16971	9.3
499.19940	3.0
517.13702	3.4
517.20837	42.3
535.21820	67.9
536.22644	6.7
559.22009	15.6
577.22833	29.8
603.20569	7.6
636.23187	2.8
889.31543	15.7
913.31171	25.6
955.31921	5.0
1081.36584	4.3
1082.37231	26.8
1114.39648	34.6
1115.37866	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	1114.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	16.3
83.05035	2.7
83.85896	2.6
85.02938	5.9
89.02449	4.1
98.20056	4.0
99.04482	2.8
99.08159	17.8
101.02415	9.5
113.02441	11.6
118.61642	2.3
119.04977	4.4
123.04500	25.1
124.04790	2.6
125.02401	6.4
127.00371	28.4
127.07638	27.5
128.07927	2.4
129.05579	54.8
130.05884	3.2
151.00415	11.8
153.05562	14.0
157.01372	3.0
161.04506	8.3
161.13347	13.6
163.03987	7.1
169.01430	4.2
171.06587	6.5
172.06837	2.6
189.07671	74.8
190.07970	7.4
193.04924	2.9
205.12314	21.4
207.10103	2.7
221.06642	44.2
223.13400	11.6
249.11372	16.6
258.06268	2.8
267.12292	4.1
281.09268	2.7
283.07217	3.9
283.10434	3.4
293.09341	2.8
295.07147	2.8
311.10287	11.0
312.10577	4.1
355.09134	3.9
371.09753	16.2
409.17899	2.6
439.16071	4.1
457.17020	8.7
458.17535	5.3
499.19406	4.6
517.20770	74.5
518.20929	3.4
527.91559	2.7
535.21790	100.0
536.22076	8.2
549.17017	5.5
559.21838	21.2
577.22736	52.8
578.23151	4.5
603.21014	15.6
645.21179	3.7
765.25092	3.2
889.31494	16.9
913.31250	45.9
914.31305	8.4
943.32294	5.4
955.32031	8.9
1081.36621	2.8
1082.36682	26.1
1083.35840	3.3
1114.39404	37.9
1115.37341	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	1115.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
77.28768	0.1
91.51647	0.1
91.65791	0.1
123.04530	0.3
127.07697	0.2
129.05562	0.1
141.07063	0.1
149.11418	0.1
153.05515	0.1
155.08603	0.1
159.08116	0.9
167.04982	0.1
168.05815	0.7
169.06552	1.1
180.05829	0.1
181.06575	1.9
182.07346	2.6
183.08130	17.3
184.08472	0.6
185.06056	3.2
186.06483	0.1
195.08061	0.1
196.05299	0.1
197.06050	1.8
198.06842	6.8
199.07481	0.4
207.04459	0.1
209.06061	0.3
211.07750	0.1
223.07587	0.1
225.05569	3.2
225.09004	0.1
226.06343	32.6
227.07109	79.0
228.07451	3.2
239.07025	0.5
240.07773	0.1
241.08665	0.4
251.07072	1.8
267.06702	0.1
269.08191	3.9
270.08612	0.2
277.88593	0.1
281.08063	0.1
299.09317	0.2
311.09598	0.1
389.12390	100.0
390.12714	5.8
457.17200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
78.61185	2.2
80.57212	2.3
83.01392	3.4
85.02946	5.2
89.02453	3.4
91.86563	2.3
95.05065	2.7
98.20609	4.3
99.08173	9.5
101.02441	9.3
104.17199	2.2
109.06570	4.5
113.02443	5.3
119.04994	4.1
123.04527	38.4
125.02452	3.8
127.07656	40.4
129.05589	8.7
138.03224	7.2
147.04535	13.4
151.00296	3.5
153.05579	100.0
154.05963	3.3
161.04649	3.0
161.06061	5.9
163.04018	2.8
171.06631	27.6
189.05600	4.0
193.05026	2.3
243.99165	2.6
247.28279	2.5
249.11357	2.5
279.69583	2.5
375.00284	2.3
392.53854	2.7
421.15121	2.6
439.16129	78.9
440.16455	5.5
457.11096	3.1
457.17096	18.5
458.17282	3.4
481.17072	4.7
499.18491	3.0
517.20892	5.5
569.20612	16.5
791.27863	29.8
957.36890	5.6
1119.58374	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	1121.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
81.32879	0.1
83.05032	0.5
85.02957	0.3
85.06609	0.1
91.18140	0.1
95.05010	0.1
98.20644	0.3
99.08153	14.5
100.08514	0.2
101.06080	0.3
111.04470	0.1
123.04523	2.1
127.07648	17.0
128.08018	0.3
129.05576	54.8
130.05901	1.0
134.03769	0.2
143.07133	0.3
145.08701	2.2
153.05580	1.1
167.81891	0.1
171.06613	3.8
171.08093	0.2
189.07671	100.0
190.07997	2.3
193.05022	0.3
201.71895	0.1
213.02699	0.1
224.62570	0.1
275.16910	0.1
292.43774	0.1
306.12701	0.1
327.10828	0.1
394.82501	0.1
438.44296	0.1
439.16183	0.2
457.17075	1.2
499.18188	1.3
557.22241	0.7
885.70728	0.1
990.57037	0.1
1057.12878	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	1122.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
90.98679	3.0
101.02467	6.5
119.68407	3.7
123.04530	11.5
127.07662	18.5
147.04518	8.5
153.05580	54.5
171.06606	15.4
202.33472	3.9
285.46100	4.2
301.79968	4.0
421.15063	3.8
439.16119	100.0
569.20111	10.6
749.25873	4.5
765.20544	3.9
791.27692	53.6
1053.33533	5.2
1122.36487	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	1123.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
77.87303	0.1
83.01385	0.2
84.91024	0.1
85.02946	0.7
87.00909	0.1
89.02443	3.0
95.01384	0.4
99.08153	0.4
101.01796	0.2
101.02435	2.1
113.02446	1.4
113.03172	0.1
119.03494	1.3
125.66290	0.1
127.07648	78.7
128.07988	1.6
129.05624	0.2
131.03510	0.2
143.03476	0.2
145.08714	0.9
153.05557	0.3
161.04529	0.3
171.06619	50.6
172.06981	1.2
179.05612	1.1
227.03487	0.1
255.02963	0.3
283.02341	0.2
284.03296	0.2
285.03970	1.1
286.03983	0.1
307.14001	0.9
351.12930	100.0
352.13257	4.2
609.14447	0.9
610.14331	0.1
771.19354	0.2
911.51624	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	1125.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	12.2
96.96961	1.1
150.97964	0.4
152.99577	18.4
171.00671	1.3
211.02299	0.2
227.03271	3.1
237.22211	0.2
245.04303	1.5
255.23270	100.0
256.23602	4.2
483.27252	61.1
484.27600	4.0
599.76947	0.2
795.22577	0.3
1125.50452	10.6
1126.50696	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	1132.6759
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	18.9
94.96053	0.1
104.97433	0.2
122.00129	0.8
122.98543	0.2
124.01616	0.1
134.98540	0.2
140.00102	0.2
140.01187	4.8
152.99571	1.6
166.02646	0.2
175.97989	0.1
196.03781	8.7
196.42978	0.1
214.04845	1.9
230.91171	0.1
237.22334	0.3
255.23270	100.0
256.23596	4.8
270.83905	0.1
275.54843	0.1
356.19168	0.1
391.22684	0.1
452.27789	79.9
453.28156	4.8
1132.58154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6729
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.1
83.01405	0.2
83.05013	0.5
84.28077	0.1
85.02945	0.6
87.00922	0.1
89.02437	2.1
93.03451	0.2
95.01403	0.2
95.05042	0.1
99.08157	3.0
101.02441	1.7
105.03487	0.1
109.06602	0.2
113.02449	1.2
119.03491	0.9
123.04519	5.4
124.04832	0.1
127.07645	73.1
128.07968	1.5
129.05573	3.4
138.03154	0.2
143.03561	0.1
145.08694	0.7
149.04567	0.1
153.04312	0.2
153.05563	3.8
154.05815	0.1
161.04572	0.6
171.06615	48.3
172.06984	1.0
179.05582	0.3
189.07698	0.3
207.14897	0.1
225.16103	0.5
285.09796	1.1
307.13965	0.9
308.14459	0.1
351.12918	100.0
352.13251	3.9
413.21790	0.1
415.69824	0.1
439.15604	0.1
451.32852	0.4
457.17114	9.8
458.17450	0.6
659.48346	0.1
677.49689	4.9
678.50104	0.6
687.32550	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	1141.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01414	0.2
85.02945	1.1
89.02427	0.3
93.03455	1.8
95.05031	2.5
96.99312	6.7
97.97638	0.2
99.00900	1.1
101.02438	1.3
101.02992	0.2
105.03449	0.8
113.02469	1.2
113.67171	0.2
115.00373	98.7
116.00690	0.9
117.03473	2.2
119.05027	25.2
120.05351	0.6
121.02955	1.8
123.04524	79.7
124.04843	1.5
127.07648	0.2
131.05028	0.3
133.01433	4.0
143.05040	0.6
145.02953	3.9
149.02428	0.8
159.02980	0.4
159.04317	0.2
161.04570	3.2
163.04007	21.6
164.04364	0.8
177.05544	0.3
211.07599	0.4
217.03514	0.2
233.08807	0.2
237.09114	0.6
265.08633	0.3
269.08148	0.8
277.05655	2.6
279.05084	4.1
283.09711	0.8
285.09808	2.1
304.57849	0.2
309.07718	0.3
324.69653	0.2
325.09305	3.8
326.09802	0.4
327.08701	6.1
328.09097	0.7
331.52075	0.2
383.09808	100.0
384.10156	4.8
401.10864	42.2
402.11191	1.9
431.13446	3.5
432.13791	0.3
436.83743	0.2
529.13202	0.2
547.14557	42.8
548.15002	3.2
711.19299	1.6
712.18915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07098	1.5
83.01404	0.4
83.05033	1.3
85.02934	1.1
87.00891	0.3
89.02448	1.0
93.03454	0.5
93.39900	0.2
94.04231	0.9
94.64457	0.2
95.01374	0.5
95.05025	0.8
97.02937	0.6
99.00890	0.3
101.02444	2.6
103.05539	0.8
105.03466	0.3
109.06594	6.3
111.00887	1.2
113.02454	2.3
113.38272	0.2
115.05534	2.7
117.03492	0.8
119.03511	1.0
119.05053	0.6
121.02962	0.7
123.04530	19.1
124.04861	0.4
125.02482	0.4
125.06060	0.3
127.07655	41.5
128.08008	0.9
131.05026	5.0
133.06601	3.0
138.03235	8.7
143.03516	1.6
143.05026	0.8
145.06596	0.9
147.04524	30.6
148.04831	0.8
153.05576	100.0
154.05919	2.4
159.04474	0.3
161.04617	2.3
161.06065	22.3
162.06447	0.5
162.84212	0.2
171.06628	26.7
172.07004	0.5
173.06052	0.5
175.07628	0.5
179.05692	1.0
187.11229	0.3
189.05571	11.1
190.05963	0.3
191.07140	0.3
201.05571	0.3
205.10245	0.4
213.07607	0.3
219.06602	0.8
231.06613	0.4
233.09721	3.1
237.07657	0.6
238.55667	0.2
243.06561	0.7
249.07671	1.5
251.10648	0.4
263.10809	0.4
277.08685	1.3
285.09641	1.2
291.08871	1.4
292.09219	0.2
295.09818	3.1
309.09753	0.9
319.09512	1.1
325.33279	0.2
333.11862	0.5
337.10852	1.2
349.10837	0.7
367.11911	0.4
379.11844	0.6
397.12769	0.3
421.15063	7.6
422.15305	0.4
433.14990	0.8
439.16089	83.4
440.16379	5.1
481.16345	0.4
545.18762	0.3
551.19153	0.4
563.19165	5.3
564.19464	0.5
569.20282	22.9
570.20532	1.9
601.21069	0.5
605.20087	1.0
611.20923	1.1
660.95685	0.2
665.22693	0.4
699.24677	2.5
700.24316	0.3
717.25732	1.0
731.25269	0.8
732.25507	0.3
749.26208	1.5
759.25964	0.4
861.29486	1.0
879.30713	13.8
880.31012	2.0
967.34991	0.4
985.35211	2.3
986.36017	0.4
1147.40234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07111	1.4
83.05028	1.1
83.31464	0.2
85.02934	0.7
89.02470	0.6
90.07248	0.2
91.05536	0.3
93.03461	0.6
94.04254	0.8
95.01392	0.3
95.05019	0.6
99.00883	0.2
101.02436	1.4
101.03960	0.3
103.05537	0.6
109.06588	5.9
113.02460	2.2
115.05545	2.3
117.03448	0.6
119.03506	1.1
119.05009	0.8
121.02962	0.6
123.04530	14.0
125.02417	0.4
125.06089	0.3
127.07656	36.9
128.07997	0.7
131.05031	5.7
132.05365	0.2
133.06595	2.7
134.66008	0.2
138.03229	8.6
139.03635	0.2
143.03551	1.0
143.04996	0.7
145.06625	1.1
147.04526	36.9
148.04839	0.9
149.02501	0.2
153.05579	100.0
153.25670	0.2
154.05931	2.6
159.04474	0.3
161.04625	1.9
161.06073	25.0
162.06429	0.7
163.07634	0.2
171.06630	22.9
172.06973	0.9
173.06050	0.4
175.07620	0.3
179.05603	0.7
180.70485	0.2
189.05571	12.2
190.06004	0.4
201.05592	0.5
215.07191	0.3
219.06609	1.2
233.11830	0.2
237.07793	0.3
243.06575	0.7
249.07706	1.5
285.09802	0.7
291.08716	3.4
309.09766	1.4
333.11743	0.3
379.11957	0.3
421.15063	6.1
422.15674	0.3
433.15134	0.6
439.16089	84.9
440.16443	5.3
463.16248	0.5
473.82916	0.2
551.19318	0.6
569.20270	25.6
570.20569	2.7
611.21667	1.2
699.24274	1.1
731.25690	1.2
749.26495	2.4
750.27460	0.3
851.36615	0.2
879.30786	15.9
880.30823	2.4
917.41223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.2
81.07088	1.6
83.01414	0.3
83.05029	1.5
85.02942	2.1
86.09929	0.1
87.00883	0.2
89.02440	2.5
89.02950	0.2
93.03471	0.5
94.04243	0.6
95.01401	0.8
95.05013	0.7
96.95974	0.2
96.99313	0.2
97.02905	0.2
99.08173	0.2
101.02442	3.2
103.05547	0.4
103.08929	0.1
107.05077	0.2
108.02203	0.1
109.06586	5.6
113.02449	4.7
113.03252	0.2
114.02762	0.2
115.05532	2.0
117.03470	0.6
119.03506	2.0
119.05029	0.6
121.02966	0.6
123.04523	14.7
124.04856	0.3
125.02451	0.3
125.06084	0.3
127.07650	39.7
128.08020	1.0
129.05574	0.4
131.03499	0.2
131.05023	3.6
133.06581	1.9
138.03226	9.0
139.03580	0.2
143.03510	0.7
143.04976	0.4
145.06573	0.7
147.04518	26.4
148.04935	0.7
149.02451	0.2
153.05569	100.0
154.05893	2.5
155.07158	0.3
161.04575	3.8
161.06079	14.4
162.06371	0.3
163.69698	0.2
171.06619	19.5
172.06969	0.2
173.06105	0.3
175.07642	0.4
179.05611	2.3
187.11252	0.3
189.05559	6.8
190.06120	0.2
191.07204	0.2
191.79182	0.2
195.06543	0.2
201.05580	0.4
205.10262	0.2
219.06564	0.9
228.70273	0.2
233.09706	1.5
233.11775	0.3
237.07745	0.9
249.07567	1.1
277.08676	0.4
285.09668	0.3
291.08624	0.3
295.09766	1.4
309.09793	2.3
333.11835	0.2
337.10855	0.4
415.13940	0.2
421.15027	10.0
422.15326	0.6
425.72763	0.2
439.16071	32.7
440.16287	2.0
457.17307	0.7
463.15955	0.2
481.16992	0.6
551.19348	2.4
552.19513	0.3
563.19092	2.2
569.20221	69.7
570.20587	5.8
601.21851	0.2
605.19952	0.2
699.24463	5.6
700.25024	0.6
717.25433	0.5
731.25208	0.8
732.26538	0.2
749.26532	6.6
750.26489	0.8
793.26221	0.3
793.43719	0.2
861.29944	0.5
879.30707	9.3
880.30481	1.4
893.09241	0.2
967.34351	0.3
985.35016	1.0
986.35980	0.2
1147.42712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07097	1.5
83.05026	1.9
85.02963	1.4
89.02441	7.0
89.02953	0.6
93.03455	0.8
94.04235	0.5
95.01393	0.9
95.05031	0.9
101.02437	4.6
105.43039	0.4
109.06588	6.3
113.02467	3.3
119.03519	3.5
121.02946	0.3
121.81849	0.3
123.04522	17.7
124.04869	0.4
125.06062	0.6
127.07651	39.3
128.08002	0.7
138.03224	8.9
143.03516	1.0
153.05571	100.0
154.05904	2.9
157.00903	0.3
161.04538	1.8
171.06622	21.2
172.06950	0.4
179.05606	10.8
187.11290	0.4
209.11781	0.4
259.13525	0.4
276.20877	0.4
277.21658	2.4
314.13141	0.4
333.11905	0.8
351.13174	0.7
375.51981	0.3
421.15067	3.5
439.16077	27.8
440.16473	2.1
487.32504	0.4
545.31213	0.4
619.22327	11.0
620.22937	0.6
699.37451	89.6
700.37726	11.6
879.43817	16.0
880.43915	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14127	2.8
59.01392	2.8
70.20370	8.1
71.01385	100.0
72.01730	4.9
79.62583	2.7
108.21808	2.5
114.93430	3.6
115.00368	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
55.54627	1.7
69.88147	9.6
69.88448	3.4
71.01377	100.0
72.01717	2.8
79.23287	1.6
80.46427	1.6
87.00875	2.3
98.20554	2.8
115.00363	10.3
116.07135	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	115.0037
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
52.47171	5.9
53.82097	5.6
54.54520	5.7
59.01359	26.1
71.01379	72.9
71.19394	11.4
72.59025	5.4
87.00874	100.0
97.93124	22.3
114.93409	44.0
114.99583	5.9
115.00362	97.3
116.05044	8.2
116.07198	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	1150.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04996	0.3
96.96943	0.2
98.09267	0.1
101.35782	0.1
102.29002	0.1
122.00122	0.3
127.07626	0.2
137.72008	0.1
140.01192	2.4
147.06706	0.1
152.99594	0.9
171.00677	0.3
196.03783	1.1
214.04860	3.2
214.11928	0.1
215.05455	0.1
233.22708	0.4
259.20615	0.6
275.20078	0.5
277.21695	100.0
278.22037	4.7
474.26212	56.9
475.26526	3.5
637.81689	0.1
704.95966	0.1
1131.07666	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	1157.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07086	0.4
82.98112	0.3
83.01390	1.8
83.05029	0.9
83.33638	0.3
84.02158	0.4
85.02948	4.5
87.00884	1.2
89.02441	1.0
93.03441	0.5
95.01385	0.8
95.05051	0.7
98.32300	0.3
99.00880	1.5
99.03893	0.6
99.04500	3.4
99.08137	0.4
101.02437	6.9
107.05009	1.1
111.04502	0.6
113.02456	6.2
119.03519	1.2
119.04981	0.5
123.04520	5.3
125.02449	0.4
125.06062	0.4
127.07658	0.6
129.05634	0.4
135.04428	0.4
135.11824	1.3
143.03476	1.3
150.05769	0.4
150.06812	2.1
153.05566	1.2
159.03000	1.3
161.04550	19.4
161.09744	1.6
161.13354	31.4
162.13724	1.0
163.03934	0.4
163.11298	3.2
177.12971	0.4
177.20642	0.4
179.10785	0.5
187.11285	5.6
189.09229	0.8
205.03607	0.5
205.12318	49.5
206.12650	2.5
207.10274	5.2
221.06648	58.2
222.06966	1.2
223.13380	23.2
224.13788	0.5
229.12335	0.5
231.10187	1.0
249.11302	31.5
250.11710	1.2
265.14395	0.4
267.12335	8.5
291.12503	1.0
309.13440	3.4
327.10645	0.7
355.15482	0.4
367.17673	3.4
371.09802	15.0
372.09946	0.4
393.15521	0.8
409.18658	1.4
411.16553	0.7
427.19650	0.7
429.17450	0.4
439.16183	0.7
453.17615	0.8
457.17136	1.0
482.66647	0.4
497.16959	0.6
499.19745	2.1
517.20758	66.6
518.21045	5.7
533.23804	0.7
535.21814	92.7
536.22223	7.6
559.21844	8.4
560.22168	0.7
577.22870	100.0
578.23273	7.1
603.20776	7.2
621.21802	3.4
785.30048	1.6
845.32574	0.5
889.31317	48.7
890.31647	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	1157.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
80.98856	0.2
81.03444	0.4
81.07101	0.4
81.83116	0.2
83.01379	1.6
83.05019	1.1
85.02944	6.1
86.16513	0.2
87.00877	0.8
89.02427	1.3
93.03468	0.3
93.07082	0.3
95.01400	1.0
95.05033	0.7
96.96004	0.4
97.02950	0.6
97.06569	0.3
99.00872	1.8
99.04514	2.8
101.02442	9.3
103.00407	0.2
105.07101	0.3
107.05032	0.9
111.04517	1.6
113.02447	8.6
113.06072	0.8
119.03503	1.2
119.05001	0.4
120.05801	0.5
121.02958	0.4
123.04521	6.7
125.02472	0.7
125.06109	0.6
127.07658	0.9
129.01956	0.3
129.05571	0.4
129.07129	0.2
131.03532	0.3
135.04512	0.5
135.11819	1.2
143.03502	1.6
145.10165	0.5
147.08069	0.2
149.04527	0.5
150.06816	1.1
153.05565	0.9
159.02980	2.0
159.08076	0.4
159.11786	0.4
161.04549	28.8
161.09721	2.1
161.13353	24.9
161.14790	0.4
162.04886	0.7
162.13708	1.0
163.04025	0.5
163.11275	3.0
169.10289	0.3
171.06673	0.3
171.08208	0.3
179.10712	0.5
187.11278	5.3
188.11642	0.2
189.09180	0.7
203.10721	0.7
203.14383	0.5
205.03534	0.8
205.12318	46.3
206.12694	1.5
207.10246	5.2
207.12190	0.4
208.10745	0.2
221.06645	91.2
222.06989	2.0
223.13376	22.2
224.13718	0.9
229.12352	0.5
231.10283	0.6
240.12747	0.2
247.13371	0.8
249.11302	33.9
250.11646	1.6
265.14377	0.3
267.12326	8.7
285.09836	0.4
291.12363	0.9
309.13458	1.7
327.10846	0.6
367.17538	2.4
367.42209	0.3
371.09799	14.7
372.10147	0.7
393.15536	1.3
409.18604	1.6
411.16336	1.3
429.17767	0.5
440.16718	0.3
453.17676	1.1
455.20782	0.3
457.16962	0.7
471.18201	0.3
497.16678	0.7
499.19598	2.2
517.20734	100.0
518.21130	6.7
533.23480	0.4
535.21808	72.5
536.22211	5.2
556.22089	0.3
559.21783	9.3
560.22357	0.9
577.22852	38.8
578.23132	2.6
603.20807	13.9
603.30750	0.5
604.21246	1.3
621.21924	1.1
765.27307	0.4
785.30115	0.9
871.30560	0.4
889.31238	25.1
890.31714	3.0
1025.40295	0.3
1115.05469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07076	0.6
83.05025	0.4
83.57426	0.2
85.02952	1.1
89.02438	2.7
92.99612	0.2
93.03453	0.8
94.04206	0.2
94.20760	0.2
95.01327	0.2
95.04994	0.3
96.99308	8.6
98.19942	0.2
101.02444	2.5
101.03962	0.5
103.05550	0.3
108.02182	0.2
109.06586	1.7
113.02465	1.5
115.05533	8.0
116.05884	0.3
117.03449	2.1
119.03520	1.2
119.05003	0.7
121.02958	0.5
123.04525	6.3
127.07653	10.3
128.07948	0.2
129.05545	0.2
131.05009	1.5
133.31537	0.2
134.03754	0.2
138.03214	2.1
140.15964	0.2
142.18556	0.2
142.51083	0.2
143.03438	0.5
145.06602	0.8
147.04515	10.4
148.04863	0.3
150.70712	0.2
153.05571	28.4
154.05865	0.7
159.71884	0.2
161.04539	0.6
161.06053	0.9
163.03963	0.2
171.04413	0.7
171.06630	8.2
171.08086	0.5
172.05318	0.4
172.06943	0.3
179.05600	2.7
189.05559	0.3
191.08710	1.0
193.04994	0.5
194.04839	0.2
203.08588	0.5
205.10213	5.3
206.10524	0.3
207.11765	1.0
217.10213	0.5
219.08147	0.2
231.08311	0.3
232.08836	0.2
233.09697	41.9
234.10005	2.3
235.11235	0.5
245.09744	1.4
247.07755	0.2
247.11244	0.6
249.09175	0.9
251.10719	0.9
263.10748	2.3
275.10776	0.5
277.08670	15.7
278.08926	1.0
291.10336	0.2
295.09732	100.0
296.10080	5.5
309.11383	0.7
319.09879	0.4
333.11661	0.3
337.10800	7.7
338.11249	0.4
349.10431	0.3
367.11884	3.1
397.12918	10.9
398.13187	0.7
439.16074	23.3
440.16553	1.5
457.14990	10.6
458.15588	0.6
481.17114	1.7
482.17181	0.3
532.01807	0.3
563.19305	1.9
619.22357	8.7
620.22156	0.6
712.33765	0.3
717.24573	0.3
749.26215	0.3
791.27307	0.2
879.30841	0.5
897.31781	6.6
898.32239	1.1
985.34039	1.5
986.34949	0.2
1059.38074	0.4
1165.41248	55.8
1166.41516	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	1165.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07091	0.4
83.01385	0.2
83.05019	0.7
85.02944	1.0
89.02471	0.3
89.36369	0.1
92.63229	0.1
93.03475	0.6
95.01366	0.2
95.05017	2.1
98.19951	0.3
98.32043	0.1
99.00861	0.4
99.08157	32.9
100.08508	0.6
101.02444	1.2
101.06086	0.4
105.03451	0.9
109.06581	1.3
110.00092	0.5
111.00871	0.3
113.02447	1.1
121.02938	0.7
121.54816	0.1
122.56422	0.2
123.04523	82.4
124.04863	1.6
125.02416	0.1
127.07650	57.9
128.07991	1.1
129.05577	52.2
130.05896	0.8
135.78320	0.1
138.03221	2.0
139.16399	0.1
143.03523	0.1
143.07176	0.2
149.02513	0.8
153.05571	53.6
154.05893	1.2
159.03011	0.4
161.04533	3.1
163.04111	0.2
169.41718	0.1
171.06619	11.3
172.06949	0.3
189.07713	2.2
221.06641	0.3
233.09705	0.3
244.09645	0.1
285.09790	4.5
285.12973	0.2
286.10257	0.2
291.10788	1.0
295.09671	0.6
327.10791	3.3
327.14597	0.2
333.12051	0.6
397.14941	0.2
439.16013	6.3
440.16278	0.4
457.17117	78.7
458.17523	4.4
481.17300	1.0
499.18182	100.0
500.18515	6.6
541.22534	0.2
569.22314	1.1
583.23871	0.2
611.23206	0.4
619.22150	0.3
629.24512	0.4
725.26581	1.6
726.26447	0.2
767.29211	0.2
793.25647	0.4
879.32776	1.8
880.33063	0.2
897.33887	25.0
898.34387	3.0
1122.65613	0.2
1165.41296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1165.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07099	0.2
83.01396	0.2
83.05021	0.7
85.02947	1.2
93.03457	0.9
95.05015	2.2
99.00867	0.2
99.08152	34.3
100.08490	0.6
101.02432	1.3
101.06069	0.5
105.03425	1.5
109.06576	1.5
110.00102	0.4
111.00886	0.2
112.13264	0.2
113.02442	1.2
117.90392	0.1
121.02955	0.5
123.04517	94.3
123.23051	0.1
124.04846	2.0
127.07645	66.3
128.07962	1.4
129.05571	56.5
130.05905	0.9
138.03220	2.3
143.03534	0.2
143.07207	0.2
147.04514	0.2
149.02441	1.1
153.05563	62.8
154.05878	1.5
159.02974	0.3
161.04532	3.3
166.56796	0.1
171.06615	12.9
172.06998	0.4
179.05588	0.3
189.07671	2.4
221.06590	0.2
233.09581	0.2
285.09760	4.5
291.10788	1.4
295.09653	0.5
327.10812	4.7
328.10849	0.2
333.11771	0.7
397.14246	0.3
423.48709	0.2
439.16022	7.8
439.75302	0.1
440.16312	0.6
457.17096	100.0
458.17447	6.8
481.17282	0.8
499.18161	90.5
500.18518	7.1
541.23010	0.3
569.22375	1.9
570.22742	0.2
601.21228	0.2
611.23560	0.4
619.21692	0.7
629.24469	0.3
640.06726	0.1
710.36450	0.2
725.26501	2.1
726.27307	0.2
879.32959	1.6
897.33844	20.1
898.34235	2.8
1165.40796	0.5
1166.42834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07098	0.3
83.01381	0.5
83.05017	0.7
85.02945	1.4
85.06598	0.2
93.03448	0.9
95.05017	3.1
99.00881	0.4
99.08156	33.5
100.08495	0.7
101.02440	1.8
105.03452	0.9
109.06586	1.5
113.02456	1.9
114.68265	0.2
119.03500	0.3
121.02971	0.9
123.04520	100.0
124.04870	2.0
127.07648	54.1
128.07967	1.2
129.05576	17.2
130.05948	0.5
138.03230	2.0
149.02394	1.2
153.05568	60.9
154.05904	1.3
159.02959	0.6
161.03267	0.4
161.04550	5.0
171.06615	10.5
172.06969	0.4
189.07674	2.9
207.06610	0.2
211.07552	0.2
216.08176	0.2
285.09772	24.5
286.10156	1.0
415.16223	0.4
433.05331	0.2
439.16110	1.1
443.15756	0.5
457.17117	75.5
458.17493	4.8
459.17325	0.4
613.19489	0.3
854.39539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.05167	0.4
55.01878	1.1
59.01378	0.6
70.13644	0.4
70.89545	0.7
71.01382	0.7
73.02945	100.0
74.03307	2.6
91.74874	0.4
99.00885	9.7
99.92596	1.6
116.92875	2.1
117.01942	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	1175.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01403	0.2
85.02960	1.1
89.02452	0.4
95.01393	0.6
96.96027	0.2
99.08167	0.6
101.02427	1.1
104.05709	0.1
112.16537	0.2
113.02439	1.7
115.05524	0.4
119.03545	0.3
119.05019	0.3
123.04533	0.8
123.69579	0.1
127.07653	77.5
128.07977	1.4
129.05595	0.4
131.05040	0.9
133.06570	0.7
134.06140	0.3
145.06662	0.1
145.08713	0.9
147.04514	6.4
153.05569	0.9
161.04738	0.2
161.06061	3.4
171.06622	46.7
172.06960	1.0
189.05539	1.4
189.07285	0.2
189.07823	0.2
257.09497	0.2
289.12903	0.6
316.20291	0.1
329.80075	0.2
437.18561	0.2
439.16049	0.6
457.16968	0.3
481.17120	100.0
482.17465	6.6
506.85001	0.2
630.10193	0.2
771.71021	0.2
1037.36914	0.5
1069.38940	1.1
1175.45972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
84.70494	0.1
85.02947	1.1
89.02452	0.4
95.01393	0.3
99.08159	0.7
99.27000	0.1
101.02423	0.8
102.11664	0.1
103.05535	0.1
109.06603	0.2
113.02451	1.5
115.05516	0.2
117.03517	0.1
119.03471	0.2
119.05000	0.2
123.04522	0.3
127.07648	84.3
128.07979	1.7
129.05562	0.4
131.05038	0.8
133.06595	0.6
138.03117	0.1
143.04990	0.1
145.08727	1.0
147.04503	6.3
148.04887	0.3
153.05544	1.0
159.04495	0.1
161.04587	0.4
161.06050	2.4
163.07574	0.1
171.06616	54.4
172.06961	1.1
189.05545	1.1
197.20210	0.1
201.05634	0.2
219.06677	0.2
241.08922	0.1
289.12854	0.7
435.18799	0.1
437.18082	0.3
439.16089	0.3
457.17010	0.3
458.17093	0.1
481.17099	100.0
482.17444	6.6
483.17657	0.2
543.88666	0.1
661.88477	0.1
734.32947	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	1175.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	0.3
83.01382	3.4
83.05005	0.5
85.02943	5.5
86.00068	0.3
87.00865	1.7
89.02439	2.4
89.13667	0.2
95.01390	1.2
95.05027	0.6
97.02931	1.0
97.06609	0.3
99.00865	1.6
99.04516	0.3
99.08154	9.8
101.02438	11.2
101.06071	1.0
107.05037	1.9
109.06567	0.4
111.00899	0.4
111.08165	1.2
113.02444	6.5
119.03479	1.3
123.04524	1.0
125.02450	0.8
125.06066	0.3
127.07647	16.3
129.01945	0.7
129.05574	30.4
130.05864	0.4
131.03491	0.6
135.04533	0.4
135.08159	0.5
137.02396	0.2
137.06145	0.2
137.09700	0.9
138.03200	0.4
139.07635	0.3
141.01939	0.4
143.03477	1.3
147.08156	0.6
148.05270	0.6
149.04547	0.8
149.05995	0.3
151.11284	1.0
153.05566	11.0
153.09142	0.6
153.12836	0.8
153.58611	0.2
154.05826	0.3
155.03447	0.5
159.02943	0.8
161.04546	5.3
161.09709	1.3
163.11279	17.0
164.11565	0.7
165.09209	2.2
165.12817	0.8
166.09941	0.3
171.06604	2.8
171.08124	1.7
173.09732	0.4
175.07596	0.2
177.09190	0.7
177.12895	0.3
179.05640	0.2
179.10777	0.8
181.12326	34.5
182.12648	1.0
183.10208	0.2
185.04239	0.2
187.11269	4.9
189.07635	0.3
189.09184	0.3
189.12828	7.9
190.09979	10.4
190.97148	0.2
191.10342	0.5
201.04033	0.4
201.12791	0.4
201.27406	0.2
203.05612	3.1
203.10736	0.4
203.14445	0.2
204.11488	1.3
205.12311	13.1
206.12663	0.5
217.12325	0.4
219.10208	0.4
221.06651	0.4
223.13390	4.0
225.96130	0.2
229.12305	2.8
231.13855	0.6
241.14403	0.4
243.39992	0.2
245.09729	0.2
247.13367	2.8
259.13425	0.4
263.11340	1.6
271.13419	0.3
277.14410	0.2
289.14429	0.5
291.11002	1.1
297.19540	0.2
299.83630	0.2
307.15518	0.2
325.16541	0.4
349.16495	6.0
350.16901	0.3
367.12903	0.4
367.17590	9.5
368.17966	0.8
385.18750	1.8
409.18631	2.5
417.17490	2.3
427.19681	20.8
428.20105	1.3
435.18658	100.0
436.18997	6.5
457.17062	0.4
471.18701	1.2
477.19104	0.2
703.28284	0.4
755.49780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	2.1
83.05033	1.8
84.02192	0.4
85.02950	9.8
87.00877	2.0
89.01932	0.6
89.02448	8.2
93.03478	1.0
94.04260	0.4
95.01400	3.2
95.05007	0.8
97.02963	1.5
99.00890	4.6
99.08183	0.5
101.02444	12.6
101.03114	0.7
102.02750	0.3
109.02947	0.6
109.06588	6.3
111.00894	1.1
113.02456	16.3
115.05547	1.2
117.03514	0.4
119.03511	4.9
119.05012	1.4
121.02962	0.5
123.04528	20.2
124.04818	0.6
125.02460	3.2
126.90422	0.4
127.07656	66.1
128.08009	1.5
129.05586	0.9
131.03500	1.2
131.05005	2.7
133.06607	2.2
134.03763	0.4
137.02444	0.9
138.03235	9.3
143.03497	3.3
143.05017	0.3
145.06615	0.7
147.04532	23.7
148.04892	0.7
149.02422	0.4
153.05579	100.0
154.05894	3.0
155.03558	0.4
159.02988	0.6
161.04562	10.4
161.06085	13.7
161.07440	0.7
161.13362	0.5
162.06508	0.4
163.04016	0.8
171.06630	38.6
172.06975	1.3
173.06078	0.3
175.07619	0.4
179.05615	5.2
179.07062	0.5
185.13472	0.3
187.11272	2.1
189.05579	5.4
189.07588	0.9
203.05560	0.5
203.14429	0.4
203.24811	0.3
205.12349	1.9
213.07840	0.4
219.06598	0.8
221.06676	2.2
229.12352	1.4
237.07683	0.8
245.06679	1.8
247.13406	0.6
249.07742	0.6
249.11322	0.4
262.88730	0.3
263.07745	1.1
285.09766	0.8
305.08871	0.9
309.09778	1.5
309.13394	0.7
323.09818	22.2
324.10175	1.1
333.11938	0.8
411.16589	1.1
421.15057	3.6
422.15204	0.4
429.13858	1.1
439.16089	72.8
440.16321	6.0
447.15063	25.0
447.21698	0.4
448.15375	1.9
453.13977	1.3
457.17215	1.9
458.17221	0.5
471.18893	2.2
481.16443	0.7
569.20300	5.5
570.20630	0.6
577.19263	3.6
578.19647	0.6
583.20392	3.7
584.20392	0.6
601.21387	87.4
602.21704	10.0
619.22253	4.8
619.31586	0.4
620.22455	0.4
731.25525	15.3
732.26093	2.4
749.26630	13.1
750.26709	2.0
763.26788	1.7
781.27863	3.2
782.28809	0.4
807.34448	4.8
808.34253	0.6
851.31409	1.1
861.35010	0.4
869.30511	1.6
911.31970	57.9
912.32275	12.0
1001.27289	0.4
1065.55701	0.5
1116.90039	0.4
1119.42712	1.2
1151.07190	0.3
1179.44727	6.1
1180.44263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.8
83.05026	0.5
84.08818	0.2
85.02947	5.6
87.00863	0.9
87.38377	0.2
89.02446	6.1
95.01382	1.4
97.02940	0.5
99.00864	1.5
99.04560	0.2
99.08155	10.1
100.08514	0.3
101.02438	11.4
101.06075	1.2
102.02784	0.5
111.00888	0.3
113.02445	8.8
114.02769	0.2
119.03505	2.9
123.04550	1.1
125.02429	0.4
125.06100	0.3
127.07651	18.4
128.07991	0.8
129.05576	31.6
130.05911	1.2
131.03471	0.7
131.06010	0.3
138.03221	0.6
143.03546	1.2
149.04547	0.4
153.05568	12.3
154.05925	0.5
159.02985	1.1
161.04555	5.9
162.04881	0.2
163.11285	0.8
164.11623	0.2
171.06621	3.3
171.08009	0.2
179.05632	0.6
181.12361	1.3
182.12688	0.6
187.11159	0.3
187.93863	0.2
189.07668	0.4
190.09979	0.5
190.13086	0.3
205.12363	0.3
209.15419	0.6
221.27647	0.2
225.26172	0.2
227.16495	2.1
245.17632	0.3
263.11328	2.2
264.11530	0.3
291.10782	1.1
301.98312	0.2
322.02917	0.2
323.18622	0.9
341.19891	0.3
351.17285	0.3
353.19653	0.3
359.20612	0.5
369.18973	0.8
370.19409	0.3
371.20715	11.6
372.21014	0.8
387.19998	0.3
389.21796	14.1
390.22174	0.9
401.21768	3.2
413.21866	0.3
417.17599	2.0
427.20038	0.2
428.20227	0.4
429.20981	0.9
430.21201	0.6
431.22821	42.4
432.23117	3.0
433.20801	0.7
435.18668	100.0
436.19019	9.9
437.19208	2.3
438.19388	0.9
457.16769	0.2
474.23511	1.3
475.23132	1.2
674.02618	0.2
703.28052	0.3
946.32111	0.2
1039.28296	0.2
1058.07422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05024	1.8
85.02946	0.8
89.02443	1.1
93.03462	0.8
94.04231	0.7
95.05020	1.2
96.99303	0.6
101.02443	1.4
105.03473	0.5
107.05033	0.6
109.06594	6.5
111.00951	0.3
113.02422	1.0
115.00371	15.4
115.15577	0.2
119.03517	0.5
121.02979	0.7
123.04521	39.9
124.04838	0.9
127.07645	13.0
132.02165	0.8
133.01436	5.2
133.02951	6.7
133.88730	0.3
134.03714	1.2
135.04520	19.2
138.03226	7.8
139.03574	0.3
143.03500	0.3
149.02396	0.3
152.92603	0.3
153.05571	100.0
154.05899	2.7
155.07129	0.3
161.02444	9.2
161.04460	1.8
162.02783	0.4
171.06616	10.0
172.06969	0.5
179.03497	12.8
179.05566	1.6
187.96095	0.3
233.11848	0.5
277.05798	0.3
285.09760	1.2
295.04559	1.3
297.94836	0.3
351.12912	0.4
383.09811	8.1
401.10846	24.4
402.11298	1.4
439.16064	72.9
440.10556	0.4
440.16394	4.6
563.14044	28.7
564.14435	2.3
619.22394	43.5
620.22632	4.5
621.23065	0.5
939.74377	0.3
1200.08325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
85.99158	0.1
91.05516	0.1
93.03442	0.7
100.74094	0.1
117.03458	1.1
119.05020	70.1
119.40518	0.1
120.05356	1.6
121.02962	0.3
123.04559	0.1
133.02997	0.1
135.04536	0.2
145.02898	0.3
163.03996	100.0
164.04323	2.8
196.56497	0.1
205.05035	0.1
227.03447	0.1
237.05798	0.1
269.08157	4.2
270.08569	0.2
284.02917	0.1
285.04129	0.1
325.09244	27.1
326.09604	1.2
338.18228	0.1
431.13406	29.8
432.13773	2.2
435.18930	0.1
459.37357	0.1
593.16022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.035
Annotation	D-Erythrose
Peak:m/z	Relative Intensity
54.51780	2.8
55.01884	16.5
59.01372	29.2
69.87986	13.8
71.01377	38.7
72.99307	67.0
73.02936	29.0
75.00871	15.2
87.00879	4.7
88.38780	2.9
89.02422	2.9
99.00875	9.4
101.02429	19.3
119.03497	100.0
119.04955	28.0
120.03830	4.3
125.35693	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97211	0.5
55.15424	0.5
57.43677	0.5
59.01383	1.2
68.51056	0.5
71.01391	0.7
72.39719	0.6
74.63943	0.5
91.05542	1.1
93.03461	5.8
98.19876	1.3
101.92428	0.7
104.02588	0.5
116.97127	0.5
117.03442	0.7
118.92688	2.5
119.05030	100.0
120.05357	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
91.05543	1.3
93.03448	3.9
98.20614	1.9
100.94598	0.9
110.00275	0.8
118.92670	1.6
119.05018	100.0
120.05357	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.6
65.03936	0.5
70.81707	1.1
71.01381	0.9
73.02937	1.0
91.05546	1.3
93.03448	5.2
94.03747	0.5
100.78164	0.5
101.02447	1.2
101.92425	1.7
104.02593	0.6
117.03466	1.0
118.92659	2.9
118.93403	0.6
119.03577	3.1
119.05030	100.0
120.05347	5.2
123.06071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91244	1.0
70.91603	0.7
85.56606	0.4
91.05536	1.5
93.03465	5.1
93.73635	0.5
96.06904	0.5
104.02705	0.7
115.95004	0.5
117.03500	1.0
118.92691	1.3
119.05024	100.0
120.05363	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.68664	0.3
68.15456	0.3
70.85810	0.7
73.38473	0.3
81.73739	0.3
91.05523	1.3
93.03451	5.3
98.83035	0.3
101.92441	0.5
104.02712	0.5
104.83220	0.3
105.82333	0.3
112.69514	0.3
117.03420	1.0
118.92666	0.9
119.05020	100.0
120.05347	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.83007	0.8
59.01393	1.3
60.92564	0.7
69.98738	0.7
71.01362	0.8
72.99309	1.0
73.02935	0.8
89.95221	0.7
91.05540	1.4
93.03453	5.8
93.44632	0.7
98.20707	1.2
98.46854	0.6
101.92437	3.3
101.93029	0.9
103.96683	0.8
104.02684	0.7
117.03485	1.2
118.26537	0.7
118.92635	6.2
118.93426	1.0
119.05032	100.0
120.05378	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.92350	0.6
57.63718	0.6
59.01363	2.1
64.67962	0.6
69.39729	5.0
71.01370	0.9
71.38706	0.7
72.49222	0.6
74.13516	0.6
91.05531	1.3
93.03442	4.9
98.20684	1.2
101.92397	1.1
117.03440	1.5
118.92688	2.6
119.05025	100.0
120.05359	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01372	1.4
64.97671	0.6
65.18385	0.6
71.01373	0.8
91.05550	0.9
93.03474	6.0
94.01214	0.7
98.20771	1.0
101.92411	1.4
118.92684	2.1
119.05030	100.0
120.05379	6.9
121.89977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.39512	0.8
58.64051	0.8
58.89171	0.8
59.01366	2.8
59.02346	0.8
61.44841	0.9
67.42495	0.9
71.00751	1.7
71.01386	1.5
74.14965	0.9
91.05531	1.3
93.03444	6.5
101.92410	3.4
118.92634	11.2
118.93336	2.1
119.05020	100.0
120.05329	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	1191.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05021	1.4
85.02937	0.6
89.02459	0.8
93.03480	0.5
94.04300	0.4
95.05046	0.6
101.02440	0.8
109.06586	6.4
113.02480	0.7
119.03474	0.6
121.02917	0.3
123.04524	19.1
124.04840	0.5
125.06026	0.4
127.07651	14.1
128.08003	0.4
138.03226	8.1
149.02487	0.3
151.34601	0.2
153.05571	100.0
154.05916	3.0
161.04576	0.4
171.06621	11.5
172.06960	0.4
179.05586	1.5
187.11342	0.3
230.22496	0.2
233.11736	0.3
250.33148	0.2
285.09723	0.3
305.91980	0.3
307.59015	0.2
327.08566	0.3
351.13116	0.3
439.16077	71.1
440.16370	4.3
619.22400	43.4
620.22729	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	1193.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.5
83.05034	0.9
85.02948	3.3
86.94428	0.5
87.00871	0.8
88.98792	0.6
89.02442	0.9
93.03461	1.0
95.01345	0.8
95.05014	1.0
97.02909	0.5
99.00899	1.2
99.04519	2.1
101.02432	6.9
107.05025	0.5
111.00889	0.8
111.04495	2.2
113.02438	5.9
113.06076	0.9
113.47123	0.6
117.03467	0.5
119.03506	0.9
119.05032	4.0
121.02949	1.6
123.04517	8.3
127.07650	4.3
129.05569	1.8
134.03694	0.7
135.11818	0.5
138.03267	0.5
143.03499	1.2
145.10190	0.7
153.05566	5.1
157.22778	0.5
159.02963	1.3
160.01729	0.7
161.03259	1.1
161.04539	16.4
161.09692	1.6
161.13338	16.1
162.13652	0.9
163.04022	5.7
163.11261	2.3
171.06631	1.8
175.03951	1.3
187.11240	5.8
189.09126	0.6
193.04997	0.7
203.10741	0.7
205.12312	37.7
206.12646	1.4
207.10217	4.2
221.06636	69.7
222.06979	1.8
223.13376	20.0
249.11298	25.2
250.08879	0.9
250.11447	0.9
267.12350	8.6
268.12616	0.5
272.43713	0.5
285.09921	0.8
291.12180	0.6
306.07700	2.3
309.13412	2.1
327.10681	0.7
367.17496	1.6
371.09793	20.8
372.10172	1.2
393.15320	1.1
401.09134	0.6
409.19000	0.9
411.16531	0.9
431.13376	2.5
439.16092	3.3
457.17093	2.5
461.14603	1.1
499.19440	2.0
517.20728	100.0
518.21057	8.7
533.24719	0.6
535.21802	53.6
536.22162	4.8
559.07703	0.6
559.21735	12.1
560.21942	1.0
577.22852	33.0
578.23022	3.3
599.30597	2.7
603.20728	12.6
604.21436	0.9
617.32037	2.3
633.21881	0.9
673.31116	0.7
751.31134	0.7
765.26093	0.8
785.29547	4.3
845.31726	0.7
871.30072	1.0
889.31256	46.7
890.31689	8.1
1031.42883	0.8
1157.39417	0.9
1193.37891	3.4
1194.39819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.3
90.75639	0.1
93.03458	0.2
98.20608	0.2
99.08113	0.1
101.02431	0.1
101.29583	0.1
107.01381	0.7
112.10645	0.1
113.02454	0.1
117.03452	0.2
121.02910	0.1
125.02447	0.4
127.07635	0.3
129.05612	0.4
132.02151	0.1
134.45822	0.1
135.00877	0.2
143.04961	0.1
147.04546	0.1
151.00368	1.6
152.01125	0.1
153.01923	0.3
153.05574	0.2
155.05028	0.1
159.04427	0.2
161.02419	0.1
163.00439	0.4
164.01207	0.1
165.01979	0.2
167.04997	0.2
169.06570	0.1
171.04457	0.2
174.03244	0.3
175.03970	0.2
178.99837	0.2
182.03673	0.2
183.04504	1.1
185.02417	0.2
185.06082	0.2
187.03917	0.2
189.05499	0.1
195.04352	0.1
199.03932	0.1
200.04932	0.1
201.05502	0.2
205.12415	0.1
210.03009	0.1
211.03957	1.3
212.04651	0.1
213.05536	0.3
214.02538	0.1
215.03455	0.1
227.03479	44.4
228.03868	1.9
229.04988	1.0
230.05310	0.1
239.03519	0.3
240.04239	0.2
241.05008	0.3
243.03075	0.1
255.02971	56.3
256.03595	6.4
257.04507	0.7
259.06165	0.1
263.11459	0.1
267.02798	0.1
268.03751	0.1
269.04523	0.3
281.04495	0.1
283.02344	0.2
284.03247	49.0
285.03949	14.2
286.04404	0.6
296.03168	0.1
299.05692	0.2
326.04663	0.1
327.05106	0.9
357.06100	0.1
429.08020	0.1
435.13113	0.1
435.18689	1.8
436.19244	0.1
489.10339	100.0
490.10687	9.0
667.51782	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	1195.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.5
83.05038	1.1
87.00893	0.3
89.02447	1.1
89.03987	0.2
93.03450	4.1
94.04246	0.5
94.23563	0.2
94.72147	0.2
95.01388	1.8
95.05036	0.9
98.20649	0.5
99.00827	0.3
101.02422	1.8
105.03474	0.3
106.04289	0.2
107.05050	0.2
109.06592	5.8
111.00880	0.6
113.02450	6.7
117.03461	15.5
119.05023	41.7
120.05341	1.0
121.02951	2.0
123.04522	19.1
124.04867	0.3
125.02451	0.2
125.06066	0.3
127.07649	31.2
128.07985	0.7
130.04233	0.7
131.05017	1.7
132.05815	2.4
133.02959	0.5
133.06592	9.2
134.06929	0.3
135.04497	0.3
138.03227	9.2
143.03488	0.4
143.05046	0.3
145.02946	49.1
145.06551	0.9
146.03249	1.4
147.04495	0.9
149.06090	0.7
153.05568	100.0
154.05908	2.7
158.03726	1.3
159.03206	0.4
159.04507	5.4
160.05211	0.4
161.04610	1.9
161.06062	16.7
162.03174	0.6
162.06453	0.5
163.04001	31.2
164.04312	1.1
171.06624	25.9
172.07001	0.5
173.06078	1.6
175.03984	0.6
177.05554	4.0
177.09651	0.2
178.05754	0.2
179.05597	0.9
187.03993	19.2
187.11331	0.3
188.04297	0.5
189.05502	0.3
191.07126	1.6
201.05502	0.3
203.07173	0.6
205.05043	17.6
206.05382	0.7
210.93317	0.2
217.05011	1.9
223.13367	0.8
229.05006	0.3
235.06088	5.9
265.07150	18.1
266.07535	0.7
307.08231	6.4
325.09253	22.2
326.09595	0.6
339.10876	0.3
367.10370	1.2
397.11575	0.3
421.15012	0.5
427.12399	0.9
427.19400	0.5
431.13412	7.1
432.13708	0.4
439.16055	75.2
440.16403	4.5
479.15756	1.4
487.14496	0.5
497.16400	0.9
566.93365	0.2
585.19727	6.0
586.19946	0.4
601.21497	1.4
619.22217	3.0
641.21057	1.4
659.22058	1.1
707.24402	0.3
747.25092	2.7
748.25287	0.4
752.24176	0.2
765.26050	58.5
766.26575	6.4
853.29169	17.5
854.29657	1.8
927.31360	25.9
928.31592	3.0
1033.35535	27.4
1034.35815	4.3
1060.62988	0.2
1195.40625	0.3
1234.15308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	1.0
83.05025	0.8
85.02924	3.0
87.00854	0.3
89.02451	0.7
89.03972	0.3
93.03465	4.1
94.04252	0.4
95.01377	2.0
95.05035	0.6
97.02942	0.8
99.08137	0.4
101.02442	4.6
109.06587	4.3
109.72252	0.2
111.00877	1.0
113.02450	7.9
117.03469	13.0
119.05028	93.3
120.05381	2.4
121.02949	3.2
123.04524	13.4
125.02464	0.3
127.07652	30.8
128.07968	0.5
130.04225	0.4
131.05019	1.2
132.05815	3.2
133.02943	0.7
133.06595	14.2
133.28828	0.2
134.03784	0.4
134.06998	0.4
138.03232	6.2
143.03523	0.9
143.05016	0.2
145.02954	38.2
145.06592	0.7
146.03302	1.4
147.04538	0.5
149.02431	0.4
149.06067	0.4
153.05574	74.4
154.05891	1.9
158.03709	0.7
159.04489	2.4
160.05223	0.4
161.04593	5.2
161.06053	26.0
162.03239	0.8
162.06415	0.8
163.04005	87.0
164.04338	2.5
171.06624	25.0
172.06970	0.6
173.06061	0.6
177.05486	1.9
179.05589	0.4
187.04001	10.4
188.04318	0.4
189.05547	0.3
191.07140	2.1
205.05049	29.9
206.05490	1.3
213.07651	0.3
217.05045	2.7
229.05115	0.3
235.06120	5.7
247.06104	1.0
265.07159	11.3
266.07526	0.5
272.94421	0.2
277.06598	0.2
285.09882	0.3
289.07520	0.3
307.08246	4.4
325.09268	45.6
326.09607	2.2
339.35263	0.2
363.16302	0.2
367.10327	8.4
368.10690	0.6
397.11298	0.7
409.11526	0.7
427.12393	4.8
431.13422	5.1
432.13831	0.4
439.16071	100.0
440.16367	6.2
457.17142	0.6
479.15781	0.5
487.14526	1.8
585.19781	3.9
586.20099	0.4
601.21301	0.7
613.37091	0.3
619.22473	1.5
641.21405	1.3
707.54126	0.3
747.25140	3.7
748.26080	0.5
765.26123	16.8
766.26172	2.3
853.16693	0.2
853.29224	8.3
854.29553	1.1
927.31421	21.3
928.31738	3.2
1033.35632	6.3
1034.36487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00542	0.3
83.01388	0.6
83.05036	0.8
85.02908	3.0
89.02448	0.7
91.05511	0.5
92.46178	0.3
93.03460	4.0
94.04232	0.2
95.01385	1.9
95.05017	0.7
96.99310	0.3
97.02956	0.9
99.08155	0.3
101.02440	4.4
105.03464	0.3
109.06593	4.0
111.00867	0.8
113.02445	8.7
117.03461	12.3
118.60043	0.3
119.05024	91.7
120.05370	2.0
121.02946	3.2
123.04521	14.1
124.04879	0.3
125.02419	0.4
127.07645	30.9
128.08022	1.1
130.04263	0.5
131.05046	1.3
132.05806	3.7
133.02957	0.5
133.06590	14.4
134.06944	0.5
138.03227	6.5
140.70056	0.2
142.15877	0.3
143.03484	1.2
145.02951	38.8
146.03369	1.1
147.04584	0.3
153.05569	75.2
154.05902	1.6
158.03720	0.7
159.04503	2.4
160.05139	0.3
161.04572	6.5
161.06075	24.9
162.03197	0.7
162.06410	0.8
163.04002	87.8
164.04333	2.4
167.07106	0.3
171.06619	25.4
172.06987	0.7
173.06097	0.9
175.03979	0.3
176.28819	0.3
177.05565	2.5
179.05571	0.7
187.03989	9.7
189.05643	0.4
191.07112	1.9
205.05040	31.0
206.05322	0.8
217.05017	3.0
235.06104	5.1
236.06400	0.3
247.06168	1.1
255.86823	0.2
265.07159	10.9
266.07434	0.4
289.07138	0.3
307.08212	4.7
325.09259	48.2
326.09515	2.2
328.85474	0.3
333.11688	0.4
367.10300	9.1
368.10513	0.3
397.11279	1.1
409.11316	0.7
421.15125	0.6
427.12439	4.8
431.07910	0.4
431.13409	5.1
432.13788	0.4
439.16064	100.0
440.16425	7.1
457.17108	1.3
470.17520	0.3
479.15262	0.4
487.14273	1.8
585.19751	3.8
586.20587	0.4
593.18890	0.3
601.21216	1.0
619.22260	1.5
641.20648	1.3
647.13092	0.3
649.69470	0.3
747.24878	4.1
765.26062	17.1
766.26410	1.8
853.29095	9.6
854.30237	1.2
927.31366	23.4
928.31781	3.8
1033.35657	7.9
1033.57092	0.5
1034.35535	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	1197.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	0.7
83.05006	0.5
85.02950	1.9
87.00877	0.2
93.03458	0.9
95.01369	0.5
95.05010	1.8
96.34195	0.2
97.02982	0.3
99.00884	0.7
99.04543	0.2
99.08154	23.0
100.08496	0.6
100.42735	0.2
101.02440	2.2
105.03446	0.7
109.02872	0.2
109.06598	1.3
111.00900	0.3
113.02449	2.1
119.04992	0.3
121.02949	0.7
123.04520	79.5
124.04851	1.8
125.02413	0.5
127.00349	0.4
127.07648	49.6
128.07996	1.3
129.05574	29.4
130.05934	0.7
138.03210	1.8
141.01941	0.2
143.03465	0.8
143.07283	0.2
147.04442	0.3
149.02449	0.8
151.00345	0.3
151.07594	0.4
153.05565	38.8
154.05885	1.5
154.28500	0.2
159.03000	0.7
161.04550	4.8
169.01437	0.3
169.06485	0.8
171.06616	10.6
172.06940	0.4
182.07323	1.1
187.02466	0.2
189.07672	2.5
197.06082	0.7
198.06845	4.1
199.07245	0.2
208.00426	1.2
209.00861	0.3
209.06041	0.5
210.06902	0.2
211.02365	0.3
221.06615	0.4
225.05588	1.6
226.06339	39.2
227.06702	2.0
229.03496	2.6
241.08682	45.7
242.09013	2.4
247.04483	0.2
267.08929	0.3
285.09784	4.5
286.10022	0.2
291.10974	0.2
327.10794	0.8
331.14029	1.1
353.08719	3.3
395.09781	0.6
402.08170	0.4
403.08926	0.2
403.13870	0.6
421.15152	0.4
439.16049	12.0
440.16428	0.9
457.17114	100.0
458.17465	7.8
465.13928	0.4
471.12906	15.4
472.13406	1.4
474.00812	0.2
481.17108	8.5
482.17462	0.6
499.18182	4.7
500.18375	0.3
515.14124	1.9
516.14673	0.2
525.16064	8.8
526.16437	0.9
609.18073	0.6
625.21002	0.2
627.19427	0.2
687.21375	13.3
688.21912	1.4
725.26685	1.2
726.26752	0.2
737.27887	0.2
757.23499	0.3
793.25555	28.2
794.25818	4.5
877.27795	0.3
929.30261	2.4
930.31030	0.5
959.27960	0.2
1032.75671	0.2
1070.62134	0.2
1197.41736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	3.2
83.05028	1.0
85.02948	2.7
86.00112	0.2
86.72919	0.2
87.00877	2.8
89.02444	1.8
93.03457	0.6
93.07092	0.2
95.01382	0.6
95.05026	1.2
97.02979	0.8
97.06599	0.6
99.00873	0.7
99.04517	3.7
99.08156	11.4
100.08492	0.3
101.02438	7.9
101.03104	0.4
105.03447	0.6
109.02962	0.5
109.06599	0.6
113.02447	3.8
113.06080	0.5
113.09722	14.6
114.10051	0.3
119.03484	1.1
121.02969	0.5
121.06593	0.4
123.04521	55.8
123.08094	1.2
124.01678	1.4
124.04836	1.3
125.02401	0.3
127.07648	18.8
128.07973	0.5
129.05576	13.3
130.05878	0.2
130.78955	0.2
131.03494	0.6
135.04565	0.2
135.08133	0.4
135.11803	0.3
136.05223	0.3
137.06090	0.3
137.09724	1.7
138.03201	1.1
141.09212	27.2
142.09561	0.6
143.03481	0.8
143.07135	12.9
144.07483	0.2
145.10219	0.3
147.08134	0.2
149.02434	0.5
149.04564	0.8
149.13298	0.2
151.07629	0.4
151.11263	0.5
152.04816	0.2
153.05571	16.2
153.09167	1.2
154.05920	0.3
155.03471	0.3
159.02963	0.4
161.04553	5.4
161.06064	1.5
161.09698	0.7
163.04019	1.2
163.07695	0.3
163.11267	0.7
165.09196	19.7
166.09511	0.5
167.07123	15.2
168.07492	0.5
171.06636	3.5
171.08084	0.3
172.08958	0.2
175.07632	4.4
177.12846	6.1
178.06340	2.1
178.13087	0.3
179.10764	2.7
185.08179	9.7
186.08517	0.2
187.11264	2.8
189.07664	1.4
189.09219	1.1
190.09978	2.8
191.10590	0.2
193.08702	1.2
193.12315	0.4
203.05574	1.5
203.09258	1.3
203.10890	0.3
205.12318	48.6
206.12642	2.2
207.13792	0.2
208.10982	0.3
221.06697	0.3
221.11826	0.5
222.12607	0.2
223.13379	21.4
224.13695	0.9
247.13350	0.3
265.14490	0.4
285.09787	7.8
286.10117	0.3
295.15515	1.4
302.23807	0.2
365.14481	15.1
366.14822	0.7
367.17575	9.5
368.17786	0.4
382.95459	0.2
385.18628	4.7
385.23373	0.3
386.19205	0.2
427.19678	73.7
428.20035	4.8
428.24454	0.1
439.16061	0.6
441.17316	0.2
453.17667	0.5
457.17111	100.0
458.17419	6.7
458.24011	0.2
471.18677	40.0
472.18973	2.6
472.24911	0.3
484.30490	0.2
499.17737	0.3
998.59106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03978	0.6
77.38779	0.2
78.48888	0.3
81.04848	0.2
91.01903	1.2
92.02681	0.7
93.02882	0.3
93.03463	6.8
94.03826	0.3
95.01395	1.1
99.74136	0.3
99.74865	0.3
108.02177	4.1
120.02158	0.3
121.02962	100.0
122.03293	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	123.044
Annotation	Orcinol
Peak:m/z	Relative Intensity
50.98742	1.8
52.71038	1.7
63.15900	2.1
63.58780	2.0
74.92451	1.7
77.03986	13.4
77.14300	1.9
93.03465	4.3
95.01395	10.1
95.05022	28.8
96.05323	2.6
105.03452	4.7
121.02955	3.7
123.00893	3.1
123.04523	100.0
124.04844	6.0
132.48108	1.8
134.15855	2.2
141.33003	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	123.0453
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
54.55280	0.8
55.18610	0.6
68.99813	0.7
70.79344	0.8
70.79682	1.4
76.78072	0.6
77.03967	12.4
93.03469	4.7
95.01404	7.2
95.05028	37.9
96.05379	2.4
96.47380	0.7
103.21239	0.7
105.03465	6.8
121.02947	5.1
123.00925	4.0
123.04526	100.0
124.04085	1.2
124.04860	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	123.0453
Annotation	Orcinol
Peak:m/z	Relative Intensity
60.18902	0.9
63.99602	0.9
65.21085	0.9
71.25915	1.0
71.26263	1.6
73.25739	0.8
77.03964	12.7
91.43033	0.9
93.03456	4.2
95.01382	7.3
95.05029	32.2
96.05360	2.0
105.03446	7.4
121.02968	3.9
123.00912	4.0
123.04525	100.0
124.04868	6.0
129.10962	0.9
134.18442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0454
Annotation	Orcinol
Peak:m/z	Relative Intensity
57.54690	1.6
60.02195	1.6
61.84814	1.4
67.01900	2.7
68.99818	3.9
77.03963	3.2
79.05531	25.8
81.03461	28.2
82.02946	1.6
93.03473	2.7
94.02997	3.0
95.01390	53.0
95.05031	15.0
96.01736	3.3
96.04557	2.3
98.80771	1.3
102.75337	1.5
105.03500	1.9
108.02192	7.6
121.02941	2.8
122.03746	2.6
123.00906	31.3
123.04529	100.0
124.01612	2.4
124.04021	5.9
124.04871	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	127.0759
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
53.30460	20.9
92.72698	21.9
126.90430	33.2
127.00389	25.2
127.07629	100.0
128.03532	32.5
128.07132	29.4
146.95255	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93191	19.7
56.80677	22.9
58.30930	18.6
58.72620	17.7
60.36570	20.3
71.11045	51.8
75.56153	18.3
75.96671	21.1
98.40933	22.3
99.00845	29.4
123.59415	21.8
126.90414	100.0
127.00375	62.2
127.07637	91.0
128.03523	72.3
128.07152	43.8
135.34952	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01876	15.0
57.03453	49.1
62.12761	4.1
64.04960	4.5
67.01890	100.0
68.99821	13.1
69.27383	41.3
71.01364	22.5
72.99296	12.1
73.02962	9.7
74.63882	4.2
83.01389	7.0
85.02929	31.0
87.00877	5.0
88.04051	15.2
98.20617	9.1
98.40724	4.5
99.00889	5.6
111.00897	4.8
113.27586	4.6
129.01955	41.3
130.08743	22.8
138.96236	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.78980	0.9
53.10012	1.0
55.01860	3.1
55.03635	1.0
57.03447	10.6
59.01377	1.1
65.65903	1.0
67.01892	23.5
68.99816	10.1
70.31261	3.8
71.01367	3.2
72.99301	3.9
73.02921	3.1
83.01385	1.8
85.02955	6.3
87.00867	1.7
88.03998	1.2
101.02415	1.6
129.01909	8.3
130.08733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70271	8.5
65.14536	10.5
69.21886	100.0
69.22215	13.1
98.20666	24.5
111.06349	10.4
128.90184	12.5
130.08719	29.2
143.81116	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	129.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35639	26.2
69.45955	100.0
69.46366	41.0
75.13109	19.8
81.30701	23.6
128.90155	33.4
130.08717	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74252	100.0
79.16794	18.9
98.20012	43.9
114.93606	19.4
115.11398	21.6
124.61580	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01866	20.7
57.03431	20.8
67.01869	14.6
71.01385	23.7
71.41837	19.8
85.02945	45.5
101.02483	21.8
102.52227	12.5
128.90166	100.0
129.01926	34.4
129.05553	62.8
130.08746	48.5
136.16687	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
58.01606	24.8
67.01859	31.2
71.27325	37.9
72.42355	28.2
78.42206	21.8
85.02942	42.9
85.06603	23.9
87.00852	25.1
90.18543	23.4
125.75383	24.6
128.90143	70.4
129.01915	27.6
129.05576	88.9
130.08752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	1-Oxa-2-oxo-3-hydroxycycloheptane
Peak:m/z	Relative Intensity
51.19220	18.4
54.91426	15.3
64.92215	16.3
69.45113	29.5
69.45522	100.0
80.36594	17.3
115.59293	15.8
123.99326	20.1
129.05560	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
51.28636	27.1
52.27138	25.1
53.98498	27.2
70.05189	70.8
70.05583	53.0
85.02982	49.7
90.18207	22.6
128.90163	83.4
129.05553	100.0
130.08748	50.0
147.26857	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	1-Oxa-2-oxo-3-hydroxycycloheptane
Peak:m/z	Relative Intensity
57.77217	22.6
61.58908	24.0
70.03380	27.0
70.08607	100.0
70.08981	48.9
107.87272	27.7
129.05534	67.9
148.75401	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
62.67829	0.7
63.26344	0.8
64.70200	0.8
67.54564	0.7
69.79938	4.2
69.80321	1.5
73.02921	1.8
85.02942	4.6
85.74286	0.7
87.00842	0.9
87.04506	0.9
98.20011	1.0
99.17255	0.9
103.47588	0.8
130.08733	100.0
131.03476	1.4
131.09064	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.03460	1.3
59.01372	1.3
71.01380	81.5
71.50476	1.4
72.01728	1.6
72.99311	19.6
87.00871	3.5
87.04516	1.9
89.02451	6.4
99.45758	1.1
107.03600	1.5
115.00374	100.0
116.00676	3.3
132.86794	5.6
133.01447	17.8
133.02930	2.2
133.05052	2.8
134.01801	1.0
134.04694	4.1
148.32492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.92608	1.1
58.31401	1.1
59.01393	1.1
67.26118	1.1
70.69273	3.3
71.01376	79.9
72.01685	1.6
72.99303	24.2
77.03983	1.8
77.36931	1.0
87.00871	2.5
87.04536	1.4
89.02420	6.9
95.04990	3.5
104.70894	1.3
105.03474	7.0
115.00362	100.0
116.00675	2.2
132.02159	1.3
133.01422	22.0
133.02951	9.2
133.04935	1.2
134.04732	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01374	1.6
70.71418	1.2
71.01379	86.6
71.50648	1.7
72.01705	1.3
72.99308	20.0
80.64346	1.2
87.00872	4.1
87.04494	4.3
89.02443	9.2
106.06603	2.0
107.03673	2.4
115.00365	100.0
116.00670	3.3
132.86795	9.5
133.01421	20.7
133.02913	2.6
133.05060	4.7
134.04738	8.1
134.98277	1.2
144.35858	1.1
145.97833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.27216	0.7
57.03441	1.2
59.01367	2.2
71.01381	80.2
72.01721	1.8
72.99308	18.4
87.00861	2.5
87.04503	1.3
89.02444	9.0
98.55267	0.8
105.03350	0.8
107.03601	1.4
115.00372	100.0
116.00691	3.3
120.74441	0.8
128.63034	0.9
132.86780	5.4
133.01431	20.5
133.02969	1.3
133.05055	2.8
134.04698	3.6
137.58359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
63.18945	1.0
67.61860	1.0
69.79610	5.0
71.01380	78.4
72.01722	2.2
72.99306	18.6
79.44330	0.9
87.00882	1.9
89.02443	8.4
115.00371	100.0
116.00749	2.6
133.01428	19.5
142.71500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55825	1.1
53.57618	1.1
59.01376	1.8
62.62132	1.3
70.45064	3.5
70.45418	1.8
71.01383	79.7
72.01722	2.5
72.99312	21.4
87.00888	4.0
87.04483	1.2
89.02439	8.1
89.35165	1.3
115.00375	100.0
116.00729	4.4
133.01437	21.2
133.05035	1.7
134.01805	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21363	0.9
57.03456	1.3
59.01361	2.2
70.20011	3.1
70.25013	0.8
71.01377	75.3
72.01695	1.1
72.99307	17.1
82.22171	0.8
84.70432	0.8
87.00876	1.2
89.02438	7.6
98.20000	1.0
115.00365	100.0
116.00687	3.2
133.01414	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
60.38863	0.8
62.10490	0.7
69.50702	2.1
69.51133	3.5
71.01382	79.7
72.01736	1.9
72.99310	18.1
87.00888	1.4
89.02445	8.2
115.00375	100.0
116.00695	3.2
133.01424	16.5
133.02946	1.1
144.48579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
52.06666	0.7
57.03437	3.8
59.01376	3.3
69.38989	6.6
71.01385	100.0
72.01712	2.6
72.99310	12.8
82.40761	0.8
87.00883	28.9
87.04520	7.4
89.02438	8.4
98.19926	1.8
109.12592	0.8
115.00380	60.7
116.00716	2.8
133.01442	11.3
133.05070	29.6
151.20219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01371	3.4
62.83872	0.9
67.03246	0.9
69.97361	4.0
71.01379	100.0
72.01730	3.3
72.99307	11.0
87.00871	30.0
87.01387	1.8
87.04506	6.1
88.01247	0.8
89.02441	9.7
98.19942	0.8
103.42460	0.7
107.03642	1.7
115.00368	57.2
116.00712	2.3
132.86765	1.4
133.01402	10.4
133.05069	31.4
133.06081	1.6
134.04738	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	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12450	0.6
54.22879	0.6
57.01946	0.7
72.99300	0.6
75.00879	5.2
89.03932	0.7
91.05512	0.8
92.02539	1.2
92.52744	0.7
93.03461	1.6
99.92591	7.7
106.04251	2.6
107.03644	4.6
107.05023	5.6
108.02154	1.4
116.00726	0.9
117.03455	1.0
120.05734	0.7
123.04436	0.8
133.02968	2.0
134.03725	24.1
134.04735	11.6
134.86566	17.8
134.89471	100.0
135.04521	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
55.71859	0.6
59.01360	1.2
61.35524	0.6
65.01440	1.3
69.19150	6.1
69.45739	0.6
70.94304	0.6
72.01720	0.6
72.99297	1.2
75.00869	7.5
82.23387	0.7
92.02539	9.9
100.09896	0.6
107.03634	37.2
108.03994	0.9
132.39273	0.7
134.04726	100.0
134.86517	1.3
135.02951	1.4
135.04483	3.6
135.05247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60596	0.4
53.23056	0.5
55.01868	0.8
57.88349	0.4
58.00578	0.5
59.01382	9.3
70.60091	1.0
70.60457	1.1
71.01379	4.2
72.99312	15.1
73.99612	0.6
75.00874	100.0
76.01210	1.4
77.58566	0.6
87.00874	0.9
89.02444	5.0
117.01940	2.8
135.03004	21.0
136.03333	0.9
137.86066	0.5
147.82637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Threonate
Peak:m/z	Relative Intensity
52.60596	0.4
53.23056	0.5
55.01868	0.8
57.88349	0.4
58.00578	0.5
59.01382	9.3
70.60091	1.0
70.60457	1.1
71.01379	4.2
72.99312	15.1
73.99612	0.6
75.00874	100.0
76.01210	1.4
77.58566	0.6
87.00874	0.9
89.02444	5.0
117.01940	2.8
135.03004	21.0
136.03333	0.9
137.86066	0.5
147.82637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
51.73265	0.4
59.01374	0.5
64.95174	0.4
68.36385	0.4
69.60394	2.4
72.99299	0.6
75.00877	5.3
82.00582	0.4
91.05520	0.5
92.02682	1.6
92.05059	1.1
93.03461	36.8
94.03789	1.8
95.01380	3.3
106.00562	0.4
106.04238	0.6
107.05035	3.4
108.02173	17.2
108.05370	0.5
109.02496	0.8
117.03446	0.7
120.02200	0.5
123.00927	0.5
134.03754	4.8
134.86530	1.8
134.89484	3.2
135.04527	100.0
136.01663	4.2
136.04863	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	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
59.20547	0.7
70.34896	2.3
84.74906	0.8
89.03977	1.7
91.05547	0.9
93.03468	0.8
106.04247	1.5
107.05027	5.6
108.05342	0.8
109.37888	0.9
117.03468	1.8
134.03723	20.1
134.86534	1.5
135.04518	100.0
136.04843	6.6
141.95427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0404
Annotation	salicylamide
Peak:m/z	Relative Intensity
52.16415	0.8
64.01908	3.2
65.03977	3.8
65.04284	0.9
70.24624	3.1
75.00864	1.1
75.08247	0.8
76.01218	0.9
81.03445	2.9
91.01903	1.2
92.05070	6.7
93.03455	97.4
94.02977	1.5
95.01394	1.1
99.92612	1.1
107.04988	1.1
108.02180	10.1
108.04605	1.4
108.05362	2.4
109.02954	10.3
119.05023	2.0
122.03689	1.4
135.04060	2.4
135.89510	5.3
136.01724	11.9
136.04025	100.0
136.04880	8.7
136.86275	10.0
136.89160	14.1
137.02441	85.8
137.04341	4.0
137.06024	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	1.0
69.84352	1.3
70.74628	0.2
81.03464	4.0
91.01891	0.9
93.03471	3.2
95.01367	0.4
108.02178	6.1
109.02967	4.2
110.03291	0.4
119.01392	1.8
136.01669	12.9
137.02449	100.0
138.02785	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	137.0244
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.14766	0.3
50.54258	0.2
65.03950	1.0
69.17767	1.3
69.18198	1.3
81.03448	4.5
83.80447	0.3
91.01901	1.7
92.87887	0.3
93.02866	0.7
93.03453	12.8
94.59653	0.3
95.01378	0.5
98.20682	0.6
108.02163	8.8
109.02959	7.2
109.51932	0.3
110.03288	0.4
113.38819	0.3
119.01370	1.8
122.03810	0.3
129.41016	0.4
136.01653	13.4
136.86266	0.5
137.02440	100.0
138.01947	0.6
138.02812	5.0
143.39622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36211	0.3
65.03951	1.0
69.39157	2.4
69.39545	0.5
81.03455	3.6
91.01891	1.1
93.03458	3.5
98.19906	0.6
108.02165	6.3
109.02959	3.8
111.97515	0.3
119.01393	1.5
136.01662	12.3
137.02443	100.0
138.02779	4.8
159.56609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0608
Annotation	3-Methoxybenzyl alcohol
Peak:m/z	Relative Intensity
52.72218	1.7
57.49520	1.5
68.45868	1.2
71.34708	1.9
77.03960	14.5
81.03436	1.7
81.86150	1.3
93.03450	28.9
93.53427	1.3
95.05020	32.7
96.05392	1.6
98.87010	1.4
105.03443	5.7
107.05030	57.4
108.02146	4.3
108.05360	3.5
109.02937	2.5
121.02927	4.8
123.04519	100.0
124.04853	4.8
136.01665	3.1
137.02449	35.9
146.76489	1.4
149.02472	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.10600	0.3
69.69876	1.3
69.70287	0.7
94.03736	0.5
95.01397	0.6
98.20605	0.5
108.02168	76.7
109.02510	4.3
111.00856	1.1
127.19704	0.4
138.01964	100.0
139.01538	0.4
139.02330	4.5
139.03976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0559
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
55.01865	2.8
62.01733	0.9
67.01894	2.1
68.21568	1.0
69.55422	5.2
69.55841	2.1
71.01387	1.2
83.01392	2.0
93.03460	3.3
94.02971	1.9
94.03787	5.2
95.05010	1.2
108.02148	5.7
111.00877	12.7
123.03258	73.6
124.03580	2.7
137.01991	1.5
138.01880	8.0
138.02890	7.5
138.05598	100.0
139.00349	4.5
139.04010	7.2
139.05946	4.7
141.54843	1.2
145.34543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0039
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
58.83320	3.3
64.19504	3.1
65.59750	2.9
67.01887	100.0
68.68555	3.1
68.99814	43.8
70.15911	14.0
79.95739	9.8
83.04509	3.4
85.27025	3.6
94.98080	12.1
95.01371	28.5
111.00880	7.2
138.93692	4.7
139.00412	4.2
141.92142	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	139.0401
Annotation	Epoformin
Peak:m/z	Relative Intensity
50.86312	2.8
55.01841	2.9
55.76992	2.7
65.45393	3.3
67.01893	7.8
69.14996	24.3
69.15409	6.8
83.01379	4.5
87.89832	3.0
93.03453	59.1
111.00887	10.3
116.11227	2.8
121.02953	50.0
124.01683	3.8
127.94554	3.6
130.90398	3.9
139.00342	6.6
139.02911	6.2
139.04010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0402
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
55.01866	2.5
65.03964	2.6
67.01882	4.1
67.77480	0.9
70.82301	2.2
70.82617	1.1
76.41286	1.1
83.01411	1.3
91.50477	1.0
92.56764	1.1
93.03462	63.0
94.03781	3.4
95.05003	1.5
100.09619	1.0
107.76380	1.0
111.00890	6.9
121.02962	45.4
121.40481	0.9
122.03261	3.0
124.01662	3.0
125.39413	0.9
137.02473	1.5
139.00398	3.0
139.04016	100.0
140.04387	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	139.0403
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
65.03967	1.4
67.01881	2.7
69.38468	8.0
93.03465	53.9
94.03791	2.2
111.00900	2.6
121.02959	38.4
122.03322	2.1
124.01673	1.0
137.02388	1.2
139.04022	100.0
140.04379	3.6
156.95105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0718
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
55.01880	1.0
68.99827	1.9
69.03455	1.6
69.80446	0.6
69.93214	0.8
69.95635	1.6
69.96024	1.4
73.68565	0.6
73.69930	0.6
77.25128	0.7
83.01432	0.6
85.02951	1.7
95.01373	1.1
97.02989	0.8
98.19933	0.8
107.68919	0.7
117.31013	0.6
140.07181	100.0
141.01952	2.7
141.07541	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	25.3
59.01376	10.5
63.19735	4.0
63.56125	3.2
68.99818	6.2
70.66154	8.3
70.66468	3.8
71.01389	49.1
75.18569	3.6
80.99795	8.2
81.45634	3.4
85.02974	4.5
87.00878	9.6
96.99332	36.2
111.21016	3.9
112.98824	39.5
115.00378	7.3
124.98814	79.2
140.98317	15.8
142.99867	100.0
154.83459	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	30.3
56.66286	3.8
59.01374	13.0
59.89874	4.4
67.01894	5.0
68.88388	3.9
68.99813	7.2
70.65646	4.4
70.66010	10.1
71.01380	52.2
80.99814	7.8
85.02974	7.0
87.00862	13.0
96.99297	34.3
99.04517	9.6
102.81572	4.0
111.00882	8.3
112.98798	44.2
115.00394	5.6
124.98799	79.3
140.98270	16.2
142.99858	100.0
144.00218	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	25.0
59.01365	9.2
65.65956	3.2
66.35934	3.1
68.99825	8.7
70.06268	13.7
71.01378	45.6
72.99275	3.1
74.81762	3.1
75.44221	3.3
80.99827	9.0
83.29515	3.1
83.99791	3.5
85.02925	3.9
87.00887	16.2
89.92387	3.0
96.99309	30.0
98.20614	4.6
112.98805	37.8
115.00388	6.7
124.97948	5.4
124.98795	75.4
125.99143	3.9
134.14937	3.2
140.98274	14.4
142.99858	100.0
144.00201	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	143.0713
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
52.99509	0.9
57.03446	100.0
58.03781	2.6
70.84891	2.0
71.01388	1.2
83.05032	3.8
85.06100	1.0
97.10329	1.0
99.08154	91.2
100.08500	3.9
103.64513	1.2
137.38438	0.9
142.99892	1.8
143.07150	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99859	0.5
71.01367	0.5
71.26041	0.9
83.05013	0.5
89.00705	0.4
101.76698	0.4
102.03497	1.4
116.05085	0.9
117.03466	0.5
144.04561	100.0
145.04909	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	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
57.03443	9.3
59.01377	15.7
61.03165	3.8
69.30411	30.2
71.01388	43.1
72.99306	11.2
73.02956	12.4
74.02457	5.1
79.39439	3.4
83.01394	15.9
84.04530	6.8
86.75684	3.4
87.00878	29.7
90.41835	3.5
98.20618	6.0
101.02424	26.7
102.05610	100.0
112.28562	4.1
115.00373	22.7
127.00385	14.5
128.03534	39.7
145.01427	16.1
146.04555	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
57.03443	14.4
60.99409	1.8
69.34888	13.8
83.05050	9.4
91.35735	1.8
99.08157	100.0
100.08514	4.3
127.07635	3.0
145.08710	33.0
146.08994	1.9
153.17940	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	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.6
59.01350	1.7
71.10526	4.1
72.26820	2.0
83.05019	9.6
99.08154	100.0
100.08478	3.6
101.06066	2.9
127.07680	5.4
145.02971	2.2
145.05072	2.3
145.08701	31.5
146.02431	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
57.03452	17.1
60.19183	1.5
77.42997	1.6
83.05009	5.5
96.58798	1.4
98.19949	4.2
99.08153	100.0
100.08478	4.3
113.99625	1.4
127.07612	3.6
145.08717	33.6
146.09041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
97.06591	2.6
98.72813	0.8
99.04591	0.9
99.08153	100.0
99.35912	0.8
100.08498	3.8
101.06099	1.1
105.63511	0.7
117.18110	0.7
120.66379	0.7
122.67844	0.7
127.07606	0.9
143.07135	0.8
145.04982	0.9
145.08694	33.1
146.02483	2.7
146.09055	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
56.95681	1.1
57.06861	0.9
58.16636	0.9
59.01374	7.8
61.63785	0.8
71.01383	8.4
71.48546	0.9
71.48993	1.5
74.02467	1.6
75.00871	2.7
78.76548	0.9
83.01364	1.0
84.04548	1.2
85.02956	2.9
87.00874	1.5
95.85865	0.8
95.92369	0.9
99.00886	2.7
101.02398	1.2
102.05606	100.0
103.05972	3.0
123.12416	0.9
128.03540	38.9
129.03888	1.0
146.04585	11.5
146.86699	1.1
147.03052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
52.99385	1.3
57.03443	18.5
59.01379	6.1
69.80683	6.4
71.01378	56.4
85.02946	60.8
86.31940	1.6
87.00871	100.0
88.01196	3.1
101.02435	4.1
103.04009	15.9
103.85986	1.3
115.00366	58.8
128.28914	1.6
129.01947	14.1
147.02995	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	147.0301
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
50.35165	1.9
52.87683	2.2
57.03448	29.5
58.23847	2.0
59.01376	12.9
63.74728	2.0
70.91885	3.2
70.92207	3.1
71.01386	71.1
71.05016	5.2
72.01687	2.4
72.99310	2.2
73.02959	6.5
75.60058	2.2
81.22253	2.0
85.02953	100.0
87.00345	4.2
87.00879	85.4
101.02441	25.0
101.06085	12.4
101.21474	2.1
103.04015	23.9
115.00382	57.5
129.01959	12.1
147.03038	19.2
147.06628	29.7
154.51833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.77723	8.2
58.56813	8.4
58.57149	8.2
59.01377	27.5
69.55727	53.2
71.01366	31.9
99.00912	11.1
103.05532	35.6
115.00365	10.7
119.04999	28.1
119.46474	9.4
136.58583	10.3
147.03264	11.9
147.04506	100.0
165.06596	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	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
57.03437	0.6
58.00595	0.6
59.01384	10.3
69.03460	2.7
69.03788	0.6
69.72601	1.9
69.73026	1.4
70.95155	0.5
71.01387	30.9
72.01730	0.8
72.99310	2.3
73.02950	22.9
73.77884	0.5
75.00878	8.6
85.02955	2.5
87.00880	12.1
89.02448	100.0
90.02785	2.3
101.02451	1.6
103.04011	5.6
110.27947	0.5
114.83302	0.5
117.22348	0.5
120.13646	0.5
128.49138	0.5
131.03513	9.5
149.04556	31.2
150.04936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00595	0.6
59.01384	10.3
69.03460	2.7
69.03788	0.6
69.72601	1.9
69.73026	1.4
70.95155	0.5
71.01387	30.9
72.01730	0.8
72.99310	2.3
73.02950	22.9
73.77884	0.5
75.00878	8.6
85.02955	2.5
87.00880	12.1
89.02448	100.0
90.02785	2.3
101.02451	1.6
103.04011	5.6
110.27947	0.5
114.83302	0.5
117.22348	0.5
120.13646	0.5
128.49138	0.5
131.03513	9.5
149.04556	31.2
150.04936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
60.47401	0.3
60.84080	0.2
63.03139	0.2
65.00328	0.5
66.03474	0.6
68.18139	0.3
69.03481	0.3
81.03460	0.3
81.07100	0.9
83.05025	0.4
88.07517	0.2
90.42476	0.2
90.83975	0.3
93.03470	0.8
94.04240	0.4
98.20692	0.4
105.61873	0.3
106.25404	0.3
108.02177	1.1
108.04539	0.4
109.02951	5.9
109.06602	1.7
110.00107	0.7
110.02480	0.4
121.02955	1.8
122.03741	43.5
123.03980	1.6
137.01976	0.3
137.99640	0.3
138.03230	3.5
139.04015	0.9
152.03532	100.0
153.02011	1.5
153.03880	3.9
153.05569	7.7
153.06761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9954
Annotation	Hydroxyacetone phosphate
Peak:m/z	Relative Intensity
65.00319	1.7
68.99841	0.9
69.03490	0.6
69.18833	5.8
75.96597	0.6
78.95900	100.0
80.18234	0.5
81.03442	1.6
81.07098	1.4
83.01348	0.6
83.05023	1.3
85.16906	0.7
93.03464	1.1
94.04256	0.5
96.96958	8.7
98.19949	1.4
107.66963	0.6
108.02158	3.3
109.02946	32.8
109.06546	3.1
110.00090	2.7
110.03294	1.1
121.02983	1.1
122.48016	0.5
123.04536	0.9
125.02434	1.2
127.07600	0.7
135.04514	0.8
137.99590	1.6
138.03229	6.0
139.03958	0.9
150.87434	0.6
150.98004	2.9
151.00391	0.8
152.99576	68.9
153.01872	7.9
153.05550	13.7
153.86835	2.8
153.99971	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	153.0556
Annotation	2,6-DIHYDROXY-4-METHOXYTOLUENE
Peak:m/z	Relative Intensity
65.00320	2.2
65.03951	1.2
65.84207	0.6
66.03486	0.7
67.03807	0.6
68.99812	1.0
69.03450	1.4
79.05512	3.1
81.03464	1.5
81.07094	13.1
83.01408	1.1
83.05026	8.6
93.03458	6.7
94.04251	4.0
95.53009	0.6
97.02914	0.7
98.20611	1.5
108.02158	2.8
108.15963	0.8
109.02952	27.2
109.06586	26.9
110.00124	1.2
110.06908	1.7
121.02962	6.0
121.55487	0.6
123.04523	7.0
125.02431	1.4
125.06102	3.6
127.07669	7.3
135.04546	2.4
137.99609	1.9
138.03229	52.1
139.04077	6.5
151.00310	1.4
153.01997	7.6
153.05571	100.0
153.09195	1.8
154.05965	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	153.0556
Annotation	2,6-DIHYDROXY-4-METHOXYTOLUENE
Peak:m/z	Relative Intensity
50.16009	0.7
68.99800	0.7
69.22292	7.4
71.69652	0.8
75.90760	0.7
77.93578	0.8
79.05525	3.6
81.07095	15.9
83.05016	9.3
91.05528	1.0
93.03444	2.3
94.04248	4.5
103.82499	0.7
109.02955	6.4
109.06593	25.1
109.45503	0.7
110.00068	1.4
110.06865	0.8
111.05655	0.9
121.03008	1.7
125.02386	0.8
125.06059	3.2
127.07655	9.8
138.03226	51.9
139.03815	1.8
153.01985	2.1
153.05571	100.0
154.05911	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	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.67983	0.6
65.03956	0.7
67.01876	1.9
69.73572	0.9
69.73981	1.9
74.88531	0.5
93.03455	62.3
94.03788	1.8
108.02110	1.4
109.02932	0.9
121.02951	72.5
122.03165	1.3
122.03801	1.6
123.04521	68.7
124.04849	2.7
137.02426	1.4
139.04008	100.0
140.04356	3.7
153.05573	21.1
154.05904	1.0
161.02306	0.7
165.01944	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	153.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28180	1.0
65.00301	2.1
68.99833	1.3
79.05527	2.8
81.03442	1.7
81.07093	14.0
83.05011	8.3
93.03463	5.2
94.04225	5.1
96.08212	1.4
100.61620	1.6
104.32095	1.2
108.02191	1.8
109.02947	19.3
109.06590	24.5
110.00092	2.3
111.88645	1.3
121.02934	4.5
123.04534	6.1
125.06093	2.9
125.15060	1.3
127.07652	7.8
127.91406	1.3
135.04521	1.7
137.99620	2.2
138.03227	51.8
139.03932	4.9
150.02139	1.5
153.01979	6.0
153.05569	100.0
154.05928	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	155.0715
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01878	33.5
57.03455	5.5
58.00595	18.7
58.02995	2.2
59.01379	71.4
59.18434	2.1
65.00343	3.2
67.01884	9.3
68.99821	5.6
69.03455	6.4
71.01382	24.2
71.05020	5.3
71.48555	4.3
72.02165	7.7
72.97053	2.0
72.99300	10.3
80.02680	4.7
81.03464	5.2
83.01385	31.6
83.05020	25.7
84.00900	2.8
84.02155	12.4
84.04549	7.0
85.02953	11.6
85.06588	4.5
86.00098	22.7
86.04528	2.2
91.05598	3.2
93.03468	11.4
95.01397	4.5
95.05021	62.6
97.02955	3.1
97.06586	24.5
99.00879	5.2
99.04488	4.6
99.08157	53.7
99.92586	3.3
100.01678	2.5
107.05029	100.0
108.02179	8.7
108.05374	5.4
109.02969	3.9
109.06603	11.6
110.00076	3.9
110.87525	2.1
111.00882	13.1
111.04538	17.9
111.08173	5.7
112.01671	10.2
112.04058	12.9
112.07592	2.2
113.02454	4.3
113.06095	21.9
113.78661	2.1
114.05612	26.8
116.67547	2.1
125.06092	34.8
127.00399	19.0
127.03999	4.6
127.07656	52.0
137.02435	5.9
137.06105	13.5
140.01154	16.3
144.00623	8.7
154.99858	30.7
155.03615	12.6
155.07144	32.3
155.08267	3.8
155.86592	9.6
156.06653	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	158.0459
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01882	0.6
56.01398	0.5
57.03450	8.3
58.02985	0.4
59.01373	0.6
65.63484	0.3
69.03453	0.9
71.01381	0.9
71.05014	0.4
71.37483	0.6
73.02940	0.5
75.67747	0.3
78.01973	0.3
81.76100	0.5
82.03008	0.5
83.01376	1.3
84.04063	0.8
84.04551	10.0
85.02964	3.1
86.06119	89.6
87.06451	1.8
96.04587	0.5
97.02949	1.4
99.00832	0.5
101.02451	0.9
111.46223	0.4
112.04051	100.0
113.02483	0.9
113.04387	2.5
114.05611	17.4
115.04012	2.0
115.05953	0.7
141.01959	0.8
158.03276	0.9
158.04587	15.3
158.08211	0.7
159.02985	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	158.0822
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
55.01883	0.8
57.03440	4.1
58.02982	2.1
59.01377	1.0
59.49770	0.3
63.56327	0.3
64.72610	0.3
69.03456	0.7
69.74049	1.2
69.74438	0.7
71.01380	1.8
71.05038	0.4
72.99315	0.5
73.02950	1.2
73.98254	0.3
83.01392	1.1
84.04545	2.7
85.02927	1.8
86.06111	23.4
87.00888	1.0
87.06434	0.6
95.05042	0.4
97.02940	0.8
99.00887	0.8
101.02436	0.8
111.00858	0.7
112.04046	27.7
113.02437	1.0
113.04398	0.7
114.05592	5.6
114.09238	6.3
115.04044	1.7
116.07172	100.0
117.07533	2.2
129.01920	0.4
141.01981	0.4
141.89035	0.3
158.04602	5.8
158.08217	13.2
158.89305	5.6
159.02994	4.1
159.04387	0.7
159.06567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
57.03430	0.6
59.01381	5.7
60.15146	0.4
70.81292	0.6
70.81638	0.8
71.01380	1.7
71.05020	33.1
72.05355	0.7
73.02944	2.0
73.49294	0.4
83.01395	0.5
85.02956	1.9
87.00880	1.2
97.02905	0.4
99.04518	44.1
100.04895	1.0
101.02441	100.0
102.02784	2.1
115.03983	2.6
117.05575	7.9
131.03459	1.1
143.03506	11.1
161.04556	33.7
162.04898	1.1
167.38054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Oleandrose
Peak:m/z	Relative Intensity
57.03452	1.4
59.01371	5.4
59.88805	1.0
64.48100	1.0
64.71325	0.9
69.03447	1.4
71.01383	19.9
71.05019	37.6
73.02946	3.3
81.03480	1.5
81.70930	1.1
83.01416	1.4
85.02953	7.9
87.04515	24.2
89.02431	1.4
90.62093	1.1
99.04517	99.2
100.04858	2.2
101.02421	1.4
101.06113	1.1
115.04012	61.5
115.07650	14.6
116.04352	1.8
117.05572	36.1
118.05946	1.0
125.64228	1.2
131.03508	3.5
142.84593	1.0
161.02486	2.8
161.04559	3.5
161.08188	100.0
162.08542	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	161.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30439	1.0
59.01376	3.0
62.86172	0.9
66.05585	1.0
66.91737	1.0
69.03458	1.1
71.01379	18.1
71.05016	32.4
81.03464	1.6
85.02951	5.1
87.04509	22.9
90.17815	0.9
99.04517	98.6
100.04837	1.9
101.06081	1.6
103.59230	1.1
113.06062	1.0
115.04012	53.8
115.07650	12.3
117.05576	36.9
129.43282	0.9
131.03514	1.7
161.02415	1.2
161.04547	2.9
161.08186	100.0
162.08499	2.4
164.78441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.31794	0.2
58.00405	0.1
69.72926	0.9
70.97647	0.2
77.18547	0.2
79.09540	0.2
85.02954	0.2
91.01867	0.3
91.05548	1.3
93.03462	1.4
98.19957	0.3
100.62518	0.2
101.02448	0.2
104.96140	0.2
117.03500	0.2
119.05032	100.0
120.04539	0.4
120.05355	3.4
121.03008	0.3
135.04543	0.3
163.00400	0.3
163.04019	6.1
175.88783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67469	0.2
69.86800	1.1
91.05547	0.2
93.03443	2.3
98.15449	0.2
99.71528	0.2
117.03505	0.5
119.05023	100.0
120.05344	3.4
133.46593	0.3
135.04495	0.3
137.12733	0.2
147.04503	0.2
150.20815	0.2
163.04005	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45182	0.3
59.40910	0.3
62.88292	0.3
65.03590	0.3
71.45026	0.4
89.03944	0.3
93.02927	0.3
93.03448	2.2
96.85412	0.3
103.09339	0.3
119.05019	100.0
120.05341	3.7
132.95259	0.4
138.94093	0.4
163.03993	6.8
163.05270	0.6
163.07620	0.5
171.28035	0.4
178.56937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.15795	0.2
57.43133	0.2
59.87855	0.2
60.45732	0.1
70.02014	0.6
91.05529	0.3
93.03455	1.1
95.98600	0.1
117.03436	0.2
119.05022	100.0
120.04556	0.3
120.05345	3.6
120.10911	0.2
149.71243	0.2
163.03998	7.0
163.07591	0.4
164.04352	0.2
167.26746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91404	0.1
59.01369	0.2
60.26382	0.2
61.04137	0.2
69.47723	0.6
69.48142	0.6
79.49433	0.2
87.99914	0.2
91.05541	0.2
93.03466	1.3
101.02486	0.3
119.05025	100.0
120.05354	3.7
121.02981	0.4
135.04536	0.2
142.59525	0.2
147.04520	0.2
148.05302	0.6
163.00430	0.3
163.04004	6.1
163.07625	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01369	0.4
70.84628	0.8
70.84982	0.4
71.01385	0.5
91.01903	0.5
91.05527	0.4
92.26415	0.4
93.03448	1.3
101.02451	0.8
119.05022	100.0
120.05358	2.9
121.02953	1.1
135.00923	0.5
148.05260	0.5
162.83981	0.5
162.89293	0.4
163.00337	1.3
163.02745	0.7
163.03999	7.9
163.05214	0.4
163.06155	0.6
163.07651	0.8
167.06841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13592	0.2
51.49530	0.2
54.63654	0.2
59.01386	0.3
63.89991	0.2
69.51450	1.3
85.02950	0.2
93.03453	1.6
106.95863	0.2
117.03435	0.3
119.05026	100.0
120.05360	3.4
121.03037	0.3
135.00914	0.2
162.89378	0.3
163.00349	0.4
163.04001	8.8
163.07617	0.5
164.04367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.54261	0.3
59.92293	0.2
70.78349	0.8
71.01342	0.4
85.02959	0.3
91.01928	0.4
91.05491	0.3
93.03473	1.5
96.84390	0.3
101.02422	0.5
119.05022	100.0
120.04558	0.3
120.05362	4.0
121.02953	0.8
129.95567	0.3
155.78137	0.3
162.83862	0.4
162.89296	0.7
163.00360	0.8
163.04007	6.9
163.05249	0.5
163.06146	0.4
163.07597	0.3
176.80049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
61.51509	1.1
61.98820	3.9
67.77003	1.6
69.50121	8.5
73.02957	1.2
75.35130	1.2
81.00865	1.4
91.99586	1.2
98.19910	2.6
99.68709	1.4
101.02438	2.0
116.92091	4.3
119.05022	47.3
120.05420	1.5
163.00340	3.0
163.03999	3.7
163.06158	1.9
163.11278	100.0
164.11594	5.0
174.84486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
71.26242	1.2
72.00910	37.7
85.69264	0.7
87.00889	1.0
89.44938	0.6
91.05547	2.4
103.05540	7.0
119.05012	1.8
119.87565	0.5
120.05402	1.0
121.02956	1.4
122.10780	0.7
141.13741	0.7
146.06151	1.5
147.04524	100.0
148.04854	3.7
164.07169	43.8
165.07468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.60627	0.8
59.01379	47.6
65.00315	3.1
69.74840	4.6
75.00875	1.5
77.03951	2.8
84.45395	1.0
87.00881	1.6
90.49422	0.8
93.03456	37.4
105.01956	1.3
107.05025	1.9
109.02929	1.1
119.05029	7.8
121.02954	48.4
121.05713	1.7
121.06593	33.2
122.03288	1.3
122.06974	0.9
123.04588	0.9
133.50500	0.8
135.04575	1.4
137.02411	4.0
140.43573	0.9
147.04533	1.8
149.00948	3.5
150.03209	4.0
164.83606	3.9
164.89526	1.6
165.01877	6.9
165.05565	100.0
166.05933	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	165.0555
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.05309	1.3
59.01377	50.0
65.00315	2.6
69.50261	5.1
69.50696	4.6
74.22110	1.4
75.00856	1.7
75.34089	1.2
77.03959	1.3
87.78555	1.3
93.03453	35.4
95.37089	1.2
107.05039	2.2
119.05036	8.1
121.02952	42.0
121.06590	29.8
121.89725	1.3
137.02403	2.9
146.60194	1.4
149.00894	2.9
150.03185	2.4
164.89563	2.6
165.01962	6.5
165.05557	100.0
166.05983	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.90986	1.4
59.01376	46.0
65.00311	4.2
70.51399	3.5
74.31090	1.1
75.00850	2.7
76.11436	1.1
77.03952	3.2
79.39928	1.1
84.95979	1.1
87.00877	3.3
92.99846	1.7
93.03455	40.0
98.69028	1.1
105.01952	2.1
107.05033	2.4
108.04556	1.1
109.02965	1.8
119.05033	7.8
121.02951	71.1
121.05708	1.8
121.06591	30.3
122.03729	2.6
123.00877	1.2
123.04527	2.0
135.04500	3.7
136.98755	1.3
137.02443	5.2
137.06094	1.7
147.04536	2.3
149.00911	3.7
150.03215	8.2
164.83604	5.9
164.89560	2.1
165.01912	10.5
165.05554	100.0
166.06024	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	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.01866	1.4
57.03436	3.0
59.01377	1.5
65.00311	3.2
65.03970	1.6
67.01894	6.0
68.99821	3.9
69.03441	9.9
71.01378	4.9
71.05013	1.9
72.99279	2.4
78.95882	1.2
79.05547	2.8
80.02671	5.8
80.96511	2.5
81.03448	5.0
82.02944	1.2
83.01361	2.4
83.05026	6.1
84.02169	5.1
85.02945	10.7
87.00798	1.4
91.01893	4.2
93.03451	6.6
93.07108	2.7
95.01384	21.1
95.05020	13.4
95.20243	1.2
97.02938	14.3
97.06586	18.5
98.03717	7.5
98.06886	1.4
99.04533	1.3
105.07102	6.7
106.04235	3.1
107.05042	3.3
108.02171	50.0
108.04541	2.8
109.02956	4.0
109.06582	15.5
110.03717	7.6
111.00887	4.2
111.04502	3.4
111.08147	40.9
112.01662	20.1
112.08460	1.8
121.02961	9.5
121.06593	22.0
122.03739	6.6
122.06026	1.4
123.00877	12.6
123.04518	57.6
123.08149	12.3
124.01658	34.1
124.04059	1.6
124.05319	3.3
124.07684	1.6
125.02444	9.0
125.06068	2.7
131.04997	2.1
132.86768	1.1
134.03760	3.8
134.91313	1.2
137.02475	4.1
137.06065	4.8
137.07065	1.3
138.03188	3.1
138.05708	1.3
138.06877	1.9
139.00357	2.5
139.04047	7.1
139.07648	100.0
140.08017	3.6
149.02399	4.5
149.06071	58.7
150.06439	2.4
152.01144	89.0
152.04756	3.8
153.01521	3.8
167.03470	44.6
167.07133	61.6
167.91930	1.2
168.03885	1.5
168.06593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1076
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
51.17482	0.5
66.79093	0.5
71.50533	0.8
72.32631	0.5
91.01897	0.6
95.01402	1.2
108.02176	5.1
114.83247	0.6
123.00886	1.3
123.04525	4.9
125.02431	1.0
152.01138	10.2
167.03496	4.7
167.10764	100.0
168.03706	0.6
168.11098	4.5
188.76268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30516	0.2
58.02975	100.0
59.03314	0.7
61.98820	0.3
68.99824	0.3
69.03440	0.2
70.02990	0.6
71.22736	0.2
71.50293	0.4
97.02957	0.3
122.89426	1.2
125.02437	4.2
132.86821	0.9
151.11305	0.5
153.01495	0.5
168.13908	7.6
168.83603	0.3
168.99075	0.3
169.01479	1.5
169.12370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.80563	0.3
61.98844	1.3
63.74152	0.4
63.74485	0.3
65.00328	0.8
67.01897	1.1
67.73788	0.3
68.99806	3.3
69.03452	5.9
69.17592	1.3
69.18014	1.7
71.01383	0.5
79.01876	1.5
81.03438	2.5
83.01406	1.3
86.22265	0.3
95.01391	1.8
96.96031	1.1
96.99326	1.6
97.02950	6.2
97.06613	0.5
98.02486	0.5
107.01384	1.4
122.89426	7.0
123.00877	1.1
124.01668	1.5
125.02442	100.0
126.02002	0.5
126.02792	3.0
132.86792	6.8
134.86536	20.6
151.00362	2.6
168.98959	3.1
169.01408	28.1
169.83376	3.4
170.01830	0.7
180.72018	0.3
182.07520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99992	0.3
56.68345	0.3
57.03443	0.6
57.33202	0.3
59.01381	0.4
63.69809	0.3
65.00327	1.2
68.99815	0.6
71.01402	0.4
71.50901	0.5
83.01421	0.4
83.05035	1.3
99.00893	1.0
99.08186	0.3
105.10242	0.4
109.06596	0.6
111.08146	0.9
125.09713	0.5
127.00407	0.3
127.07646	100.0
127.11275	1.4
128.07979	2.9
130.08736	0.4
144.04549	0.4
152.98302	0.6
153.09209	0.8
171.01967	1.9
171.04459	0.8
171.06657	7.9
171.08018	1.3
171.10245	15.5
171.13884	2.6
172.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03000	0.2
71.50224	0.4
83.60753	0.2
83.81873	0.2
95.56858	0.2
111.00986	0.3
127.07653	100.0
128.07994	3.2
128.10840	0.7
130.08733	12.2
132.19302	0.2
140.23640	0.2
144.04568	0.3
162.60800	0.2
171.02005	0.3
171.04459	0.4
171.06627	8.1
171.08092	0.5
171.10251	3.1
171.13896	0.5
172.07059	0.3
172.09714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0659
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
60.27369	0.3
65.00321	0.6
71.50677	0.3
76.19578	0.4
83.05017	0.5
88.04599	0.4
106.78687	0.3
119.01324	0.4
125.09727	0.4
127.07645	100.0
127.34962	0.3
128.07942	3.2
130.08774	0.4
171.02025	1.0
171.04382	0.5
171.06625	7.7
171.10234	5.5
171.13896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0661
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
51.74398	0.6
52.08422	0.6
69.21140	6.3
84.32046	0.6
90.71655	0.7
100.09262	0.7
115.51163	0.6
127.07651	100.0
128.07991	2.7
143.92888	0.7
165.98653	0.7
171.04517	1.6
171.06642	6.6
171.10312	1.8
180.74344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
67.05476	0.3
69.29675	3.0
71.13841	0.3
99.84215	0.4
106.03427	0.3
124.05585	0.4
127.07649	100.0
128.07979	3.5
171.01936	0.5
171.06622	6.9
171.10228	2.8
177.07011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01385	0.6
61.19011	0.3
61.98817	0.7
65.00325	1.0
71.01385	0.5
71.50412	0.5
83.05029	0.3
99.00874	1.4
99.08205	0.4
99.92580	1.2
108.99245	0.3
109.06625	0.4
124.89144	2.0
125.09759	0.8
127.00385	0.6
127.07652	100.0
127.11282	1.1
128.07983	3.5
130.08768	0.5
158.49329	0.3
170.83305	2.1
171.01991	2.0
171.04427	0.7
171.05113	0.4
171.06631	7.7
171.10257	14.9
171.13928	2.1
171.91052	0.4
172.02391	0.3
172.03973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
53.20482	0.4
65.00298	0.3
69.59443	2.1
76.18507	0.3
79.40726	0.3
98.19978	0.7
100.29886	0.3
121.13506	0.3
127.07647	100.0
128.08003	2.8
134.46245	0.3
163.99123	0.4
171.02040	0.4
171.06621	8.3
171.10239	4.0
171.13951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.9
71.50069	0.7
71.50469	0.6
78.12309	0.5
82.22187	0.6
111.00905	0.6
111.80233	0.5
125.09757	0.8
127.07648	100.0
128.08028	2.9
147.83812	0.5
171.02005	1.2
171.06630	7.0
171.10255	10.3
171.13922	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	171.0661
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
67.72737	0.4
69.36628	2.6
70.04575	0.3
95.11081	0.3
96.10365	0.3
127.07652	100.0
128.07997	2.6
128.10803	0.4
130.08743	13.3
171.04460	0.5
171.06618	7.6
171.10280	4.0
171.13861	0.9
172.09755	1.7
181.65929	0.4
194.33636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01876	0.4
56.01440	0.2
57.03432	0.4
59.01355	0.2
61.98816	0.6
65.00325	0.8
69.64959	0.6
69.65391	0.6
71.01395	0.5
72.99306	0.2
83.05046	0.2
84.04475	0.2
84.80347	0.2
86.52276	0.2
89.02457	0.3
93.34580	0.2
97.06557	0.4
99.00884	1.1
99.08158	0.9
99.92590	2.6
109.02946	0.2
109.06611	0.4
111.00835	0.2
115.92062	0.6
122.67751	0.2
123.08149	0.4
124.89114	0.5
125.09731	3.0
127.07659	8.3
127.11298	7.5
128.08005	0.4
130.08740	0.3
134.86563	0.3
136.86269	0.3
144.04572	0.2
152.98300	0.2
153.09218	1.9
154.09686	0.2
164.36458	0.2
170.83296	0.5
171.02007	1.4
171.10266	100.0
171.13777	4.1
171.91100	0.3
172.10612	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03448	0.3
58.02975	1.6
59.01378	0.6
65.68315	0.3
67.01888	1.5
69.03471	0.4
69.79893	0.3
71.01385	0.8
71.50410	0.4
72.56551	0.3
74.15176	0.3
82.06615	0.6
85.02946	2.2
93.03448	6.2
99.00919	0.3
100.06580	0.3
110.76349	0.3
111.00890	1.2
111.04523	0.7
128.07965	0.9
128.10808	2.9
129.01892	0.5
130.08728	100.0
131.07114	0.7
131.09071	2.5
142.99771	0.4
144.04593	0.4
145.06587	0.5
172.09763	11.4
173.04506	0.8
173.05939	0.6
173.10143	0.3
176.03758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68758	0.2
53.63412	0.2
56.60954	0.2
57.03450	0.2
58.02982	1.5
66.95227	0.2
67.01890	1.5
69.03467	0.3
70.98750	0.3
70.99097	0.5
71.01357	0.5
82.06638	0.7
83.05022	0.3
85.02898	0.2
93.03456	4.5
93.04027	0.4
99.00904	0.3
111.00866	1.8
111.04510	0.4
128.07990	0.4
128.10812	2.8
130.08736	100.0
131.09093	2.1
141.73976	0.2
144.04533	0.6
145.02956	0.3
172.09770	11.6
172.51401	0.2
173.02248	0.3
173.04607	0.3
173.06023	0.5
192.22667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.12263	0.3
56.49130	0.3
57.03482	0.7
58.02974	2.1
59.01410	0.5
60.99358	0.4
67.01891	3.6
69.03501	1.0
71.01388	2.2
71.49936	0.6
72.99334	0.5
83.05033	0.5
85.02988	0.7
93.03460	14.5
99.00932	0.6
111.00903	2.5
111.04530	1.4
111.08188	0.9
117.07111	0.6
122.32474	0.4
127.07634	1.1
128.07993	6.6
128.10808	4.6
130.08739	100.0
131.09128	2.1
144.04607	2.8
145.02951	0.4
145.06555	1.3
172.03931	1.2
172.07771	1.9
172.09740	13.6
173.02312	0.5
173.04478	1.3
173.05865	0.6
173.08163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.4
55.01880	8.1
55.58047	1.0
57.03449	3.4
58.02964	2.4
59.01382	4.8
67.01891	2.8
68.99819	3.2
70.05660	2.3
70.06048	2.7
71.01379	100.0
72.99312	4.9
73.02949	6.2
75.84927	1.2
80.99829	2.9
83.01385	7.5
85.02938	6.1
86.47099	1.1
87.00887	8.1
92.65197	1.0
93.03442	5.7
96.99316	5.8
99.00877	40.6
100.07687	1.9
111.00877	8.7
111.04536	2.1
112.98809	25.6
115.00377	5.0
124.98808	37.2
128.07207	5.7
129.01939	1.3
131.08258	3.2
140.98308	3.1
142.99857	80.8
144.00192	1.9
154.99811	1.4
173.00891	12.8
173.09341	1.4
174.07732	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	173.009
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00291	2.8
55.01877	8.0
57.03436	3.4
58.02958	3.5
58.17450	0.8
59.01379	6.8
67.01879	3.6
68.99819	2.9
69.03434	1.0
69.55132	4.8
69.55552	2.0
71.01376	100.0
72.01707	0.8
72.99310	5.0
72.99686	0.8
73.02937	5.9
80.99823	2.0
83.01373	7.8
83.04982	1.1
85.02945	4.9
85.06603	5.0
85.07033	0.9
86.06126	1.5
87.00867	5.3
92.94675	1.0
93.03433	6.2
96.99287	6.0
98.19942	1.6
99.00880	33.0
100.07677	3.9
101.02430	1.1
111.00869	20.6
111.04503	11.1
112.98805	24.5
115.00355	4.6
124.72949	0.7
124.98802	34.4
125.99154	1.3
128.07158	7.6
129.01909	2.2
132.06711	0.9
140.98273	2.0
142.99852	65.5
144.00169	1.7
154.94659	1.2
154.99812	4.0
155.03499	6.2
173.00894	11.5
173.04562	4.2
174.07742	4.4
183.86484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0246
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03434	1.0
58.00586	1.4
59.01376	28.5
59.39602	0.5
67.01884	0.9
69.59772	3.7
71.01379	37.3
72.99308	4.2
73.02927	3.1
75.00880	0.6
83.01381	1.3
84.99321	0.6
85.02943	2.7
85.06570	0.9
87.00871	100.0
88.01192	0.7
99.00867	1.2
101.02429	0.8
112.98815	3.1
113.02472	1.1
115.00366	92.7
115.04018	1.3
116.00739	1.8
127.00365	1.6
131.05040	0.7
146.03799	0.8
147.04550	1.4
160.01500	0.8
174.88977	1.5
175.02490	22.2
175.03981	3.0
175.06146	1.0
175.07532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01857	0.6
57.03453	0.9
58.00579	1.0
59.01379	24.3
67.01887	1.1
71.01382	32.3
71.03851	0.7
71.04193	0.8
72.99314	3.3
73.02925	3.6
83.01379	1.8
85.02956	2.5
85.06587	5.0
87.00877	100.0
87.04493	0.8
87.70000	0.6
88.01209	1.4
99.00894	0.6
100.57575	0.5
101.02458	1.2
112.98792	1.8
113.02460	0.8
113.06091	4.1
115.00372	86.5
116.00699	1.7
127.00375	1.2
127.78307	0.5
175.02477	21.9
175.04005	1.2
175.06082	4.8
176.02818	0.5
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	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01863	0.8
57.03437	1.5
58.00597	1.0
59.01382	28.5
67.01884	1.5
69.62148	3.9
71.01386	35.4
72.99319	8.0
73.02938	3.9
75.73190	0.6
83.01387	1.6
85.02954	2.7
85.06597	2.7
86.00990	0.5
87.00882	100.0
88.01190	1.2
101.02429	0.7
112.98820	2.6
113.02411	0.8
113.06106	3.7
115.00378	99.7
115.04010	5.4
116.00735	1.5
118.33894	0.6
123.44724	0.6
127.00391	1.4
141.98688	0.7
147.04532	1.5
157.05069	0.7
168.18886	0.6
175.02498	21.8
175.03946	1.8
175.06076	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	175.061
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
56.61061	0.4
57.03443	1.1
59.01376	3.8
63.40398	0.4
64.99524	0.5
69.73856	2.4
71.01385	1.6
79.77453	0.4
85.06584	39.6
86.06897	0.5
87.00872	2.9
87.04525	1.5
113.06083	37.8
114.06434	0.9
115.00367	3.5
115.04005	100.0
116.04319	1.8
129.05573	1.7
131.07127	6.6
147.04486	0.4
150.04968	0.4
157.05048	7.8
175.06102	44.3
176.06465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01378	3.0
69.03448	2.4
69.47836	3.0
69.48250	2.7
70.71944	0.9
71.01389	4.5
83.05003	1.5
85.02952	25.9
85.06588	23.2
87.00877	7.8
95.05030	1.0
98.19883	1.6
101.06084	27.4
101.48763	0.9
102.06449	1.1
106.63844	0.9
113.06088	58.6
114.06400	1.5
115.00368	7.3
129.05583	46.9
129.09241	6.6
131.07143	29.7
147.04494	1.2
174.14481	0.9
175.02573	1.8
175.09747	100.0
176.10081	2.8
179.36891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.35334	0.3
63.48309	0.3
69.92928	0.9
69.93342	0.7
71.01397	0.4
73.24301	0.3
77.03967	4.2
79.01901	0.4
81.03449	2.2
89.03972	10.6
90.73110	0.3
93.03442	2.0
95.05024	5.5
105.03458	28.7
106.03783	0.6
107.01376	1.3
109.02917	0.5
121.02985	1.8
123.04511	1.4
132.02214	0.8
133.02956	56.5
134.03290	1.7
135.00883	0.9
139.04007	0.9
149.02429	4.1
162.03232	3.6
177.01923	100.0
178.02280	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	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45828	0.3
57.85144	0.3
71.27142	0.5
77.03973	1.9
79.01886	0.4
81.03457	2.2
85.06439	0.3
89.03965	9.7
90.04247	0.3
93.03429	1.6
95.05044	1.5
98.94477	0.3
105.03455	18.9
106.03802	0.5
107.01372	1.1
109.02966	0.5
121.02952	1.5
123.04557	0.5
133.02953	35.7
133.30894	0.3
134.03296	0.8
139.04005	0.4
149.02419	4.1
155.29770	0.3
162.03186	0.5
168.69588	0.3
177.01918	100.0
178.02252	3.7
193.81818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73367	0.2
59.01366	1.0
69.54546	0.7
69.54964	1.0
71.01372	0.7
77.03959	1.5
81.03456	2.2
85.02951	0.3
86.90565	0.3
89.03967	8.9
93.03451	1.7
95.05039	1.0
105.03458	15.9
106.03812	0.4
106.06637	0.5
107.01398	0.9
109.02970	0.6
113.19981	0.3
115.44081	0.3
121.02940	1.0
121.06577	0.2
129.01949	0.4
132.31760	0.3
133.02957	31.4
134.03664	0.9
139.04008	0.7
147.25490	0.3
149.02425	4.9
149.06058	0.3
162.03239	3.1
177.01927	100.0
178.02275	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28819	0.2
53.91720	0.2
59.01374	0.8
61.98826	0.9
69.03448	0.2
69.85243	0.8
71.01397	1.0
74.14185	0.2
85.02967	0.7
87.00874	3.2
97.02938	0.3
98.20632	0.4
99.00881	0.7
101.02445	0.4
117.01920	0.6
119.93720	0.9
125.02448	0.4
134.96086	52.2
135.04495	0.3
135.96132	2.3
136.94003	100.0
137.94070	4.8
141.01875	0.3
151.92709	15.0
152.92763	1.2
154.95049	0.3
161.04552	1.8
177.43951	0.2
178.95053	66.4
179.05637	2.2
179.95155	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0346
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.01881	0.4
57.03442	1.1
59.01380	8.4
63.02406	0.6
65.00333	0.4
68.99807	0.5
69.03456	1.5
71.01382	10.2
72.99303	0.9
73.02947	3.3
75.00861	1.0
78.34374	0.3
79.01875	0.4
81.03445	0.8
83.01388	2.3
85.02949	7.9
87.00877	31.6
88.01232	0.5
89.02441	3.1
91.05542	1.0
93.03467	0.5
95.01398	0.8
97.02950	3.0
98.19881	0.9
99.00880	8.0
101.02448	3.4
107.01402	1.0
107.05031	3.5
108.02184	0.5
109.02947	1.0
111.00894	0.4
113.02470	1.7
117.01940	4.7
117.03449	0.6
123.00881	0.6
124.89365	0.4
125.02453	3.7
129.01956	1.1
134.03738	9.7
135.04526	100.0
136.04857	3.9
140.92261	0.4
141.01949	2.6
146.03773	0.7
147.48732	0.4
151.00380	1.0
151.03992	0.5
159.03001	1.3
161.04555	16.8
162.04900	0.4
164.01199	0.8
164.04820	1.0
166.30563	0.4
170.83536	0.4
177.04037	1.0
178.99983	0.7
179.03508	14.3
179.05620	18.7
180.03897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Aspirin
Peak:m/z	Relative Intensity
54.62275	0.2
55.01876	0.6
57.03433	0.8
59.01376	5.3
63.02388	2.0
65.00308	0.8
68.99783	0.3
69.03448	1.7
69.54147	0.2
70.80444	0.5
70.80785	0.2
71.01379	8.0
72.99300	0.7
73.02944	3.3
73.29408	0.3
75.00867	0.7
79.01905	0.7
79.05525	0.6
81.03452	0.7
83.01389	2.4
85.02948	6.2
86.03253	0.2
87.00872	27.5
89.02448	2.6
89.03974	2.3
91.05531	1.8
93.03439	1.3
95.01373	1.2
95.05050	0.5
97.02952	2.5
99.00877	7.4
101.02437	3.4
106.04254	0.9
107.01391	2.8
107.05031	4.8
108.02162	0.9
109.02937	0.6
111.00894	0.3
113.02436	1.0
117.01937	4.8
117.03439	3.1
123.00861	0.5
123.04481	0.3
125.02441	3.8
125.34859	0.2
129.01935	0.8
133.02960	0.5
134.03735	24.1
135.04520	100.0
136.01665	0.6
136.04851	2.7
137.02438	0.6
141.01953	2.5
146.03734	0.4
147.03004	0.3
151.00357	3.6
151.03993	0.5
159.02982	1.6
161.04546	14.0
162.04909	0.3
163.82402	0.2
164.01103	0.5
164.04778	0.5
169.01419	0.7
177.04105	0.5
178.99930	2.4
179.03505	9.4
179.05614	15.4
179.07120	2.1
180.03929	0.2
186.58438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.53809	0.2
63.02422	0.2
67.42047	0.2
69.55145	0.2
69.75150	1.1
69.86609	0.2
71.01401	0.5
73.02963	0.4
77.37563	0.2
79.05538	0.4
85.02953	0.4
87.00880	1.2
89.03969	1.8
91.05539	1.6
91.72203	0.2
93.03474	0.7
95.05022	0.2
99.00883	0.5
106.04268	1.2
107.05028	5.8
108.02185	0.6
117.03452	2.2
131.28297	0.2
133.02979	0.4
134.03741	26.1
135.04520	100.0
136.04839	3.5
152.94647	0.3
159.02998	0.2
161.04530	0.8
179.03481	8.5
179.05316	0.4
179.05624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.05489	0.2
57.03424	0.3
59.01380	3.0
69.03432	0.3
69.29347	1.8
71.01379	3.7
72.01707	0.2
72.99310	0.3
73.02944	1.3
75.00869	0.3
81.03437	0.2
83.01369	0.7
85.02948	2.4
87.00878	11.1
89.02451	1.2
89.03977	0.4
91.05526	0.8
93.03436	0.3
95.01390	0.4
97.02966	1.1
99.00869	3.1
101.02458	1.3
106.04256	0.3
107.05024	1.8
108.02158	0.3
109.02893	0.2
111.00886	0.2
113.02446	0.5
117.01923	2.0
117.03466	0.7
125.02448	1.3
129.01935	0.4
134.03741	7.6
135.04520	100.0
136.04848	3.3
137.02518	0.2
139.62924	0.2
141.01932	1.0
146.03780	0.3
149.02470	0.2
151.04019	0.3
159.02979	0.6
161.04549	6.2
164.04724	0.4
177.04004	0.3
179.03499	14.0
179.05600	6.5
180.03841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Aspirin
Peak:m/z	Relative Intensity
55.01860	0.7
57.03434	0.8
58.00581	0.3
59.01374	4.7
63.02392	2.9
65.00313	0.9
68.99799	0.2
69.03449	1.4
71.01378	7.8
71.50425	0.3
72.99302	0.3
73.02941	2.7
75.00871	0.7
79.01885	0.6
79.05518	0.2
81.03436	0.3
83.01389	3.1
85.02942	6.1
87.00870	26.7
88.01234	0.4
89.02433	2.1
89.03959	0.4
91.05527	0.4
93.03458	0.4
95.01387	1.0
96.95982	0.3
97.02948	2.5
97.39816	0.2
99.00874	7.2
101.02432	3.1
105.01913	0.2
106.04272	0.2
107.01383	2.8
107.05026	2.3
108.02172	2.0
109.02968	0.4
111.00868	0.5
113.02447	1.3
116.40211	0.2
117.01936	4.1
117.03459	0.7
121.02937	1.1
123.00880	0.4
123.04472	0.3
125.02433	3.6
129.01933	0.6
134.03740	7.8
135.04515	100.0
136.01657	0.9
136.03889	0.4
136.04839	3.3
136.07666	0.8
141.01929	2.3
151.00356	5.0
151.03969	0.6
152.00693	0.2
159.02974	1.4
161.04541	14.7
164.01149	0.5
164.04779	0.4
169.01382	0.8
177.04044	0.6
178.99934	2.9
179.03493	16.1
179.05605	15.6
179.10742	0.3
180.03886	0.4
190.56917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.36217	0.2
51.69572	0.2
55.01860	0.2
57.03448	0.4
59.01107	0.2
59.01377	2.7
63.02401	2.1
65.00313	1.0
65.03946	0.2
69.03451	0.8
71.01379	3.8
71.50289	0.3
72.99313	0.4
73.02943	1.5
75.00867	0.4
79.01910	0.4
79.05533	0.2
81.03464	0.3
83.01385	1.9
85.02945	2.9
87.00872	14.1
89.02454	1.2
89.03972	0.4
91.05540	0.7
93.03442	0.3
95.01383	0.5
95.05022	0.2
97.02956	1.3
97.55325	0.2
99.00880	4.0
100.01077	0.2
101.02445	1.5
106.04265	0.2
107.01388	2.1
107.05012	2.4
109.02979	0.3
113.02460	0.5
117.01941	2.3
117.03394	0.9
121.02937	0.2
125.02461	2.1
129.01959	0.4
134.02913	0.1
134.03741	8.7
135.04524	100.0
136.01678	0.3
136.03894	0.3
136.04848	3.2
141.01933	1.3
146.03737	0.2
151.00366	4.1
151.03934	0.3
159.02986	0.7
161.04561	7.5
164.01129	0.3
164.04765	0.6
169.01418	0.6
177.04013	0.4
178.31575	0.2
178.99928	2.3
179.03502	14.9
179.05608	7.3
179.06982	0.4
179.10750	0.2
180.03862	0.5
180.05991	0.2
183.92332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	D-Mannose
Peak:m/z	Relative Intensity
55.01877	3.0
55.51374	1.1
57.03446	10.5
58.00574	2.9
58.51466	1.1
59.01381	99.9
64.82550	1.1
69.03459	8.4
69.77988	4.5
69.78399	2.6
71.01382	59.1
72.65464	1.2
72.99317	14.0
73.02946	9.5
75.00871	17.8
81.03455	14.1
83.01383	16.2
85.02951	90.6
86.03278	1.8
87.00345	1.8
87.00875	33.4
87.04523	3.0
89.02448	66.2
97.02953	24.9
99.00885	7.9
99.04520	3.6
101.02450	10.8
105.01938	23.1
113.02443	2.7
115.04019	1.9
117.01932	5.1
125.02431	6.6
129.01974	2.3
131.03497	46.8
136.55794	1.1
140.09496	1.1
141.01917	3.6
143.03508	3.2
159.39870	1.4
161.04553	100.0
162.04895	2.3
179.05614	94.4
180.05922	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	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01870	1.6
57.03429	5.0
58.00594	1.7
59.01380	65.1
62.79007	1.5
69.03461	2.8
70.56182	5.4
71.01385	36.8
72.99300	14.0
73.02951	12.9
75.00874	100.0
76.32602	1.4
81.03453	10.7
83.01375	8.6
84.02168	1.6
85.02952	48.9
87.00874	22.0
89.02445	36.3
97.02944	15.1
99.00900	7.8
99.04510	3.3
101.02447	5.8
105.20872	1.6
113.02393	2.7
115.03986	1.7
125.02451	5.1
131.03510	22.5
135.04517	9.7
139.61189	1.6
141.01971	3.0
143.03462	8.7
161.03265	3.5
161.04556	56.4
179.05612	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9933
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
59.01357	1.5
65.00320	0.9
67.01890	100.0
68.02217	1.0
68.99818	3.6
70.23328	3.0
71.60220	0.8
79.95737	2.9
95.01374	2.6
96.04564	1.2
97.02962	0.8
97.33869	0.8
111.00878	2.7
112.04037	0.9
121.02924	1.0
122.06075	0.9
123.00886	0.9
125.76182	0.8
139.00371	15.8
140.03452	1.1
146.57536	1.0
156.02948	1.1
164.98457	2.8
165.05473	0.9
168.00635	1.6
182.99478	3.5
183.03050	3.8
183.06593	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01382	53.2
68.99805	0.7
69.38271	4.7
70.02991	2.0
71.01388	14.2
84.04556	10.3
94.02993	4.0
95.05044	2.1
96.00923	1.6
97.01695	4.8
98.06129	1.3
104.60256	0.6
107.26048	0.6
110.02485	2.5
112.04051	100.0
113.02444	2.0
113.04400	1.4
113.06087	1.6
122.06131	9.4
124.04050	70.1
125.02454	0.7
125.04383	1.4
140.06081	1.6
140.07184	31.1
141.05574	0.8
145.12962	0.7
160.29489	0.7
166.05081	5.0
184.06155	64.2
185.06454	2.3
185.11752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23023	0.7
50.61024	0.8
55.01868	2.3
57.03432	2.6
58.02967	3.8
59.01379	12.9
60.91651	0.6
61.98826	1.3
62.72731	0.7
65.00294	0.9
67.01894	3.8
68.99813	3.3
69.03456	1.4
71.01385	8.9
71.05019	3.6
72.00919	7.9
72.04550	1.3
72.97279	0.7
72.99310	5.7
73.02946	2.1
73.04063	1.3
74.02464	9.1
75.00886	0.8
81.03455	7.2
82.02993	2.1
82.06625	0.9
83.01391	5.5
83.05017	1.5
84.04516	0.8
85.02950	2.2
86.06112	1.7
87.00888	1.4
87.05634	1.0
87.92519	1.0
88.04037	12.2
89.14743	0.8
90.97147	3.7
95.05045	1.0
96.04558	1.5
96.99306	2.2
97.02962	1.7
97.06599	1.8
97.96364	0.7
98.00090	1.0
98.02478	43.2
99.00877	15.9
99.04519	44.2
99.08140	1.1
100.04046	6.5
100.07679	1.5
101.02438	1.6
101.07207	7.8
102.05621	5.0
111.00890	4.2
112.04037	1.2
112.98851	1.2
113.02460	1.7
113.06151	0.9
114.05612	14.5
115.04011	9.2
115.05486	1.7
115.08782	1.4
116.03539	64.4
116.07191	4.5
124.04047	1.7
124.98818	1.8
125.02448	100.0
125.06081	20.3
125.07018	1.0
125.09721	4.8
126.02761	1.5
126.05597	2.3
126.09253	2.1
127.00359	8.2
127.04015	3.9
127.05064	1.0
128.03540	4.9
129.01933	1.1
130.08743	1.1
132.98206	1.9
136.98877	0.9
139.04068	4.4
141.03050	0.7
141.05595	1.3
142.05104	11.4
142.99849	2.6
143.03494	8.6
143.04636	12.7
143.07132	4.1
143.11903	14.8
144.03027	57.7
144.04524	5.4
144.06622	6.0
144.96220	0.9
145.05043	1.7
154.94768	2.6
154.99852	1.6
157.01459	2.1
168.88908	3.0
169.01389	1.2
169.05060	16.5
169.06380	1.3
186.90034	0.9
186.95647	2.8
187.02466	11.3
187.03700	11.7
187.06099	7.0
187.07761	1.7
187.10933	22.0
188.05576	4.7
188.09372	1.4
188.11075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.061
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
55.01876	2.2
57.03437	1.5
58.02973	1.6
59.01376	31.3
67.01880	3.0
68.99812	2.7
70.20176	2.2
71.01371	4.5
71.05020	8.7
72.00897	2.1
72.46725	0.8
72.99301	2.9
73.02950	1.7
73.04073	1.0
73.06593	1.2
74.02445	1.2
81.03455	3.3
81.07103	2.8
82.57898	0.8
83.01380	3.0
83.05033	3.3
85.02943	2.4
85.65968	0.9
87.00857	0.9
88.04033	1.7
95.05029	4.8
96.99317	1.2
97.06581	7.4
98.02470	6.0
99.00880	10.3
99.04512	16.1
99.08153	1.2
100.04061	2.3
101.02429	1.5
101.06082	4.7
101.07179	1.1
105.21997	0.8
107.05069	1.5
111.00864	9.0
113.06094	3.3
114.09235	2.7
115.03971	3.6
115.05550	1.6
116.03530	10.4
116.07201	2.4
125.02439	35.0
125.06076	80.9
125.09695	3.1
126.06361	1.6
126.09275	1.1
127.00382	4.9
127.04007	15.2
128.03548	1.3
130.08705	2.7
132.98201	1.9
139.04001	29.6
141.05594	8.0
142.05127	0.9
142.08717	3.4
143.03479	3.4
143.04710	3.2
143.07127	11.2
143.11906	4.1
144.03006	10.3
144.04533	16.8
144.06557	1.0
145.05054	11.2
154.94743	1.9
154.99834	1.0
159.04398	1.2
169.05051	100.0
170.05429	2.6
187.02434	5.4
187.03923	2.3
187.06100	26.1
187.07632	1.7
187.10963	6.9
188.09299	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.47958	0.1
61.98808	0.3
62.71040	0.1
65.31631	0.1
65.99840	0.2
69.77672	0.5
83.17515	0.2
98.20580	0.3
102.03522	0.8
116.05074	0.4
127.07632	0.1
129.05577	0.3
141.86790	1.2
144.04543	100.0
145.04903	3.2
159.03279	0.9
159.04446	0.2
185.09216	0.1
188.03511	3.8
189.01927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0555
Annotation	1,2-Dihydroxy-7-hydroxymethylnaphthalene
Peak:m/z	Relative Intensity
55.01894	0.5
57.03440	2.5
59.01366	2.9
59.20838	0.5
71.01374	3.7
72.99303	0.8
77.77406	0.5
83.04964	0.8
85.02939	1.0
91.05525	0.8
98.00111	0.6
99.08151	25.8
101.03988	1.0
103.05527	1.0
115.05527	12.6
117.03455	25.6
118.03763	0.6
119.05010	4.5
125.79302	0.5
127.06693	1.2
127.07641	27.2
129.05573	100.0
130.05891	2.6
131.05020	32.3
132.05411	0.9
133.06581	48.5
134.06921	1.5
143.04999	1.4
145.06564	2.2
145.08690	4.9
146.03719	0.8
147.04489	3.2
159.04495	17.0
161.02313	1.2
161.04796	1.0
161.06073	13.0
162.06398	0.6
171.04494	1.7
171.06616	5.7
173.09666	1.2
174.03181	3.9
174.06857	0.9
189.01990	0.9
189.05580	18.1
189.07660	33.4
189.09222	8.6
189.12778	5.0
209.62840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70938	0.5
53.62604	0.4
57.03449	2.2
59.01371	2.9
67.25712	0.4
83.05026	0.9
85.02970	0.8
99.08154	25.0
101.06086	0.4
107.68426	0.5
127.07648	25.8
128.08015	0.9
129.05576	100.0
130.05910	2.4
134.90942	0.5
140.85136	0.4
143.07146	0.5
145.08673	4.0
171.06628	4.4
173.98615	0.4
189.07671	33.7
190.08049	1.2
209.89714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.12973	0.4
57.03450	3.2
57.03702	0.7
59.01373	3.0
70.80805	0.7
70.81125	0.7
85.02947	0.7
89.41013	0.5
99.08153	24.9
101.06085	0.8
106.44753	0.5
107.23208	0.5
127.07645	26.8
128.08031	0.6
129.05574	100.0
130.05919	2.6
145.08699	3.4
163.35564	0.4
171.06590	4.9
189.07681	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03449	2.3
59.01379	2.4
66.91682	0.2
82.88364	0.2
83.05032	0.8
85.02956	0.6
85.06616	0.3
99.08161	26.2
100.08520	0.6
101.06105	0.7
127.07656	28.3
128.07993	0.8
129.05583	100.0
130.05902	2.3
142.35599	0.2
143.07095	0.5
144.05232	0.2
145.08701	4.1
171.06639	4.9
172.06992	0.2
187.49823	0.2
189.07690	32.8
190.08025	0.9
193.99252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.61052	0.4
57.03447	7.0
59.01368	1.3
67.01879	4.3
70.68787	0.6
85.02948	29.6
86.03290	0.6
86.12270	0.3
87.00874	49.0
88.01212	0.6
101.02431	0.6
103.04017	0.8
111.00878	100.0
112.01229	2.3
129.01947	5.4
130.99843	0.7
147.02922	0.5
154.99765	0.5
173.00897	1.3
176.01138	0.5
190.95842	0.5
191.01974	9.1
191.03506	0.5
191.05612	4.1
192.02419	0.3
202.23009	0.3
211.03033	0.3
212.20898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09010	0.5
53.70854	0.5
57.03453	6.2
58.12312	0.5
58.88535	0.4
59.01374	1.0
60.34613	0.5
63.13863	0.5
65.87148	0.6
66.03094	0.5
67.01895	4.2
70.97637	1.1
71.01394	1.2
72.99288	1.0
78.35490	0.5
83.01403	0.7
85.02953	30.0
87.00880	47.6
88.01221	0.8
89.45091	0.5
90.92430	0.5
99.00885	1.0
101.02468	0.6
104.44769	0.5
109.74783	0.6
111.00884	100.0
112.01209	2.4
112.98808	1.3
129.01945	5.7
130.99872	0.9
147.03040	0.6
173.00931	2.1
191.02005	8.2
191.05647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03454	5.9
59.01376	0.8
67.01894	3.1
70.97350	0.8
71.01387	0.4
79.87620	0.3
85.02955	26.6
86.03281	0.5
87.00882	46.7
88.01242	0.6
101.02467	0.6
103.04043	0.6
111.00888	100.0
112.01236	2.0
112.98821	0.7
122.97621	0.3
127.29789	0.3
129.01964	6.9
130.99899	1.1
141.53239	0.3
147.02986	0.8
154.99854	0.5
173.00891	2.1
191.01993	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03431	1.0
58.92234	0.4
59.01352	0.9
67.01878	0.9
69.22952	3.5
72.99239	0.3
77.03971	0.3
85.02946	9.0
87.00873	10.3
93.03465	1.4
111.00879	17.6
111.04510	0.6
119.04982	1.4
121.02949	100.0
122.03288	2.6
127.04018	0.8
127.07648	0.4
129.01941	1.1
147.04517	5.6
163.04002	0.8
173.00967	0.4
176.01122	0.6
191.01932	1.4
191.03525	7.4
191.05603	14.8
191.06873	0.6
192.03773	0.6
213.07904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31540	0.3
51.39162	0.3
51.60129	0.3
55.31019	0.3
59.01375	0.5
59.80024	0.3
69.92004	1.1
69.92411	0.4
73.02946	0.5
83.01369	0.5
85.02935	0.6
87.00864	0.4
89.03973	3.7
93.03432	0.4
97.02985	0.3
98.20673	0.3
99.00897	0.4
101.02445	0.4
106.04256	0.9
109.02959	0.3
111.00912	0.5
117.03461	6.9
121.02976	1.3
133.02966	2.2
134.03738	100.0
135.04079	2.5
137.02437	6.4
139.04019	2.2
149.06081	9.6
150.03250	0.7
153.40094	0.3
161.04578	0.9
177.05458	0.3
178.02705	21.9
179.03056	0.9
193.05052	14.2
194.05417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03424	1.0
58.00568	0.6
59.01373	4.9
69.03451	2.6
69.34423	1.9
69.34845	1.8
71.01378	6.6
72.99302	0.9
73.02942	6.3
77.37172	0.5
83.01389	2.8
85.02943	7.8
86.00102	0.9
87.00875	5.8
89.02455	0.7
89.03964	0.7
93.03453	1.7
95.01376	2.0
95.87036	0.5
97.02937	3.3
98.19878	0.9
99.00874	6.3
101.02431	9.4
106.04240	1.3
106.95935	0.5
107.05035	0.5
109.02939	0.7
111.00874	1.3
113.01334	0.6
113.02432	1.8
117.03462	1.1
121.02948	3.4
123.00822	1.3
123.04609	0.6
124.01674	0.7
125.02489	2.8
127.03977	0.5
128.89256	0.5
133.02946	7.3
134.03732	100.0
135.04079	2.8
137.02437	17.5
138.02808	0.6
139.04005	5.9
140.01143	0.8
141.01907	2.6
149.02470	0.9
149.06065	18.0
150.03229	2.3
150.06403	0.9
155.03500	1.5
160.01651	0.8
161.04539	12.0
163.03967	0.7
165.00154	2.1
165.01878	0.6
166.00449	0.5
178.02696	58.1
179.03050	1.5
192.99643	10.5
193.01294	1.1
193.05052	25.4
193.07133	6.4
194.05391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.91611	0.3
57.03433	0.8
58.00599	0.5
59.01370	3.0
68.99799	0.3
69.03455	1.8
71.01377	5.4
72.99284	0.6
73.02940	5.1
78.08363	0.3
79.01889	0.8
81.03456	0.5
83.01366	1.6
85.02943	6.6
86.00093	1.1
87.00871	5.2
87.46834	0.3
89.03963	2.2
93.03497	0.5
95.01396	1.2
95.05003	0.6
97.02962	2.7
98.19881	0.8
99.00884	4.6
101.02436	6.9
106.04212	0.8
106.06646	0.6
108.02184	0.3
109.01186	0.4
109.02952	0.4
111.00857	1.0
111.92861	0.4
113.02461	1.4
117.03452	3.5
119.05050	0.5
121.02934	1.5
121.06641	0.4
123.00911	0.8
123.04510	0.6
124.01661	0.4
125.02439	2.3
127.04025	0.4
129.27403	0.3
133.02946	2.1
134.03732	100.0
135.04057	3.1
137.00662	1.3
137.02434	4.8
139.04036	1.5
140.01122	0.6
141.01920	2.5
147.04535	0.4
149.02415	0.4
149.06093	5.8
150.03220	0.6
155.03468	1.2
159.03023	0.3
160.01669	1.0
161.04544	8.0
165.00148	1.5
175.06090	0.6
178.02699	16.4
179.02963	0.5
192.99684	5.2
193.01418	0.9
193.05049	11.4
193.07147	4.6
193.08798	0.5
194.05333	0.5
204.45248	0.3
210.89009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
51.85213	0.8
52.21127	1.0
58.00590	13.0
59.01376	28.6
69.03451	1.2
69.65618	2.5
69.66048	3.1
71.01383	7.1
72.65232	0.9
72.99301	1.6
73.02943	4.7
75.28529	1.0
75.45942	0.7
77.03979	0.8
81.03434	1.1
83.01379	1.3
85.02946	4.7
86.00093	6.2
87.00876	3.3
90.32546	0.9
93.03455	61.6
95.01436	1.3
95.05025	2.8
96.49536	1.0
97.02926	2.7
99.00877	19.9
99.01534	1.0
101.02438	5.9
103.34474	0.8
105.03466	1.6
106.04260	1.9
107.05041	9.0
107.48540	0.9
108.02160	1.2
113.02461	1.8
119.05032	8.5
120.94435	0.8
121.02959	4.0
123.00886	1.1
123.04516	24.7
125.02469	1.7
132.02164	4.1
133.02950	100.0
134.03691	3.0
135.04480	6.6
137.06042	1.2
141.01941	1.3
147.04510	3.9
149.02467	1.2
155.42203	1.0
161.04541	6.9
163.03975	5.6
165.05554	35.4
166.05896	1.1
175.03964	1.1
178.02719	3.5
193.05049	20.9
193.07072	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68750	0.2
59.01379	0.5
67.27549	0.2
69.03448	0.2
71.01385	0.8
71.27127	0.3
73.02950	0.8
83.01398	0.3
85.02949	1.0
87.00885	0.9
89.03970	3.3
95.01382	0.5
97.02956	0.5
99.00887	1.0
101.02454	1.3
106.04232	1.0
117.03472	4.8
121.06614	0.3
125.02467	0.3
133.02995	0.3
134.03745	100.0
135.04080	2.8
137.02434	0.8
141.01926	0.2
148.01889	0.2
149.06081	2.0
155.03450	0.3
161.04593	1.5
178.02721	3.2
193.05058	5.2
193.07106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
60.02356	0.3
61.98830	0.5
67.55219	0.2
68.99592	0.4
69.56013	0.2
69.78732	1.1
73.80996	0.2
98.20625	0.5
99.08215	0.3
109.06593	4.3
111.08166	3.9
122.03735	0.5
125.02392	0.3
125.09698	0.7
135.11803	0.5
136.05292	0.4
138.06912	1.2
139.07674	0.3
141.71274	0.3
151.11328	0.6
154.08398	0.2
160.84207	4.8
167.14410	6.5
178.93430	0.2
179.10760	5.4
179.12262	0.4
180.04349	0.5
180.11269	0.4
192.18340	0.3
195.13899	100.0
195.81117	2.2
196.14256	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	196.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98820	3.0
71.50303	0.6
81.03439	0.8
87.35220	0.5
95.22726	0.6
96.91292	0.5
103.92007	2.0
109.02979	0.6
110.02496	0.5
121.03020	0.6
123.00867	0.7
126.90498	2.3
153.12865	0.8
160.84209	25.6
166.99817	0.7
167.05023	5.0
169.06555	2.7
178.99812	0.5
182.02188	1.7
182.59569	0.5
195.04475	0.6
195.81084	9.7
196.05281	100.0
196.14235	10.1
197.05881	6.3
197.11761	2.8
209.16180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.17712	0.2
59.01375	0.8
61.98829	0.7
69.03456	2.3
69.92820	1.2
71.01377	0.3
81.03473	0.3
83.05029	1.3
97.06571	0.3
98.20031	0.3
99.29015	0.2
103.97632	0.3
109.02979	0.4
123.00902	0.6
123.08131	0.4
125.02455	0.3
125.09717	0.5
126.90528	0.7
141.09198	1.2
151.11276	1.0
153.09248	1.9
153.12845	5.2
154.13057	0.3
155.25853	0.3
160.84222	2.5
162.83914	5.2
167.10745	0.4
169.12334	19.1
170.12682	0.6
179.10800	1.9
182.02132	0.7
197.11815	100.0
197.80783	3.3
198.12152	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72393	0.2
59.01364	1.0
61.98814	0.6
69.03461	2.2
69.14663	2.5
77.49001	0.2
83.05021	1.5
95.01408	0.4
95.05050	0.3
97.06557	0.4
109.02943	0.4
116.92831	0.5
123.00872	0.6
125.09710	0.4
126.90492	0.7
141.09224	1.3
151.11272	0.6
153.01994	0.5
153.09183	1.6
153.11685	0.3
153.12860	4.3
160.72876	0.2
160.84206	3.7
162.83905	7.8
166.99838	0.3
169.12326	19.5
170.12671	0.8
178.99875	0.3
179.10765	2.7
182.02235	0.9
197.11815	100.0
197.80760	5.3
198.12144	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59577	0.2
59.01369	0.9
60.06520	0.2
61.81349	0.2
61.98829	1.1
62.67916	0.2
65.00302	0.2
69.03452	2.5
71.42070	0.5
83.05021	1.3
85.06644	0.3
96.34971	0.2
96.96032	0.3
98.13759	0.2
103.97682	0.3
109.02982	0.2
121.02956	0.3
123.00886	0.7
123.08154	0.4
125.09675	0.5
126.90498	0.7
141.09210	0.9
151.11270	1.1
153.09233	1.7
153.12834	5.0
160.84215	3.0
162.83905	7.0
166.99835	0.4
167.10779	0.2
169.12332	18.8
170.12691	0.7
179.10748	2.0
182.02219	1.0
197.11818	100.0
197.80780	4.3
198.12167	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.03408	0.5
59.01373	0.5
61.98820	2.0
69.03465	1.3
69.17713	4.5
69.18109	0.9
71.05025	1.2
81.03458	0.6
81.72324	0.4
97.06592	14.5
98.19908	0.8
98.30173	0.4
99.08156	3.6
109.02940	0.8
122.03729	2.4
123.00867	1.9
125.02420	1.0
125.09722	0.9
126.03193	0.9
126.90506	1.8
137.09708	2.4
138.03255	0.5
151.11282	1.5
153.01961	0.6
153.05652	0.7
153.12848	100.0
154.13206	3.2
160.84212	5.4
162.82642	1.0
162.83922	13.8
166.99846	0.9
169.12291	1.1
178.99861	0.8
179.10771	23.2
180.11226	0.9
182.02213	2.6
197.02014	1.1
197.04538	0.8
197.11818	11.1
197.80803	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.60507	0.4
59.01379	0.6
69.03450	1.7
70.45695	0.9
70.46056	0.9
83.05024	1.2
85.25639	0.4
97.06622	0.5
123.00883	0.7
123.08134	0.6
125.02480	0.5
126.90471	1.1
137.08458	0.4
137.09651	0.4
141.09201	1.1
151.11307	1.0
153.01874	0.5
153.05692	0.4
153.09183	1.2
153.12846	5.0
162.83920	1.8
166.99844	1.6
169.12326	18.7
170.12614	0.6
174.93660	0.4
179.10808	2.2
182.02202	2.0
196.98422	0.4
197.06027	1.2
197.11816	100.0
197.80792	0.9
198.12164	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01366	1.4
61.98801	0.6
69.03453	2.4
69.16731	4.7
69.17145	1.4
71.05027	2.8
74.14597	0.5
79.79835	0.6
81.03465	0.9
83.01360	0.6
95.01356	0.8
95.82580	0.6
98.20664	1.3
109.02936	1.4
111.04567	0.6
112.01653	2.0
123.00868	2.8
123.08134	0.8
125.02449	0.9
125.09696	1.0
126.62224	0.6
126.90479	2.7
138.03232	0.9
151.00296	0.9
153.01967	1.2
153.05606	1.0
153.09241	0.9
153.12852	4.2
156.23035	0.6
156.28482	0.7
160.84204	1.9
162.83926	3.5
166.99840	2.2
169.06541	0.9
169.12318	4.8
178.99866	0.8
179.03481	1.0
179.10747	2.3
182.02214	4.7
187.84232	0.6
197.04485	1.7
197.06091	1.9
197.08073	2.3
197.11818	100.0
197.80733	2.3
198.07877	0.6
198.12134	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03433	0.4
59.01394	0.4
65.68717	0.3
67.01862	0.5
70.25584	1.0
70.25976	0.8
71.05018	1.6
73.02962	0.4
73.09901	0.3
83.01400	0.7
83.05040	0.5
83.19714	0.3
85.02950	0.3
85.64417	0.3
92.99834	0.5
97.06609	0.5
98.20541	0.4
99.00867	1.0
99.08164	0.4
111.00898	1.0
113.02467	0.5
125.09715	1.8
127.00428	0.8
127.11299	4.0
128.11632	0.3
153.12843	1.2
155.10814	2.4
155.14397	1.0
159.81509	0.3
162.83914	0.9
164.83568	0.9
169.12329	0.7
171.10272	0.5
180.97818	0.4
181.12372	1.0
197.11809	2.4
199.13393	100.0
199.80469	0.7
200.13734	3.8
212.86258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	0.9
70.66525	0.6
93.50520	0.3
115.02524	0.4
126.91983	0.3
157.03554	7.0
158.03709	0.4
159.01503	1.7
201.02536	12.9
202.02719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0348
Annotation	3-Methoxyjuglone
Peak:m/z	Relative Intensity
52.17597	0.3
59.01376	8.8
62.72423	0.3
65.65388	0.3
68.99823	1.7
87.00890	0.4
93.51511	0.3
98.14946	0.3
102.04729	0.8
103.05544	2.1
103.92027	1.3
105.89658	0.3
107.24284	0.3
116.05055	8.4
117.03462	1.0
119.05004	1.1
129.03468	5.9
130.04248	11.7
131.05025	30.8
132.04509	1.1
132.05371	1.3
141.09207	0.5
143.07137	0.4
145.02940	4.8
147.04520	4.1
148.95464	0.4
149.06026	0.4
158.03650	0.6
159.03285	0.7
159.04506	4.0
160.04024	6.2
175.03961	2.9
203.03487	100.0
204.03893	4.0
204.06725	0.3
208.55151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.35968	0.8
58.81034	0.7
59.01366	2.6
69.99741	1.4
70.00150	2.2
72.00906	21.7
74.02472	31.2
98.20657	0.7
104.54500	0.7
116.05057	100.0
117.05400	1.7
130.04254	0.8
130.06631	2.7
131.05028	0.9
142.06615	26.3
143.06976	1.8
147.04546	0.8
159.04501	1.4
159.09254	15.7
186.05603	3.5
203.03555	4.4
203.08255	52.2
204.08638	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02920	0.5
53.78883	0.4
55.30962	0.5
55.90524	0.5
57.03447	0.8
59.01376	2.1
68.18697	0.6
69.76633	3.0
97.06596	1.0
98.03746	0.8
98.20570	0.7
105.12842	0.6
113.09724	35.7
114.10024	0.9
115.12405	0.5
141.09215	38.6
142.09529	1.8
143.07132	100.0
144.07445	3.1
157.08644	0.8
159.10258	6.4
185.08185	7.4
192.51378	0.6
203.09235	49.4
204.09564	1.7
211.01563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01364	3.2
65.56576	0.4
71.01366	0.5
71.50610	0.4
75.21832	0.3
89.28119	0.4
97.06595	0.9
103.05555	0.4
113.09722	35.2
114.10042	1.2
115.07661	0.7
130.04205	0.5
141.09212	38.0
142.09511	1.3
143.07130	100.0
144.07481	3.3
157.08694	0.6
159.04515	1.5
159.10249	6.3
174.03217	0.4
180.84258	0.4
185.08171	7.4
203.09230	50.4
204.09561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.38603	1.5
69.39008	5.1
77.15260	0.8
79.46206	0.8
89.77419	0.8
93.19466	0.8
99.08157	6.2
116.14277	0.8
119.21959	0.9
143.07135	5.0
203.78091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33457	0.6
59.01381	100.0
60.01702	1.3
66.59435	0.7
67.07588	0.6
69.96977	3.1
74.77245	0.6
80.35229	0.7
99.08154	5.4
101.70125	0.7
139.07590	0.7
143.07181	4.4
144.25461	0.7
159.04552	1.5
215.66028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	0.2
59.01376	4.8
60.01712	2.0
61.01804	0.6
61.98828	100.0
62.98531	0.1
70.63521	0.3
73.92743	0.1
92.43911	0.1
98.20523	0.1
105.25930	0.1
108.66666	0.1
117.65305	0.1
124.61169	0.1
159.03358	0.1
160.03676	0.3
161.12691	0.1
203.99913	0.5
204.02644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54716	1.7
55.01870	8.9
57.03437	5.0
58.00585	3.0
59.01381	59.0
60.99288	2.2
67.01881	8.6
68.99816	6.9
69.74249	9.3
69.74651	3.4
71.01019	3.3
71.01389	60.2
71.05023	11.0
71.61696	1.8
72.99313	53.0
73.02950	20.6
74.55664	2.0
75.00879	27.7
75.88152	1.7
81.03459	5.7
83.01385	18.5
83.05024	2.3
85.02949	9.8
87.00878	55.7
89.02436	5.4
95.03702	1.9
96.60417	1.8
96.99308	7.0
99.00883	35.7
99.04535	11.2
101.02441	20.8
101.06094	2.8
103.00356	5.9
111.00884	100.0
112.01215	2.7
112.98809	26.6
115.00381	68.6
115.03998	4.9
115.07648	2.9
117.01969	14.4
124.98802	11.1
125.02459	54.5
127.00356	8.2
129.01950	12.6
140.02255	1.8
142.99872	17.9
143.03491	8.9
143.07120	1.8
145.01448	16.7
145.05069	9.9
154.99873	22.4
157.01364	2.1
161.05997	2.1
165.57939	1.8
173.00922	10.4
175.02446	7.0
187.02458	4.2
205.03511	19.6
205.07198	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03727	3.1
55.01870	9.5
57.03432	7.7
58.00579	8.0
59.01377	82.1
61.98829	3.5
68.99804	13.9
70.14957	15.0
71.01376	98.4
72.99299	53.0
73.02940	13.9
75.00862	47.2
75.40833	3.4
83.01384	16.4
84.99301	4.5
85.02897	4.2
87.00871	44.0
89.02443	19.4
96.99316	7.5
98.19959	3.4
99.00883	54.7
101.02423	8.4
103.00361	8.6
111.00872	23.9
112.98098	5.5
112.98810	77.9
114.99557	7.1
115.00365	100.0
117.01934	12.7
124.98775	17.0
125.02427	6.6
127.00357	11.2
129.01918	19.7
142.99857	25.4
145.01421	21.8
154.99814	10.9
173.00859	7.5
175.02473	7.0
191.94539	4.1
201.25905	4.0
205.03394	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	205.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58037	2.7
53.53963	2.8
53.88550	2.6
59.01379	20.4
59.61099	2.4
64.09048	2.7
68.99816	3.3
69.30767	12.9
69.31189	9.7
71.01376	14.0
72.99304	10.0
75.00887	6.7
77.35812	2.5
85.02982	2.6
87.00864	6.3
93.07103	18.8
99.00887	5.6
105.07121	13.3
111.00872	4.1
115.00378	16.3
117.03420	5.0
124.98830	5.2
129.01933	4.1
133.02962	18.5
136.29651	2.7
146.03798	3.0
148.05287	2.9
149.06136	3.8
149.95992	3.5
150.06854	29.6
154.99844	5.2
161.02412	5.5
161.06137	13.6
161.13344	20.6
167.64923	2.8
176.04796	16.9
187.11131	3.8
205.01378	6.6
205.05022	11.1
205.08676	27.9
205.12320	100.0
205.15950	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.123
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
53.46997	1.5
54.49559	1.5
59.01383	11.8
61.98812	5.4
69.20731	16.1
69.21068	1.7
71.01392	13.4
72.99297	6.0
73.02944	3.1
75.00865	4.5
83.01402	2.4
85.02946	3.3
85.16577	1.7
87.00874	5.8
91.01229	1.7
93.07095	3.6
99.00864	5.3
105.07084	6.7
111.00852	5.5
115.00379	12.5
117.03448	3.1
124.98762	2.4
125.02420	2.0
126.16415	1.7
127.00362	2.8
129.01935	3.0
133.02939	4.6
133.06566	4.1
135.04369	1.5
135.11778	4.9
142.99844	2.9
145.01434	2.6
147.04477	1.7
150.06851	25.2
151.07561	2.1
154.99844	2.5
161.02420	4.8
161.06065	25.2
161.13339	22.3
162.89354	5.7
175.03989	3.2
177.01950	2.8
177.05652	2.8
187.04033	4.1
190.02655	2.0
205.01393	5.9
205.05086	12.8
205.06783	2.6
205.12317	100.0
205.15918	33.9
206.12685	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	205.1232
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
54.93906	3.4
55.01872	4.8
59.01379	28.4
61.98827	17.3
68.99803	4.2
70.97987	4.6
70.98352	7.2
71.01376	34.0
72.04482	3.0
72.99304	18.8
73.02925	6.2
75.00878	11.7
82.30359	2.8
83.01392	5.8
85.02937	7.7
87.00853	16.1
93.03454	3.4
93.07099	16.8
96.99329	3.8
99.00855	9.5
105.03428	3.0
105.07098	15.6
111.00881	8.7
115.00369	31.3
117.03452	9.2
124.98825	4.5
127.00405	4.4
129.01959	4.6
133.02946	13.5
133.06635	6.5
135.04526	4.0
135.11792	3.3
137.83313	3.2
142.99806	6.6
146.03719	5.6
147.04498	4.4
150.06880	20.9
151.07690	5.3
159.04364	5.0
161.02435	17.8
161.06081	60.6
161.13356	24.4
162.89352	26.2
176.98203	5.1
177.01898	8.8
177.05569	5.5
187.03987	9.9
190.02730	5.9
204.90263	3.9
205.01451	17.5
205.05032	31.4
205.08842	7.9
205.12321	100.0
205.15932	78.9
206.16252	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	205.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.5
57.03413	1.7
59.01391	7.0
70.64866	2.3
70.65189	3.1
70.88842	1.4
71.01370	9.2
72.99311	3.9
73.02938	1.9
75.00856	5.4
83.01356	1.6
87.00880	5.3
93.07082	5.0
99.00876	4.0
105.07086	3.9
106.05233	1.6
111.00853	1.6
115.00378	6.7
117.01937	1.8
124.98825	1.7
129.01939	2.0
133.02953	2.1
135.04419	1.7
135.11819	6.5
138.61427	1.5
139.80148	1.3
142.99831	2.4
143.18452	1.6
150.06860	28.2
161.02414	2.6
161.06041	2.3
161.13370	25.7
162.89345	3.8
205.01447	2.1
205.05072	2.6
205.12321	100.0
205.15787	10.1
206.12747	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	205.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	29.2
61.41235	2.6
61.98824	7.9
68.99798	8.8
71.01378	37.2
72.99294	16.8
73.02942	7.1
75.00866	13.0
75.18243	2.6
83.01369	5.0
85.02955	5.8
87.00856	18.1
93.07079	13.5
98.20695	4.7
99.00898	9.8
99.04494	3.6
102.10295	2.8
105.07083	10.8
111.00841	7.9
115.00375	42.3
117.01964	5.7
117.03478	8.7
121.02939	3.6
124.35252	2.8
124.98816	9.0
127.00352	5.4
129.01953	3.6
133.02927	9.9
133.06584	6.6
135.11780	4.5
142.99858	5.8
145.01398	5.9
147.04504	7.6
149.02412	3.8
150.06876	19.8
151.07623	3.2
154.99838	6.4
159.04466	3.4
161.02496	14.9
161.06050	31.4
161.13362	19.8
162.01947	2.8
162.89330	13.8
175.02574	3.2
175.03990	9.1
176.04753	29.7
177.01909	4.4
177.05391	5.8
187.03958	6.5
187.07428	3.0
190.02615	7.0
190.06297	3.4
191.03207	3.2
205.01425	11.1
205.05040	17.6
205.08752	19.3
205.12323	100.0
205.15912	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
67.28117	1.9
68.99801	2.8
71.01379	14.8
71.50285	2.1
72.99302	5.3
73.02951	2.4
73.66926	2.0
75.00860	5.5
81.07085	2.1
83.01387	3.6
85.02953	2.7
87.00850	9.3
93.07089	11.3
99.00871	3.9
99.04533	2.6
105.07120	13.9
111.00874	2.5
112.85630	2.0
115.00387	15.8
117.01912	2.5
117.03452	3.9
118.25469	2.0
124.98779	2.9
127.30775	2.1
133.02943	2.9
135.11789	4.8
142.99890	3.2
145.01370	2.5
145.02948	2.6
150.06856	25.7
154.99866	3.1
161.02446	4.7
161.06029	5.7
161.13350	33.4
177.05547	2.8
205.01494	3.7
205.05048	5.6
205.12314	100.0
205.15869	15.7
206.12587	4.6
219.02391	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01369	0.2
69.30894	1.2
71.01360	0.3
72.99313	0.2
75.00863	0.3
87.00835	0.2
115.00376	0.5
132.23108	0.1
162.89354	0.2
189.12837	1.7
190.13254	0.2
205.15953	100.0
206.16316	5.0
206.18007	0.1
206.18353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02972	33.9
63.85919	0.7
64.06879	0.6
69.22858	3.8
69.23275	2.2
70.02975	12.0
72.00908	6.2
91.05524	14.5
93.14786	0.6
97.96203	0.7
103.05537	2.0
119.05031	0.9
135.04486	1.2
147.04518	40.3
148.04846	1.1
162.09282	1.0
164.07155	100.0
165.07454	3.3
175.82257	0.7
196.61694	0.7
206.08208	31.5
207.08514	1.1
221.02934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27561	0.1
59.01375	0.3
61.98830	100.0
62.98541	0.2
64.40041	0.1
70.53437	0.4
77.83508	0.1
94.49710	0.1
162.98486	1.4
162.99815	0.2
163.00319	0.1
164.96407	0.3
174.20630	0.1
177.01903	0.7
192.04291	0.6
206.97444	7.9
207.06561	0.3
207.97549	0.4
215.14842	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	208.004
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03613	0.6
65.99844	13.7
85.66724	0.6
86.38367	0.5
92.01418	0.8
92.99780	0.7
111.89306	0.5
115.03062	0.8
119.02486	0.6
120.00927	0.6
121.02956	6.9
126.01790	0.5
132.00891	1.3
140.99872	8.5
164.01456	6.5
164.99846	29.9
166.00314	0.7
167.98590	3.7
172.02800	5.1
190.99814	0.8
206.99516	0.7
208.00424	100.0
209.00838	4.1
209.04497	1.2
209.11777	1.6
223.74023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0664
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01880	4.5
57.03444	32.7
58.00581	3.0
59.01374	36.5
68.99812	1.8
69.61988	8.9
71.01377	19.1
72.99313	2.4
73.02929	4.2
83.01391	8.5
84.02155	6.9
85.02948	82.2
85.49628	1.3
86.03284	1.5
87.00869	49.4
87.04466	1.9
87.69209	1.4
89.02437	10.2
97.02956	2.1
99.00884	9.7
101.02449	5.8
109.59347	1.4
111.00871	7.6
115.04022	3.6
119.03436	1.7
129.01941	60.2
130.02251	1.8
141.01949	3.8
159.02992	13.1
209.06648	100.0
210.07007	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	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17656	0.5
55.01881	3.7
57.03444	2.6
58.69588	0.5
61.98820	0.9
68.79401	0.5
69.03456	0.8
70.98479	0.5
70.98795	0.8
71.01373	0.8
71.05036	1.2
80.02693	0.8
81.03453	5.4
83.01383	31.9
83.05018	4.5
84.02179	1.6
93.03456	0.8
95.05017	1.7
97.06577	4.9
107.04981	0.6
109.06629	0.5
109.17655	0.5
111.08179	0.8
120.02113	0.6
121.02946	11.3
122.75990	0.5
123.08165	2.2
124.04060	0.9
125.06069	0.6
125.09714	26.3
126.10025	0.5
134.03679	0.7
135.08144	2.2
135.19669	0.5
144.01367	0.5
147.11784	0.9
159.45000	0.6
161.09720	0.6
163.11273	11.1
164.11621	0.8
165.12842	4.4
167.10776	0.9
181.12286	2.0
191.10770	8.5
206.01718	0.7
209.11809	100.0
210.12158	3.9
228.65331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90203	0.8
55.01868	0.9
57.03447	6.1
59.01364	2.5
61.98824	7.2
69.03449	2.6
69.67250	3.8
71.01376	14.8
71.01742	1.6
71.05020	1.8
73.02937	1.3
80.02682	2.6
81.03455	3.3
83.01369	6.7
83.05016	5.4
84.02162	1.6
85.02943	0.9
88.63758	0.8
92.99821	0.9
93.03445	2.1
94.02992	1.2
95.05027	2.0
97.06583	5.5
104.86163	0.8
107.05013	1.3
109.02923	1.1
109.06585	1.5
111.08134	3.9
120.02074	0.9
121.02950	42.5
122.03226	1.3
123.08147	2.5
123.68440	0.7
124.04037	2.9
125.09711	12.8
135.08131	2.3
135.89131	1.0
137.09698	1.5
144.00664	1.1
145.10228	3.3
147.11787	3.4
149.09648	2.0
151.11272	24.7
152.11615	1.1
153.12816	2.5
161.09683	1.8
163.11298	9.9
165.12837	21.4
166.13216	1.1
167.10794	1.0
173.09720	2.8
179.10783	5.3
181.12334	31.7
182.12636	1.7
190.99936	2.1
191.10773	14.7
209.00967	0.9
209.04536	6.6
209.11807	100.0
209.94907	1.5
210.12128	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.06324	0.8
55.01867	1.5
57.03446	6.4
58.00586	1.0
59.01370	1.3
61.98829	6.5
64.70734	0.7
69.03445	2.3
69.12688	5.0
69.13112	4.3
71.01377	20.8
71.05029	1.2
78.66754	0.7
80.02676	2.5
81.03452	2.9
83.01397	6.6
83.05026	5.1
84.02168	2.4
85.41154	0.9
89.79690	0.7
93.03449	2.9
93.73705	0.8
94.02985	0.9
95.05019	3.9
95.38158	0.8
97.06566	6.9
108.02107	0.8
109.06563	1.5
111.08160	3.1
112.01646	1.2
121.02953	31.4
121.06557	0.9
123.08169	2.0
124.04043	1.9
125.09718	11.0
134.03740	1.7
135.08170	1.8
145.10188	1.6
147.11792	3.1
149.09680	1.6
151.11281	31.5
153.12822	4.0
163.11284	10.6
165.12842	20.4
166.13173	1.3
167.10779	1.5
173.09689	2.9
179.10799	4.6
181.12335	41.6
182.12628	2.3
189.60796	0.8
190.99823	1.3
191.10759	18.1
192.11031	1.2
209.04561	3.7
209.11810	100.0
209.94853	1.6
210.12160	3.2
216.09624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
56.21493	1.2
57.03437	5.0
59.01385	14.3
61.98817	4.6
69.03452	30.8
70.51326	1.3
70.98415	3.7
71.01364	1.7
71.05019	4.0
83.05015	5.4
92.12150	1.4
93.03466	4.2
109.06570	2.1
111.08168	7.2
121.02953	32.7
121.10188	2.3
127.07626	2.0
135.08179	3.6
136.11546	1.4
147.11771	2.0
153.09180	6.5
163.11299	5.0
165.09254	4.1
165.12825	23.1
173.09698	3.1
181.12341	26.6
191.10774	26.9
209.04556	4.1
209.11823	100.0
210.12141	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	209.1181
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.91775	0.5
52.08379	0.5
59.01357	0.6
61.98825	6.5
65.65743	0.5
71.50327	0.5
75.22234	0.5
83.05013	0.7
93.03427	1.2
94.02977	0.6
96.96004	0.5
107.11255	0.5
120.02125	0.9
121.02955	32.1
124.04031	1.9
158.10588	0.5
165.05580	0.6
165.12898	1.0
166.45554	0.5
179.03510	0.9
190.99849	1.2
209.04608	4.0
209.11816	100.0
209.94925	2.0
210.12157	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01134	0.4
55.01873	3.6
55.49290	0.4
57.03437	1.9
60.34151	0.5
61.98827	4.8
69.03454	1.4
70.99162	0.8
71.01394	0.7
71.05021	1.4
78.83666	0.4
80.02660	1.0
81.03463	5.2
83.01386	33.8
83.05017	3.9
84.02164	1.7
93.03484	0.9
95.05022	1.3
97.02958	0.5
97.06590	6.1
108.02113	0.5
109.06577	0.7
111.08154	1.4
121.02072	1.1
121.02954	19.5
123.08157	2.7
124.04046	1.3
125.09724	29.6
126.10076	1.2
135.08194	3.0
136.98888	0.4
147.11777	1.1
148.42453	0.4
153.12938	0.6
163.11285	12.1
165.12846	4.4
167.10736	0.5
173.09708	0.8
181.12340	2.1
190.99901	0.8
191.10782	9.3
192.11162	0.5
209.04544	2.7
209.11819	100.0
209.94913	1.4
210.12158	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03442	1.7
59.01371	1.9
61.98829	21.2
65.00311	1.3
66.03489	0.8
67.01886	0.8
69.03456	1.9
71.01380	8.7
71.04999	0.9
80.02673	1.4
81.03455	1.5
83.01363	0.8
83.05024	2.6
85.02934	1.1
91.01889	2.2
92.99813	2.7
93.03444	3.3
94.02995	2.1
95.01379	1.3
95.05051	1.6
97.06580	1.6
107.05032	0.9
108.02168	1.3
111.08152	1.2
120.02148	1.5
121.02950	100.0
122.03346	2.2
124.04026	7.5
125.09734	2.8
135.04482	2.1
136.01627	1.4
136.98775	1.7
137.02444	2.2
137.06046	1.3
147.11797	1.2
151.11276	12.9
161.09644	0.8
163.00359	1.0
163.11295	2.8
164.98264	1.9
165.01859	1.2
165.05495	0.9
165.12852	7.7
167.15652	0.8
173.09724	1.1
179.03482	2.3
179.10773	2.1
181.05020	0.9
181.12346	14.2
190.99849	8.1
191.10735	8.2
194.02229	1.6
194.05869	1.4
209.00993	3.7
209.04547	12.8
209.08202	2.0
209.11804	53.4
209.94897	5.1
210.12128	1.7
220.64325	0.7
222.72427	0.8
229.04730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.69849	0.5
70.70194	0.2
76.08306	0.2
83.85585	0.2
94.28098	0.2
106.43567	0.2
115.78114	0.2
153.79683	0.3
163.95609	0.4
164.96388	0.3
168.44380	0.3
183.98463	0.2
209.94879	28.6
210.94949	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	211.0613
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
58.62741	1.0
59.01369	3.4
61.98834	2.1
69.76345	1.0
70.67629	1.4
70.67953	2.0
71.46269	0.9
72.99303	2.8
75.47555	0.9
77.38702	1.1
78.95902	1.1
81.03432	1.8
83.02951	1.0
93.03461	2.0
95.01411	6.5
95.04958	1.0
96.96009	3.4
97.02924	1.1
107.05009	3.9
107.16052	1.0
108.02176	8.7
109.02957	15.4
113.99589	1.2
116.47454	1.3
117.19110	0.9
120.02162	12.1
121.02956	2.6
123.00874	2.4
123.04543	12.0
123.17581	1.0
124.01672	1.7
125.02486	1.4
134.03770	2.7
135.04489	2.3
136.01662	5.8
137.02470	5.5
137.06097	1.6
138.03195	1.8
139.04031	1.4
148.01671	92.0
149.02266	4.4
149.06078	1.4
150.03203	1.7
151.04041	4.7
153.05582	86.0
154.05911	2.6
154.12355	1.0
163.04010	93.3
164.04283	2.3
165.01878	3.5
165.05557	1.0
166.02739	8.1
168.06754	1.0
173.56377	0.9
179.03496	3.1
181.05067	100.0
182.05392	3.9
183.13924	2.1
193.04953	2.0
196.03755	9.4
211.04083	2.4
211.06071	36.2
211.07582	1.8
211.09506	1.9
211.13354	12.0
212.06511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.0
70.85300	1.0
70.85636	0.7
71.96404	0.5
77.58051	0.4
84.43941	0.5
141.50508	0.4
155.10799	0.5
165.12816	0.7
167.10732	0.6
167.14374	1.6
183.13885	13.5
184.14186	0.6
193.12329	3.3
208.42155	0.4
211.13374	100.0
212.13692	5.2
226.50104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
63.78542	0.4
69.03461	0.9
72.62057	0.4
75.40030	0.5
108.88177	0.5
121.44447	0.5
133.34245	0.5
155.10834	0.7
160.97760	0.5
165.12791	1.0
167.10773	1.2
167.14401	1.4
173.35384	0.5
174.92365	0.5
181.12355	0.6
183.13896	16.9
184.14165	0.7
193.12361	3.6
211.04047	1.1
211.13385	100.0
212.13695	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	213.0557
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
65.31010	0.3
68.89323	0.3
69.69522	2.0
72.50010	0.4
79.16412	0.4
98.19907	0.6
130.04230	0.6
131.05028	2.7
141.07074	3.0
143.05037	1.1
145.03008	0.8
154.04254	1.6
157.06552	0.4
158.03746	1.9
159.04507	3.7
161.06082	0.6
167.05025	7.8
169.06580	100.0
170.06926	4.9
171.04436	0.8
185.02420	0.9
185.06044	1.0
187.03996	55.4
188.04352	2.3
212.04826	1.2
213.05559	24.3
214.02757	0.5
214.05927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99956	0.5
59.01384	0.9
61.98817	0.8
63.77088	0.4
67.93974	0.4
70.22673	1.6
84.26370	0.4
97.02957	1.0
118.92429	0.8
120.89878	0.7
141.03479	1.4
151.00244	0.5
167.14400	2.0
169.12302	0.6
176.98276	0.6
183.13907	7.7
185.06090	0.9
194.99321	0.9
195.13889	18.4
196.14229	1.2
197.99173	0.9
211.13373	1.5
213.01923	2.5
213.05583	1.9
213.09277	2.3
213.14970	100.0
214.05023	0.6
214.15324	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.10546	0.4
54.26093	0.4
68.23798	0.3
69.64247	0.7
69.64642	1.3
72.56364	0.4
79.05690	0.4
81.78707	0.4
99.42581	0.4
101.38293	0.4
106.44457	0.3
106.67429	0.4
177.12860	0.4
183.13896	29.2
184.14230	1.2
195.13898	25.6
196.14227	0.9
211.13280	0.6
213.01888	0.6
213.14958	100.0
214.15283	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	215.0711
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
59.01384	0.2
71.50182	0.3
76.50026	0.2
96.61681	0.2
122.89420	0.8
124.02791	0.2
128.58191	0.2
144.00922	0.8
144.39641	0.2
153.12859	1.5
172.05275	3.2
186.89803	0.7
187.07683	0.3
197.11798	1.7
200.04787	31.8
201.05106	1.4
215.01160	5.2
215.07114	100.0
215.12686	2.9
216.07454	5.3
232.03746	10.7
233.04056	0.5
235.00893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95671	0.4
59.01377	100.0
59.34285	0.5
60.01701	0.8
70.06435	1.9
70.06779	0.5
89.48211	0.5
90.97134	1.8
114.96725	0.4
118.96664	0.9
132.98218	2.6
160.97643	0.5
174.99242	28.4
175.99467	0.5
217.00275	24.3
218.00696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64194	0.7
59.01380	100.0
61.98829	24.4
63.92274	0.6
71.40595	1.1
74.73494	0.6
90.97136	1.7
96.96011	16.0
107.44946	0.6
116.92854	1.3
122.89372	1.0
124.89125	43.7
132.98172	3.4
158.84743	0.9
170.88496	10.3
171.87828	0.8
174.99236	27.1
188.89453	21.7
199.85115	1.8
216.85406	0.6
216.87918	1.9
217.00266	27.3
217.04948	0.8
217.08807	0.7
217.87001	0.7
218.04507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16241	0.4
52.51305	0.4
54.84697	0.5
57.24945	0.3
57.98819	0.4
59.01377	100.0
60.01711	0.8
71.01377	1.0
71.48540	0.9
82.65787	0.5
88.04028	0.7
90.97139	2.1
92.70952	0.5
102.84045	0.4
118.96609	1.0
125.00657	0.4
132.98203	2.1
164.50970	0.4
174.99231	27.0
175.99619	0.7
187.10883	0.6
217.00252	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0868
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.46148	0.4
53.71733	0.4
55.18608	0.3
59.01368	0.8
60.15007	0.3
92.83997	0.4
98.19787	0.8
105.81023	0.3
121.02959	0.5
135.04509	0.8
143.08649	1.0
145.02933	0.6
146.03702	1.2
147.04494	1.2
158.03749	0.5
159.04507	32.5
160.05074	2.2
161.06065	0.8
163.03961	2.6
166.01025	0.4
169.06665	0.5
171.04546	1.4
171.08133	2.0
172.05243	0.9
173.06082	6.6
174.03212	1.3
174.06801	1.5
174.09187	0.4
181.06659	0.6
184.05296	0.4
187.04012	19.1
187.07623	9.3
188.04779	100.0
189.05157	3.9
189.09212	5.4
197.06056	3.8
198.06642	0.8
199.07635	22.5
200.08026	1.2
201.05544	1.0
202.06377	2.0
215.07188	0.5
217.08687	88.7
218.09053	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	217.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49907	0.5
52.23193	0.5
59.01381	100.0
60.01705	1.2
62.09240	0.5
70.88607	1.0
72.00893	0.7
74.02478	9.1
77.62599	0.5
82.06631	1.3
85.04095	0.5
90.97157	2.0
102.39983	0.6
104.03533	1.3
106.28728	0.6
126.09267	2.3
128.45557	0.6
130.08734	1.0
132.98206	3.2
139.08759	1.3
141.10342	2.1
143.11903	9.4
149.85115	0.6
153.10335	0.8
155.11903	9.8
169.09851	3.5
173.09390	0.8
174.99248	27.3
177.37177	0.5
187.10880	32.4
188.11218	0.8
192.87117	0.6
217.00293	23.2
217.11913	12.6
218.00600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01193	1.1
59.01375	100.0
64.90672	1.0
69.82437	1.0
70.69067	2.8
71.01387	1.3
71.05004	1.7
73.04073	13.5
85.02938	1.5
87.81139	1.0
88.04051	7.3
90.97090	2.5
93.03456	1.0
99.04494	1.6
117.03448	2.6
130.08728	88.5
131.01755	1.2
131.09041	2.0
132.98177	3.1
133.02928	1.8
143.11885	22.8
145.02992	6.4
146.08194	5.1
161.02402	5.9
173.02464	2.2
174.05788	1.3
174.99223	27.0
187.10858	95.6
188.11241	2.1
189.01982	5.3
199.10841	1.7
217.00157	21.9
217.05020	3.0
217.07066	2.1
217.11914	40.9
218.10298	2.5
220.28931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.89994	0.4
59.01381	3.5
67.37235	0.4
69.63013	2.3
71.01379	11.8
71.05020	18.3
72.00897	0.8
75.00835	0.4
80.96521	0.7
83.01420	0.5
85.02940	0.5
88.04042	100.0
89.04388	0.7
93.03474	0.8
98.19882	0.4
99.04523	5.8
107.05065	0.8
116.03568	0.5
116.07165	1.9
123.04540	0.8
129.05573	0.6
130.99501	0.5
133.02954	1.4
134.03775	0.9
146.08234	49.2
147.08575	1.0
162.06378	0.5
171.81578	0.4
173.06110	0.5
174.05597	0.7
177.05571	6.4
201.05557	1.5
203.19717	0.5
218.04652	0.9
218.10324	21.9
219.06628	1.7
219.10535	0.7
219.17552	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	219.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.1
60.01704	0.2
61.98827	100.0
69.29489	0.4
69.29893	1.2
71.01390	0.3
80.24760	0.2
93.43507	0.2
98.19903	0.4
99.37717	0.2
101.02500	0.2
120.33785	0.2
121.57906	0.2
145.78476	0.2
159.97473	0.3
160.84268	0.4
161.04698	0.3
177.96657	0.4
178.98532	0.9
219.17545	2.4
219.97758	3.1
220.14751	0.2
220.17862	1.9
220.99564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0453
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
50.29910	1.5
58.00585	11.6
59.01375	27.7
69.98951	8.4
71.01351	2.9
72.99312	3.6
77.22591	1.7
83.01392	2.4
86.00094	3.2
87.00871	25.2
89.04005	1.6
93.03455	51.0
99.00866	12.1
104.17004	1.7
105.03535	1.7
107.05007	10.6
108.02097	2.1
113.99576	36.5
115.00375	18.8
119.05013	55.4
119.05828	3.8
121.06583	5.2
123.04525	23.6
124.39707	1.6
130.04240	3.3
130.64450	1.7
131.04993	4.9
132.02168	4.3
133.02951	100.0
134.03300	2.3
135.04509	17.8
137.06107	2.2
139.12213	1.9
147.04518	32.7
149.06050	9.9
159.04471	1.9
163.03987	9.5
165.04164	4.1
165.05556	74.4
165.39365	1.6
175.04042	12.2
177.05655	2.0
193.05045	30.7
194.05307	2.2
203.03474	22.7
221.04547	48.1
222.04936	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	221.1545
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01378	0.8
62.51049	0.1
66.03452	0.2
70.41560	0.5
117.88171	0.2
127.07634	0.7
148.05298	0.3
149.06023	0.4
151.07631	0.4
164.08405	2.3
205.12309	2.0
206.12662	1.1
207.13864	1.2
208.14217	0.2
220.14667	4.3
221.15436	100.0
222.15781	5.6
235.13365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0283
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
52.18224	0.3
52.95242	0.3
59.01365	1.0
59.96722	0.9
65.00308	0.7
68.99817	0.5
70.41005	0.4
74.99072	15.7
75.96203	0.5
83.01331	0.5
88.67449	0.4
89.00345	1.6
89.91458	0.4
90.19189	0.4
93.00164	4.4
93.03508	0.5
95.55157	0.4
98.20775	0.9
107.01367	0.8
116.61706	0.4
135.00871	0.6
141.58644	0.4
141.86800	1.0
149.00946	10.9
150.99022	0.6
151.00394	1.0
151.04036	0.5
166.06316	0.5
176.83676	2.4
176.98274	3.1
178.99831	1.9
193.01414	0.7
194.99324	3.5
206.99702	4.9
208.03763	0.8
223.02820	100.0
223.13322	3.8
224.02875	7.6
241.03827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01388	3.1
61.27742	0.7
65.00341	1.2
69.03440	1.0
70.84984	1.7
70.85352	1.1
71.01392	0.9
84.78777	0.8
85.02965	0.7
89.00373	0.9
91.05555	1.0
93.03456	8.3
101.02460	0.7
109.02979	0.8
117.03450	1.4
119.05055	1.2
121.02955	33.6
122.03313	0.8
123.00856	0.7
132.02151	1.3
135.04524	6.4
137.02422	1.6
147.04521	4.5
149.02434	100.0
150.02750	2.6
151.04018	1.2
152.01134	8.5
155.72829	0.9
163.03996	10.2
164.04787	53.0
165.01924	6.3
165.05107	2.2
167.03444	2.1
167.10756	1.0
169.05052	4.0
179.07149	7.6
179.14406	1.4
193.01408	36.8
194.01654	1.3
194.99316	1.2
195.13863	2.8
205.12277	1.9
208.03755	55.1
209.04114	2.3
222.23746	0.7
223.02708	3.0
223.06085	38.9
223.13385	9.1
224.06470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.62489	0.5
57.03442	1.4
59.01376	7.3
69.03452	8.5
69.30366	3.2
69.30767	1.0
70.47581	0.5
71.01369	0.9
71.05008	2.2
83.05018	1.4
85.06604	1.3
91.53503	0.6
93.03457	0.8
95.05034	1.4
108.05809	0.6
109.06577	1.8
111.08143	0.7
125.09706	1.5
135.11803	0.9
141.09224	0.6
149.09709	1.5
161.13332	0.7
166.06400	0.7
167.10774	11.7
177.12848	1.9
179.10800	5.1
179.14398	12.0
181.80339	0.5
195.13890	32.7
196.14200	1.0
205.12334	24.3
206.12727	0.8
223.02748	1.8
223.13379	100.0
224.13722	4.8
224.22905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
59.01365	5.5
61.63334	1.1
69.03457	7.3
71.05029	3.1
71.05537	2.1
74.63702	1.1
83.04994	1.3
95.05031	1.3
105.45219	1.1
109.06561	1.4
146.60954	1.2
161.13286	1.5
167.10808	9.9
177.12820	2.1
179.10774	4.2
179.14380	13.6
195.13918	30.9
196.05301	12.3
205.12311	21.7
206.12581	1.2
223.13391	100.0
224.04811	11.0
224.13690	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.08338	0.8
57.03437	1.5
59.01382	9.2
61.98827	14.6
69.03452	7.4
69.19032	1.5
69.19427	8.1
71.01375	2.5
71.05007	3.5
74.99047	1.2
83.04996	1.9
85.06577	1.6
85.55627	0.8
95.05001	1.2
101.02433	1.9
106.07733	1.0
109.06606	1.8
113.25856	0.9
125.09755	1.8
145.25095	0.9
149.09743	1.7
151.00398	0.9
161.13322	1.2
166.06366	1.4
167.10785	10.1
176.83679	1.2
176.98291	1.1
177.12875	2.8
178.99854	0.9
179.10762	5.0
179.14381	11.0
180.73431	0.9
180.94203	0.9
193.01434	1.8
194.99338	2.4
195.13887	28.6
196.14259	1.0
205.12318	22.5
206.12769	1.1
208.03738	2.5
222.95201	1.7
223.02646	5.5
223.13387	100.0
223.16972	3.0
224.13731	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.82950	0.4
53.85162	0.5
57.03445	2.1
59.01381	6.0
61.98820	1.7
65.82063	0.4
69.03451	9.6
71.01379	1.2
71.05019	2.6
73.06630	0.4
83.05024	1.4
85.06571	2.1
89.00317	0.5
93.03464	0.6
95.05042	1.1
96.63560	0.4
97.06554	0.8
107.08664	0.7
107.78892	0.4
108.05835	0.7
109.06576	2.1
111.08183	0.6
123.08145	0.5
125.09713	1.2
135.11818	1.0
141.09221	1.0
149.09773	2.2
153.09239	0.6
161.13382	1.3
164.52388	0.5
167.10771	12.4
168.11115	0.6
176.98381	0.6
177.12834	1.4
179.10818	5.2
179.14401	11.4
180.14771	0.8
187.11249	0.7
193.01657	0.5
194.99405	0.8
195.13892	30.0
196.14249	1.2
205.12315	21.3
205.28369	0.4
206.12637	1.2
208.03758	0.6
222.98883	0.8
223.02817	1.7
223.13379	100.0
224.13683	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85554	0.7
59.01354	1.9
60.22065	0.8
67.99301	0.7
69.03449	0.7
69.45996	4.6
71.05022	0.7
81.03429	1.1
83.05017	1.4
83.38386	0.6
93.03430	1.8
97.02937	10.7
99.00856	2.9
109.06612	5.1
110.03719	5.6
111.04482	0.7
125.09756	1.0
135.08148	1.9
136.05287	2.9
142.02711	5.7
161.09714	1.5
163.11278	12.8
169.06552	2.0
179.10753	0.9
181.12326	32.1
182.12576	0.8
183.04457	0.8
197.06055	1.6
197.11748	1.5
198.06801	2.2
206.99481	0.7
207.10246	81.3
208.10646	4.3
225.05518	2.5
225.11305	100.0
226.06325	8.4
226.08708	1.7
226.11597	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26699	0.6
51.40571	0.7
55.56428	0.8
58.80860	0.7
59.01119	0.7
59.01379	8.4
65.00310	0.9
69.03438	1.2
71.05000	1.0
71.50317	1.0
80.02659	1.7
81.03455	3.8
83.05025	4.8
84.02129	2.4
92.94785	0.7
93.03460	3.6
95.05019	1.3
97.02950	13.0
97.06550	0.8
99.00887	1.2
99.04484	1.3
107.05047	1.1
109.02937	0.9
109.06588	43.4
109.16621	0.8
110.03751	4.3
110.06903	1.4
111.04545	0.9
111.24845	0.8
121.06615	3.5
122.05225	0.7
123.04482	1.3
125.09665	1.3
126.90490	1.4
133.06590	0.9
135.08142	5.5
136.05254	2.7
136.98721	0.9
137.02400	2.0
142.02702	7.8
145.10176	1.6
161.09682	1.9
163.11285	27.0
164.11598	0.9
169.06528	0.9
170.51881	0.7
179.10757	1.4
180.04317	1.0
181.09892	0.8
181.12328	20.2
182.12614	1.1
189.09189	0.8
195.02869	1.0
197.02539	0.9
197.06129	1.4
197.11832	1.0
198.06894	1.3
206.48863	0.8
206.99370	1.3
207.10240	98.4
208.10529	4.2
210.03296	0.9
224.90578	1.2
225.00291	1.1
225.05501	2.1
225.11302	100.0
226.06390	7.5
226.11612	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	225.1496
Annotation	Annuionone E
Peak:m/z	Relative Intensity
58.79440	0.6
59.01377	3.5
60.62141	0.6
61.98830	5.7
62.84673	0.5
65.00319	1.0
71.01344	0.5
81.03465	1.0
83.05004	2.3
89.99731	0.5
93.03445	4.9
95.05019	1.1
97.02930	1.0
109.02995	0.8
109.06583	1.6
116.70049	0.5
123.88947	0.6
126.90475	2.1
134.03757	1.0
135.08124	0.8
137.02396	2.3
143.86363	0.7
163.11259	1.7
163.14848	0.9
165.01949	1.0
169.12323	1.4
174.22417	0.6
177.12813	0.7
178.83363	1.3
179.14346	0.9
181.12321	3.2
181.15901	1.3
189.12807	0.7
195.03041	0.7
195.13914	9.3
197.06021	1.0
197.15468	3.9
206.99327	1.6
207.10374	5.0
207.13878	24.7
208.14211	1.0
210.05305	1.4
224.90462	2.0
225.00360	2.1
225.02257	1.0
225.05638	2.4
225.09193	3.6
225.11331	7.1
225.14946	100.0
225.92694	1.8
226.06421	1.2
226.11690	0.6
226.15286	5.0
239.86613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16121	0.3
54.34915	0.3
73.27604	0.3
98.20766	0.5
117.28839	0.3
118.91446	0.2
149.09044	0.3
159.49191	0.3
169.06578	17.4
170.06924	0.8
176.55060	0.3
181.06619	0.5
182.07367	7.2
183.04498	3.2
183.13892	0.5
184.04935	0.6
195.79259	0.3
196.05298	1.1
197.06071	14.1
198.06856	27.1
199.07210	1.4
206.37560	0.3
207.04495	0.6
209.06001	1.1
209.11803	1.0
210.00124	0.3
225.03273	0.4
225.05566	15.3
226.06345	100.0
227.06686	5.3
227.12766	0.5
229.62440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88058	0.2
69.93732	0.9
98.20652	0.2
169.06577	15.8
169.39441	0.2
170.06932	0.8
175.37860	0.2
180.11761	0.2
181.06602	1.0
182.07343	6.1
182.08917	0.4
183.04507	3.2
183.07736	0.4
184.04947	0.3
189.78667	0.2
196.05273	0.4
197.06059	13.1
198.06834	25.4
199.07167	1.3
199.13307	0.2
207.04616	0.5
209.06133	0.9
225.05550	15.1
226.06332	100.0
227.06683	5.7
227.08986	0.3
227.12810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.4
69.35089	1.8
72.19623	0.2
79.90671	0.3
81.22137	0.2
83.36298	0.2
98.20634	0.4
113.87061	0.2
169.06580	18.8
170.06941	0.8
181.06552	0.8
182.07368	7.2
183.04517	3.3
183.07657	0.3
183.13937	0.5
184.05006	0.5
196.05304	0.9
197.06076	15.9
198.06845	29.9
199.07191	1.8
207.04514	0.6
209.06068	1.8
225.05562	17.7
226.06337	100.0
226.94682	0.3
227.06693	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	226.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66283	0.2
69.55557	0.9
69.55962	0.5
81.38257	0.2
81.40815	0.2
91.93622	0.3
98.20598	0.4
135.69008	0.2
163.11272	0.3
169.06583	2.2
173.99487	0.3
180.05901	0.3
181.06551	1.1
182.07356	7.5
183.04503	0.5
183.07733	0.5
183.13870	0.6
184.05244	0.6
196.05200	0.4
197.06058	5.4
198.06833	13.2
199.07201	1.0
199.13226	0.3
208.10579	0.5
209.11798	1.8
225.05579	2.9
226.06337	100.0
227.06685	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	226.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.5
68.05025	0.2
70.28479	0.4
70.28880	0.4
75.01901	0.2
98.20583	0.2
116.22974	0.2
128.26216	0.2
145.90547	0.2
165.12827	2.1
169.06543	0.8
180.05846	0.2
181.06551	1.4
182.07336	11.9
183.07709	0.6
183.13884	11.8
184.05290	1.8
197.06039	4.6
198.06834	4.6
199.07076	0.2
209.11765	1.1
211.03883	0.3
213.05566	0.2
225.05542	2.3
226.06322	100.0
227.06668	5.8
227.12845	2.1
227.20224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0713
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
63.13829	0.2
63.28633	0.2
65.04003	0.2
69.23447	1.0
69.23869	0.6
71.34151	0.2
72.46233	0.2
75.53476	0.2
80.30090	0.2
83.05023	0.2
89.56074	0.2
103.97961	0.2
109.06488	0.2
111.00818	0.2
118.61644	0.2
141.07130	0.3
143.04976	0.5
155.08714	0.3
157.06596	1.4
158.07214	0.2
159.08151	4.1
165.12856	0.4
167.04962	0.5
168.05774	0.7
180.05827	0.4
181.06598	4.4
182.07339	1.8
183.08134	16.5
183.13873	1.8
184.08469	0.9
185.06071	8.3
185.07753	0.3
186.06450	0.3
199.07578	0.3
207.04515	0.3
209.06061	0.8
209.11737	1.8
227.07120	100.0
227.20230	0.7
228.07463	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.36545	0.5
65.76299	0.4
68.76508	0.6
70.60888	1.2
83.05043	1.2
111.08122	1.3
125.04543	0.5
165.12839	21.1
172.83757	0.6
181.06590	0.6
183.08139	1.7
183.13887	100.0
184.14221	4.1
184.62329	0.5
185.06157	0.5
209.11823	5.2
212.31471	0.5
227.03514	1.1
227.07118	12.3
227.09335	0.9
227.12842	16.7
227.20116	1.7
228.07556	0.7
228.10339	0.6
228.13167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34111	0.5
69.27827	3.7
71.05021	0.6
72.36386	0.4
80.02678	2.0
81.03449	2.5
83.05022	6.6
84.02171	3.6
95.05016	0.7
125.06029	0.7
125.09721	0.4
135.08121	1.0
159.08131	0.5
163.11284	4.4
165.12823	4.1
181.12271	0.8
183.08038	0.8
191.10762	1.7
198.06531	0.7
199.07155	1.0
209.11813	100.0
210.12154	4.5
223.42618	0.4
227.06860	9.9
227.12877	3.2
233.02348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.30070	0.4
58.15341	0.4
58.81599	0.4
69.03437	0.5
69.37927	3.8
75.73870	0.4
80.02672	2.1
81.03449	1.9
83.05025	6.8
84.02164	3.4
89.66801	0.4
95.05031	0.8
98.20646	1.0
108.35278	0.4
125.06038	0.9
135.08154	1.2
136.77211	0.5
153.22462	0.5
163.11273	5.7
164.11537	0.5
165.12823	4.3
181.12431	0.5
183.08060	0.6
183.13855	1.0
185.17207	0.5
191.10809	1.5
199.13208	0.6
209.11804	100.0
210.12148	4.5
227.07082	1.1
227.12917	3.3
244.87494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72947	0.5
59.01373	0.7
67.01878	0.7
69.32460	4.1
79.30846	0.6
95.01371	1.4
99.92580	0.8
111.00893	0.7
137.02536	0.6
139.00325	1.0
139.11264	1.5
142.99826	0.6
154.99881	0.8
165.12830	1.7
181.42036	0.6
183.13893	5.4
184.46634	0.6
208.97215	0.7
209.11806	2.3
226.80211	0.7
227.07161	0.8
227.12766	2.1
227.20151	100.0
228.20428	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	227.2015
Annotation	Myristic acid
Peak:m/z	Relative Intensity
52.42620	0.6
54.38512	0.5
54.81219	0.6
69.29576	4.3
76.67293	0.5
78.65752	0.5
98.20598	1.4
102.52304	0.6
115.73877	0.6
194.68918	0.5
196.95103	0.6
198.46307	0.5
209.80539	0.5
227.20148	100.0
228.20461	4.7
230.48311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
59.45911	1.2
66.03496	1.6
71.01395	0.9
71.49246	1.1
72.99300	2.2
73.01168	6.2
73.04055	3.6
76.80924	1.1
80.05054	2.5
82.02984	7.7
86.08478	1.0
96.04549	29.6
98.02422	1.0
98.99102	5.7
104.57814	1.0
108.04550	27.3
114.00192	89.7
115.00503	1.3
128.90495	1.0
130.08742	21.7
132.98180	1.5
142.03316	100.0
143.03691	2.5
143.11920	5.6
145.79865	1.0
180.75487	0.9
186.00603	2.1
186.02293	42.6
187.10875	20.7
188.97191	1.8
215.05821	1.6
230.01260	74.1
230.10368	1.7
230.15527	2.4
231.01463	3.0
231.13506	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.0
59.01377	100.0
67.95035	7.8
69.39746	44.3
71.01390	86.1
73.02956	29.1
83.01398	12.4
84.89146	7.2
85.02956	16.8
98.20682	13.4
99.00883	31.4
101.02457	11.6
104.03531	17.2
111.00877	29.7
115.00391	10.3
117.05566	23.7
118.98110	15.5
129.01955	28.3
129.26222	7.6
132.98213	8.2
197.34163	7.8
212.17970	7.4
214.91385	9.1
233.15393	75.3
234.09808	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.9
59.01381	100.0
69.89205	5.7
70.74428	10.7
71.01383	51.6
73.02940	22.2
83.01372	12.0
85.02949	15.5
87.00887	9.5
93.03481	9.9
96.95966	10.1
97.16932	5.4
99.00880	25.1
101.02435	24.0
111.00889	15.0
113.02466	5.8
117.05589	20.1
122.05063	5.4
128.03516	5.7
129.01924	15.6
145.00865	21.1
145.02916	10.3
147.06638	32.9
154.97816	5.7
160.89229	6.7
182.65659	5.6
189.05525	7.2
233.10320	11.4
233.15494	87.9
234.09831	6.6
234.15793	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
59.96719	0.7
60.97499	0.8
69.18048	1.5
69.18465	1.1
72.07329	0.3
74.99066	9.0
88.42464	0.3
91.02217	0.9
93.00111	1.7
93.03439	0.5
117.72085	0.3
118.96252	1.6
133.02922	0.3
134.99399	8.2
136.97324	2.0
143.05293	1.4
149.00954	73.2
150.00922	2.3
150.98869	0.7
153.93922	0.3
159.08450	2.1
161.02444	0.3
161.06403	3.5
162.06888	0.4
173.04651	0.6
185.59042	0.3
189.05522	0.5
201.04077	0.3
215.05618	1.7
215.09218	0.3
217.07196	100.0
218.07329	6.0
233.10320	95.8
234.10487	6.2
234.15694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0611
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
55.01871	6.6
56.89912	2.5
59.01377	6.1
68.99813	12.8
71.01383	18.5
73.02946	2.4
77.41503	2.1
81.37252	2.4
83.01376	16.2
87.00845	2.6
87.05639	25.4
93.03460	35.6
96.99326	8.1
99.00878	42.2
101.02457	2.2
105.03472	2.8
107.05034	19.1
111.00875	17.9
117.03477	5.7
119.05019	29.8
121.02964	3.4
123.00892	5.8
123.04505	23.2
131.05060	2.5
132.02158	6.4
133.02954	70.8
133.06648	6.6
134.03761	11.0
135.04565	11.1
145.02974	7.5
145.06569	7.0
147.04460	14.6
149.06071	100.0
150.06367	4.8
159.04485	3.9
161.02396	2.6
161.06076	77.5
162.06432	3.0
163.04018	12.4
165.05585	4.8
177.05565	92.3
189.05577	24.8
191.07095	7.1
205.05057	68.2
206.05537	3.1
217.05054	33.4
218.05368	3.2
235.06038	24.1
235.10918	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	235.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.5
57.03448	9.1
58.00592	4.4
59.01376	82.4
59.95643	1.6
69.03493	1.5
69.83893	8.2
71.01379	90.5
71.05009	3.3
72.99308	6.4
73.02942	37.6
73.06583	3.0
74.03245	1.6
80.20106	1.9
83.01382	26.9
85.02947	55.0
86.00108	2.8
87.00887	4.6
89.02435	5.9
95.01371	7.3
95.49916	1.6
97.02966	2.4
99.00880	18.1
101.02439	100.0
111.00892	2.7
113.02447	38.6
119.05014	2.3
129.01933	3.0
143.03458	3.1
159.02988	4.8
161.04547	15.4
163.07637	3.3
191.03236	1.8
235.09738	3.4
235.11803	18.9
249.34215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1186
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
54.94487	1.5
55.01876	15.3
57.03448	6.7
58.00580	3.4
58.10815	1.5
59.01378	82.3
63.53891	1.5
68.99802	1.4
69.89523	1.4
70.09841	3.1
70.10223	3.3
71.01378	88.5
71.05025	2.1
72.01722	1.8
72.99291	5.3
73.02946	40.7
73.06578	3.3
75.00845	2.7
83.00917	2.1
83.01382	21.8
85.02944	55.2
86.00071	1.6
87.00867	3.3
89.02443	8.2
95.01397	8.8
96.91950	1.6
97.02925	2.7
99.00869	17.1
101.02438	100.0
102.02782	2.1
111.00872	3.4
113.02447	39.2
113.12064	1.6
119.03514	2.5
125.02427	1.6
129.01933	3.7
143.03407	2.3
143.07150	1.7
150.40874	1.3
157.12486	1.3
159.02956	5.5
161.04544	19.8
217.04811	1.3
224.34865	1.4
235.06194	2.8
235.11847	24.2
246.98425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1701
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
59.01076	0.4
59.01375	6.4
61.39036	0.3
61.98819	0.7
71.01373	1.8
71.50623	0.4
73.02943	0.9
79.95727	0.6
82.50571	0.3
83.05012	0.9
85.02953	0.6
87.00869	0.3
91.01891	0.4
94.02952	0.4
97.06554	0.4
101.02430	0.8
109.02975	0.4
113.02430	0.6
117.10200	0.3
137.02475	0.4
138.03204	1.3
148.05284	0.8
152.87253	0.3
163.00339	0.9
163.07645	4.4
163.14941	0.6
177.09085	0.4
178.14528	0.4
189.43906	0.3
190.99814	0.4
191.07121	0.8
191.18004	2.2
203.07285	0.3
210.57156	0.3
217.15942	1.2
227.06123	0.3
233.15483	1.3
235.17010	100.0
236.10252	0.3
236.17348	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	235.1701
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
58.89254	0.3
59.01371	6.1
61.98814	1.1
64.49138	0.4
71.01374	1.9
71.50730	0.3
71.51104	0.4
73.02928	0.8
79.95728	0.5
83.05038	0.8
85.02938	0.7
88.10625	0.3
93.03439	0.3
94.02970	0.7
101.02404	0.6
113.02452	0.4
115.69442	0.4
119.01404	0.6
138.99440	0.3
148.05280	1.1
152.31271	0.3
163.00371	1.0
163.03960	0.5
163.07626	4.6
163.14880	0.9
177.09193	0.5
190.99835	0.4
191.07072	0.8
191.10811	0.6
191.18082	1.9
198.47382	0.3
217.15947	1.4
233.15431	1.5
235.17004	100.0
236.10568	0.4
236.17361	5.1
238.22694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
57.03434	2.3
58.00574	1.7
59.01375	32.4
61.98827	100.0
69.24967	7.4
71.01377	42.3
71.01780	1.5
71.90098	1.0
72.99290	3.2
73.02945	16.8
74.02464	6.6
75.00870	9.2
80.96533	1.2
83.01392	10.2
85.02942	23.0
87.00877	17.4
88.04031	1.4
89.02442	8.2
95.01365	3.1
98.02479	1.6
98.16064	0.9
99.00871	5.6
101.02435	42.5
102.02734	1.4
103.26324	1.0
107.05125	0.9
108.04561	7.0
113.02447	16.4
114.02711	1.5
115.00390	1.0
119.03493	1.7
121.02922	1.1
125.02437	1.8
129.01924	3.7
142.99860	9.2
146.04553	3.3
148.07675	2.0
153.15056	0.9
159.02946	3.6
161.04546	16.6
162.05478	1.6
164.07114	2.1
174.05548	1.2
177.03777	1.2
192.06607	4.0
236.05663	2.0
237.04160	1.2
237.06235	6.9
237.09790	7.8
240.97887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25031	0.3
69.29730	2.3
80.75939	0.3
134.03729	0.8
136.05302	0.6
145.51337	0.3
148.05296	11.3
149.05969	0.6
149.09758	1.5
152.52502	0.3
161.06142	0.3
162.06880	0.6
175.07635	0.8
176.08420	1.2
177.09196	45.4
178.09538	1.6
190.10039	1.6
191.10713	1.3
192.11543	32.3
193.11974	1.7
200.59123	0.3
201.09067	0.6
203.07158	0.7
217.08653	3.6
218.07463	0.6
218.09465	9.3
219.09891	0.4
236.10513	100.0
237.10899	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03441	2.7
59.01377	14.2
61.01429	0.9
70.55441	2.3
71.01393	9.1
72.99307	2.8
73.02935	1.5
75.00874	50.7
76.09570	0.7
78.95914	6.2
83.01408	1.3
85.02960	4.6
87.00877	100.0
88.01193	1.3
89.02450	6.7
92.96004	2.1
99.00900	1.4
101.02448	6.6
113.02463	2.6
113.51762	0.8
117.01910	1.1
117.28618	0.7
118.95918	0.8
119.03466	2.3
129.01959	14.7
131.03552	1.1
132.36224	0.8
132.95496	1.8
132.99158	1.1
139.95482	0.8
146.97058	1.7
148.75932	0.9
161.04628	1.3
170.97061	1.1
174.99277	0.9
179.05602	4.8
180.28691	0.8
188.98151	1.7
213.49312	0.9
218.99103	3.4
237.06154	51.6
238.06635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03448	2.1
59.01381	16.9
61.98836	2.0
69.03461	0.7
71.01385	12.2
71.49022	0.9
72.99313	2.0
73.02953	4.5
74.02474	0.8
75.00876	32.1
77.03960	0.9
83.01397	2.8
85.02953	9.2
85.60903	0.7
87.00880	100.0
88.01212	1.5
89.02452	5.4
89.53688	0.6
93.03438	0.8
95.01382	0.8
95.05072	1.5
97.02962	0.6
99.00890	2.9
101.02448	11.6
105.03475	2.7
107.05031	1.3
108.04564	1.5
109.02946	0.7
109.04855	1.4
113.02421	3.9
115.00343	0.8
119.03466	1.2
119.05046	1.3
121.02947	2.3
122.06068	0.6
123.04510	5.9
125.02406	0.7
129.01944	13.2
149.02441	14.1
149.06110	1.5
150.05577	0.9
160.37831	0.7
161.04549	3.2
164.89520	1.4
166.08836	0.8
193.01414	9.0
193.05035	1.8
193.06935	1.4
194.08197	1.4
232.95184	0.6
237.00520	4.1
237.04219	1.5
237.06131	32.5
237.09552	1.6
238.06577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	13.3
57.03454	7.2
58.00589	3.8
59.01378	77.0
62.74323	1.3
70.06460	6.4
70.06818	2.5
71.01382	94.6
72.01714	1.5
72.99310	2.7
73.02946	41.8
75.00871	4.1
77.69347	1.4
83.01391	19.3
85.02950	52.2
87.00883	7.3
89.02444	13.2
95.01392	6.7
98.19928	1.9
99.00883	13.9
101.02443	100.0
113.02452	36.4
119.03504	2.7
125.02451	1.7
129.01939	2.9
136.07607	1.6
137.32014	1.8
143.03520	2.9
152.13626	1.5
159.02968	11.0
161.04564	31.7
172.16046	1.4
185.74889	1.6
202.11224	1.5
237.09805	22.6
258.56619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
59.96694	0.6
61.98799	0.7
69.75784	0.5
70.49239	1.6
74.99068	12.4
79.01920	0.5
87.00839	0.8
90.67419	0.6
91.02209	9.1
93.00155	3.7
95.01372	0.8
107.01341	0.5
123.00848	1.2
131.47838	0.5
149.00920	4.3
151.07655	0.6
154.06390	0.8
179.05664	3.7
179.99425	0.5
194.99393	1.0
195.13899	1.5
196.05305	1.8
206.99745	2.9
207.04074	6.7
223.02831	100.0
224.02863	6.5
224.04813	3.0
238.98425	0.6
239.06758	27.9
239.20053	1.3
240.07056	0.9
241.03899	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	239.0711
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
59.01367	1.2
60.99545	0.5
69.41142	3.6
70.48423	0.6
85.02949	2.1
98.20634	1.1
113.16069	0.5
122.60322	0.6
167.05031	0.6
169.48978	0.6
179.05605	0.9
180.05785	1.1
195.04506	4.4
196.05270	42.8
197.05563	2.5
221.11789	0.7
224.04758	100.0
225.05083	5.6
228.04181	1.7
237.10989	0.6
239.07106	85.1
239.12691	2.1
240.07515	5.8
247.84113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0713
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
69.17695	4.9
83.97987	0.5
108.97947	0.6
137.94174	0.5
144.15327	0.5
176.39212	0.5
196.05289	50.2
197.05630	3.3
223.03934	0.7
224.04774	100.0
225.05119	6.6
239.07118	49.4
240.07417	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01364	2.3
64.40366	0.6
66.49483	0.5
70.78342	0.6
70.78660	1.2
70.92576	0.5
77.67589	0.7
86.97396	0.5
87.00906	0.8
95.05013	1.5
101.06071	8.6
104.02713	0.6
109.06598	5.8
109.76975	0.5
111.08150	5.0
113.00011	0.5
113.89226	0.5
115.19926	0.5
122.03757	0.8
125.09734	1.6
136.12894	0.6
138.06863	0.8
139.04008	14.8
139.07660	0.8
145.60788	0.6
151.11276	1.3
154.06357	33.6
155.06699	1.0
164.08403	0.5
167.14415	10.2
179.05614	1.1
179.10733	5.6
180.11362	0.6
182.05870	4.2
195.13901	100.0
196.05316	2.1
196.14256	5.9
224.04803	2.2
239.07063	1.9
239.12871	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01867	2.3
57.03442	12.1
58.47897	1.0
59.01377	13.4
61.98809	1.4
67.01866	3.4
69.03438	2.5
69.27651	3.5
69.28082	4.0
69.85219	0.7
71.01375	1.6
71.05021	1.4
73.97202	0.8
75.25265	0.8
80.02679	1.1
81.03452	3.1
83.01379	4.3
83.05029	21.8
84.02176	5.4
85.02947	100.0
86.03313	1.0
87.00872	2.1
88.26740	0.7
95.05088	1.0
97.02940	6.9
102.40915	1.0
103.33509	0.9
108.02161	1.1
109.06593	3.3
110.03753	0.9
123.08162	1.2
125.09663	1.3
136.05301	1.1
142.02727	2.3
149.09676	1.0
155.05054	4.6
155.10796	6.1
161.04547	2.3
164.29977	0.8
167.05028	1.3
171.10245	6.8
173.06056	1.0
175.11227	1.0
177.12831	3.0
179.05591	12.2
182.03720	6.7
183.04507	26.1
184.04866	1.8
193.12270	7.9
195.04570	1.2
195.13860	5.2
196.05240	7.3
197.06058	38.6
210.03233	2.1
211.03987	49.2
211.13322	1.7
212.04309	1.9
221.11816	30.6
222.12120	1.3
223.02934	1.6
224.04774	12.6
225.05553	33.8
239.03503	26.7
239.07210	16.2
239.12874	79.5
239.48891	0.9
240.03793	2.7
240.07915	24.7
240.13205	3.3
248.41019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.18563	1.0
53.41583	1.0
55.01860	2.8
57.03442	13.5
59.01375	27.5
61.98813	3.3
67.01891	2.5
69.03441	1.9
71.01373	2.2
71.05003	1.3
71.50328	1.1
71.50738	1.5
73.02917	1.3
80.02661	2.0
81.03452	6.2
83.01379	6.8
83.05019	22.2
84.02152	7.8
85.02945	100.0
87.00871	6.5
95.01380	1.3
97.02950	7.9
97.06584	2.3
99.00867	2.3
109.06573	3.4
111.04474	1.2
123.00772	1.3
123.04462	1.5
125.02344	1.9
136.05351	1.1
139.07533	1.2
149.00990	1.3
149.09705	1.1
151.00375	1.4
151.11281	1.3
155.05000	1.8
155.10751	5.7
156.03067	1.2
159.11732	1.5
161.04532	3.9
167.05019	3.1
171.10280	6.0
177.12813	3.7
179.05612	27.8
180.05908	1.8
182.03706	4.2
183.04507	17.7
185.77188	1.1
193.12277	6.4
195.04544	3.5
195.08162	1.0
195.13889	6.1
196.05302	12.9
197.06068	40.2
199.31107	1.2
210.03229	2.1
211.03983	33.2
211.13342	2.5
212.04358	1.7
221.11806	32.4
223.02818	4.2
224.04779	25.4
225.05547	39.4
239.03560	21.5
239.07199	24.4
239.12865	79.4
240.03946	1.1
240.07870	24.8
240.13148	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	241.0829
Annotation	Telbivudine
Peak:m/z	Relative Intensity
51.03957	2.4
57.73919	2.6
59.01377	6.6
69.43430	5.5
69.43829	17.5
69.48328	2.9
83.47904	2.8
119.02885	2.6
125.03640	8.8
135.00900	2.9
151.05138	20.3
153.01186	5.1
153.02107	4.2
162.10213	2.7
163.00380	24.2
178.02718	31.2
181.01474	13.2
183.06686	8.4
193.05063	20.9
197.06319	2.9
198.06956	3.8
211.06114	31.2
226.02914	3.3
226.06412	38.9
227.06760	3.8
241.08524	100.0
241.39952	2.9
242.08655	3.8
262.08566	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	241.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06802	0.3
59.01366	1.2
61.98818	0.6
69.85332	0.4
71.50374	0.6
85.02965	0.5
108.02176	0.6
169.06535	0.9
182.03728	5.0
182.07341	0.9
183.04153	0.7
187.72835	0.4
192.38106	0.4
197.06033	2.5
198.06842	13.4
199.07262	0.8
225.05545	2.6
226.02711	6.8
226.06346	100.0
227.06679	5.3
241.05193	7.6
241.08698	98.9
241.21678	1.6
242.05533	0.6
242.06386	0.6
242.09016	6.5
248.63463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20648	2.0
107.12589	0.4
144.32245	0.5
169.06581	6.0
182.07335	6.0
183.04440	0.7
189.70172	0.4
197.06068	5.7
198.06844	20.6
199.07077	1.1
202.57495	0.5
207.04417	0.5
209.06094	1.8
210.06805	0.8
225.05560	9.1
226.06346	100.0
227.06711	6.0
229.80058	0.6
241.08694	61.4
242.09073	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98827	1.5
69.75826	3.1
93.88708	0.5
97.44902	0.5
101.56996	0.5
103.92006	0.9
122.79420	0.5
130.74791	0.6
131.65309	0.5
156.05811	0.7
169.06615	1.1
180.05891	0.6
181.06540	3.2
182.07321	1.2
183.04509	2.7
196.28235	0.6
197.06056	13.4
197.11743	0.9
198.06850	14.1
199.07387	1.5
214.06473	0.6
224.04866	0.8
225.05550	13.6
226.06335	61.4
227.06664	3.1
241.08696	100.0
242.09041	4.8
257.96960	0.6
259.45447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0869
Annotation	3,5-Dihydroxy-4'-methoxystilbene
Peak:m/z	Relative Intensity
57.14005	0.3
68.57989	0.4
70.25575	0.7
70.25954	0.8
91.60711	0.3
132.43555	0.4
153.18497	0.4
163.61913	0.4
169.06586	6.9
170.06886	0.7
181.06580	0.8
182.07335	7.1
183.04507	0.7
197.06052	8.1
198.06839	22.7
199.07152	1.0
207.04466	0.5
209.06018	2.4
210.06746	0.6
225.05556	12.7
226.06335	100.0
227.06622	3.4
236.97566	0.4
241.08682	80.8
242.09053	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	241.0869
Annotation	Cannithrene 1
Peak:m/z	Relative Intensity
51.59908	0.4
58.35052	0.4
61.76611	0.3
64.15865	0.4
71.27559	0.6
169.06561	5.2
182.07373	4.5
191.96590	0.4
197.06053	4.8
198.06836	20.6
199.07178	1.0
207.62102	0.4
207.77411	0.4
209.05975	0.5
225.05547	9.0
226.06335	100.0
227.06668	4.9
241.08685	83.8
242.09099	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90730	0.3
69.28029	0.5
69.28438	2.3
86.58766	0.3
99.91319	0.3
110.05858	0.3
130.79910	0.3
181.76578	0.3
182.07387	0.8
197.06036	1.2
198.06850	9.2
199.07182	0.3
225.05533	0.8
226.06345	84.9
227.06723	3.3
241.08698	100.0
242.09077	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64841	0.2
51.09331	0.2
56.36351	0.1
57.69892	0.2
58.95867	0.2
61.98826	0.2
69.15539	1.6
69.15954	0.4
87.35846	0.2
160.54494	0.2
181.06512	0.4
182.07355	4.4
183.07722	0.3
184.05305	0.3
197.06059	1.2
198.06837	8.0
199.07275	0.3
225.05598	1.0
226.06345	100.0
227.06683	6.2
241.08693	73.3
242.09042	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	241.0868
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
71.63877	0.2
98.19868	0.5
169.06587	0.4
182.07335	2.9
184.05289	0.3
197.06056	1.7
197.11862	0.7
198.06842	11.7
199.07155	0.7
225.05504	1.7
226.06331	100.0
227.06664	5.8
241.08679	87.9
242.09003	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	241.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10899	0.2
69.18383	2.4
132.62152	0.3
169.06586	3.2
182.07350	4.3
183.04485	0.3
183.07709	0.5
185.06108	0.7
197.06058	4.4
198.06841	19.0
199.07191	0.8
209.06017	0.5
213.05527	0.5
225.05554	6.9
226.06340	100.0
227.04582	0.4
227.06682	5.7
241.08688	79.0
242.09045	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	241.2172
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
50.44502	0.5
60.35782	0.5
63.13825	0.5
70.08018	1.5
70.08401	1.3
70.98292	0.5
71.09915	0.5
76.93292	0.5
101.11439	0.6
115.07971	0.5
123.47960	0.5
134.31622	0.5
158.33983	0.7
200.63066	0.5
221.49059	0.6
226.06323	1.4
241.08649	1.3
241.21707	100.0
242.22078	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
52.20701	0.8
54.05411	0.8
55.01862	1.0
58.74165	0.7
59.01377	1.3
66.03487	14.9
68.01411	2.5
70.02970	0.9
70.87863	1.8
71.01384	2.6
82.02984	30.8
83.01374	1.8
94.00371	0.7
94.02982	2.3
96.04550	2.3
108.04565	2.8
110.02483	100.0
111.02018	5.7
111.02741	1.2
112.98853	1.0
114.87859	0.7
117.01918	1.2
122.02464	9.0
123.35656	0.8
124.04050	2.4
138.01993	1.1
140.03525	9.7
142.99878	1.7
152.03542	18.4
152.78271	0.7
153.03050	10.5
173.00899	1.2
182.04585	1.1
200.05649	33.4
201.05989	0.9
226.11908	1.2
243.06200	23.0
243.08549	1.2
244.06294	1.0
244.13130	0.9
251.87514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01328	0.5
59.73122	0.2
61.98796	0.5
67.01874	0.3
68.99789	0.2
70.25818	0.8
81.03419	0.3
93.03460	7.8
95.01396	1.6
106.04238	0.4
108.02190	3.5
109.02955	4.0
109.28300	0.2
110.02427	0.9
111.00806	0.5
119.05002	0.3
121.02959	9.6
122.03751	4.8
123.00874	0.7
125.02440	0.6
135.04504	0.8
136.01637	0.5
136.05287	0.4
137.02438	3.7
143.05045	1.2
149.02435	1.3
151.04001	4.9
153.01901	0.8
157.06604	0.3
158.07355	1.1
160.05226	0.4
162.59938	0.3
171.04459	0.5
181.06607	0.4
183.08148	5.7
184.05307	0.4
184.08885	0.6
185.06068	1.8
186.06776	0.8
187.04056	0.3
199.04007	0.4
199.07613	0.7
199.11214	0.5
201.09248	2.4
210.06924	0.3
213.05492	0.5
225.05493	0.3
225.11386	0.5
227.07137	62.8
228.04199	0.5
228.07825	9.5
243.06386	2.5
243.10258	100.0
244.10611	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	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01328	0.5
59.73122	0.2
61.98796	0.5
67.01874	0.3
68.99789	0.2
70.25818	0.8
81.03419	0.3
93.03460	7.8
95.01396	1.6
106.04238	0.4
108.02190	3.5
109.02955	4.0
109.28300	0.2
110.02427	0.9
111.00806	0.5
119.05002	0.3
121.02959	9.6
122.03751	4.8
123.00874	0.7
125.02440	0.6
135.04504	0.8
136.01637	0.5
136.05287	0.4
137.02438	3.7
143.05045	1.2
149.02435	1.3
151.04001	4.9
153.01901	0.8
157.06604	0.3
158.07355	1.1
160.05226	0.4
162.59938	0.3
171.04459	0.5
181.06607	0.4
183.08148	5.7
184.05307	0.4
184.08885	0.6
185.06068	1.8
186.06776	0.8
187.04056	0.3
199.04007	0.4
199.07613	0.7
199.11214	0.5
201.09248	2.4
210.06924	0.3
213.05492	0.5
225.05493	0.3
225.11386	0.5
227.07137	62.8
228.04199	0.5
228.07825	9.5
243.06386	2.5
243.10258	100.0
244.10611	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	243.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53104	0.1
57.90111	0.2
59.01365	0.2
61.84155	0.1
61.98820	0.2
64.08200	0.1
64.39600	0.2
69.14757	0.3
69.15096	1.7
81.03458	0.4
93.03452	8.3
95.00854	0.2
95.01388	1.1
98.19873	0.4
98.32865	0.2
106.04244	0.9
107.05054	0.2
108.02170	3.7
109.02957	2.7
111.00922	0.2
119.05019	0.4
121.02949	8.9
122.03747	3.7
123.00874	0.4
124.01689	0.2
124.76382	0.2
125.02465	0.4
128.85112	0.1
135.04507	0.7
136.01653	0.2
136.05283	1.4
137.02417	0.8
139.11360	0.2
143.05016	1.0
145.06593	0.3
149.02487	0.8
149.90446	0.2
151.04010	5.0
153.01918	0.6
157.06590	0.2
158.07330	1.3
159.08153	0.3
160.05304	0.4
171.04472	0.3
181.06517	0.3
182.07333	0.2
183.08142	6.3
184.08757	0.5
185.06087	1.7
186.06854	0.7
199.07588	0.5
199.11224	0.2
201.09196	2.2
210.06773	0.2
211.07585	0.2
211.13287	0.3
212.04964	0.2
213.05615	0.4
227.07118	60.6
228.07668	6.3
243.10231	100.0
244.10582	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43673	0.6
58.78597	0.5
59.01360	0.7
66.03487	1.0
71.50079	0.7
71.50475	0.9
82.06625	5.1
84.08175	1.2
97.15564	0.6
110.02479	1.2
112.07682	1.8
114.09262	1.1
116.00040	0.7
118.97202	0.6
129.10353	5.5
130.08742	54.6
131.09117	1.3
139.07623	0.9
141.10368	1.1
142.34880	0.7
157.13446	2.1
171.04541	0.6
182.15511	5.3
199.03638	0.6
199.18156	30.1
200.18497	1.1
228.04102	0.8
243.06537	1.3
243.17133	100.0
244.17509	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	245.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16213	1.1
57.03436	1.8
58.00591	7.2
59.01377	20.2
61.98825	1.5
68.99822	1.3
71.01387	10.9
71.33295	1.2
71.49786	1.5
72.02160	2.3
72.99299	2.5
73.02964	2.0
74.02466	5.7
75.00832	1.3
77.45010	1.5
81.07091	2.2
83.01375	2.0
84.02190	1.4
85.02941	3.0
87.00883	15.5
89.02460	9.4
93.03455	1.8
95.05025	4.6
97.06607	15.2
99.00850	2.0
99.08155	11.2
101.02456	2.7
105.01949	3.0
107.05064	1.8
107.19756	1.2
108.02198	2.0
109.01701	2.0
109.06601	5.3
111.00867	2.4
111.08182	1.9
112.01652	2.1
113.03569	4.8
114.05585	1.6
125.06065	4.1
127.07656	100.0
128.07977	3.5
129.01930	1.5
129.09225	6.2
129.10320	9.1
130.08731	30.5
131.09042	2.1
137.06099	7.0
139.07637	7.2
140.07152	5.5
141.10333	8.6
144.00604	2.2
144.12238	2.0
147.02957	3.5
153.09148	1.3
155.07143	47.6
156.10274	2.0
157.08684	3.8
167.07106	1.9
171.06625	2.0
174.99211	1.4
183.11362	3.5
185.08206	5.0
187.04028	1.9
201.05444	1.5
210.07652	4.3
215.10393	9.2
227.10461	8.5
245.04630	1.9
245.10460	5.2
261.46487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39089	2.5
59.01373	66.8
69.20934	2.3
71.01369	6.8
71.05019	4.7
71.17698	2.6
71.50308	4.7
87.04494	3.9
96.96042	3.0
99.04500	16.5
99.08153	3.1
103.00379	13.3
115.04001	9.6
117.05551	6.5
159.04480	2.9
161.08185	100.0
162.08572	3.3
168.03044	4.8
173.06003	4.2
174.03233	2.4
175.07605	5.7
187.07359	2.4
203.03490	2.7
203.07152	8.5
247.02351	5.3
247.06052	10.1
247.13449	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	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72153	1.4
56.27420	1.2
59.01380	67.3
60.10980	1.4
61.06352	1.9
66.57056	1.5
71.01379	8.8
71.05020	1.9
71.49909	1.8
71.50336	1.7
73.02943	1.7
75.00880	2.6
85.02943	5.7
87.04527	2.5
89.97395	1.4
99.04520	12.3
99.08167	3.6
101.02445	3.3
103.00372	11.7
113.02504	2.3
115.04009	8.7
117.05584	5.8
120.21986	1.4
141.52759	1.4
143.07094	3.6
161.08197	100.0
162.08643	1.9
174.03163	2.1
175.07611	1.6
203.07028	1.9
214.30304	1.5
229.08710	3.0
247.06133	3.1
247.09637	1.6
247.11794	1.7
252.81459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.96350	0.2
59.01831	0.2
71.05292	0.4
89.62041	0.2
91.02518	0.2
112.24074	0.2
114.21988	0.2
179.07050	0.2
184.00166	0.3
199.47169	0.2
205.15823	0.4
208.60446	0.2
231.13919	0.6
247.17009	100.0
248.07950	0.4
248.17349	6.5
257.08798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.113
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
56.47401	1.3
63.48845	1.8
74.51843	1.5
83.01389	1.9
89.96469	1.3
93.03426	2.2
106.04245	3.2
107.05038	3.5
120.05786	1.5
121.03043	1.5
132.05800	1.6
133.10159	2.0
134.03705	3.6
135.04486	3.2
136.05299	9.5
143.04955	1.9
143.08623	1.8
146.03711	2.5
147.04485	1.8
150.03230	3.7
159.04500	11.4
160.05267	6.6
161.09718	19.0
162.06818	3.0
162.10094	1.7
163.07718	1.5
171.08212	7.8
173.06052	3.6
174.03223	3.5
174.06866	3.1
187.07701	2.8
188.04733	5.6
189.09206	63.2
190.09560	2.3
191.10768	32.5
194.05832	2.6
199.07645	8.5
207.10239	22.4
217.08664	17.1
219.10294	1.9
221.11818	54.9
222.12167	2.2
235.09810	1.7
248.97371	1.9
249.11299	100.0
250.11627	4.4
250.14188	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	249.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91896	0.7
58.02987	0.9
58.66217	0.8
61.58728	0.7
63.95913	0.6
69.20757	7.0
82.58634	0.7
90.15963	0.8
97.06602	1.6
106.67682	0.8
118.06622	1.4
128.05074	2.8
129.07153	0.8
131.03761	2.0
135.04575	1.5
144.04549	13.9
146.03735	1.5
146.06119	5.5
147.04559	1.3
159.04506	35.5
160.05283	3.4
161.06136	1.4
163.04004	3.4
163.07671	0.9
171.04507	3.3
171.08226	1.4
172.04001	1.0
173.06082	5.6
174.03200	1.9
175.04027	1.5
187.04010	31.0
187.07570	6.5
188.04779	100.0
189.05272	5.4
189.09206	5.0
190.04933	9.1
190.06410	3.0
197.06087	2.5
199.07607	10.7
200.08028	1.0
202.06371	1.3
204.48210	0.7
205.05045	3.2
217.08681	45.5
218.08965	2.4
219.10289	2.0
220.07431	4.3
249.11299	28.6
250.11687	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	249.1131
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.65859	0.9
52.84224	1.0
53.94774	1.2
56.84497	1.0
59.41108	1.1
69.03439	1.2
76.64425	1.0
83.01365	1.8
93.03458	2.5
95.05041	1.9
97.06635	1.2
98.20659	3.6
106.04240	1.7
107.05016	2.1
117.03471	1.1
119.05087	1.4
119.30160	1.1
121.02965	1.8
127.64809	1.3
132.05849	1.4
133.10283	1.3
134.03716	1.8
135.04506	3.2
136.05313	8.5
138.03233	1.4
145.02901	1.3
145.06519	2.1
146.03670	1.4
148.05164	1.5
150.03200	1.3
156.05888	1.4
158.33351	1.3
159.04514	14.3
160.05304	7.3
161.09717	18.8
162.03209	2.4
162.06889	2.2
162.09998	1.3
171.08141	8.2
173.06052	3.4
174.03215	3.9
174.06844	3.6
175.04030	1.2
177.01904	1.2
187.04063	3.3
187.07617	2.4
188.04768	8.5
189.05470	1.8
189.09201	57.5
190.09599	4.1
191.10771	27.7
192.11055	1.7
199.07661	7.3
202.06390	2.5
203.07072	1.0
207.10223	19.5
217.08662	13.6
218.09052	1.7
219.10257	1.4
221.11813	52.5
222.12166	3.5
249.11310	100.0
250.11674	5.9
250.14502	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	249.113
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
50.80886	0.9
59.01372	1.9
69.49006	5.7
73.02927	1.3
79.95747	4.1
84.04107	0.8
93.07124	1.5
95.05051	0.9
98.20702	1.5
99.04498	0.9
109.60139	1.0
111.04579	1.0
117.03494	1.3
133.02933	0.8
136.22394	0.7
150.06827	5.8
159.04523	2.5
161.02438	1.6
161.09615	1.2
161.13339	15.9
162.13678	0.8
163.07671	1.1
177.01950	1.5
187.04012	1.8
187.11205	1.1
188.04739	5.7
189.09193	1.5
205.01349	1.4
205.12326	100.0
206.12663	4.7
207.10344	1.1
217.08698	2.3
227.78732	0.9
248.97151	1.2
249.07608	1.6
249.11311	16.3
249.15050	10.1
250.14461	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	249.1495
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.95709	1.0
56.71762	1.0
59.01377	11.9
61.98823	1.5
62.77826	1.0
65.03951	1.5
68.99568	2.6
69.03457	37.2
70.85383	2.5
70.85748	1.7
71.01381	1.2
73.23128	1.0
81.03401	1.1
83.05023	4.5
95.05016	3.8
96.03773	1.0
97.06577	2.2
106.04251	1.6
109.06594	1.7
111.08180	2.1
112.98551	4.5
119.05003	1.3
122.37748	1.1
133.10226	1.6
134.07388	2.4
135.08105	1.2
149.09654	1.3
149.13313	5.0
151.11348	1.1
154.14517	1.3
154.97379	2.1
161.13364	2.2
167.10768	4.0
179.10800	1.3
187.14966	6.0
188.04761	2.4
191.10759	1.2
193.12358	8.1
203.14522	1.8
205.12347	12.0
205.15950	15.6
221.15459	20.2
231.13875	33.9
232.14317	2.1
248.97221	1.7
249.14948	100.0
250.14839	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	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.34241	0.5
57.97042	0.5
59.01367	2.8
70.37325	0.5
70.51656	1.2
70.52026	1.1
71.01366	0.8
98.20029	0.7
109.20615	0.6
114.41673	0.5
121.02860	0.6
133.03036	0.6
161.02435	1.0
177.01945	0.7
205.19603	0.7
231.17555	0.8
234.11711	0.7
248.97188	0.8
249.18561	100.0
250.14487	11.0
250.18828	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57508	1.3
55.01881	12.2
57.03445	6.0
58.00574	2.4
59.01380	88.9
67.26553	1.8
69.80685	1.4
70.77679	2.3
70.78014	1.7
71.01382	100.0
72.99304	3.2
73.02948	37.1
75.00869	2.5
81.03450	2.1
83.01388	17.6
85.02955	47.8
85.03477	2.4
85.04059	2.5
87.00885	4.1
89.02444	28.6
95.01409	6.6
97.02926	3.3
99.00883	14.4
101.02441	93.5
102.02785	1.5
111.00844	2.5
113.02446	39.0
119.03507	8.6
125.02432	2.5
139.34483	1.2
143.03488	3.2
155.68507	1.3
159.03000	7.1
161.03268	2.6
161.04547	37.8
175.20381	1.5
178.18352	1.5
199.01291	1.3
221.09236	3.9
251.11369	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
58.75692	0.3
59.01381	2.7
65.61098	0.4
70.24393	1.7
71.01376	1.5
73.02966	0.6
78.18328	0.4
85.02928	0.6
89.02457	0.6
91.01849	0.7
91.54805	0.4
101.02444	1.1
107.44099	0.4
113.02467	0.6
149.12962	0.4
161.04517	0.7
200.45638	0.4
233.19052	0.7
251.20142	100.0
252.20537	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0504
Annotation	Densiflorol B
Peak:m/z	Relative Intensity
59.01383	3.2
60.57712	0.5
69.26939	0.8
69.27342	3.7
76.23256	0.5
80.05988	0.6
93.58402	0.5
109.63360	0.5
138.04855	0.6
142.04231	4.2
145.01892	0.9
145.02936	7.5
158.03752	0.8
166.04227	10.1
169.02934	10.2
170.03766	1.3
173.02403	0.6
182.03697	11.0
186.03149	1.0
197.02390	1.4
198.03194	1.6
210.03209	36.2
211.03677	2.7
213.01881	4.3
214.02728	3.9
224.04735	1.2
225.05544	1.1
237.01920	42.4
238.02684	38.5
239.03209	3.9
242.02290	0.5
253.05051	100.0
254.05392	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	253.0506
Annotation	7758-73-8
Peak:m/z	Relative Intensity
51.00302	0.4
54.06795	0.4
56.29976	0.4
59.01386	3.0
59.01637	0.7
64.87433	0.3
69.53696	0.4
71.01368	0.7
72.03562	0.4
73.17730	0.3
89.02411	0.6
101.02405	0.8
119.03609	0.4
121.02918	0.7
134.43707	0.3
138.04750	0.5
141.03432	0.6
142.04233	6.2
145.02960	9.7
146.03291	0.4
154.04195	1.2
158.03717	1.2
166.04228	14.4
167.04567	0.6
169.02950	14.9
170.03606	1.4
173.02405	0.6
174.55774	0.4
182.03728	12.9
183.04042	0.7
186.03195	1.5
197.02385	1.7
198.03255	1.9
210.03207	37.5
211.03577	1.5
213.01923	4.2
214.02708	4.6
237.01913	54.7
238.02684	55.3
239.02933	2.7
242.02151	0.6
253.05042	100.0
254.05376	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	253.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.3
61.18001	0.6
65.86831	0.6
70.01664	1.8
70.02068	1.4
71.01395	2.5
83.01410	0.8
85.02959	1.4
87.18829	0.6
89.02452	2.6
101.02435	3.4
108.05527	0.7
113.02469	1.3
119.03487	0.6
161.04539	1.0
167.04990	0.8
193.07170	1.7
195.04498	93.6
196.04832	5.0
210.03043	1.0
223.03986	71.3
224.04352	4.8
237.01874	1.1
238.06339	100.0
239.06694	6.9
253.04968	2.0
253.08714	28.4
253.18045	0.6
254.08961	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01872	4.2
57.03445	1.5
58.00580	2.8
59.01379	100.0
61.27466	1.2
70.02339	6.0
71.01385	64.2
72.99316	2.9
73.02952	8.7
79.12441	1.4
83.01384	5.4
85.02947	15.0
87.00870	8.1
89.02444	61.0
90.02795	2.1
91.04020	1.3
95.01391	4.7
98.20556	2.0
99.00889	2.3
101.02441	66.9
105.95284	1.3
113.02448	29.8
119.03500	17.0
125.02448	2.8
131.03511	3.1
143.03496	6.6
149.04587	1.7
161.04555	25.6
179.05576	9.4
196.12411	1.4
253.09279	68.2
254.09735	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01600	1.8
59.01352	2.2
61.98829	100.0
83.83708	1.9
103.78194	1.8
106.36139	1.8
239.07619	2.0
254.52306	1.7
255.23347	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	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81811	0.3
59.01377	0.3
60.63377	0.4
63.02396	5.5
65.00320	8.1
68.99815	0.9
70.65241	1.0
83.01383	6.9
95.01363	0.4
96.70646	0.4
107.01382	9.4
108.02174	1.7
117.03492	0.4
123.00858	0.6
125.02390	0.5
131.76353	0.3
132.21724	0.4
136.01642	1.1
141.07088	1.0
143.04935	0.5
145.06586	7.0
151.00351	11.2
164.01154	1.9
169.01398	0.6
169.06586	3.2
171.04506	6.6
172.05238	1.7
183.08121	1.3
184.05252	0.6
185.06084	3.0
186.51833	0.4
187.07616	2.7
211.07628	3.4
213.05542	11.3
227.07098	1.1
240.04216	0.4
255.06596	100.0
255.23279	7.1
256.06961	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	255.066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46868	0.5
58.77955	0.5
61.15247	0.5
65.04858	0.6
69.45883	3.7
93.14001	0.5
111.26138	0.6
124.19466	0.7
125.56023	0.5
142.35855	0.5
145.02890	0.6
167.05009	7.5
168.05751	0.8
181.06691	0.7
183.04544	2.2
184.05278	33.3
185.05618	1.7
199.07610	8.4
203.90482	0.6
211.01917	1.0
211.03987	27.4
212.04767	37.0
213.05153	1.9
217.08559	0.9
225.13727	0.5
227.07130	9.0
228.07484	0.9
239.03487	40.8
240.04254	24.4
241.04642	1.2
243.06709	1.2
247.17378	0.6
253.04811	0.7
255.06610	100.0
255.23286	7.5
256.06921	7.2
272.03284	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	255.066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45651	2.5
69.46060	1.0
107.01326	0.5
165.70714	0.4
183.04472	2.3
184.05272	71.1
185.05632	2.1
196.05223	0.6
199.07629	15.6
200.07994	1.1
211.03972	9.9
212.04761	28.3
213.05228	1.8
215.03598	0.7
217.08693	1.3
219.29019	0.5
227.07103	13.2
239.03464	29.5
240.04208	15.9
241.04625	1.2
243.06580	2.5
255.06592	100.0
255.23285	4.0
256.06952	4.7
272.03244	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	255.066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78268	0.4
57.04785	0.4
58.01953	0.4
66.91783	0.4
69.61882	2.4
95.47265	0.4
107.01359	0.5
118.31409	0.4
121.36697	0.4
145.06497	0.5
145.93779	0.5
159.04483	0.8
167.04980	1.5
171.08150	0.5
183.04425	2.2
184.05275	32.8
185.05708	1.9
197.06061	0.9
198.06848	0.6
199.07668	1.0
211.03984	5.5
212.04765	52.3
213.05174	3.4
223.03830	0.5
224.04755	1.5
227.07111	31.0
228.07463	1.9
230.97227	0.4
239.03438	5.8
240.04259	19.1
241.04723	0.6
255.06599	100.0
255.23257	14.1
256.06918	7.0
256.23758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75982	0.4
62.54203	0.4
69.92813	1.3
88.61590	0.3
98.19918	0.5
106.55290	0.4
118.65457	0.4
171.37016	0.3
184.05238	0.6
197.06058	53.7
198.06429	2.8
211.03899	0.4
212.04742	1.0
213.05542	0.7
225.05550	83.6
226.05901	4.3
240.07895	100.0
241.05367	0.7
241.08209	5.2
243.32048	0.4
255.06606	1.6
255.10243	29.8
255.23257	9.9
256.07440	0.6
256.10599	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	255.1027
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
66.56548	0.5
69.76712	2.8
74.16433	0.5
100.31106	0.5
111.03852	0.5
120.77077	0.5
175.41487	0.5
197.06085	52.7
198.06390	2.7
211.19034	0.5
212.04807	0.6
225.05571	100.0
226.05937	6.0
240.07925	95.3
240.13016	0.7
241.08281	5.8
255.10275	68.6
255.23311	5.9
256.10629	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76861	1.2
57.03456	8.8
59.01373	11.1
66.65501	1.0
67.05522	2.8
87.76852	1.1
93.07098	11.5
96.43068	1.2
99.04514	2.0
111.08111	2.4
123.11800	9.2
149.09717	2.2
151.11304	2.9
160.08900	2.5
167.10760	68.3
167.14442	7.0
168.11128	3.3
175.11250	2.7
178.50858	1.1
187.98941	1.1
193.12318	19.5
205.36746	1.1
211.09804	5.9
211.13380	100.0
212.13634	5.6
212.89487	1.1
237.00429	1.8
237.11296	3.0
239.07133	1.2
255.06627	3.5
255.12364	73.7
255.23260	41.1
256.12735	3.2
256.23553	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	256.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23361	1.5
69.39532	0.1
74.24471	0.2
91.51424	0.2
91.71753	0.2
98.19842	0.4
110.00587	0.2
147.04500	0.3
157.06567	0.5
159.04549	0.2
167.05031	0.5
169.06616	0.4
171.04530	1.2
183.04572	0.2
184.05151	0.3
185.06044	2.8
195.04485	2.3
196.05215	0.8
198.03224	0.3
199.04044	0.3
211.03992	1.1
212.04768	1.7
213.05553	100.0
214.05890	5.2
240.04276	0.4
241.05040	60.9
242.05457	3.8
255.06613	0.2
255.23299	0.7
255.87137	0.3
256.07385	67.1
256.23590	2.1
257.07761	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	256.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22518	0.4
65.86576	0.4
68.81593	0.4
71.50580	0.5
80.69328	0.4
88.79823	0.4
93.03453	0.9
121.02941	0.4
133.06598	0.5
141.17401	0.4
143.05051	0.7
167.05037	0.5
169.06567	12.7
170.06966	0.5
171.04532	2.5
184.05229	2.5
185.05756	11.6
195.04521	0.6
197.06068	1.1
198.06403	1.9
199.03989	1.6
200.07959	2.0
211.03947	0.9
212.04469	2.7
213.05531	60.9
214.05891	2.8
219.84503	0.8
225.05373	0.5
226.05890	3.8
227.06992	0.8
228.07468	2.4
240.03894	6.4
241.05032	100.0
241.08044	4.8
242.05525	7.2
242.09274	0.7
244.06837	0.5
255.06639	0.8
255.23259	5.3
256.07245	48.2
256.10361	2.3
256.23605	13.7
257.07883	3.9
257.11780	2.8
273.03561	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	257.0816
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
59.01353	0.3
59.41381	0.2
70.33935	0.2
71.08948	0.3
71.09306	0.5
71.47540	0.2
84.82420	0.2
107.22329	0.3
109.55789	0.3
132.77396	0.2
151.05557	0.3
155.05054	0.3
169.06628	0.9
171.04474	0.8
172.05229	0.7
180.05817	1.5
183.04515	1.1
185.06099	0.7
196.05299	5.6
197.06090	3.2
198.06845	3.2
199.04010	1.5
201.01974	1.3
207.04478	2.1
208.05299	0.2
213.01991	0.5
213.05510	4.1
214.06349	13.5
215.06659	0.7
223.03954	1.9
224.04770	3.3
225.05547	12.6
225.07809	0.4
226.06015	1.0
227.03500	2.5
241.05081	0.8
242.05829	100.0
243.06137	5.1
257.08173	80.6
257.13776	0.7
258.08514	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	257.0818
Annotation	Xanthoxyletin
Peak:m/z	Relative Intensity
57.03431	1.0
59.01388	0.6
60.83929	0.4
61.44700	0.4
64.35981	0.3
65.00318	2.5
67.01880	0.4
77.67147	0.3
81.03452	12.5
83.01388	1.8
83.89983	0.4
91.05486	0.3
93.03445	0.7
107.01389	2.2
109.02933	0.6
121.02951	0.9
122.03732	6.4
123.90412	0.4
125.02439	6.1
131.05002	1.1
143.08633	0.4
145.06564	0.4
147.08147	0.9
151.00337	4.0
153.07085	0.6
155.05005	0.4
156.05820	2.3
166.02655	0.9
169.06555	2.7
171.08153	4.4
173.06076	6.8
185.06035	0.6
185.09628	0.7
195.08147	1.7
197.06067	0.8
198.06874	3.1
211.07669	0.5
213.09192	39.1
214.09517	1.9
224.04713	0.7
225.05540	1.6
239.07115	4.1
241.05042	1.1
242.05803	3.9
257.08170	100.0
258.08487	5.4
278.35175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.4
62.74389	0.5
70.98306	1.0
81.03465	2.2
93.03454	1.0
95.01395	0.6
108.02171	2.2
119.04993	0.8
121.02938	1.9
122.03738	23.7
123.00848	0.6
123.04156	0.5
125.02454	2.4
137.02411	1.9
143.05072	0.9
145.02905	1.6
146.03777	0.9
153.01868	0.6
154.02690	0.6
156.05803	6.2
158.03764	2.3
159.04523	0.9
169.06622	3.5
169.10208	1.9
171.04517	14.0
171.08125	7.9
172.05280	2.8
173.06062	4.1
178.02701	1.5
180.05809	2.7
181.06583	7.1
182.07300	1.0
183.04539	0.6
185.06052	5.6
186.06842	9.2
188.04666	0.6
195.04480	0.6
196.05202	0.7
197.06079	7.6
198.06834	8.8
200.04765	1.5
211.04155	0.5
213.05598	3.9
213.09196	57.4
214.06329	11.4
214.09473	2.7
215.06560	0.8
224.04831	1.1
225.05540	1.9
229.08710	2.9
234.32314	0.5
241.05084	1.8
242.05824	42.3
243.06107	2.6
257.08170	100.0
257.23691	0.7
258.08496	5.6
268.40176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
51.80593	0.4
56.79567	0.4
60.43021	0.3
60.95539	0.5
71.05145	0.7
71.42128	0.4
85.45436	0.4
87.19466	0.4
121.02934	0.4
185.06094	3.2
186.06818	0.5
197.06090	1.4
198.06853	16.5
199.07179	1.1
213.05586	3.6
214.06265	9.2
241.05000	1.7
242.05826	100.0
243.06154	5.2
256.23596	0.6
257.08167	87.9
257.23929	0.8
258.08505	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55454	0.2
57.03446	0.8
59.01372	0.4
63.02398	0.6
64.21346	0.3
65.00325	2.6
67.01874	0.2
71.50727	0.4
72.83615	0.4
81.03456	9.5
83.01398	3.3
93.03458	0.4
93.66739	0.3
107.01388	3.0
107.05040	0.3
109.02937	0.5
121.02957	1.1
122.03732	5.9
124.01625	0.4
125.02444	5.5
129.07053	0.3
131.05006	1.0
134.03864	0.3
135.33412	0.3
141.07111	0.4
143.08667	0.3
145.06564	0.4
147.08156	1.0
148.01688	0.6
149.06067	0.5
151.00356	4.6
153.07068	0.9
155.04999	1.0
156.05817	2.4
157.06580	0.3
166.02716	0.8
167.08615	0.5
169.06589	3.4
170.07164	0.5
171.08150	3.8
172.05254	0.4
172.21344	0.3
173.06068	8.6
174.06387	0.5
180.05806	1.3
181.06569	0.9
183.04491	0.8
183.08139	0.3
195.08142	4.3
197.06081	1.4
198.06914	0.7
211.07635	1.1
211.48120	0.3
213.05576	0.9
213.09206	21.6
214.06409	0.4
214.09552	1.1
224.04739	0.8
225.05566	4.7
239.07118	8.7
241.05034	4.4
242.05835	7.4
243.06163	0.7
257.08182	100.0
258.08499	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	257.0818
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
54.58149	0.2
69.17682	0.6
69.18102	1.3
91.42612	0.2
94.44950	0.2
98.20607	0.4
125.89159	0.2
152.52699	0.2
158.03671	0.2
169.06587	0.6
171.03226	0.2
171.04510	1.2
172.05289	0.5
173.06090	0.4
180.05792	0.9
181.06476	0.3
183.04478	0.7
184.05179	0.2
185.06047	0.7
195.04434	0.3
196.03633	0.3
196.05301	2.9
197.06055	2.9
198.06848	3.7
199.03932	0.9
200.04436	0.3
201.01912	0.7
204.26344	0.2
207.04507	1.1
213.02121	0.3
213.05540	4.4
214.06346	8.2
215.06801	0.4
223.04002	1.0
224.04755	1.9
225.05545	6.5
226.06009	0.4
227.03456	1.2
228.03760	0.2
241.05072	3.8
242.05824	100.0
243.06166	5.5
257.08170	65.7
258.03659	0.3
258.08496	3.2
258.11035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95419	0.2
57.03439	1.5
59.01374	0.5
63.02386	0.7
65.00315	3.4
81.03453	11.0
83.01377	3.2
91.05537	0.3
93.03440	0.3
107.01385	3.0
107.05005	0.4
109.02948	0.5
117.07077	0.2
120.25762	0.2
121.02930	0.8
122.03740	5.7
122.89243	0.3
124.01644	0.4
125.01532	0.5
125.02441	6.1
129.07089	0.4
130.04285	0.4
131.05028	1.1
141.07033	0.5
143.08621	0.8
145.06567	0.7
147.08156	1.1
149.06163	0.4
151.00368	5.3
153.07100	0.9
155.04997	0.9
156.05804	2.5
166.02698	1.1
167.08618	0.5
169.06596	3.4
170.07338	0.3
171.08138	4.5
173.06064	8.2
174.06444	0.4
180.05756	0.6
181.06552	0.5
183.08080	0.3
184.05405	0.3
185.09688	0.4
193.06509	0.4
195.08142	4.6
197.06046	0.9
198.06914	0.8
211.07617	1.0
213.09196	23.9
214.06224	0.4
214.09540	0.9
215.07266	0.3
225.05542	2.5
229.05960	0.3
239.07121	9.6
239.09567	0.5
240.07516	0.8
241.05034	2.5
241.33173	0.3
242.05823	5.8
257.08170	100.0
258.08484	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	257.1181
Annotation	Stilbostemin D
Peak:m/z	Relative Intensity
69.49040	0.4
69.49442	1.4
71.01394	0.3
78.59660	0.2
93.03452	22.3
94.03807	0.6
95.01390	1.5
98.20685	0.4
102.34283	0.2
106.04280	0.3
108.02167	9.0
109.03008	0.4
120.02177	0.5
121.02950	9.1
123.00864	0.4
123.04500	0.4
135.04474	2.7
136.05312	0.6
145.16794	0.2
149.02441	1.2
151.03989	4.8
153.01935	0.6
159.08112	0.3
171.08173	0.3
177.51241	0.2
177.68436	0.3
181.06601	0.5
182.07494	0.2
183.08154	0.9
185.06100	0.4
193.41708	0.2
197.09671	0.5
198.06897	0.7
199.07594	1.7
201.05557	0.3
208.05281	0.3
209.06050	0.8
211.07635	1.9
213.09213	0.8
225.05545	0.5
226.06342	5.1
227.07104	8.6
228.07460	0.4
241.08678	16.9
242.09456	32.2
243.09789	2.0
251.85617	0.2
253.19142	0.3
257.11801	100.0
258.12119	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	259.0223
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
53.13661	2.4
59.01374	4.5
69.53914	2.1
71.01373	10.0
71.30755	5.2
78.95899	73.7
80.40187	2.6
83.04990	2.5
85.02921	3.3
87.00851	2.5
96.96958	100.0
99.00874	17.4
110.78961	2.4
111.00867	7.1
112.98807	14.0
120.01433	2.4
128.03551	6.1
129.01881	3.6
130.08749	21.4
135.04514	2.5
138.97957	4.0
171.15056	6.5
198.75259	2.5
215.13931	4.1
227.81065	2.7
241.11835	7.0
258.14752	3.1
259.02377	13.4
259.12982	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	259.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47895	1.7
69.48310	6.1
72.00907	13.0
86.02481	57.1
92.05063	54.9
96.96985	0.9
97.84158	0.9
100.44807	0.9
116.05065	55.4
129.05870	1.8
130.06587	1.1
142.06627	25.5
143.06152	2.2
144.08200	7.5
153.91882	1.0
154.06619	3.7
156.06902	5.9
167.06268	1.2
169.07745	11.7
171.09280	56.2
172.09650	2.3
184.46271	1.2
215.08257	100.0
216.08524	3.5
223.47495	1.0
259.07291	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	259.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84324	0.5
59.01371	2.1
67.01855	1.0
68.99799	0.9
71.01379	0.7
71.78046	0.7
73.02941	1.5
76.11192	0.5
76.23872	0.5
79.05505	0.6
80.02668	0.6
81.03454	28.8
82.03816	0.7
84.02164	0.5
87.99614	0.6
91.20926	0.5
93.03456	6.1
95.01391	1.6
108.02167	12.4
109.02965	3.3
111.00845	1.0
121.02954	59.9
122.03751	35.5
122.04652	1.4
123.00918	2.9
123.04527	50.7
124.01637	2.0
124.04839	1.2
125.02439	10.8
136.01624	2.0
136.05345	0.8
137.02451	18.4
137.06078	32.6
138.06427	1.1
153.01924	4.1
154.02699	2.3
185.08206	1.7
187.09790	0.7
197.11781	0.8
209.11784	5.8
214.38078	0.6
215.07076	0.8
227.12874	0.7
229.05045	0.6
243.06601	6.5
244.07384	22.0
245.07744	1.2
259.09723	100.0
260.10120	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	261.0878
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
59.01382	4.6
64.09526	0.6
65.38295	0.6
70.02972	10.1
72.04535	4.5
74.02471	100.0
74.94962	0.6
75.02820	0.7
84.04547	0.7
90.88879	0.6
98.02473	24.3
98.20705	0.9
116.03536	56.0
117.03859	0.9
123.63612	0.6
128.03540	6.8
130.08769	0.7
132.04555	31.8
133.04884	1.2
144.04550	6.7
175.08762	1.2
201.06686	12.0
201.08417	1.0
217.09810	1.2
219.07753	3.0
222.61241	0.6
243.07666	1.1
244.19728	0.6
261.04361	1.3
261.08774	23.3
261.12872	1.0
262.09045	1.4
281.35184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01674	1.0
55.01876	11.3
57.03441	8.3
58.00572	3.3
59.01376	70.6
59.05272	1.2
69.03452	1.6
71.01378	100.0
71.50705	1.8
72.99293	4.0
73.02562	2.6
73.02944	40.4
83.01376	19.5
85.02945	56.6
87.00872	5.6
89.02448	7.8
90.99549	1.5
95.01385	6.3
97.02922	3.4
97.06593	1.4
99.00877	19.1
99.08141	3.1
101.02438	98.7
102.02728	1.5
111.00864	2.5
113.02449	43.7
119.03518	1.5
125.02429	2.9
129.01915	2.5
143.03532	3.0
154.56013	1.3
159.03017	6.0
159.04291	1.2
161.04541	45.9
162.04785	1.4
199.42073	1.5
201.11241	3.0
217.08842	2.1
241.23174	1.2
252.01903	1.4
261.07532	1.6
261.13385	47.5
262.13568	1.4
271.42343	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	263.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03440	2.4
59.01371	10.4
67.01872	1.3
68.99792	1.2
71.01371	5.9
71.49741	1.1
73.02940	1.4
78.49225	0.9
80.96513	0.8
83.01382	4.0
85.02943	4.6
89.02418	0.8
90.16206	0.8
93.03461	3.6
99.00874	31.5
101.02422	2.1
107.05016	1.6
111.00863	6.3
113.02472	1.2
117.03401	1.0
119.05020	100.0
120.05364	2.2
123.04536	1.0
127.00383	4.1
129.01944	7.3
131.05034	2.1
133.02960	1.8
135.04547	2.1
143.05029	1.7
145.06563	2.1
147.04565	1.0
148.18982	0.9
149.06073	1.4
151.03967	1.2
159.04489	1.2
161.04637	1.0
161.06090	2.7
163.03995	27.9
173.06062	0.8
177.05476	1.5
187.03990	1.9
189.05536	5.9
191.07106	1.6
193.05098	0.9
205.04994	1.6
215.03491	3.4
219.91232	1.6
221.10381	1.3
233.04532	16.2
262.91821	2.4
263.05566	4.4
263.08832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1135
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01882	7.7
57.03439	5.6
58.00590	3.5
59.01379	84.4
60.22651	1.2
69.61030	9.1
71.01383	100.0
72.99291	4.0
73.02945	30.2
75.00863	3.5
83.01385	15.1
85.02950	45.9
87.00849	3.9
89.02444	31.6
92.68004	1.6
95.01385	7.0
97.02953	2.8
99.00879	16.2
101.02444	78.7
101.06078	1.7
102.02791	1.5
113.02454	38.1
119.03541	10.4
119.05029	16.0
125.02433	3.1
129.01932	3.0
143.03453	4.4
159.02986	9.7
161.04565	41.3
163.04004	2.8
179.05641	1.5
219.91258	1.6
262.91586	1.7
263.11334	19.1
263.14066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.81895	0.3
59.01371	2.1
59.98428	0.3
71.01379	1.2
78.12907	0.3
83.05019	0.3
90.67076	0.3
98.20663	0.7
101.02422	0.3
127.07641	0.3
140.17513	0.3
167.76868	0.3
199.66956	0.3
219.21150	1.1
222.56737	0.3
245.19067	0.6
261.18549	0.6
263.20139	100.0
264.20490	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01372	1.9
69.35355	1.3
69.35764	4.0
70.87910	0.7
115.18730	0.7
172.58952	0.7
187.01257	0.7
263.20142	100.0
264.20486	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	265.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.2
57.03439	5.2
57.53233	1.2
58.00601	2.1
59.01378	88.1
59.51766	1.3
60.03135	1.4
63.39502	1.4
69.77499	7.7
71.01382	100.0
72.99306	4.7
73.02560	2.6
73.02943	33.9
75.00867	3.2
79.37613	1.3
81.53786	1.2
83.01389	18.0
84.02155	1.4
85.02948	44.4
87.00859	5.7
89.02444	27.1
95.01385	7.6
96.96009	1.6
97.02969	1.9
98.64587	1.2
99.00873	13.4
100.89296	1.2
101.02444	94.6
101.06087	2.3
111.00890	2.3
113.02451	43.4
114.02811	1.7
119.03513	7.1
119.04980	3.8
125.02462	3.1
129.01894	1.8
131.03561	2.0
134.04739	8.0
135.04552	1.5
143.03477	4.5
145.02916	2.0
159.01895	1.2
159.02995	10.7
161.03271	2.5
161.04565	45.4
161.05916	2.8
163.04001	2.6
205.05125	2.8
221.91029	2.4
264.91528	2.5
265.07159	2.0
265.12888	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.1
57.03448	5.0
58.00602	2.3
59.01383	81.1
69.03437	1.6
70.08772	4.3
71.01385	100.0
72.99313	4.8
73.02950	29.7
73.04083	2.5
75.00874	2.4
80.27853	1.0
83.01387	16.0
85.02956	49.3
87.00892	4.9
89.02453	25.2
95.01398	8.5
97.02980	1.9
99.00887	14.6
101.02448	93.7
101.06095	3.0
102.02788	1.6
111.00893	1.8
113.02460	41.0
119.03510	6.4
119.05032	2.8
125.02464	3.1
129.01941	2.3
131.03500	1.1
134.04715	3.1
143.03505	4.2
145.02966	2.4
158.82639	1.4
159.03021	8.8
161.04567	34.7
161.05853	1.4
164.07149	1.4
221.09377	3.7
264.91660	1.7
265.07156	1.9
265.12946	25.3
266.13214	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30760	0.3
70.85984	0.6
79.95715	2.5
95.95251	0.6
96.96012	100.0
97.95945	0.4
128.40678	0.2
265.14771	80.9
265.21582	6.5
266.15100	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	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
50.77581	0.2
50.92196	0.3
59.01376	0.8
69.56577	1.7
93.32011	0.3
94.76611	0.3
96.96008	7.5
97.37029	0.3
131.75531	0.4
142.11006	0.3
153.47237	0.4
172.39348	0.3
193.44266	0.4
222.10762	0.3
236.82021	0.3
247.20522	0.6
265.15115	4.0
265.21692	100.0
266.22009	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.6
63.96233	0.9
71.01382	2.9
71.19636	1.2
81.02197	1.8
85.02969	1.3
85.76606	0.5
89.02476	0.9
96.95995	0.8
101.02446	1.7
103.05537	0.9
107.03664	0.7
117.07111	3.8
119.04990	0.7
134.04720	7.6
135.02744	72.1
136.03056	2.2
145.06604	6.0
146.03246	0.5
146.06073	1.5
147.04462	0.8
157.05373	1.1
161.04510	1.3
170.06120	0.9
172.07671	100.0
173.07980	3.5
204.04826	1.3
223.02592	0.7
236.06418	0.7
266.04810	1.6
266.10754	0.7
267.11020	0.9
288.44852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01366	0.6
65.01439	0.2
67.11253	0.2
69.62731	0.4
69.63143	0.9
71.01378	0.5
71.43373	0.2
83.52053	0.2
85.02943	0.4
87.08089	0.2
88.82235	0.2
92.02539	1.6
100.31756	0.2
107.03632	5.5
108.03998	0.2
113.02466	0.3
134.04726	100.0
135.05177	1.5
221.17635	0.2
222.09540	0.3
266.08929	8.4
267.07193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0718
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01875	1.8
57.03445	4.2
58.00595	1.1
59.01376	33.7
59.38629	0.8
62.17189	0.8
68.06668	0.7
70.66129	1.7
71.01376	40.0
72.99304	5.8
73.02957	1.9
75.00871	14.2
83.01373	1.6
85.02945	34.9
87.00870	22.2
89.02441	15.1
91.03981	2.2
95.01364	7.1
97.38220	1.0
99.00880	9.0
101.02439	6.4
103.00372	3.2
105.01912	2.8
111.00900	1.0
112.01672	1.2
113.02441	42.6
113.49014	0.8
115.00343	1.9
117.01926	3.4
119.03503	2.1
129.01933	2.9
131.03514	1.5
161.04509	1.1
175.02400	1.9
205.07114	1.3
207.05089	2.4
249.06136	5.6
267.07184	100.0
268.07516	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	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01867	1.0
55.94585	0.6
57.03453	4.9
58.00574	1.3
59.01380	27.9
60.01724	0.5
67.01882	0.8
68.99811	0.6
69.03462	0.6
69.44274	0.6
69.82310	2.6
69.82708	1.0
71.01379	39.3
72.99285	3.7
73.02943	1.1
75.00870	16.4
83.01382	1.7
84.02137	0.9
85.02946	36.6
86.41433	0.6
87.00336	1.0
87.00876	16.6
88.29172	0.5
89.02438	11.6
91.04002	1.7
95.01377	6.4
99.00875	9.0
101.02455	1.3
103.00362	2.6
104.08814	0.6
112.01627	1.1
113.02450	46.3
115.00354	1.9
117.01933	2.9
128.08847	0.6
129.01923	1.8
131.03499	0.8
149.04549	0.8
157.01395	0.8
169.01784	2.1
175.02460	2.6
205.07147	0.9
206.26878	0.7
207.05081	2.4
222.99071	1.2
249.06105	4.4
267.07190	100.0
268.07574	3.3
286.97131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
57.03446	6.3
58.00584	2.8
59.01379	100.0
60.01727	1.1
61.98822	4.6
69.69530	3.3
69.69931	1.9
71.01382	86.4
72.99300	5.1
73.02942	22.9
73.04053	1.2
75.00872	4.0
80.03815	2.1
81.03452	1.0
81.04588	3.4
83.01379	12.4
85.02950	40.7
85.04056	1.2
87.00876	9.9
87.04527	1.2
89.02442	43.3
93.04591	2.5
94.58705	0.9
95.01386	6.9
99.00883	10.2
101.02441	73.6
103.03964	1.3
104.42962	0.8
105.01944	1.2
105.05573	11.4
107.05019	1.5
108.05670	3.4
110.07261	1.0
113.02448	42.7
119.03493	12.2
119.05029	1.0
125.02393	1.2
129.01917	2.4
130.08737	13.2
130.21851	0.9
131.03539	1.8
135.03130	1.1
140.15837	1.0
141.10345	1.6
143.03459	4.9
144.68420	1.0
149.04611	1.4
159.03009	5.5
161.04559	38.3
175.02541	1.1
179.05598	2.8
206.12978	2.8
223.15617	3.9
237.08839	3.9
237.99596	0.9
249.06114	1.2
267.07220	22.6
267.10785	39.5
267.14584	13.3
268.11111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2324
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
55.84667	0.3
59.01372	2.0
71.01387	2.3
71.50836	0.3
71.60042	0.3
71.68703	0.3
73.02960	0.7
79.93518	0.3
81.20153	0.3
85.02946	1.0
89.02458	0.7
98.95601	1.7
98.96384	0.3
101.02427	1.3
111.02160	0.3
113.02465	1.0
132.21115	0.3
153.92509	0.4
157.99327	0.3
161.04517	0.7
167.51613	0.3
193.79857	0.3
216.12581	0.3
267.23254	100.0
268.23587	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	267.2328
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
50.60537	0.5
60.61511	0.5
69.75901	2.4
87.83040	0.5
98.20772	0.5
99.38814	0.6
124.31709	0.5
132.17674	0.5
192.62199	0.5
267.23282	100.0
268.23657	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	269.0452
Annotation	Emodin
Peak:m/z	Relative Intensity
62.96407	1.7
63.02396	0.3
65.00320	0.5
67.01865	0.4
68.99802	0.3
71.50886	0.4
83.01386	1.0
85.02985	0.3
91.01876	0.3
95.01357	0.2
101.03977	0.5
107.01361	0.4
108.02190	0.5
115.05505	0.8
117.03439	0.5
121.02941	0.5
121.80578	0.2
123.00899	0.2
127.05526	0.3
135.00850	0.5
136.01703	0.3
139.05452	0.4
140.24576	0.3
141.03467	0.4
141.07085	1.2
143.05031	2.2
145.02933	0.9
151.05576	0.2
153.07094	0.7
155.05028	0.7
158.03679	0.4
164.01158	0.4
167.05013	0.4
169.06558	3.0
171.04532	2.2
173.06010	0.7
182.03708	0.7
183.04507	5.2
184.04808	0.3
185.06036	0.6
195.04446	1.4
195.08147	0.2
197.06041	2.2
198.03214	1.3
199.03899	1.1
201.05595	0.3
210.03221	1.1
211.03979	13.9
212.04384	0.7
213.05554	2.7
223.03999	2.0
224.04753	0.7
225.05588	1.5
226.02742	0.5
226.06219	0.4
227.03497	1.1
239.03473	9.8
240.03894	0.7
241.04980	0.4
252.04230	0.5
253.01349	0.3
253.05048	1.1
254.05821	17.0
255.06190	0.7
255.76132	0.3
269.04520	100.0
269.20929	1.2
269.24783	1.1
270.04861	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	6,7-Dihydroxy-2-methoxy-1,4-phenanthrenedione
Peak:m/z	Relative Intensity
59.01352	0.3
68.99803	0.2
71.50745	0.2
83.13125	0.2
111.00799	0.2
130.04228	0.4
133.02914	0.5
134.03778	1.1
137.02444	1.7
145.02968	0.5
154.04187	0.6
157.02881	0.3
158.03734	8.8
161.02443	11.0
169.02953	0.8
170.03735	5.0
171.04121	0.3
173.02422	0.2
174.03185	0.4
181.03001	0.2
182.03714	11.4
183.04082	0.5
185.02432	11.1
186.03181	1.8
189.01918	0.3
191.90599	0.2
197.02399	0.5
198.03201	3.7
202.02736	0.4
211.03944	0.4
213.01968	1.9
214.02728	0.6
225.01898	1.8
226.02724	19.5
227.03127	1.0
229.01411	3.1
230.02045	0.2
237.01927	14.2
238.02290	0.6
240.04218	0.3
241.05008	0.9
253.01424	57.0
254.02031	6.2
255.02771	0.5
256.85632	0.2
258.01648	1.3
262.19742	0.2
269.04550	100.0
269.24850	0.5
270.04895	5.7
277.08716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01321	0.4
67.22533	0.4
71.01344	1.4
76.62250	0.4
85.02891	0.4
93.03353	0.4
101.02439	0.7
109.02927	0.8
113.02481	0.4
130.04207	0.7
133.02934	0.7
134.03680	1.7
137.02464	2.2
145.02956	0.8
154.04289	0.6
157.02887	0.5
158.03717	9.5
161.01134	0.8
161.02431	11.5
162.02859	0.5
169.02873	0.6
170.03719	5.7
174.03174	1.0
182.03716	12.4
183.04175	0.5
185.02426	14.0
186.03157	2.1
197.02376	0.8
197.06047	0.5
198.03229	4.7
213.01869	1.7
225.01933	1.1
226.02699	21.4
227.03207	1.2
229.01350	3.1
237.01918	14.7
237.04395	0.6
238.02248	0.5
241.04982	0.7
253.01398	61.3
254.02036	8.2
258.01633	2.1
269.04529	100.0
269.21091	0.6
269.24750	0.8
270.04926	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	269.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96981	1.2
59.01375	1.4
69.62471	2.7
69.62890	5.0
81.75409	1.2
85.43639	1.2
91.60355	1.2
137.06920	1.1
167.05043	2.0
181.06654	2.9
183.04491	62.5
184.04852	2.3
207.04282	1.8
209.06061	3.3
211.03981	100.0
212.04326	4.4
225.05551	50.3
226.06133	6.8
237.05557	23.0
239.03468	95.4
240.03871	4.9
251.03500	4.0
253.05023	62.3
254.05795	85.8
255.06226	3.6
269.04691	3.8
269.08142	94.6
269.21118	3.7
269.24722	3.2
270.08459	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	269.0818
Annotation	4,7-Dihydroxy-2,3-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.57124	0.3
59.80958	0.3
70.51714	0.7
95.89609	0.3
211.03993	100.0
212.04300	4.3
239.03485	28.0
240.03810	1.4
246.69662	0.3
254.05832	93.1
255.06148	4.5
269.08176	53.9
270.08536	2.8
278.33911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09644	0.4
59.01374	0.8
64.24788	0.5
81.62549	0.5
83.26504	0.4
88.95768	0.5
155.05057	0.5
167.05016	0.5
172.98373	0.4
178.34288	0.4
182.03705	0.6
183.04503	13.1
184.04625	0.5
210.03180	1.1
211.03996	89.6
212.04315	4.0
225.05475	3.5
239.03487	100.0
240.03825	6.0
253.05042	3.8
254.05833	54.8
255.06111	2.4
257.78424	0.4
269.08176	41.9
270.08527	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65656	1.6
55.01873	12.8
56.17590	1.8
57.03432	5.9
58.00597	2.9
59.01380	57.0
66.18932	1.7
68.38216	1.7
71.01379	100.0
72.99297	2.9
73.02943	39.3
75.00877	2.4
83.01388	17.9
85.02943	48.7
87.00854	3.8
89.02425	6.1
95.01371	7.1
97.02912	2.8
99.00867	15.1
101.02437	76.9
109.79832	1.9
113.02435	40.5
129.01921	2.2
143.03467	3.1
159.02969	8.6
161.04541	24.9
161.52759	1.7
269.10211	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	269.2484
Annotation	Margaric acid
Peak:m/z	Relative Intensity
69.90899	1.6
98.19994	0.6
239.41969	0.4
254.96277	0.4
269.24835	100.0
270.25183	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	271.0825
Annotation	4-Hydroxyphenyl hexopyranoside
Peak:m/z	Relative Intensity
59.01384	0.3
65.65444	0.2
69.67981	0.8
69.68404	0.4
71.01390	0.3
76.89616	0.2
81.03493	0.3
82.69397	0.2
85.02982	0.2
91.01921	0.3
96.26052	0.2
98.19955	0.4
108.02179	1.6
109.02950	100.0
110.03275	2.3
110.03857	0.2
112.98837	0.3
121.06701	0.2
125.02439	0.3
128.07199	0.3
153.05612	0.5
174.01703	2.8
213.05620	0.6
227.05788	0.2
241.05135	1.1
256.07352	0.9
271.02484	0.4
271.08069	1.4
271.10837	0.3
271.22781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76148	0.3
68.86999	0.4
69.50822	1.7
69.51228	0.6
76.95662	0.3
108.02179	0.8
109.02953	0.6
125.02479	0.4
130.81166	0.3
153.05516	0.3
157.06595	0.5
169.06595	2.5
175.38364	0.3
185.06073	16.3
185.20453	0.3
186.06390	0.6
197.06079	1.4
205.71387	0.3
213.05565	39.5
214.05934	1.8
223.03973	0.3
225.05566	0.9
227.07065	1.0
239.07138	0.4
241.05046	100.0
242.05386	5.5
255.06522	1.3
256.07394	37.9
257.07718	2.8
271.09738	38.7
271.22812	0.9
272.10098	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72488	0.4
69.35626	2.4
76.00831	0.4
85.61485	0.3
108.02182	1.1
109.02951	0.4
125.02424	0.3
143.05016	0.4
169.06592	4.5
171.04555	2.2
185.06071	3.8
197.11766	0.9
199.04060	1.0
211.03870	0.4
212.18195	0.4
213.05562	32.7
214.05934	1.1
224.04807	0.4
225.05586	0.4
225.99780	0.4
228.04140	0.3
240.04314	1.1
241.05055	100.0
242.05341	4.9
255.06525	0.7
256.07413	25.3
257.07632	1.5
271.06476	1.1
271.09735	35.0
271.19241	0.7
271.22742	1.1
272.10056	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56250	0.4
69.44774	2.2
69.45182	0.7
75.24106	0.4
85.89448	0.4
98.19905	0.9
108.02176	0.9
109.02928	0.5
116.28548	0.4
121.37281	0.4
127.74329	0.4
145.41005	0.4
185.06099	0.8
197.06160	0.8
211.04076	0.5
212.04790	1.5
213.05556	54.9
214.05992	2.2
217.33716	0.4
219.44662	0.4
227.07095	0.6
228.04295	0.5
228.08011	0.5
240.04091	0.5
241.05043	55.0
242.05367	2.9
255.06593	0.9
256.07391	100.0
257.07712	5.6
271.09735	77.0
272.10095	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	271.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05209	0.9
71.05547	0.6
83.60532	0.4
195.04559	0.7
196.31541	0.6
213.05559	64.0
214.05850	2.7
241.05049	64.7
242.05428	2.5
256.07388	100.0
257.07703	5.9
271.09738	45.4
272.10059	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.6
65.00306	0.5
71.05472	0.8
71.05806	0.5
83.01408	0.8
86.52208	0.4
94.28867	0.4
94.29490	0.4
107.01421	0.4
125.02454	1.4
151.00368	0.9
157.06555	0.5
158.18492	0.4
161.06024	0.8
171.04503	0.5
183.04498	0.5
185.06010	4.1
185.33919	0.4
195.04509	1.5
197.06120	1.2
212.04791	1.3
213.05548	90.0
214.05872	4.3
214.46352	0.4
228.07829	1.4
241.05035	92.0
242.05382	3.9
250.63930	0.5
253.05118	1.5
256.07379	100.0
257.07718	6.3
271.06183	13.3
271.09702	88.6
272.06601	1.1
272.10046	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.96885	0.3
59.01374	1.0
59.59165	0.4
63.70762	0.4
71.42481	0.7
108.02146	0.8
109.02928	1.1
112.98637	0.4
126.01849	0.4
161.63301	0.4
176.08864	0.4
176.98807	1.0
213.05560	4.8
225.22192	4.0
226.22528	0.5
241.05032	5.8
242.05336	0.4
253.21706	1.5
255.06619	1.2
256.07385	8.3
257.07870	0.7
269.21121	0.7
271.06271	0.8
271.09714	4.6
271.22766	100.0
272.10266	0.7
272.23132	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	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03439	6.8
60.81696	0.8
71.05019	3.9
71.50729	1.5
73.02937	1.7
78.65485	0.8
80.02703	1.2
82.53768	0.8
83.05030	1.6
84.02163	3.6
102.64789	0.9
107.86036	0.8
108.02155	1.6
109.02962	1.6
125.02417	0.9
152.83994	0.8
168.16600	0.8
197.19083	3.0
213.05516	6.9
223.20560	1.3
225.22217	30.7
225.24495	1.5
235.20575	5.3
241.05109	7.9
253.21677	13.9
256.07339	9.7
269.21118	4.7
271.06165	1.5
271.09695	4.7
271.22754	100.0
272.23099	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	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01344	0.5
70.85472	1.4
108.02143	0.6
121.02894	0.4
130.56728	0.5
197.19159	1.1
213.05542	2.9
221.19023	1.3
223.20644	5.7
225.22221	68.7
226.22559	3.9
230.10298	0.5
241.05066	3.6
253.21606	1.4
256.07437	3.4
269.21237	0.9
271.09744	2.0
271.22763	100.0
272.23148	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	271.2278
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
52.17412	0.6
59.01379	100.0
59.09489	0.5
60.01717	1.1
60.99300	0.7
72.57005	0.6
108.02162	1.3
109.02988	1.2
111.34055	0.6
157.77336	0.5
213.05577	4.9
225.22261	1.0
238.48764	0.6
241.05054	4.8
242.05669	1.0
256.07358	7.0
271.06638	0.7
271.09732	4.2
271.22766	52.4
272.23160	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	273.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55415	0.3
69.27574	3.2
71.48105	0.3
79.61097	0.4
79.72955	0.3
81.03475	0.6
93.03461	8.9
95.01385	3.5
108.02175	2.6
109.02995	0.7
111.00890	0.6
112.77394	0.3
120.02143	1.1
121.02957	100.0
122.03769	18.1
123.00880	2.6
124.01672	2.4
125.02426	2.6
126.03255	0.9
136.01656	1.9
136.05304	3.1
137.02461	6.2
137.06093	7.0
139.03999	0.4
149.02438	5.7
151.04010	25.8
151.07584	2.2
152.04388	0.8
153.01933	4.1
154.02698	3.4
167.03407	0.4
195.06683	0.4
197.05930	0.4
224.04779	0.4
225.05548	0.7
240.18217	0.3
258.03531	3.1
258.08966	35.0
259.09348	1.8
273.05984	3.2
273.11322	98.7
274.11630	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	273.1132
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
56.83032	0.2
68.99818	0.3
71.05418	0.3
71.05746	0.4
73.83693	0.2
77.16219	0.2
90.76897	0.2
93.03459	9.6
95.01383	3.0
96.01541	0.2
107.62263	0.2
108.02173	3.1
109.02957	0.9
110.00090	0.7
111.00913	0.6
120.02177	1.6
121.02956	100.0
122.03773	17.2
122.04523	0.2
122.31754	0.3
123.00903	1.8
123.04002	0.2
124.01661	1.0
125.02454	2.4
126.03186	0.3
136.01656	1.6
136.04523	0.2
136.05296	5.8
137.02448	4.9
137.06091	6.9
138.03264	0.4
149.02435	5.7
151.04007	23.3
151.07585	1.3
152.04347	0.5
152.65712	0.2
153.01952	3.9
154.02736	1.7
167.03531	0.5
168.04237	0.5
203.51604	0.3
243.06384	0.2
257.08197	0.4
258.08948	32.2
259.09314	1.9
273.11313	78.6
274.11615	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	273.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76320	0.7
53.93492	0.6
57.03450	10.5
59.01384	3.9
69.17964	7.1
80.86134	0.7
81.07102	1.6
81.53309	0.6
85.02961	0.6
94.29622	0.6
99.08159	100.0
100.08512	2.0
109.06622	1.1
119.33372	0.6
127.07652	33.6
129.05579	78.7
130.05916	1.8
138.03241	0.9
143.07196	1.0
153.05586	10.1
171.06636	7.4
205.05191	0.6
213.05638	0.7
255.12392	2.1
273.07718	1.5
273.13565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.048
Annotation	3-Chloro-2-oxo-1(10),3,7(11),8-guiatetraen-12,6-olide
Peak:m/z	Relative Intensity
57.28767	0.4
59.01357	0.8
69.24044	3.7
76.65652	0.3
77.92255	0.4
94.54346	0.4
99.92609	0.5
115.51867	0.4
133.02950	0.5
134.03773	0.7
138.22000	0.4
150.73303	0.4
167.04994	1.8
171.04474	0.8
178.02611	0.8
195.04460	4.0
196.05281	10.9
197.05545	0.4
199.03973	0.6
209.02509	0.5
211.03958	2.1
213.05609	0.9
214.06306	1.5
223.04019	3.4
224.04643	0.9
224.33133	0.4
227.03482	1.2
231.21132	0.6
232.02963	4.8
260.02417	99.0
261.02762	5.5
275.04788	100.0
275.20111	9.5
276.05066	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	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01355	0.5
71.01358	1.1
71.50594	0.5
71.50968	0.5
75.14079	0.4
79.27316	0.4
102.37780	0.4
130.04210	1.3
133.02945	1.2
134.03735	1.5
146.03705	1.2
151.07666	1.4
158.03719	3.2
159.04510	4.9
159.08127	0.8
166.71223	0.4
168.63544	0.4
172.05290	11.9
173.06058	9.8
173.58118	0.5
174.06821	2.2
175.07613	0.7
177.17703	0.4
180.72038	0.4
185.09665	0.5
187.04131	5.3
187.07631	100.0
188.04594	0.5
188.07985	4.3
194.37483	0.4
197.06075	0.5
201.03705	0.6
201.05559	11.6
202.06328	19.4
203.06912	0.8
203.10828	1.0
204.04272	1.9
213.09157	3.5
215.07161	0.5
216.07829	1.1
231.10240	21.3
232.10545	1.3
246.05499	0.5
275.06088	1.0
275.09277	4.1
282.03104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2014
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.04193	0.6
54.69967	0.6
57.45627	0.6
59.01377	4.3
71.01385	1.1
78.82320	0.5
98.19882	1.8
107.94536	0.5
136.35852	0.6
141.54761	0.7
162.17424	0.6
177.16460	1.6
231.21124	8.6
275.20123	100.0
276.20468	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	277.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83233	0.4
55.01875	0.5
57.03437	0.7
59.01373	2.3
68.67019	0.4
68.99807	5.2
69.03451	1.1
69.38969	2.1
69.39377	0.6
71.01366	3.0
73.02939	1.6
75.00860	1.0
78.78072	0.4
83.01382	0.9
85.02943	7.5
87.00876	1.5
89.02437	0.7
94.59421	0.4
95.01389	1.9
97.02933	0.8
98.20634	0.6
99.00877	7.0
99.01528	0.5
101.02444	1.7
105.01927	2.0
111.00891	2.2
112.98827	0.8
113.02442	9.2
113.99581	73.1
115.00388	14.4
127.00385	3.4
129.01917	2.4
139.00375	0.8
141.01956	0.8
146.08229	0.8
157.01413	7.9
169.01402	1.9
176.89983	0.4
200.51956	0.4
254.56342	0.4
277.05615	100.0
277.21585	4.2
278.05963	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	277.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03448	0.6
57.86721	0.3
59.01374	3.6
68.99818	5.0
69.03445	0.9
70.82903	1.0
71.01379	4.6
72.99315	1.0
73.02959	1.7
75.00861	1.1
76.84781	0.4
80.55213	0.4
83.01367	1.0
85.02941	7.8
87.00884	2.0
89.02446	0.9
95.01393	1.2
97.02945	0.9
99.00875	6.9
101.02436	2.0
105.01920	3.6
109.02967	1.8
111.00858	1.9
112.30865	0.4
112.98790	0.8
113.02441	7.7
113.99579	71.1
115.00388	13.8
118.81497	0.4
127.00360	3.5
129.01955	2.2
129.02742	0.3
133.05060	0.4
135.04504	1.8
139.00360	0.9
141.01924	0.4
146.08209	1.2
157.01402	6.8
158.47423	0.3
161.04498	0.5
169.01401	1.3
179.03436	0.4
189.05562	0.9
189.07689	0.3
199.73401	0.5
217.12146	0.4
236.57138	0.3
277.05615	100.0
277.21634	7.3
278.05963	3.6
282.62823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.02967	0.6
59.01375	21.2
69.11539	0.5
71.01366	1.7
71.09016	1.1
72.99300	5.8
73.02941	0.9
75.00866	1.7
85.02924	1.5
89.02432	0.5
99.08175	4.1
101.02439	1.6
105.01929	100.0
106.02257	0.9
109.02923	0.7
113.02414	0.7
117.03474	0.5
127.07656	4.4
129.05579	17.9
130.06622	1.6
145.02992	0.6
145.08722	1.3
146.08217	1.1
159.67905	0.5
161.02414	1.0
174.05559	1.2
189.01900	0.7
189.07684	18.5
190.04881	0.5
190.07970	0.5
192.86736	0.6
217.01411	1.6
235.11777	2.1
243.13676	0.5
267.92700	0.5
277.21689	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	277.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.9
59.01374	39.3
62.38803	0.5
63.18005	0.5
68.59956	0.6
70.50334	0.6
70.83211	1.5
71.01367	2.8
72.99306	4.4
73.02937	1.6
75.00856	2.0
80.32214	0.6
82.99782	0.5
85.02944	1.8
96.14402	0.5
99.08145	3.5
101.02441	2.2
105.01928	100.0
113.02478	1.2
127.07662	5.0
129.05568	16.3
134.38863	0.6
138.02975	0.6
149.35461	0.6
171.06593	1.2
189.07681	16.4
223.95337	0.5
235.11792	4.1
277.21707	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	277.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.55154	6.5
71.01385	7.5
72.99319	3.8
73.02946	3.1
75.00864	1.2
83.01396	1.6
85.02940	4.9
87.70094	0.9
89.02491	1.1
98.19986	1.3
99.00855	1.5
99.08160	2.8
101.02438	8.8
105.01930	73.9
113.02452	3.3
121.36926	1.0
127.07673	4.5
129.05577	13.3
146.08212	1.2
161.04576	3.9
189.07658	13.6
235.11877	11.3
277.21732	4.4
294.45456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03437	1.2
59.01377	77.9
59.88462	0.6
60.16782	0.6
66.64021	0.8
66.71091	0.8
69.16661	4.6
69.17081	2.7
71.01388	5.7
72.99303	4.2
73.02945	2.6
75.00871	1.4
83.01368	1.1
85.02943	3.2
87.00867	0.8
99.00877	1.2
99.08160	4.5
101.02447	5.7
103.54741	0.7
105.01927	100.0
106.02233	1.4
113.02456	2.1
120.48262	0.8
127.07629	3.6
127.42117	0.8
129.05580	17.1
146.08215	1.2
147.03128	0.7
161.04550	3.1
171.06654	0.8
189.07678	17.0
201.63654	0.7
204.15291	0.7
206.94746	0.8
235.11830	9.2
254.65413	0.7
277.12268	1.1
277.21671	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	277.1658
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01376	4.0
60.97517	0.6
70.16518	1.3
71.01407	0.6
75.31229	0.3
95.01422	0.3
98.20747	0.4
103.02232	1.4
121.03268	3.9
131.24426	0.4
143.82091	0.4
146.99461	1.2
147.08459	5.0
149.00970	0.7
165.00420	13.2
180.99973	0.7
189.04134	1.3
191.05630	11.9
192.05574	0.8
205.07188	1.2
205.15875	0.5
207.05116	0.6
216.42992	0.4
217.07161	0.9
231.08659	1.8
233.10312	100.0
234.10516	6.1
259.15469	1.0
259.20511	0.5
277.16556	86.9
277.21570	62.4
278.16779	9.1
278.21896	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	277.1807
Annotation	Fenoksan
Peak:m/z	Relative Intensity
55.62970	0.7
59.01371	2.8
66.30170	0.8
71.01365	2.4
71.50696	0.6
88.44513	0.8
93.03462	1.3
131.71326	0.7
149.09726	1.0
151.11273	20.1
152.11523	0.7
168.44513	0.7
168.55490	0.7
177.12834	0.8
205.15985	6.0
206.16191	1.5
207.13901	2.7
233.15509	5.2
233.19081	12.4
259.16949	6.7
277.18036	100.0
277.21646	70.9
278.18372	7.2
278.22015	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01366	1.6
69.35578	2.3
70.17445	0.3
71.01373	0.9
83.05029	0.5
117.81916	0.3
233.22639	0.6
259.20624	0.6
262.02274	0.5
275.20230	0.5
277.04553	0.6
277.21701	100.0
278.22043	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35356	0.4
59.01374	2.0
71.01414	0.5
71.27447	0.6
87.76708	0.4
142.17004	0.4
259.20569	0.6
277.21701	100.0
278.22058	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01373	2.5
62.36496	0.4
63.93301	0.4
71.01381	0.6
82.31116	0.4
90.72556	0.4
98.19859	1.0
119.46034	0.5
127.13223	0.4
187.42787	0.4
195.23624	0.4
232.73349	0.4
236.88840	0.4
259.20535	0.7
275.20047	0.5
277.21683	100.0
278.22012	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01380	1.7
59.32162	0.3
71.01361	0.4
79.61967	0.3
98.20667	0.8
103.12096	0.3
146.48772	0.3
233.22629	0.6
259.20523	0.5
275.20178	0.4
277.21698	100.0
278.22025	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.18026	0.3
58.35892	0.3
59.01375	1.3
62.17694	0.3
68.97208	0.3
69.84755	1.3
71.01376	0.4
79.25314	0.3
83.05032	0.3
95.87650	0.2
98.19927	0.3
214.48982	0.3
223.91151	0.3
233.22746	0.7
247.84048	0.3
259.20557	0.4
277.21698	100.0
278.22064	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01375	1.1
60.12711	0.1
70.09402	0.4
71.01363	0.4
71.08257	0.1
83.04994	0.2
83.83988	0.1
94.35115	0.1
127.07610	0.3
153.47615	0.1
172.54471	0.1
192.46745	0.1
197.45410	0.1
205.19560	0.2
233.22707	0.8
259.20703	0.5
275.20279	0.3
277.21689	100.0
278.22034	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.26401	0.4
59.01364	1.6
61.97563	0.4
87.31892	0.4
98.20743	1.0
109.09983	0.4
127.07719	0.5
127.16184	0.4
128.15878	0.4
141.18117	0.4
144.77898	0.4
229.23505	0.5
233.22629	0.6
277.21719	100.0
278.22058	6.7
290.56805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.76563	0.7
57.89257	0.7
59.01392	1.1
70.80257	1.5
70.80613	0.8
95.34721	0.8
114.05422	0.6
140.90573	0.7
233.22661	0.7
277.21713	100.0
278.22009	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	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68439	0.4
59.01366	1.5
71.27612	0.8
84.95107	0.4
104.88852	0.4
115.63904	0.4
127.07590	0.4
209.73093	0.4
233.22473	0.4
259.20804	0.7
277.21695	100.0
278.22070	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	278.1762
Annotation	Alopecuridine
Peak:m/z	Relative Intensity
59.01377	3.5
71.01369	0.8
71.31799	0.5
71.50706	0.7
84.04549	76.6
85.02946	0.7
85.04906	0.9
101.02446	0.8
104.01173	0.5
106.63792	0.5
111.04353	0.5
121.10204	0.8
130.51335	0.5
149.13376	1.4
153.32149	0.5
175.11331	1.0
193.12337	19.6
194.12801	0.6
278.17618	100.0
278.21927	7.4
279.17624	5.0
279.23203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15225	1.5
51.72659	1.2
55.05478	1.4
59.87010	1.2
71.01379	25.5
72.99301	5.0
85.02938	5.0
89.02415	2.1
98.19869	3.0
115.00365	41.3
119.05022	41.1
129.01947	1.9
133.01421	100.0
134.01714	2.8
163.03993	34.0
170.32457	1.3
180.84921	1.3
293.30615	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17237	0.5
59.01381	0.9
70.25452	1.0
70.25854	1.2
71.01379	19.2
88.02098	0.5
93.03468	0.7
96.44948	0.5
98.19927	0.5
99.04432	0.6
115.00376	7.3
119.05023	67.5
120.05362	1.2
135.04491	0.7
149.31853	0.5
163.04002	100.0
164.04315	3.3
227.16927	0.6
241.55656	0.5
249.36647	0.6
279.23190	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23311	0.8
70.51662	2.9
71.01385	19.4
72.99303	2.5
87.00870	1.1
89.02444	2.5
115.00373	39.7
119.05029	37.8
119.05679	0.8
133.01433	100.0
134.01796	1.3
139.57121	0.8
142.12209	1.0
163.04016	29.1
164.04356	1.5
171.04779	0.9
187.07486	1.4
207.06628	0.9
215.07094	1.4
242.20676	1.0
251.12793	1.3
279.12344	3.7
279.23251	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03447	0.8
59.01357	1.8
59.29068	0.7
71.01377	0.9
71.05293	1.0
71.05625	1.6
79.63564	0.8
97.06576	1.7
99.08180	0.8
101.02430	0.8
115.91985	0.8
177.12926	0.9
179.14406	1.6
195.13885	15.1
196.14656	1.0
205.12428	1.2
211.13333	1.1
223.13400	10.0
228.13647	1.6
241.36360	0.7
251.20177	0.9
256.13205	3.2
261.18585	8.6
262.19083	1.1
279.19659	100.0
279.22919	4.9
280.20007	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	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.05278	0.2
59.01392	0.4
64.79876	0.2
169.57408	0.2
177.09668	0.3
261.22256	0.5
279.23264	100.0
280.23630	6.6
295.85574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.77260	0.5
55.43123	0.5
59.01357	1.4
60.21687	0.5
71.01389	1.1
81.63517	0.4
93.48196	0.4
94.73928	0.5
95.20029	0.5
96.96006	1.0
98.20766	0.8
109.02992	0.5
111.62060	0.4
115.92061	1.5
135.22450	0.5
159.46837	0.4
176.77057	0.5
180.62007	0.6
208.42940	0.4
279.23257	100.0
280.23630	8.0
287.40439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82766	0.2
59.01363	1.1
71.01363	0.6
71.50822	0.3
82.18320	0.2
96.96017	2.4
108.20094	0.2
116.06485	0.3
125.90243	0.3
145.86539	0.2
167.00127	0.7
191.00026	0.3
193.05275	0.6
234.10416	0.3
235.09998	5.1
236.10161	0.3
258.11987	0.3
261.22220	0.4
279.16675	7.6
279.23260	100.0
280.16724	0.7
280.23608	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.30219	0.4
56.64594	0.3
70.85399	0.9
146.36450	0.4
183.98248	0.4
199.97687	0.4
209.42647	0.4
251.92024	0.5
279.23264	100.0
280.23642	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	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06303	0.4
86.06088	0.5
194.80754	0.4
216.49464	0.4
279.23285	100.0
280.23605	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	279.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50585	0.2
59.01371	1.1
70.85711	0.2
70.86053	0.4
71.01369	0.6
71.78770	0.2
81.03480	0.2
85.02946	0.3
89.02451	0.2
96.96011	0.4
97.16933	0.2
99.08175	0.3
99.92450	0.2
101.02437	0.3
103.77063	0.2
106.01247	0.2
113.02406	0.4
120.40359	0.2
123.08186	0.2
171.10202	0.2
173.43182	0.2
235.16985	0.8
261.18530	0.3
261.22275	0.4
279.23251	100.0
280.23605	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.88564	0.4
59.01355	0.6
65.00307	0.4
69.88255	0.4
69.99891	1.3
81.09812	0.5
96.95984	1.0
115.92064	0.7
118.10574	0.4
163.00299	0.6
261.22153	0.6
279.23254	100.0
280.23590	7.0
283.63669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01359	1.2
60.00357	0.3
71.01373	1.1
72.63325	0.3
74.46240	0.3
95.01389	0.4
96.96017	0.8
101.02417	0.8
116.95664	0.3
261.22192	0.4
279.23257	100.0
280.23605	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	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28022	2.2
55.01857	3.0
58.00579	6.7
59.01372	13.2
70.98050	5.9
71.01383	6.1
72.07394	1.9
73.02964	1.7
75.00870	8.6
83.01387	14.9
85.02943	6.7
87.00864	6.2
89.02425	2.1
92.21882	1.9
93.03455	100.0
95.03017	1.9
99.00863	12.0
101.02477	1.9
106.04211	2.3
107.05014	7.1
111.00868	11.0
113.99580	41.2
114.99680	3.0
115.00381	37.4
119.05020	34.6
121.02920	2.1
123.04506	6.3
131.05037	3.7
133.02940	30.0
134.03745	3.4
135.04480	9.4
139.00381	17.3
147.03047	2.0
147.04538	10.1
149.06067	13.0
151.03966	3.1
156.00620	6.0
157.01413	34.3
161.06036	3.6
163.03972	21.3
165.05542	35.1
175.02496	2.6
175.03970	2.7
177.05472	11.0
181.05064	13.5
183.58827	2.0
193.05028	17.4
193.08855	2.0
201.05507	2.3
205.04907	3.4
217.05032	4.5
221.04523	39.1
222.84544	2.1
235.06062	3.5
235.39952	2.0
287.91312	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	281.0818
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
52.93563	0.2
57.03436	0.3
59.01381	1.8
65.00329	0.3
70.88403	0.4
71.01382	0.8
83.01337	0.2
85.02954	0.4
89.02462	0.4
96.95986	0.2
101.02469	0.8
102.55847	0.2
106.04252	0.7
112.56843	0.2
113.02410	0.2
118.04273	0.8
126.78851	0.2
134.03751	0.7
137.02512	0.3
161.02441	9.5
161.04523	0.4
162.03087	0.5
166.43768	0.2
178.15887	0.2
189.01958	1.2
190.02718	100.0
191.03058	4.0
195.91145	0.2
222.01714	0.3
238.02399	0.2
266.02277	0.3
281.08185	81.1
281.24637	1.1
282.08542	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	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99326	0.9
59.01376	100.0
60.01717	1.0
69.90372	2.6
69.90788	2.7
71.01380	6.0
73.02967	1.6
81.11560	1.2
85.02933	2.8
89.02439	2.1
93.03437	4.5
93.64781	1.0
98.20043	1.4
101.02435	6.6
108.02049	1.3
113.02386	2.6
113.99561	1.2
115.00384	1.5
119.04938	1.5
119.07188	0.9
133.01559	3.2
150.04169	7.1
151.02147	1.0
157.01379	1.7
161.04446	2.3
165.05579	1.1
176.32872	1.1
188.07181	1.6
200.78896	1.1
211.06836	1.0
221.04413	1.1
221.10223	2.5
276.99554	0.9
281.12122	2.4
281.25067	1.1
282.08435	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.8
56.46275	1.2
57.03446	5.3
58.00603	3.3
59.01381	100.0
59.06953	1.2
69.47095	6.8
69.47517	4.0
71.01383	94.7
72.99319	3.2
73.02954	27.3
78.22347	1.2
81.03486	1.3
83.01398	11.1
85.02952	38.2
87.00887	4.5
87.04516	2.2
89.02447	53.9
89.05201	1.4
90.22392	1.4
95.01389	8.9
95.57469	1.4
98.20639	2.0
99.00867	8.8
101.02450	76.8
102.02803	2.8
107.03657	2.5
107.26492	1.4
108.02053	5.8
110.02496	3.0
111.02035	2.3
111.81773	1.6
112.98717	1.5
113.02454	38.0
119.03506	18.7
119.07153	12.6
126.11438	1.3
129.01939	1.9
131.03490	2.0
133.01569	17.4
143.03522	6.5
150.04216	55.3
159.02994	8.4
161.04561	44.7
179.05568	4.5
206.47916	1.4
237.08704	1.6
243.06198	5.9
253.71948	1.7
257.13474	1.4
281.12411	47.5
282.08463	12.5
282.12726	2.2
292.04721	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03431	1.2
59.01376	6.5
61.98351	0.5
61.98835	1.1
64.83259	0.6
71.01383	2.1
71.50603	0.8
83.05013	0.9
85.02944	1.2
89.02435	1.4
92.50841	0.6
96.95988	0.6
99.08150	2.2
101.02442	1.8
113.02510	1.0
116.92857	1.5
137.02422	0.8
161.04561	1.0
179.14423	0.9
195.12111	1.0
195.13910	19.8
196.14299	0.9
263.20132	21.2
264.20544	1.4
281.21222	100.0
282.21542	7.5
282.24530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2481
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
51.32601	0.2
53.67866	0.2
59.01372	1.5
59.70995	0.3
70.15192	0.2
70.65421	0.7
71.01382	0.5
71.51890	0.2
85.02901	0.2
89.02440	0.3
101.02421	0.4
106.14326	0.2
161.04546	0.3
208.47839	0.2
281.24826	100.0
282.25189	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2483
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
70.23075	1.0
89.84533	0.4
96.74744	0.3
98.20586	0.5
115.16173	0.3
126.19115	0.3
169.35722	0.4
223.79440	0.3
225.90057	0.4
281.24820	100.0
282.25192	5.6
291.24460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68987	0.2
59.01390	1.0
66.00967	0.8
70.55840	0.7
71.01375	1.0
73.02944	0.3
79.90340	0.2
82.04070	1.1
85.02961	0.3
89.02433	0.8
101.02428	0.8
102.02802	0.3
107.03635	3.5
108.02029	10.5
112.63181	0.2
113.02419	0.3
113.64554	0.2
119.03497	0.4
121.01566	0.2
126.03091	2.6
133.01556	29.0
134.01898	0.7
142.78433	0.2
150.04199	100.0
151.02672	0.2
151.04634	1.7
161.04517	0.4
162.04868	0.5
164.05835	0.2
165.05548	0.4
173.56880	0.2
282.08408	26.8
283.08652	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	283.0248
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
59.01379	4.1
63.02399	3.8
65.00322	4.0
71.01363	1.8
71.50682	0.6
83.01382	1.5
85.02953	0.9
87.00842	0.8
89.00340	0.7
89.02441	1.5
91.01891	0.6
92.99806	0.6
93.03464	3.2
93.52493	0.4
101.02435	1.8
103.66135	0.5
107.01405	3.6
113.02427	0.9
117.02649	1.0
117.03461	13.6
119.03526	0.5
119.05038	0.5
121.02966	2.1
121.05080	0.6
133.02965	0.9
134.00070	0.5
135.00873	1.9
141.03482	2.9
143.04811	1.0
145.02878	0.6
151.00375	1.6
154.04231	1.2
155.05040	4.9
159.04536	4.0
161.04530	0.8
164.25362	0.5
167.04979	0.6
171.04514	2.4
173.06009	0.8
177.03404	1.1
182.03754	4.2
183.04510	19.3
184.04863	1.0
185.02472	2.7
187.03917	0.6
197.02409	0.9
199.04002	1.3
209.02371	1.1
210.03168	1.0
211.04010	7.9
225.01912	1.4
225.05386	0.5
226.02710	2.1
227.03494	5.7
239.03481	0.8
240.04221	1.3
253.01439	3.0
255.02980	72.7
256.03384	3.9
268.03745	2.4
282.01688	1.0
283.02472	100.0
283.26410	29.8
284.02829	5.6
284.05771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0247
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
59.01375	4.8
59.44281	0.5
63.02398	4.4
65.00323	4.4
67.12243	0.6
68.99845	0.7
69.18977	4.2
71.01378	2.6
79.01894	0.6
83.01362	1.3
83.52734	0.4
85.02932	0.9
88.41083	0.4
89.00311	1.0
89.02437	2.4
91.01884	1.0
93.03449	2.2
101.02457	2.4
103.52988	0.5
107.01392	4.7
113.02445	1.1
117.03462	15.5
119.03480	0.9
121.02978	5.3
121.05054	1.2
123.04503	1.0
129.03465	0.5
133.02937	0.7
135.00879	2.0
141.03450	3.2
141.05405	0.5
143.04997	0.6
145.06477	0.7
151.00333	2.3
154.04239	1.0
155.05037	4.3
159.04529	5.2
161.04524	0.8
167.05061	0.8
169.02940	0.7
171.04501	2.2
173.02403	0.9
173.06020	0.9
181.02957	0.5
182.03731	7.1
183.04518	19.7
184.04817	1.0
185.02448	3.4
187.04041	1.1
195.04449	1.2
196.05260	1.3
197.02466	1.5
197.06036	1.5
199.04007	2.0
210.03207	8.7
211.04005	9.2
212.04424	0.6
218.26660	0.5
225.02231	3.5
225.05548	27.4
226.02710	2.2
226.05914	1.1
227.03481	6.3
239.03473	1.0
239.07251	2.8
240.04228	1.4
240.07893	7.4
253.01457	1.5
253.05042	27.4
254.02254	0.8
254.05345	0.7
255.02982	77.8
256.03357	4.4
268.03903	2.3
268.07370	33.3
269.04599	0.7
269.07764	1.3
282.02045	0.7
283.02484	100.0
283.05978	4.8
283.09576	23.1
283.19415	1.4
283.26407	51.6
284.02850	6.9
284.06265	1.0
284.09903	1.0
284.26862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Stevenin
Peak:m/z	Relative Intensity
52.39626	0.6
54.68035	0.5
59.01381	4.2
63.02393	0.9
65.00332	1.0
67.68958	0.6
69.22386	6.5
71.01387	1.8
89.02447	2.5
93.03436	1.2
101.02486	1.2
117.03438	3.2
119.05023	0.9
121.02963	2.6
129.03467	1.2
133.02977	0.9
141.03477	0.9
145.02962	1.5
151.00407	0.6
153.03436	1.9
154.04196	0.9
155.05037	1.9
156.05801	0.8
157.02925	2.7
159.04532	0.7
161.04608	0.9
167.04939	1.2
169.02888	1.8
170.03638	0.7
171.04410	0.8
175.04048	0.8
181.02948	2.6
182.03732	2.3
183.04507	55.1
184.04884	2.4
185.02444	9.8
186.02678	0.8
196.05298	3.2
197.02417	9.1
198.03143	1.6
199.04001	2.4
207.79404	0.7
210.03209	1.0
211.03999	34.6
212.04750	10.8
213.01871	3.2
224.01068	0.7
225.01938	13.1
226.02469	1.2
227.03494	1.4
237.01924	20.9
238.02521	3.5
239.03497	12.0
240.04272	27.7
241.04520	1.5
253.01448	3.9
255.03018	13.0
256.03491	0.9
267.02902	2.5
268.03763	44.2
269.04132	3.2
283.02560	18.8
283.06128	100.0
283.26437	26.6
283.29001	0.4
284.03354	1.3
284.06442	7.4
284.26794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
62.52758	0.5
62.54120	0.5
63.02386	0.6
65.00305	0.7
69.15002	4.4
71.01373	0.9
75.12128	0.4
89.02404	1.1
93.03477	0.5
99.00922	0.5
100.42558	0.5
101.02453	0.4
107.01385	1.0
117.03504	2.7
125.03936	0.7
129.03575	0.6
141.03459	0.9
153.03439	1.1
155.04968	0.6
157.02882	0.5
159.04468	1.1
166.04242	0.5
167.05064	0.8
169.02939	2.8
171.04518	1.0
179.10799	0.8
181.02934	2.1
182.03743	1.0
183.04521	4.3
184.05315	0.7
185.02467	3.7
187.04056	0.6
189.84549	0.5
196.05220	1.5
197.02429	30.2
198.02753	1.7
199.03969	0.5
205.89905	0.5
210.03142	0.6
211.03970	4.8
212.04718	0.8
213.01889	1.7
215.03439	0.8
225.01920	66.2
226.02283	3.8
227.03529	3.1
237.01930	7.9
238.02582	1.9
239.03516	5.5
240.04272	84.5
241.04631	5.7
246.14796	0.5
253.01398	20.4
253.05286	0.8
254.01784	1.3
255.02985	15.5
256.03339	1.3
267.03030	1.9
268.03751	34.3
269.04163	2.3
283.02548	20.1
283.06125	100.0
283.26413	13.9
284.03098	1.7
284.06473	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	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01641	0.7
58.00593	8.9
59.01075	1.2
59.01377	20.8
67.62106	0.6
71.01382	7.8
71.48438	1.3
72.99301	1.5
83.58952	0.6
85.02956	0.8
87.00874	1.6
89.02447	5.0
93.02870	1.6
93.03458	27.4
95.01379	1.0
99.00879	2.1
101.02440	1.9
106.04276	0.9
107.05023	12.8
109.52806	0.6
113.02430	0.8
114.05595	1.0
118.67262	0.6
119.05037	5.3
121.02935	4.0
121.05071	1.0
123.04542	0.8
133.02956	1.9
134.03748	2.6
135.04515	32.8
136.04819	0.8
147.01442	0.9
147.04510	2.9
147.17232	0.7
149.06042	2.1
157.54909	0.7
161.04462	0.9
161.06197	0.7
163.04019	10.2
165.05565	100.0
166.05890	4.4
177.05566	5.7
179.03532	2.4
181.05064	8.1
182.05484	0.8
191.07088	0.9
193.05029	5.5
195.06664	1.2
205.05121	2.0
223.06093	5.7
223.07945	1.0
265.07095	1.3
268.22098	0.7
272.74350	0.7
283.08099	10.2
283.26389	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	283.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03441	1.6
57.65739	1.4
58.00589	4.9
59.01376	100.0
60.01715	1.4
71.01378	67.3
71.48865	1.5
72.99298	3.2
73.02942	9.3
75.00871	1.6
78.10363	1.3
83.01389	8.9
85.02946	14.8
87.00875	4.1
88.32328	1.2
89.01870	2.9
89.02438	60.2
93.03485	1.9
95.01397	3.8
99.00896	2.3
101.02439	49.9
101.03114	2.4
113.02435	25.4
113.07186	1.7
114.05589	2.2
119.03499	22.7
121.03008	1.5
121.05062	28.1
124.92665	1.2
125.02434	1.9
131.03514	2.2
133.42871	1.5
135.04555	2.3
138.03191	1.3
143.03502	5.1
150.04204	2.1
151.04567	2.1
159.03004	3.0
161.04549	23.3
165.05559	6.7
179.05621	12.7
180.11566	1.1
187.00975	1.7
223.08282	4.4
255.03122	1.8
261.57877	1.3
283.10385	49.7
283.26407	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	283.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22573	1.2
58.00591	4.2
59.01382	100.0
60.01701	1.5
70.74968	1.1
71.01385	57.9
71.48834	1.6
71.49253	1.7
72.99325	3.2
73.02953	8.2
75.00901	1.3
75.35535	1.3
78.45851	1.3
83.01392	5.5
84.18562	1.2
85.02952	16.5
86.84657	1.2
87.00885	3.5
87.78201	1.3
88.07827	1.2
89.02448	59.7
93.03469	4.3
95.01411	4.5
96.44779	1.1
97.02929	1.6
99.00902	2.8
101.02444	44.4
105.16100	1.2
113.02452	21.3
114.05640	2.1
116.33178	1.3
119.03504	21.1
121.02966	2.3
121.05068	29.1
125.02398	1.5
131.03494	2.2
135.04553	3.6
143.03523	4.8
149.04561	1.4
150.04265	3.4
151.04546	1.6
159.02962	2.1
161.04562	23.6
165.05557	14.5
175.61314	1.2
179.05646	10.5
180.11386	1.3
181.05048	1.5
223.08260	2.8
255.03165	2.9
283.02527	3.4
283.10391	47.6
283.26434	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	283.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03434	2.2
57.95922	1.3
58.00596	4.3
59.01378	100.0
71.01382	63.4
71.48801	2.4
72.99307	3.1
73.02950	11.4
76.37904	1.4
83.01392	4.2
85.02943	18.9
86.67010	1.2
87.00875	4.0
89.02448	62.0
90.59531	1.2
93.03461	5.7
95.01418	3.2
95.39304	1.1
97.02879	1.2
98.63027	1.4
99.00886	5.4
101.02441	48.3
102.98611	2.0
107.05040	2.1
113.02439	27.2
114.05619	1.4
119.03498	25.1
119.04929	1.4
121.02973	3.8
121.05070	31.6
124.47310	1.3
125.02489	1.8
125.83556	1.6
131.03499	2.3
133.01506	1.9
135.04521	8.2
143.03514	4.5
149.04504	1.7
150.04185	3.0
151.02553	1.3
151.04590	1.8
159.02901	1.6
161.04546	20.6
163.04034	2.2
165.05554	23.3
171.23424	1.3
173.77869	1.4
177.03326	2.1
177.05659	1.5
179.05646	9.5
181.05095	1.5
198.12508	2.2
208.94734	1.4
223.08211	4.4
255.02972	2.2
283.02539	5.1
283.10474	40.4
283.26413	19.1
284.12698	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	283.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
67.07590	1.0
71.01380	5.1
76.64607	1.1
81.48063	1.1
89.02446	5.4
98.19854	2.3
101.02393	1.5
113.02412	2.3
117.03451	3.1
119.03446	1.6
121.02958	2.5
121.04980	1.5
135.11781	2.5
159.04601	1.2
161.34793	1.2
179.10767	63.4
179.28381	1.3
180.11066	1.5
182.03749	1.8
183.04460	4.2
185.02347	1.9
197.02502	1.6
197.11734	1.4
211.04031	2.2
211.07516	1.6
223.09689	3.4
225.01997	6.5
237.02068	1.2
239.07138	1.2
240.04237	4.2
240.07816	1.3
253.01326	2.9
253.05173	1.8
255.02992	16.3
262.77362	1.1
268.03741	6.4
268.07410	2.1
283.02454	21.2
283.06070	12.3
283.10083	4.1
283.15894	1.7
283.26407	70.7
284.03064	1.6
284.26736	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	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.95928	0.4
59.01369	1.5
67.42211	0.3
71.01381	0.7
89.02460	1.0
98.19959	1.0
101.02431	0.7
106.04246	0.5
107.05025	100.0
108.05377	2.9
121.02965	2.3
163.11281	95.5
164.11609	4.8
193.60254	0.4
255.02898	0.7
283.02457	1.0
283.17020	84.3
283.22806	6.1
283.26385	36.1
284.17365	6.3
284.26773	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	285.0401
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.74947	0.1
57.79089	0.1
60.86031	0.1
63.02400	1.1
65.00321	1.0
67.01877	0.3
71.01366	0.3
71.44437	0.2
79.01871	0.2
81.96205	0.1
83.01381	1.2
85.02940	0.2
85.61109	0.1
89.03967	0.2
91.01897	0.3
93.03453	3.0
95.01371	0.5
95.04994	0.3
100.67032	0.1
105.03413	0.2
107.01391	2.1
108.02191	0.7
109.02936	1.0
117.03445	0.9
119.01368	0.3
121.02962	0.5
123.00873	0.4
123.04523	7.0
124.04854	0.2
130.04192	0.2
131.04994	0.4
131.81808	0.1
133.02928	0.5
135.00873	0.7
137.02429	0.6
141.07083	0.3
143.05045	1.7
145.02974	1.1
145.06555	0.3
147.00845	0.2
147.04446	0.2
149.02434	0.2
151.00359	2.2
153.01903	0.2
154.04247	0.9
155.05048	0.8
156.05763	0.4
157.02945	0.4
157.06554	0.7
158.03719	0.4
159.04497	1.6
161.02477	0.7
161.06021	0.2
163.00388	0.7
164.01189	0.6
165.01915	0.3
167.05034	0.7
168.05821	0.3
169.01451	0.2
169.06604	1.2
171.04498	1.6
173.02394	0.7
175.03946	0.2
183.04454	0.5
184.05182	0.8
185.06071	2.3
187.04007	1.9
189.05563	0.4
191.00003	0.1
195.04509	0.5
196.05208	0.2
197.06017	0.2
198.03201	0.4
199.04019	0.3
201.05542	0.8
210.03111	0.1
211.03970	1.3
211.13380	0.2
212.04671	0.3
213.02007	0.2
213.05533	1.0
214.02638	0.8
215.03520	0.8
219.02992	0.4
223.04037	0.1
227.03519	1.0
229.05048	2.2
230.05424	0.2
239.03456	1.9
240.04153	0.4
241.05009	0.5
243.02986	0.8
255.02914	0.7
256.03665	0.3
257.04608	1.1
267.02887	0.2
268.03732	0.5
270.54477	0.1
284.03171	0.3
285.04010	100.0
286.04376	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	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14526	0.9
52.23985	0.8
53.51414	0.8
59.01369	1.4
65.07062	0.8
68.66290	0.9
69.07049	0.9
69.20393	8.7
71.01379	1.9
81.11768	0.9
89.73407	0.8
91.05547	1.3
93.03419	1.0
95.05038	2.9
98.37437	0.9
99.00919	0.9
105.03492	2.1
106.04210	1.1
107.05011	3.6
117.03481	2.3
123.04530	63.9
133.02914	2.7
134.03743	15.9
135.04530	96.7
136.04823	3.0
137.02463	1.0
161.04562	1.7
179.03499	100.0
180.03838	4.3
211.13348	1.5
226.06250	1.7
252.10233	1.0
284.26746	1.2
285.04013	7.4
285.07220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Gnetofuran B
Peak:m/z	Relative Intensity
51.04400	0.3
59.01369	1.4
65.00321	1.7
68.99815	0.6
71.01380	3.1
71.50684	0.4
72.99307	0.7
73.02943	0.9
77.03963	1.0
78.95889	1.1
82.00587	0.6
83.01369	0.4
85.02936	1.6
93.03452	1.4
95.01391	0.7
95.05026	5.0
95.71549	0.3
95.84667	0.3
96.99324	0.6
99.00878	0.4
101.02440	1.5
105.03450	1.4
107.01371	0.4
108.02196	0.4
110.00095	25.0
111.00391	0.4
113.02444	1.1
121.02934	1.2
122.00063	0.5
123.00901	1.4
123.04520	100.0
124.04840	2.8
124.98824	0.5
125.99491	0.3
136.98817	0.8
137.99570	7.8
138.00652	0.4
139.45079	0.3
141.99077	1.6
149.02446	1.7
149.06076	0.9
151.00385	0.7
159.02908	0.4
161.04610	1.5
165.99068	24.7
166.99387	0.9
169.06506	0.5
171.04440	0.4
178.99867	1.5
211.13345	0.9
213.05569	0.9
214.02666	0.3
214.06351	0.5
229.05042	0.3
241.05055	0.4
242.05815	1.4
246.05310	1.0
255.03036	0.5
255.06572	0.6
257.04340	0.3
270.05322	27.7
271.05719	1.6
284.26636	1.5
285.04105	10.0
285.07715	32.2
285.20825	1.1
285.27060	0.5
286.04456	0.9
286.08023	2.3
286.23883	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	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67809	11.6
59.01376	14.8
62.95099	12.5
69.75848	58.4
69.76241	22.5
105.01933	100.0
123.04528	19.8
161.24005	11.7
234.10011	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	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.02617	0.2
56.54416	0.2
57.03433	0.5
59.01381	1.7
69.55230	0.9
69.55637	0.5
71.01383	9.9
72.99306	0.2
73.02953	3.1
77.03959	0.5
79.05534	5.6
81.03455	4.6
83.01392	1.1
85.02955	4.0
87.00867	0.5
89.02475	0.2
90.98566	0.3
93.03460	0.4
95.01383	0.9
95.05040	0.9
98.19907	0.4
99.00867	1.2
101.02448	4.3
105.03429	0.4
113.02454	4.1
121.02866	0.3
123.04527	100.0
124.04858	2.6
143.03514	0.4
143.42056	0.3
147.04503	0.3
152.84171	0.2
159.02975	0.9
161.04576	4.2
169.74335	0.2
172.97430	0.2
236.46490	0.3
269.76080	0.3
285.04141	1.8
285.09787	0.3
297.78256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10329	1.2
57.03437	1.4
58.00584	2.8
58.67822	1.4
59.01378	100.0
61.70235	1.5
71.01381	49.9
72.99303	2.8
85.02961	7.9
87.00878	2.7
88.36426	1.5
89.02442	79.9
90.02757	1.6
95.01394	3.2
95.05054	1.8
98.20610	2.6
101.02442	21.1
105.03433	1.9
113.01711	2.2
113.02442	23.4
119.03497	25.3
123.04521	69.8
124.87900	1.3
131.03513	2.5
143.03476	3.6
149.02533	1.4
149.04504	2.8
153.03767	1.5
158.61673	1.2
161.04510	4.9
179.05582	15.8
195.55559	1.3
225.16003	2.7
285.03922	5.2
285.09790	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	285.098
Annotation	Salicin
Peak:m/z	Relative Intensity
55.01873	0.2
59.01381	0.5
60.56616	0.2
66.99887	0.2
69.68735	0.3
69.69150	0.6
71.01386	2.6
73.02973	0.7
73.03306	0.1
77.03966	2.2
77.48283	0.1
83.01398	0.2
85.02949	1.0
93.03446	0.7
95.05027	4.1
98.19941	0.3
99.00893	0.4
101.02438	1.1
104.69886	0.2
105.03456	3.3
106.03791	0.2
113.02458	1.4
121.02987	0.9
123.04530	100.0
124.04861	3.3
125.02410	0.2
149.02432	1.4
153.49817	0.1
159.03050	0.2
161.04568	1.7
207.95160	0.2
222.87030	0.2
266.07751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46869	1.4
57.78091	1.5
58.00583	4.6
59.01377	100.0
69.02991	1.5
71.01376	57.8
71.09279	3.6
72.99309	2.4
73.02941	3.1
83.01405	2.6
85.02937	7.6
87.00867	4.0
89.02440	92.9
95.01352	3.8
95.04997	2.2
101.02439	22.4
113.02437	21.4
119.03498	28.1
123.04527	56.8
143.03500	5.4
149.04570	4.1
161.04556	5.7
163.84007	1.5
179.05620	15.6
263.22708	1.8
271.85287	1.5
285.03955	3.7
285.09772	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	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01452	1.1
69.29982	2.7
71.01453	0.8
78.95995	0.4
84.02240	0.5
85.03014	0.5
95.05130	1.3
99.04617	0.5
99.27014	0.3
101.02505	0.5
102.32808	0.3
105.03548	0.7
113.02541	0.3
121.03102	0.4
123.04522	28.1
124.04955	0.8
125.09865	0.4
149.02519	0.4
161.04568	0.6
165.02089	0.3
169.06633	0.3
182.07446	0.5
184.05223	3.0
197.06116	0.4
199.07684	0.4
211.13348	0.4
212.04776	19.2
213.05179	1.0
215.99667	0.3
223.03847	0.4
225.05507	0.4
226.06328	5.5
227.07115	23.8
228.07364	1.5
239.03467	0.5
240.04294	3.1
241.08694	0.6
253.10739	0.3
255.06610	100.0
256.06937	5.8
270.08957	59.7
271.09247	4.7
285.04474	5.0
285.07761	2.9
285.11261	31.3
285.26978	0.4
286.11694	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	285.1821
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
58.02969	7.7
59.01363	1.4
68.28889	0.6
69.70078	1.5
69.70489	2.5
71.01376	1.5
73.22292	0.6
80.05052	0.9
95.05040	2.4
97.06607	0.8
101.02424	1.0
102.32941	0.6
105.03488	1.0
107.15688	0.7
107.85387	0.6
114.09236	0.9
121.02918	0.7
121.04803	0.5
123.04520	50.6
124.04845	1.6
126.09263	1.4
128.10709	0.8
129.10339	1.6
130.08734	100.0
131.09093	2.0
141.10294	0.8
154.08733	13.7
168.08936	0.6
171.11404	1.0
179.01013	0.7
182.15448	1.5
199.18149	89.3
200.18466	4.4
211.13324	0.9
241.19225	8.9
243.17128	3.5
285.04007	6.2
285.07361	1.1
285.18185	94.0
286.18564	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	286.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91092	0.4
59.41762	0.3
60.62216	0.3
70.24548	0.8
70.24927	0.6
96.96024	0.4
107.72769	0.4
111.43649	0.4
113.42143	0.4
116.04778	0.4
118.84743	0.4
123.04526	4.0
124.04848	4.2
146.14253	0.4
159.61165	0.4
168.04562	0.6
180.04532	0.5
182.03680	1.0
183.03073	0.6
183.04514	1.0
184.03918	1.8
196.04048	0.9
197.02539	0.5
198.03223	1.8
198.05550	1.2
199.03929	1.1
201.01904	3.0
208.03976	2.6
209.04726	0.7
210.03214	1.6
210.05557	1.1
211.04010	3.8
212.04904	0.6
213.05569	1.1
223.76613	0.4
224.03349	2.5
225.04295	3.1
226.02734	1.6
226.05083	3.3
227.03488	3.3
236.03528	1.9
237.04259	5.0
240.04178	0.7
241.05052	3.7
243.05292	0.5
252.02998	1.1
253.03777	3.5
254.04564	43.2
255.04767	2.2
263.46976	0.4
268.06107	1.2
269.06870	0.9
271.04837	46.5
272.05176	2.5
286.07187	100.0
287.07510	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	286.072
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
53.42478	0.2
65.99854	0.4
69.35228	1.7
69.38176	0.2
95.06093	0.2
98.19939	0.5
106.37813	0.2
108.00922	0.4
122.48032	0.2
123.04485	1.0
124.04870	1.2
131.05013	1.5
143.04996	0.2
145.02994	0.2
152.05023	0.4
155.05048	0.6
156.04556	0.5
157.03015	0.3
159.04533	1.0
167.05046	0.8
168.04517	1.2
169.06581	4.4
171.04507	1.1
172.04053	0.2
176.98657	0.2
180.04538	3.9
180.06041	0.3
180.61282	0.2
182.03844	0.3
182.05995	0.4
183.04466	1.8
184.03989	1.5
185.02417	2.6
185.06129	1.4
186.03111	0.4
186.05582	0.3
190.67189	0.3
192.04514	0.2
195.04527	0.8
196.03949	2.3
196.05299	0.3
197.04668	0.6
197.06264	1.5
198.03183	1.4
198.05608	0.5
199.04018	2.7
200.04575	0.3
204.28043	0.2
208.04008	2.3
209.04736	0.7
210.01959	0.7
210.05562	0.6
211.04070	1.5
212.03506	0.8
213.05554	10.3
214.05943	0.5
215.07082	0.2
224.03418	2.2
225.04202	14.4
226.05023	5.4
227.03490	3.9
229.08620	0.4
237.05472	0.7
238.05070	0.6
239.07379	1.0
240.04335	0.4
240.06598	0.4
241.05183	9.0
242.04558	7.4
243.05283	0.9
250.05069	1.1
252.03040	0.8
253.03798	4.1
254.04541	5.7
256.02542	0.3
256.07416	1.2
268.06064	1.0
269.06891	4.3
270.04056	2.8
271.04843	39.4
272.05142	1.8
286.07190	100.0
287.07520	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	286.072
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
59.01376	4.2
60.50736	0.5
65.99877	0.8
71.01405	0.7
77.68629	0.6
78.95966	0.7
93.03520	2.2
95.05090	0.9
96.05412	1.0
105.02201	0.6
106.03826	0.8
110.79965	0.6
117.07150	1.0
121.02928	5.7
123.04525	19.5
124.04850	18.9
126.57760	0.7
145.02991	0.9
151.04071	2.3
154.04288	0.9
154.06680	0.7
158.06169	1.0
159.04518	3.2
164.13484	0.7
167.05023	1.2
168.04601	2.2
169.05330	1.1
172.05287	0.6
180.04596	1.1
181.05354	1.1
182.03731	1.5
182.06212	1.5
183.04570	2.7
184.04074	1.7
185.02478	2.9
186.03259	1.6
192.04622	1.7
195.04509	3.0
196.04108	2.2
197.02495	1.1
197.04816	2.3
198.03157	4.4
198.05624	2.3
199.04025	4.0
208.04047	6.6
209.04675	1.1
210.03331	2.5
210.05597	1.0
211.03896	0.8
213.05600	7.7
223.04063	1.5
224.03484	8.0
225.04274	10.9
226.02907	1.2
226.05066	12.1
227.03470	2.4
227.12930	2.7
236.03545	1.6
237.04359	0.9
240.04340	1.3
240.06731	1.8
241.05090	5.8
241.07265	0.8
242.04749	1.1
252.03056	1.0
253.03737	3.3
254.04576	22.8
255.04961	1.2
256.07385	1.5
268.06046	1.4
269.06860	3.2
270.04080	2.7
271.04852	82.4
272.05023	3.8
272.10431	3.9
286.04556	4.7
286.07196	100.0
287.07559	6.3
287.12457	5.1
287.15707	0.9
302.21408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22345	0.6
71.01390	0.6
80.71964	0.6
95.50704	0.6
104.02655	0.7
123.04537	6.2
124.04858	6.8
127.65455	0.6
143.04964	0.8
168.05611	0.6
169.06665	0.8
172.05371	0.7
182.06215	0.8
183.04520	4.0
184.05286	0.7
196.05319	3.0
197.05724	0.5
198.03134	0.9
198.05620	1.3
199.03981	4.5
203.16295	0.6
209.04742	1.7
210.05452	0.9
211.07602	0.7
212.04886	0.6
213.05576	10.5
224.04776	20.9
225.05182	0.9
226.02788	1.3
226.05078	21.0
227.03557	1.4
227.05432	1.0
228.04008	0.7
229.08682	1.1
239.07150	8.6
241.05045	7.2
254.04581	32.2
255.04948	2.2
256.07413	1.6
269.06943	19.5
270.07324	0.8
271.04855	57.9
272.05228	4.0
286.07211	100.0
287.07535	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	286.0721
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
65.99852	0.5
68.99819	0.4
69.10221	0.3
69.12924	0.3
75.62006	0.3
84.76414	0.3
98.19857	0.6
109.09977	0.3
123.04522	1.1
124.04855	1.2
131.05020	0.5
143.05000	1.2
154.04213	0.7
155.03871	0.3
155.05011	0.7
156.04486	0.6
156.74242	0.3
158.03827	0.3
158.83687	0.3
159.04543	1.5
167.05013	3.6
168.04536	1.3
169.06567	1.6
170.03719	0.4
171.04509	0.6
180.04581	0.8
181.05290	0.5
182.03670	1.2
182.06113	0.5
183.04486	4.6
184.03989	4.6
184.05283	0.4
185.02274	0.4
185.06071	0.4
194.06145	0.3
195.04517	3.5
196.05231	0.4
197.06184	0.5
198.03281	1.5
198.05504	0.9
199.03999	2.0
205.05266	0.4
207.03267	0.4
208.04025	7.2
209.04503	0.5
210.03464	0.4
210.05528	1.4
211.04047	2.0
212.03511	1.4
213.05562	15.7
214.05891	0.8
222.91606	0.3
223.03986	0.3
224.03526	1.1
225.02071	0.6
225.04239	3.3
226.02693	1.4
226.05069	5.9
227.03461	5.7
229.11823	0.4
236.03473	1.1
238.05078	1.0
239.05676	0.4
240.04207	0.6
241.05049	12.9
242.04521	2.5
243.05304	0.9
250.05080	1.2
252.03036	1.3
253.03777	9.3
254.04555	12.5
255.04926	0.7
268.06070	0.8
270.04050	8.4
271.04834	12.2
272.04935	0.4
286.07190	100.0
287.07471	6.6
299.52954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.072
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
59.01375	1.3
65.99837	0.4
73.47493	0.2
98.19931	0.6
123.04543	2.0
124.04828	2.2
131.04900	0.3
143.04982	1.1
145.02808	0.4
154.04230	0.9
155.05006	1.1
156.04497	0.9
157.02939	0.3
158.03738	0.3
159.04451	1.4
167.05017	3.1
168.04518	1.6
169.06575	1.5
170.03693	0.3
171.04510	0.7
180.04495	1.4
181.05194	0.3
181.12331	0.3
182.03734	0.7
182.06021	0.7
182.12668	1.1
183.03038	0.5
183.04509	4.9
184.03987	3.8
185.04512	0.3
185.05945	0.6
192.04535	0.3
194.06139	0.4
195.04514	4.4
195.26616	0.3
197.04550	0.4
197.06154	0.5
198.03209	1.5
198.05553	0.9
199.03973	2.1
205.05252	0.4
206.06027	0.3
208.04004	6.4
209.04587	0.7
210.03311	0.6
210.05557	1.7
211.04001	2.2
212.03505	1.1
213.05547	16.4
214.05945	0.7
218.02620	0.3
222.05614	0.3
222.83485	0.3
223.04010	1.3
224.03526	1.0
225.02106	0.5
225.04207	3.1
226.02730	1.8
226.05064	6.0
226.07378	0.3
227.03467	6.3
228.03934	0.5
236.03505	1.2
237.05574	0.3
238.05090	0.9
239.03465	0.7
240.04185	1.2
240.06427	0.3
241.05048	12.2
242.04613	2.4
243.05295	0.9
250.05138	1.6
252.03014	1.0
253.03790	8.7
253.06419	0.4
254.04553	12.3
268.06131	0.7
270.04053	8.4
271.04840	13.9
272.05069	1.0
286.07190	100.0
287.07425	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	286.072
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
69.12958	3.9
69.13363	0.5
78.81593	0.4
97.79468	0.4
123.04524	2.6
124.04862	2.4
158.90804	0.4
167.14412	0.4
169.06602	0.8
184.62317	0.3
185.06036	0.7
197.06116	2.0
199.03885	0.6
208.04120	0.6
209.04817	0.8
210.05569	0.5
211.03938	0.5
213.05547	6.1
214.04999	1.8
223.04051	1.7
224.03577	0.8
225.04048	0.4
226.05074	16.8
227.05820	11.0
228.06137	0.6
241.05075	1.1
242.04558	1.9
243.05336	7.0
253.03654	0.6
254.04562	4.6
256.07501	0.6
270.03940	3.4
271.04834	94.0
272.05121	5.6
286.07181	100.0
287.07510	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01379	0.7
70.02971	1.0
74.06104	2.2
79.12266	0.3
88.07698	0.4
102.40402	0.4
110.00092	1.5
111.00421	0.6
117.07126	2.6
118.05084	1.0
123.04526	2.8
124.04873	2.2
165.99057	1.1
166.99332	0.6
168.05811	0.5
182.05901	0.3
208.50313	0.3
240.23320	2.8
242.21242	1.6
242.24869	0.7
268.22668	0.5
271.05630	2.4
286.04242	0.9
286.07898	2.9
286.23856	100.0
287.16464	1.9
287.24252	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03443	1.4
59.01374	100.0
60.01696	1.2
69.49365	3.6
69.49791	1.8
74.10066	0.7
77.97576	0.8
83.04993	0.7
89.04025	0.8
97.06561	1.4
99.04454	2.4
102.04707	1.8
115.05453	3.4
117.07098	58.8
118.07345	1.5
123.04427	2.1
124.04801	1.0
125.09701	6.2
131.13602	0.8
143.04930	1.0
144.05426	0.8
165.12659	2.2
169.80826	0.8
207.13843	3.6
207.15317	0.8
209.11809	8.9
225.14952	7.1
227.12857	52.8
227.14885	2.7
228.12907	1.7
243.17247	0.8
251.12376	2.4
269.00552	0.9
269.13861	15.6
270.13882	1.2
287.03818	1.3
287.14532	69.8
287.21277	3.5
288.14960	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	287.15
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
56.46768	0.6
57.03439	1.2
59.01378	100.0
60.01709	1.4
60.99304	0.9
69.59428	1.9
69.59837	2.7
73.13708	0.7
74.73006	0.6
75.91906	0.6
83.05019	2.0
97.06577	1.8
99.04544	2.1
117.15513	0.7
123.04536	1.1
125.09730	7.2
142.06680	0.7
165.12840	2.1
167.10799	0.8
187.09755	6.5
207.13913	4.4
209.11835	9.4
225.14926	6.8
227.12872	58.8
228.13287	2.1
229.36852	0.8
243.02922	1.0
251.12846	1.8
269.13913	18.5
270.14166	1.2
287.04636	5.0
287.14990	84.0
288.15234	3.8
291.81741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Estriol
Peak:m/z	Relative Intensity
59.01363	2.2
59.52296	0.7
61.98831	1.5
69.44286	2.3
69.44713	2.8
71.05035	0.9
79.12937	0.7
86.69312	0.7
97.06590	3.6
99.92587	1.8
102.04750	2.7
115.05545	2.9
115.07613	0.8
117.07104	62.7
118.07433	2.2
121.06519	1.2
123.04568	3.5
125.02430	0.8
125.09724	7.8
140.24667	0.8
153.12845	26.4
153.14093	1.5
154.13138	1.7
160.08987	1.1
163.11334	1.1
171.08150	1.1
181.12341	100.0
182.12657	5.2
196.11211	1.0
207.84430	1.0
215.14375	0.8
231.13878	1.8
235.35840	0.8
243.17566	2.1
269.00787	1.1
272.06918	0.8
287.01825	0.9
287.04816	1.4
287.09586	1.9
287.16516	62.3
288.16821	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	288.0764
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01374	7.3
70.55570	0.8
70.55908	0.6
71.01385	0.4
73.33111	0.3
74.00991	0.3
74.02475	2.5
78.51963	0.3
82.02975	0.4
82.03461	0.3
82.06635	0.6
87.00849	0.4
87.05656	0.8
88.04047	1.1
90.97141	1.5
96.94795	0.4
101.02429	0.4
104.03454	0.3
114.28550	0.4
125.02407	0.5
130.08731	100.0
131.09077	3.1
132.98189	0.9
141.98204	0.8
142.96588	1.3
143.11902	0.9
155.11902	0.5
160.97667	1.2
170.21472	0.3
174.99255	0.9
183.11365	0.6
184.97705	1.7
187.98784	0.8
200.14006	0.6
202.98785	1.9
214.15564	0.5
244.04945	3.9
244.12865	2.1
246.06601	3.1
258.14566	1.5
288.07623	58.1
288.15622	1.5
289.07944	2.4
300.28009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01371	0.7
64.79627	0.3
71.50391	0.5
78.72399	0.3
81.03446	1.6
88.40759	0.2
92.05045	0.8
93.03462	1.7
99.92562	0.4
108.02164	0.6
108.04556	4.8
109.02954	5.4
121.02933	0.6
124.01659	0.6
134.02475	38.4
135.03282	9.0
136.04037	39.7
137.02467	2.1
137.04434	1.4
148.04024	1.2
149.04796	1.5
163.02698	0.3
176.03535	4.8
177.04250	0.8
181.03867	0.4
190.05086	0.5
204.06633	0.5
288.16031	100.0
289.16214	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	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
63.66581	0.8
67.01881	1.1
71.01377	11.2
71.50404	1.4
71.50757	1.0
73.02930	7.3
83.01382	1.9
84.04572	0.9
85.02934	2.0
89.02434	9.2
95.01398	1.7
101.02438	8.2
113.02419	3.6
115.92039	0.9
119.03490	2.1
128.03539	1.3
132.26015	0.9
132.74747	0.8
140.52509	0.8
152.23840	1.0
161.04449	1.4
184.07602	1.0
201.09229	2.5
232.93655	0.9
245.08009	0.9
289.07196	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.50365	0.1
53.69361	0.1
59.01375	2.3
60.96846	0.1
60.97161	0.1
69.03450	0.2
69.18014	1.1
69.18419	0.3
71.01390	0.3
80.02679	1.7
81.03438	0.7
83.05028	0.8
93.03471	0.3
93.55329	0.1
95.05016	1.0
97.06578	0.4
106.04241	1.7
107.05019	0.8
107.08677	0.2
109.06587	12.5
110.06924	0.3
111.08159	2.3
113.02402	0.1
116.56954	0.1
117.07099	0.4
119.05034	0.3
119.08636	0.3
120.05782	0.6
121.06580	0.7
121.10217	0.3
122.03720	0.2
123.08153	2.1
125.09693	0.2
127.07642	0.1
129.09206	0.4
131.05028	0.2
131.08591	0.2
133.06580	0.2
133.10199	0.3
134.07332	0.2
135.08174	0.9
135.11754	0.2
137.09705	1.3
141.09193	0.2
143.10779	2.2
145.06583	3.7
146.06998	0.2
147.08159	0.3
149.09703	2.0
151.11290	1.3
153.09169	0.2
159.08099	0.7
160.08871	0.2
161.09689	0.3
163.11278	0.8
165.09253	0.2
167.10780	2.5
174.10454	0.2
175.11176	0.3
177.09160	0.4
177.12846	0.6
179.10756	1.3
181.12294	1.0
191.14378	0.5
193.12326	0.2
195.13916	0.4
215.14310	0.6
216.15154	0.3
217.15988	0.4
227.18054	0.5
227.49289	0.1
229.15996	0.3
243.17499	0.6
245.19072	6.5
246.19370	0.4
247.17091	0.1
259.13412	0.3
261.18533	0.6
271.17029	1.8
272.17413	0.2
273.14905	0.8
275.00974	0.1
276.69516	0.1
287.16534	3.1
288.17004	0.3
289.18063	100.0
290.18408	7.8
312.08447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00583	0.3
59.01379	1.2
59.96720	0.2
60.97498	0.3
63.48165	0.1
63.55746	0.1
69.74995	1.0
71.01383	0.7
71.04996	0.4
73.02940	1.4
74.99065	1.5
83.05041	0.2
93.00116	0.5
97.06578	0.5
98.19948	0.2
105.44356	0.2
111.08152	0.4
121.02924	0.4
121.10217	0.6
125.06068	0.3
125.09702	0.5
134.99339	0.4
143.05327	0.3
149.00943	2.4
149.13382	0.2
153.12816	0.2
161.06425	1.0
165.12820	1.0
185.11792	0.3
192.98155	1.4
206.99712	0.6
209.01263	4.4
209.04384	0.3
210.01144	0.2
217.07190	2.2
219.17462	0.2
225.00757	0.5
229.19415	0.2
235.02666	0.2
247.16896	0.2
247.20596	1.0
255.21169	0.3
261.22250	0.3
263.20135	0.5
263.23724	0.4
272.91592	0.2
273.18854	1.1
273.22073	1.2
275.05920	0.8
289.07553	2.4
291.09082	100.0
291.19638	16.7
291.23248	4.2
292.09180	9.7
292.19971	0.7
292.23572	0.3
309.10101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18890	0.8
57.03444	0.9
59.01370	7.3
61.03713	0.7
64.35613	0.8
67.20420	0.8
70.81611	1.9
70.81949	1.4
71.01375	1.5
84.86999	0.9
99.08159	16.5
101.02428	5.0
119.03497	92.3
120.03860	1.3
127.07641	22.3
129.05579	79.5
130.05881	1.7
145.08704	2.3
171.06602	4.0
189.07675	100.0
190.07993	3.7
291.10901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77065	0.8
57.03434	2.6
58.90091	0.8
59.01137	0.7
59.01373	6.7
69.68153	3.4
69.68558	1.5
71.01378	1.5
73.02925	1.0
95.42371	0.8
98.19908	1.5
99.00894	0.9
99.08152	17.8
100.08568	0.7
101.02448	4.4
101.32186	0.7
101.73187	0.7
119.03496	93.0
120.03860	1.0
125.03642	0.7
127.07650	18.4
129.05576	73.3
130.05898	1.5
145.08699	3.2
160.54771	0.9
169.02522	1.0
171.06586	3.8
189.07671	100.0
190.07996	3.8
269.25220	0.8
291.10928	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	291.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90781	0.5
55.01888	1.3
55.39081	0.5
56.11148	0.6
57.03453	5.2
59.01382	8.4
69.03452	1.9
69.60886	2.1
69.61295	1.2
71.01385	100.0
72.01722	1.1
73.02948	6.9
78.47925	0.5
81.03469	0.6
83.01389	7.2
85.02953	27.3
85.06630	0.7
87.00896	1.4
89.02463	2.2
95.01390	1.4
97.02980	0.5
99.00890	2.5
99.08154	3.4
101.02444	18.1
101.06071	1.3
103.04036	5.4
113.02448	8.5
119.03516	1.6
127.07668	8.7
129.05603	5.3
147.06641	73.6
148.06966	2.1
153.05588	5.0
157.61543	0.5
159.02933	0.6
165.45961	0.7
169.55199	0.7
171.06647	2.0
201.07716	0.9
204.00314	0.7
223.60628	0.7
246.07761	1.0
291.10928	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	291.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54478	0.3
53.03654	0.2
56.89348	0.3
59.01369	0.7
59.09822	0.3
61.44897	0.3
67.92262	0.2
69.33134	0.2
80.02671	0.3
95.05013	0.3
97.06574	0.6
98.19892	1.0
106.04207	0.3
119.05051	0.4
125.06052	0.7
127.07740	0.3
127.11309	0.3
148.08916	1.5
150.10443	1.0
151.11255	0.9
163.11282	1.1
165.12830	24.2
166.13147	1.3
175.11325	0.4
176.11981	0.7
177.12845	0.6
179.14383	0.4
191.14409	1.0
217.15959	0.5
239.57829	0.3
247.20630	11.7
248.21016	1.2
263.20163	0.3
273.18570	7.4
274.18912	0.5
281.17429	0.3
291.19632	100.0
292.19971	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
71.05020	28.8
71.05420	1.4
71.27568	1.3
97.06596	8.5
111.08165	1.5
163.14903	1.1
165.12816	1.7
181.12370	1.7
189.91002	0.7
195.13982	1.0
207.13853	3.4
217.15933	1.0
219.13861	3.7
235.17027	3.2
247.20679	3.4
273.18503	1.5
278.76236	0.7
291.19656	100.0
292.20053	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
70.99209	1.2
73.02941	55.7
87.34193	0.6
89.16854	0.6
104.30277	0.6
158.32320	0.6
264.91309	0.7
276.52756	0.7
291.19650	100.0
292.19949	8.4
298.79053	0.6
311.00427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
59.01379	2.3
60.84197	1.3
61.98837	1.3
65.83636	1.2
71.01365	3.2
71.51182	1.6
73.02947	2.7
95.05000	1.4
97.06596	75.0
99.92599	1.5
103.88319	1.6
149.13336	1.8
165.12808	5.0
171.10211	3.7
183.13870	3.7
193.12338	22.8
194.13109	2.8
209.04503	1.7
211.13391	53.5
212.13742	3.2
247.20665	2.6
263.20193	3.6
273.18634	6.4
291.19675	100.0
292.20056	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
62.71574	0.6
63.33124	0.7
69.16348	0.6
69.16513	1.5
69.16937	5.0
72.41629	0.6
120.20902	0.6
148.08968	0.9
150.10474	1.0
151.11273	1.0
159.18556	0.7
163.11284	1.3
165.12830	22.2
166.13228	0.9
247.20634	11.0
248.21045	0.9
265.37546	0.7
270.97812	0.7
273.18582	7.0
291.19647	100.0
292.20007	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	291.1963
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.13337	0.8
57.03439	2.2
69.29726	5.6
73.60393	0.6
93.07121	1.3
97.06600	1.5
98.26602	0.6
98.61147	0.6
121.10225	13.7
123.08137	1.1
125.09708	6.6
136.22867	0.7
141.12865	1.4
158.82697	0.6
162.10356	0.6
185.11812	13.4
197.11803	2.7
209.11884	1.1
211.13300	1.3
247.20670	1.2
273.18613	1.4
291.19650	100.0
292.19931	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	291.2328
Annotation	Grevillol
Peak:m/z	Relative Intensity
59.01381	1.4
59.96738	0.2
61.42679	0.3
61.98822	0.7
69.18301	2.2
69.18708	0.6
69.19414	0.3
71.01380	0.8
71.90723	0.3
81.64877	0.3
100.26782	0.3
149.00917	0.3
155.10814	0.3
192.98047	0.3
209.01207	0.5
217.07156	0.6
289.07498	0.6
289.21695	0.4
291.09085	17.7
291.23267	100.0
292.09296	2.4
292.23596	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2331
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03444	2.2
57.44997	0.7
58.00594	8.3
58.89417	0.7
59.01373	2.7
65.26928	0.7
69.03432	1.8
71.01390	3.3
71.05032	0.8
73.02945	29.9
83.05022	3.0
84.02161	8.1
85.02949	1.9
85.06601	1.3
90.28702	0.7
95.05035	2.4
97.06581	4.8
99.08163	1.0
107.05026	0.9
109.06575	2.4
111.08150	3.0
113.06069	1.7
113.09733	0.8
121.02968	1.1
121.10199	0.9
122.00347	0.7
123.08158	1.0
125.06094	4.4
125.09709	2.9
127.07637	0.9
127.11268	1.4
135.08206	1.0
137.09668	1.2
139.07617	3.9
139.11299	1.3
141.12837	1.6
144.76273	0.8
149.09697	0.8
151.11276	1.1
153.09225	1.3
153.12834	1.7
155.14310	1.9
162.16966	0.8
165.12849	2.7
167.14388	1.1
185.11847	0.9
195.13939	1.2
205.19615	1.9
206.13066	1.1
220.14693	0.7
228.97749	0.8
246.18137	0.7
247.17062	1.0
247.20630	3.0
255.21161	4.2
261.22263	4.7
263.20212	1.6
263.23776	9.4
264.24066	1.0
271.20624	0.9
273.18741	3.6
273.22208	23.1
274.22638	2.8
289.21646	1.1
291.19669	38.8
291.23279	100.0
292.19992	2.7
292.23627	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	291.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
57.44997	0.7
58.00594	8.3
58.89417	0.7
59.01373	2.7
65.26928	0.7
69.03432	1.8
71.01390	3.3
71.05032	0.8
73.02945	29.9
83.05022	3.0
84.02161	8.1
85.02949	1.9
85.06601	1.3
90.28702	0.7
95.05035	2.4
97.06581	4.8
99.08163	1.0
107.05026	0.9
109.06575	2.4
111.08150	3.0
113.06069	1.7
113.09733	0.8
121.02968	1.1
121.10199	0.9
122.00347	0.7
123.08158	1.0
125.06094	4.4
125.09709	2.9
127.07637	0.9
127.11268	1.4
135.08206	1.0
137.09668	1.2
139.07617	3.9
139.11299	1.3
141.12837	1.6
144.76273	0.8
149.09697	0.8
151.11276	1.1
153.09225	1.3
153.12834	1.7
155.14310	1.9
162.16966	0.8
165.12849	2.7
167.14388	1.1
185.11847	0.9
195.13939	1.2
205.19615	1.9
206.13066	1.1
220.14693	0.7
228.97749	0.8
246.18137	0.7
247.17062	1.0
247.20630	3.0
255.21161	4.2
261.22263	4.7
263.20212	1.6
263.23776	9.4
264.24066	1.0
271.20624	0.9
273.18741	3.6
273.22208	23.1
274.22638	2.8
289.21646	1.1
291.19669	38.8
291.23279	100.0
292.19992	2.7
292.23627	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27534	0.4
57.78476	0.4
58.02992	0.7
58.62400	0.4
59.01377	1.5
61.76564	0.4
71.01382	1.3
71.50120	0.3
71.50562	0.5
82.51574	0.4
85.02914	0.5
96.95987	0.6
97.56584	0.4
111.08149	0.6
112.16410	0.4
113.58675	0.4
121.10233	0.8
124.20644	0.4
146.47852	0.4
148.05396	0.6
156.13930	100.0
157.14294	3.9
167.10468	0.4
171.10239	0.9
182.98260	0.4
192.11478	0.7
195.13811	0.8
196.14328	0.5
200.12892	5.0
205.12357	0.9
211.13353	0.6
219.17453	0.4
220.14636	4.0
221.15486	8.2
223.13383	0.9
236.10501	5.7
248.20985	0.8
274.18903	0.7
275.20020	2.0
292.19962	20.8
293.17566	1.7
293.21140	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01369	3.7
60.32123	0.6
71.01372	2.4
71.05027	1.6
71.50908	1.3
74.24608	0.7
80.19914	0.7
89.02402	1.0
97.06582	0.7
113.09641	1.0
125.09715	1.5
131.03540	0.7
149.09683	0.9
156.13927	100.0
157.14285	3.7
166.13283	0.7
180.14777	0.6
185.11850	3.8
190.39819	0.7
192.11555	1.1
195.13838	1.3
200.12938	4.4
202.92245	0.7
205.12291	1.1
219.56271	0.6
220.14674	5.4
221.15457	10.6
223.13423	1.4
236.10519	7.9
248.21080	2.4
264.20438	1.8
274.18887	2.2
275.20102	1.5
292.19989	34.7
293.17706	2.4
293.21179	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01872	3.0
57.03440	1.6
58.00599	2.0
59.01381	100.0
71.01385	65.0
71.24401	3.1
72.99297	4.7
73.02946	33.8
75.00884	2.4
83.01391	6.3
85.02959	17.7
87.00880	5.2
89.02444	40.9
89.30213	1.9
95.01408	3.4
99.00874	3.4
101.02445	43.4
103.04004	11.7
113.02457	31.6
119.03512	13.9
131.03503	44.6
138.35645	1.8
161.04538	11.7
173.04585	1.9
201.23628	1.7
232.99683	2.7
281.93573	1.7
293.00009	2.5
293.08777	68.2
293.11795	2.3
294.08975	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03448	0.9
58.00578	3.4
59.01376	100.0
59.49969	0.9
69.33999	6.4
71.01379	50.1
72.99298	2.3
73.02949	0.9
74.17699	0.8
83.01380	2.6
85.02943	9.3
85.06566	1.0
87.00849	1.4
89.02440	66.2
92.11473	0.8
95.01397	3.9
101.02438	36.3
113.02450	22.0
113.03235	0.6
113.06089	3.5
119.02679	1.5
119.03495	27.0
131.03461	1.8
131.07141	7.9
143.03485	3.0
148.78133	0.8
149.04535	2.0
161.04575	1.6
179.05609	2.7
264.46323	1.0
293.12396	50.2
294.12674	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21376	1.0
53.85289	1.0
55.01875	1.5
58.00586	4.1
59.01379	100.0
60.01698	1.3
61.63876	1.0
64.99336	1.1
66.25522	0.9
69.72971	1.0
69.73645	5.9
71.01380	49.0
72.99313	4.3
73.02935	1.2
82.37598	0.9
83.01406	2.4
85.02946	8.6
86.41889	1.1
87.00854	1.9
89.02443	66.1
90.02842	1.1
95.01376	3.8
97.03778	1.1
98.20630	2.2
101.02441	36.1
107.64047	0.9
113.02443	20.4
113.06053	1.7
119.03499	29.9
125.71124	0.9
131.03484	3.2
131.07130	4.5
133.02968	1.1
142.78326	1.1
143.03511	1.9
149.04530	2.3
161.04507	1.5
176.39902	0.9
179.05586	3.1
223.74202	1.1
293.12411	44.6
294.12589	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	293.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82446	0.8
71.01372	6.7
71.26994	1.7
98.54781	0.8
127.07653	1.0
164.08421	1.5
177.09247	5.2
184.02274	0.7
192.11517	5.9
205.12321	7.5
207.13760	0.8
218.09491	2.7
220.14676	46.2
221.15454	100.0
222.15784	6.4
229.76915	0.8
235.13509	1.1
236.10529	68.0
237.10895	5.1
270.76965	0.8
275.20160	1.4
291.90082	0.9
293.17630	6.0
293.21222	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63162	0.3
54.48323	0.3
57.03437	2.0
59.01378	1.8
69.08745	0.4
70.36592	1.3
71.01369	1.0
79.71341	0.3
89.02435	0.5
92.17348	0.3
97.06589	1.3
99.70213	0.3
101.02443	0.3
112.79152	0.3
113.09131	0.4
113.09734	4.0
114.86971	0.3
115.45769	0.3
115.82364	0.4
123.08178	0.6
125.09706	3.6
139.11298	0.9
141.12848	0.9
146.15981	0.3
149.09703	1.4
151.11250	0.4
155.46298	0.4
156.13965	2.3
156.62851	0.3
157.14250	1.9
159.45679	0.3
165.12785	0.5
167.10754	0.6
183.13939	0.8
185.11809	7.8
193.15808	0.3
195.13916	1.9
197.11858	1.7
205.12379	0.4
220.14627	3.1
221.15446	5.7
222.15804	0.4
223.13501	0.4
236.10532	4.2
242.30794	0.3
249.22130	1.3
275.20151	1.4
277.04956	0.5
278.05737	0.4
293.21201	100.0
294.18298	0.4
294.21558	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68185	0.4
57.03435	0.5
59.01381	2.4
61.42636	0.4
61.98811	0.6
67.37608	0.3
69.03464	0.6
69.69257	2.2
71.01364	1.1
79.95744	0.5
83.05050	0.4
85.02910	0.4
90.64329	0.4
97.06593	0.4
111.08136	0.9
113.09708	0.5
136.08916	2.9
167.10715	0.8
168.80032	0.4
171.10289	1.0
179.14384	1.5
192.11563	1.5
193.15944	3.8
194.16061	0.4
195.13887	14.8
196.14494	1.4
205.12292	1.7
211.13312	1.0
212.45914	0.4
220.14648	1.6
221.15456	3.8
223.13374	8.9
223.15390	0.8
224.13821	1.1
228.13649	1.6
231.21213	0.9
236.10484	3.0
239.12753	0.4
249.18523	1.3
249.22212	0.9
256.13132	4.3
265.21762	0.7
275.20154	9.2
276.20358	0.6
293.21191	100.0
294.21524	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
59.01371	3.3
64.23426	0.7
69.76661	3.6
80.27763	0.6
97.06586	0.9
98.19991	1.0
113.09722	14.4
114.10023	0.9
117.40321	0.8
121.10237	9.5
122.20021	0.7
125.09698	1.1
139.11255	1.7
149.09654	0.8
155.10721	0.8
167.10806	2.1
171.10258	21.6
172.10617	1.2
179.10747	1.6
185.11798	1.3
195.13855	3.3
221.15417	0.7
223.13399	1.2
223.16924	0.8
231.21140	1.8
235.17090	2.8
249.22214	2.1
260.24179	0.7
275.20132	28.5
276.20471	2.2
293.21213	100.0
294.21594	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	293.2123
Annotation	13-HOTE
Peak:m/z	Relative Intensity
57.03434	0.7
58.02905	0.4
59.01381	2.0
61.98804	0.7
65.33479	0.4
69.03448	0.4
71.01376	1.4
71.05008	1.0
71.15115	0.4
71.50115	0.7
79.95712	2.3
89.02428	0.5
95.95249	0.6
96.96008	100.0
97.06603	0.4
100.43186	0.4
113.09707	2.6
114.51289	0.4
121.10248	1.6
132.32375	0.4
136.08931	1.7
167.10760	0.4
171.10243	3.1
192.11516	1.1
193.15945	3.1
195.13940	1.0
204.93059	0.5
205.12288	0.8
220.14647	3.5
221.15434	7.3
222.15805	1.2
223.13455	0.8
223.17119	0.5
231.21170	0.6
235.17014	5.8
236.10570	5.2
237.10985	0.5
249.18474	0.6
275.20139	9.2
276.20544	0.7
293.17917	75.2
293.21234	30.5
294.18219	4.9
294.21552	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01390	1.5
59.80117	0.3
69.03445	0.4
69.14549	2.3
69.14970	0.9
71.01380	0.6
76.82800	0.3
87.00844	0.3
90.75719	0.3
93.27644	0.3
95.05019	0.8
111.08158	1.4
113.09702	1.3
167.10693	0.7
177.16539	0.3
179.14359	1.9
181.12363	0.5
195.13902	14.5
196.14566	1.4
205.12341	1.0
205.15921	0.7
211.13348	1.0
223.13371	8.4
224.13863	0.7
225.87206	0.3
228.13667	1.5
231.21170	0.6
239.12857	0.7
242.04672	0.3
249.22189	0.7
256.13162	3.2
265.21829	0.6
275.16821	0.7
275.20126	7.5
276.20428	0.5
293.21207	100.0
294.21545	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64158	0.9
51.76298	0.7
59.01379	7.4
61.98807	0.8
71.01377	9.6
71.04986	1.0
71.50650	1.4
73.95816	0.7
87.00848	1.7
89.02431	1.8
96.96002	2.9
101.02444	1.3
101.30902	0.9
105.39126	0.8
111.08101	1.0
115.99377	0.9
121.10244	1.6
124.09103	0.8
127.07651	1.5
131.65892	0.8
148.05251	1.5
151.07603	0.9
163.11278	2.0
164.08415	1.4
165.12744	1.0
171.10191	2.0
177.09163	3.9
192.11513	6.6
195.13922	8.5
205.12323	6.1
207.13899	1.4
218.09453	1.5
220.14651	40.7
221.15437	79.7
222.15759	4.2
223.13380	4.9
233.10333	0.9
235.13406	1.9
236.10504	59.4
237.10910	3.9
249.18542	1.9
249.22166	1.6
255.73779	1.0
256.13013	2.7
275.20041	9.0
293.08594	1.8
293.17581	9.3
293.21167	100.0
294.21512	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09631	0.6
57.03430	0.8
59.01372	2.4
59.51893	0.5
61.98824	0.9
69.03456	1.0
71.01384	0.9
83.05013	0.9
87.00874	1.0
96.96021	0.9
122.12000	0.6
123.08150	1.3
139.11272	1.4
151.11298	1.8
153.09233	1.2
169.12341	3.0
177.08972	0.6
192.11617	1.1
193.15971	2.0
197.11832	34.5
198.12144	1.5
205.12294	1.1
211.13524	0.7
220.14719	2.9
221.15431	3.6
231.21182	0.9
236.10539	1.8
249.18541	1.1
249.22186	1.4
275.20157	18.4
276.20480	1.6
293.21219	100.0
294.21603	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08417	0.9
58.78215	0.9
59.01369	2.0
65.88336	0.9
69.18929	2.4
69.19346	6.1
76.09633	1.0
118.05570	0.9
121.10236	47.7
122.10586	2.3
123.08157	0.9
125.09685	1.3
127.11260	1.4
132.41614	0.9
141.12794	1.1
145.25458	0.9
171.10263	80.2
172.10600	3.4
177.16408	1.3
183.10222	1.0
183.13893	5.5
185.11832	4.4
211.13405	2.3
221.41634	0.9
231.21130	5.4
235.17020	1.4
239.60533	0.9
275.20148	100.0
276.20526	10.2
293.21222	77.6
294.21609	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83968	0.6
53.48326	0.7
59.01355	0.9
61.57043	0.7
71.05393	1.2
75.10303	0.7
78.72330	0.7
111.08175	0.7
190.83035	0.8
195.13879	11.3
196.14505	1.5
205.16010	0.7
223.13367	9.7
224.13916	1.6
228.13481	1.0
256.13171	4.5
275.20154	8.8
293.21204	100.0
294.21503	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.27019	0.9
59.01371	3.9
69.25369	0.9
70.01109	0.9
71.01377	1.0
71.05016	7.5
71.05540	0.9
80.69396	0.9
83.05011	1.6
87.04514	1.3
101.73407	1.1
101.81303	0.9
157.61354	1.1
173.82579	0.8
180.67191	0.9
191.18115	1.9
209.15434	2.9
209.54959	1.0
221.15317	2.7
223.17036	7.9
231.21184	3.4
235.17018	53.5
236.17393	4.1
275.20157	48.5
275.23257	1.8
276.20490	4.0
293.08896	3.0
293.21210	100.0
294.21539	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
69.42490	2.0
69.42897	5.6
100.79957	1.0
109.06573	2.4
121.10255	1.1
127.07705	1.3
140.70403	1.1
159.14101	1.1
183.12239	1.5
183.13889	29.6
195.13881	11.1
196.14439	1.7
205.12375	1.2
211.13365	8.8
223.13370	7.6
228.13507	1.3
245.50362	1.1
256.13120	1.5
265.21869	1.4
275.20135	15.0
276.20538	1.7
276.68146	1.0
293.21201	100.0
294.21600	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01372	1.6
64.88259	0.7
71.01379	0.8
71.13729	1.8
71.14129	0.6
73.02940	0.9
79.92301	0.8
96.96010	1.1
111.08046	0.7
179.14432	1.6
193.15961	1.3
195.13881	13.5
196.14539	1.6
202.82176	0.8
205.12254	1.2
205.15936	0.9
221.15483	2.9
223.13368	10.2
224.13788	1.0
228.13704	1.2
236.10472	2.2
239.19423	0.7
254.66022	0.9
256.13113	4.9
275.20175	10.1
292.32382	0.8
293.21207	100.0
294.21555	8.2
300.26028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30271	1.4
55.26387	1.3
58.65541	1.3
59.01371	3.8
71.01367	2.8
78.97083	1.3
138.04987	1.3
165.12866	1.6
166.13292	2.3
167.13445	4.2
171.10303	2.0
192.11601	1.8
193.16049	3.4
195.13910	6.7
209.15453	74.7
210.15796	3.3
221.15535	4.0
223.13525	4.7
231.21120	3.2
236.10590	2.8
249.18739	2.4
249.21246	3.4
275.20145	47.1
276.20407	2.4
293.21100	100.0
294.21478	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01369	0.5
70.24034	1.2
71.01369	0.5
77.71538	0.3
78.59286	0.3
96.96010	10.0
98.20586	0.3
108.43943	0.3
112.98575	0.4
119.88821	0.3
136.08934	0.4
171.10413	0.3
193.15962	0.9
196.13161	0.3
205.12146	0.3
208.10709	0.3
210.52293	0.3
220.14664	1.1
221.15552	2.3
236.10466	1.5
249.18755	0.3
275.51596	0.3
278.58096	0.3
293.18063	8.1
293.24863	100.0
294.18295	0.5
294.25198	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	294.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86314	1.5
52.60349	1.1
59.01382	10.4
60.69376	1.3
61.98831	4.7
69.13609	13.2
71.01385	4.1
85.02956	1.4
89.62040	1.1
98.19939	2.4
101.02459	2.2
125.69501	1.1
133.01437	3.3
133.05083	2.4
166.13255	2.5
166.82191	1.4
167.13454	1.9
170.53442	1.3
171.10461	1.2
177.09117	1.5
193.15906	1.5
194.16286	2.3
195.13933	4.2
196.14360	3.4
209.15472	19.4
210.15808	46.4
210.17732	2.7
211.16080	2.3
221.15266	3.0
222.15880	3.8
224.13797	2.6
232.21481	2.0
237.10884	2.2
260.38620	1.4
276.20490	44.2
277.17914	1.5
277.21341	2.1
294.21545	100.0
295.10532	2.2
295.13831	6.9
295.22754	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	294.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28149	0.8
57.03436	3.2
58.03803	0.8
59.01382	4.5
61.98814	1.3
71.05010	2.1
80.57892	0.7
96.73393	0.8
113.09713	5.6
114.10046	4.2
121.10208	5.0
122.10587	5.0
125.09763	0.9
129.18073	0.8
132.70395	0.8
135.50740	0.8
139.11264	0.8
144.03081	0.9
171.10281	12.8
172.10597	9.8
184.10504	0.8
185.11832	1.3
186.12129	1.7
195.13902	1.8
196.14240	2.3
198.12149	0.8
224.13690	0.8
224.17329	1.2
228.92680	0.9
232.21548	1.9
235.17036	1.3
236.17339	9.9
276.20471	34.2
277.21683	6.5
294.21536	100.0
295.22638	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	295.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	1.0
59.01382	4.9
59.85991	1.1
70.02972	1.8
71.01392	2.0
71.04169	1.3
71.04491	2.1
85.02938	1.5
90.03474	1.2
101.02480	1.2
103.47184	1.1
113.00675	1.2
115.00359	3.6
123.99893	1.3
133.01430	6.2
133.05025	2.1
144.04631	1.4
150.00208	2.6
153.00142	2.4
155.01717	1.3
161.04607	1.4
163.01001	2.0
164.01753	3.4
167.01733	1.9
168.01192	2.8
169.01930	1.3
176.01747	1.7
177.05414	1.0
178.03281	2.8
180.01230	39.6
181.01523	1.7
190.03267	1.4
193.02016	3.7
194.02829	8.9
196.04356	25.8
206.02742	1.3
208.04352	23.9
209.04688	1.4
222.07668	1.0
223.03069	6.7
223.05388	2.1
223.07556	1.4
224.03871	11.1
251.04939	100.0
252.05325	7.2
279.07007	1.0
295.06168	2.3
295.10278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
50.05577	0.8
59.01364	1.3
69.61099	2.6
69.61516	1.4
71.01379	11.6
71.66190	0.6
72.99305	3.8
87.00899	0.9
89.02445	1.5
98.19931	1.4
103.01926	0.7
115.00368	39.2
116.00768	0.8
133.01424	100.0
134.01770	1.9
135.04510	10.1
139.33380	0.7
168.80811	0.7
179.03473	10.5
185.03186	0.9
313.33640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12172	0.3
54.70947	0.3
59.01372	2.0
69.17859	1.7
69.18282	1.8
71.01381	13.8
72.99314	3.1
75.44283	0.4
81.30322	0.4
81.92909	0.4
87.00882	0.9
89.02449	2.1
90.93917	0.4
101.02441	0.5
107.05048	0.6
115.00374	43.0
116.00711	0.7
116.14667	0.3
128.89258	0.4
132.48071	0.3
133.01430	100.0
134.01804	1.7
134.03752	1.3
135.04526	13.9
137.02414	0.6
179.03503	11.6
180.03761	0.4
207.10550	0.4
295.10110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01366	1.3
66.17745	0.5
70.85590	0.6
70.85951	0.8
71.01378	13.3
72.99306	3.3
87.00887	0.7
89.02415	2.1
89.35313	0.4
98.19984	0.6
100.94463	0.4
115.00371	40.1
116.00736	0.5
133.01427	100.0
133.27559	0.4
134.01793	1.6
134.03714	0.5
135.04526	12.2
135.05539	0.9
147.91641	0.4
171.39775	0.4
179.03484	9.1
179.04973	0.8
180.03749	0.4
225.60071	0.5
249.81094	0.4
295.09851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0971
Annotation	Calophyllin B
Peak:m/z	Relative Intensity
50.17159	0.7
59.01369	6.9
63.76842	0.7
69.35815	5.3
71.01371	2.3
73.02955	0.6
85.02934	0.8
93.03411	1.1
96.99307	15.2
98.19968	1.6
99.08150	0.9
101.02436	1.5
103.05507	2.3
115.05528	14.2
117.03450	2.3
121.02948	1.0
127.07639	5.6
131.05031	2.1
133.01407	1.7
145.06606	0.8
147.04517	19.5
147.48436	0.7
148.04877	1.0
171.06570	2.5
189.07672	2.2
191.08646	1.3
205.10201	4.9
207.11769	1.5
233.09666	34.4
234.10025	2.3
251.10828	1.2
253.09396	0.8
277.08661	13.3
278.08905	1.0
295.09723	100.0
296.10071	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	295.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04876	0.7
57.03445	1.2
59.01371	7.0
70.67542	1.3
71.01389	2.9
72.10582	0.6
93.03468	1.9
95.95235	2.2
99.08160	12.5
101.02441	0.7
115.00390	1.6
121.02970	1.5
123.04547	1.6
127.07646	100.0
128.07973	2.8
129.05579	10.5
133.01413	3.9
133.05064	1.0
135.04512	1.1
137.02461	0.8
145.08696	19.2
171.06619	38.1
172.06902	1.2
189.07666	35.3
190.08063	2.0
251.12885	0.8
295.04727	0.9
295.11984	14.8
296.12228	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	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.07135	0.6
55.59360	0.6
59.01374	2.0
70.34885	1.0
70.35274	2.1
84.46007	0.5
96.44146	0.8
108.62698	0.6
113.09715	2.2
171.10289	5.4
179.14320	0.8
181.12343	1.1
195.13881	17.1
227.42781	0.6
260.05527	0.6
277.21716	21.4
278.22101	1.9
295.22760	100.0
296.23090	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13461	0.7
57.03434	1.0
59.01378	3.6
69.54790	0.7
71.01366	1.3
75.47166	0.7
83.05029	1.0
84.66068	0.7
100.48507	0.8
102.92152	0.7
113.09703	3.0
115.00359	0.7
133.01381	0.9
139.95807	0.7
155.09909	0.6
177.12967	1.0
179.14482	1.3
183.13867	3.2
188.87419	0.7
195.13902	28.4
196.14311	1.0
277.21713	24.0
278.22009	2.1
293.68076	0.8
295.22760	100.0
296.23102	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	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.7
59.01366	3.1
60.94901	1.0
66.55247	1.0
67.62474	1.0
70.28705	3.7
71.01366	1.7
72.13025	1.0
98.19880	1.0
99.08224	1.3
101.33321	1.0
104.03694	1.0
106.42462	0.9
109.01502	1.0
109.23404	1.0
125.09707	1.7
152.68799	1.0
155.14368	1.8
171.10249	48.0
172.10577	1.3
183.10286	2.9
242.60831	1.1
264.48856	1.2
277.21701	58.7
278.22031	4.8
295.22757	100.0
296.23099	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80267	0.8
57.03433	0.8
59.01381	12.8
71.01372	3.9
83.05016	1.0
85.02952	1.6
89.02460	1.5
96.96007	1.8
98.90093	0.8
98.95592	6.6
98.96442	1.5
101.02467	2.3
113.02440	1.7
113.09738	1.0
115.00353	1.9
117.03510	0.9
124.44215	0.9
133.01430	2.3
133.05067	2.4
135.04585	0.9
171.10272	1.5
179.14404	1.4
195.13914	17.0
196.14343	1.6
253.09334	0.9
264.26868	1.0
277.21704	17.6
295.10245	2.2
295.18008	6.5
295.22784	100.0
296.23041	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	2.6
69.61251	2.6
69.61670	4.3
71.01408	1.1
93.61205	1.3
98.19907	1.6
124.88253	1.1
125.09723	1.1
132.52415	1.3
140.17383	1.0
171.10268	41.3
236.63286	1.0
259.20770	1.1
277.21710	50.6
278.21970	4.3
295.22766	100.0
296.23056	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	2.9
61.51821	0.2
63.72042	0.2
68.12758	0.2
69.67249	1.3
71.01365	0.6
83.05057	0.4
90.62523	0.3
91.45573	0.2
97.06543	0.3
98.20570	0.4
101.02415	0.3
106.69301	0.2
113.09731	3.1
125.11722	0.2
133.01431	0.3
133.05141	0.3
177.12866	0.6
179.14417	1.5
181.12323	0.7
195.13893	20.7
196.14267	1.1
196.21143	0.3
201.19139	0.3
212.58847	0.2
233.22696	0.5
263.71027	0.3
277.21713	17.2
278.22079	1.4
293.20868	0.3
295.22760	100.0
296.23102	7.3
309.31461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2641
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
79.43818	0.6
96.95988	1.9
97.47534	0.6
98.95589	5.8
98.96431	1.0
106.19317	0.6
110.59382	0.7
115.00375	1.3
133.01410	2.4
140.40047	0.8
198.28490	0.6
229.50471	0.9
241.12242	0.7
295.17596	2.9
295.26395	100.0
296.26740	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	297.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03450	1.9
58.00567	1.9
59.01378	84.6
68.89317	1.6
71.01376	47.0
72.99300	8.6
73.02946	7.1
75.00873	35.0
83.01385	6.1
85.02945	14.6
87.00882	7.3
89.02441	54.9
95.01387	3.4
99.00877	4.8
101.02437	32.5
104.02439	1.9
105.01934	51.3
105.54382	1.8
113.02446	19.6
117.01934	6.5
119.03495	21.2
121.02959	5.1
131.03519	3.0
135.03030	3.3
135.06622	10.8
143.03520	3.6
159.02972	1.9
161.04552	10.2
179.05608	11.1
181.05119	4.2
181.54732	1.7
237.06073	12.6
237.09871	2.5
297.08328	100.0
297.11896	18.8
298.08688	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09024	0.6
57.03453	3.5
59.01377	2.0
63.64906	0.8
67.01896	3.2
68.31551	0.7
85.02946	18.3
87.00873	31.1
98.19844	1.4
111.00877	100.0
112.01208	2.1
123.04488	1.2
129.01956	6.7
147.50517	0.7
168.10365	0.8
173.00903	3.3
191.01961	37.0
192.02328	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
52.83746	0.9
55.01868	1.6
57.03441	1.2
58.00595	2.6
59.01382	100.0
67.67545	0.9
71.01385	55.2
71.48275	1.1
72.99304	3.9
73.02953	7.7
75.00883	5.7
81.03448	1.0
83.01416	3.0
85.02955	15.2
87.00885	3.0
89.02448	63.0
95.01379	3.6
97.02943	1.1
99.00877	2.2
101.01801	1.8
101.02445	32.6
105.01936	8.1
113.01725	1.6
113.02459	20.9
117.01910	1.1
119.02666	1.6
119.03506	24.9
119.04890	1.2
121.02940	7.5
131.03510	3.4
135.02997	1.5
135.06648	23.9
142.74522	1.0
143.03500	5.2
149.04489	1.9
161.04573	14.5
162.04788	1.2
179.05606	16.5
181.05013	4.4
181.06503	1.0
237.06192	1.2
237.09956	2.2
297.08258	14.9
297.11850	35.9
298.12378	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01880	1.2
55.71735	1.0
58.00588	1.9
59.01377	100.0
63.00099	1.0
70.87885	1.8
70.88226	1.3
71.01379	49.4
72.99331	1.4
73.02964	5.7
83.01377	2.3
85.02954	11.3
87.00856	1.3
89.02445	55.1
95.01392	3.9
99.00867	1.3
101.02440	31.0
113.02451	20.3
119.03497	24.1
128.84039	1.0
131.03470	2.1
135.06639	17.2
143.03508	4.0
149.04532	2.1
157.66211	1.0
161.04533	12.7
179.05611	14.7
214.12746	0.9
237.09795	5.1
250.71147	0.9
297.11890	36.1
298.12061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.66394	0.6
52.94468	0.6
54.11266	0.5
59.01119	0.8
59.01379	13.0
61.50351	0.6
66.93559	0.6
71.01389	6.8
73.02945	1.2
83.01385	0.9
83.05018	0.7
85.02946	1.2
89.02447	6.7
98.19859	1.5
101.02439	4.0
113.02431	2.2
118.32790	0.6
119.03497	3.2
119.05065	0.6
135.04510	0.9
135.06622	2.6
137.70285	0.6
141.12840	1.5
143.78328	0.7
146.54318	0.7
155.10793	11.9
161.04573	1.8
170.81416	0.6
171.10297	0.6
179.05591	1.0
183.01207	38.3
184.01840	2.9
197.02811	1.4
216.00969	2.0
229.11256	0.9
237.09717	1.3
257.14667	0.7
279.23285	11.9
280.23541	1.1
282.05261	0.7
297.12085	3.7
297.15271	69.4
297.24326	100.0
297.91315	0.6
298.15631	6.2
298.24625	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	297.2797
Annotation	Pristanic acid
Peak:m/z	Relative Intensity
53.17537	0.3
54.75518	0.3
59.01367	0.8
59.70143	0.3
65.08687	0.4
71.01326	0.4
74.13754	0.3
79.95741	0.3
98.19917	1.1
108.85398	0.3
115.66486	0.3
134.49586	0.4
144.75714	0.4
182.99550	0.4
183.01196	8.6
184.01703	0.7
195.99463	0.3
207.42857	0.4
288.44287	0.3
297.15259	14.9
297.27960	100.0
298.15475	1.7
298.28299	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	299.0198
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.99321	0.5
59.01371	0.8
62.84565	0.4
63.02396	4.7
65.00336	2.5
69.40479	2.7
69.40899	1.1
81.31269	0.5
83.01385	1.0
89.00348	0.5
107.01418	2.9
109.02968	4.4
115.05541	1.1
119.01373	0.7
131.05048	0.9
133.02968	8.6
135.00880	1.4
138.05621	2.1
143.05014	3.3
145.02968	1.4
147.04521	1.2
151.00389	2.3
155.05000	1.4
157.02940	2.3
159.04518	0.9
161.02405	1.0
169.03014	0.8
171.04556	6.5
173.02486	2.2
175.04033	3.8
183.04536	0.7
187.04008	3.9
189.05725	0.5
197.02457	2.1
198.03172	2.3
199.04025	14.3
200.04419	0.6
201.01935	4.8
203.03520	1.3
211.03935	0.5
214.02690	0.9
215.03523	5.1
223.57576	0.5
225.01932	0.8
226.02701	2.7
227.03500	6.6
228.03735	0.6
241.01341	0.6
242.02263	2.1
243.03035	5.8
271.02472	76.2
272.02878	5.0
282.01718	1.5
299.01965	100.0
300.02252	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	299.0923
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.95472	0.4
59.01371	0.9
65.89425	0.3
69.32140	1.7
69.32567	1.1
69.51155	0.4
83.05022	0.9
86.49688	0.4
89.02425	0.6
90.04417	0.3
97.61682	0.3
111.04511	0.6
121.02966	0.5
128.06259	0.4
129.05554	0.5
138.05576	2.2
153.41196	0.4
187.13254	0.4
197.06064	53.9
198.06419	4.0
225.05550	100.0
226.05876	5.7
228.25769	0.4
240.07904	58.3
241.05197	1.8
241.08212	4.1
255.06706	0.7
255.10208	1.6
269.04538	0.9
271.02460	0.6
284.06885	38.9
285.07260	3.2
299.09213	93.0
300.09555	7.0
308.07022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42422	0.5
59.01187	0.6
59.01460	1.8
62.56524	0.6
64.92885	0.5
70.28060	0.9
70.28442	0.9
79.95815	0.6
83.01472	0.5
89.02541	0.6
107.01481	0.7
109.03021	0.7
119.05135	0.7
133.03070	1.8
137.06126	0.6
138.05614	5.1
158.03795	1.1
160.03737	0.5
161.02458	0.8
161.26398	0.7
171.04605	1.5
175.04201	0.6
197.06087	0.7
198.03209	12.1
199.03996	2.4
201.01913	0.9
211.04001	0.9
213.05640	1.5
215.03532	0.9
218.46782	0.6
225.11476	0.6
226.02696	64.4
227.03165	5.1
230.02159	4.3
239.03539	1.3
240.04166	2.9
241.05037	41.9
242.05327	3.5
243.03018	0.7
252.68840	0.6
254.02180	20.2
255.02769	2.1
255.06612	2.5
256.03662	0.7
267.02927	0.7
268.03705	0.9
269.04526	100.0
270.04880	6.4
271.02478	12.6
271.05258	0.5
272.02954	1.1
283.06180	2.2
284.06866	55.7
285.02960	0.9
285.07101	4.2
299.02087	13.2
299.05661	2.8
299.09177	44.3
300.02328	1.3
300.05127	2.9
300.09225	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	299.1134
Annotation	Salidroside
Peak:m/z	Relative Intensity
53.28321	0.9
57.03428	1.1
58.00575	3.1
58.02959	3.0
59.01377	100.0
60.01712	1.3
65.24309	0.9
71.01379	52.6
72.99309	2.5
73.02947	1.1
74.02502	0.8
75.86127	0.8
77.93378	1.0
83.01378	2.6
85.02938	9.1
87.00890	2.1
88.04040	5.9
89.02440	75.2
90.02771	1.5
95.01382	4.2
101.02432	27.6
103.74554	1.1
107.05029	1.2
113.02441	20.0
114.15604	1.0
119.03500	23.8
119.04999	17.2
131.03474	1.9
133.27554	1.0
138.05579	4.5
143.03487	2.8
149.04588	1.4
152.07176	2.3
161.04520	3.1
163.97537	0.9
179.05606	2.5
214.15520	1.2
223.68575	1.0
237.86678	0.9
299.11423	2.6
300.15668	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	299.1133
Annotation	Salidroside
Peak:m/z	Relative Intensity
51.53778	1.1
57.03434	1.1
58.00594	4.6
59.01376	100.0
68.01407	1.9
69.44762	8.1
71.01376	59.2
72.99315	3.9
73.02934	1.8
83.01392	1.5
83.06499	1.0
85.02950	9.1
87.00892	2.1
89.02438	76.9
89.67177	1.0
90.02732	1.2
95.01383	4.6
95.77393	1.1
101.02439	31.1
105.80683	1.1
107.05020	1.9
111.34303	1.1
112.39777	1.1
113.02445	25.9
119.03501	31.1
119.05000	15.7
123.03235	4.6
131.03505	1.8
137.06046	5.5
138.05603	55.8
143.03481	2.2
149.04613	1.7
152.07176	2.1
161.04530	1.9
179.05597	4.4
180.06654	2.6
189.10199	1.3
206.17064	1.0
213.70630	1.1
281.15222	1.1
290.73511	1.3
299.11414	8.1
300.10840	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2586
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.33684	0.6
56.23133	0.6
59.01375	1.7
71.50618	0.8
81.65336	0.8
82.73669	0.7
84.18394	0.6
93.81136	0.7
125.09785	1.2
138.05585	5.5
141.12819	2.2
185.00807	1.1
201.14932	0.7
225.05571	0.9
242.99730	0.8
253.25232	1.3
269.04462	0.8
281.24838	1.8
297.24271	1.1
299.01822	1.6
299.05338	1.2
299.09253	1.1
299.15247	3.4
299.20468	20.5
299.25870	100.0
300.11111	0.9
300.15729	1.1
300.20529	1.7
300.26215	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	300.0876
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
54.14716	0.8
59.01370	1.1
60.91239	0.7
65.00327	1.1
69.89428	1.9
69.89845	2.1
98.20007	1.1
105.75176	0.8
107.01405	1.2
110.58956	0.9
123.03221	1.4
134.24948	0.9
138.03232	1.1
138.05614	16.9
151.00305	2.1
152.01186	0.8
164.05133	0.9
183.04478	1.1
184.05307	0.9
190.09431	0.8
194.06084	11.1
195.04489	2.3
195.06291	1.2
197.06117	1.1
209.06073	4.6
210.06871	6.2
211.04008	1.2
222.03210	4.4
222.05632	2.6
223.04085	1.6
223.06203	1.7
225.05525	1.1
236.04782	1.1
237.05557	6.9
238.06622	6.3
240.04253	3.2
240.06496	1.2
241.04955	1.5
242.04608	4.9
245.04523	1.6
249.04396	1.4
250.05035	2.3
251.05878	1.7
252.02936	5.7
253.03757	4.3
254.04620	3.9
266.04633	4.8
267.05341	2.6
268.06174	30.5
269.06357	2.3
273.04068	1.9
285.06430	50.4
286.06757	3.4
300.08746	100.0
300.15744	5.2
301.00095	1.9
301.03525	1.4
301.09076	8.0
305.58896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0873
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
53.85028	0.6
56.03082	0.6
65.00314	1.2
70.65108	1.8
80.67086	0.7
86.98557	0.6
93.62441	0.6
95.61243	0.6
123.00899	0.8
130.44272	0.5
138.05605	12.5
151.00328	1.0
179.03722	0.9
185.02432	0.7
194.06274	0.6
195.04396	0.9
196.03978	1.0
197.02495	1.2
197.04790	1.1
198.03239	1.8
207.03273	2.5
208.03983	4.3
211.03966	0.8
212.04973	2.9
213.01881	0.9
213.05457	1.0
214.08640	0.9
220.03964	2.2
222.03255	1.5
222.05518	1.7
223.04048	1.4
223.05908	0.7
224.03462	3.8
225.04301	6.5
226.01462	2.2
235.02725	0.9
236.03481	4.1
237.05624	10.3
238.04997	5.2
239.05878	0.8
240.04216	1.8
240.06552	0.9
242.04576	1.1
245.04416	1.0
249.04230	2.2
249.06688	0.7
250.04999	4.4
251.05884	2.2
252.03009	8.0
253.03738	9.1
254.04538	4.0
255.06569	2.5
267.05392	3.5
268.06128	37.6
269.06454	2.5
270.03983	0.8
273.04059	1.5
282.03967	0.8
285.06412	45.6
286.06696	3.6
300.08740	100.0
300.15973	2.1
301.00070	1.5
301.08966	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	300.0878
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
60.33396	0.7
62.21312	0.6
71.51072	0.9
123.00870	1.1
138.05611	7.9
151.00291	1.0
152.01123	0.7
172.25400	0.6
182.21753	0.6
184.05290	1.6
185.00732	1.3
186.01123	1.0
196.05179	0.7
212.04793	3.5
214.08867	0.7
242.04582	98.4
243.04915	6.3
245.04530	1.0
255.06555	1.0
270.04065	41.3
271.04443	2.2
273.04028	0.8
278.37860	0.6
285.06424	100.0
286.06744	7.2
300.08749	69.1
300.15649	4.9
300.25916	0.7
300.99890	2.2
301.03165	0.8
301.08969	4.4
321.22427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0876
Annotation	Natsucitrine-II
Peak:m/z	Relative Intensity
63.25380	0.7
71.05617	1.6
88.95720	0.6
95.10849	0.6
123.00810	0.8
130.75905	0.7
132.67360	0.7
132.89581	0.7
138.05600	2.7
144.18787	0.7
147.86040	0.7
169.02904	0.6
171.04732	0.8
180.04572	2.3
184.04016	1.6
196.03976	4.0
197.02448	2.5
197.04851	1.4
198.03159	2.0
208.04024	5.9
209.04805	1.0
211.03929	1.5
212.04771	1.3
222.03183	3.0
223.02649	2.0
224.03499	15.0
225.04291	8.6
226.02647	1.1
226.04865	0.8
236.03519	1.5
237.05608	1.2
238.05029	1.5
238.23590	0.7
239.05815	10.9
240.04161	1.8
240.06590	5.2
241.03635	1.0
242.04572	35.5
243.04944	2.2
252.02945	5.8
253.03783	3.6
255.06668	1.1
256.06168	2.7
259.12863	0.7
267.05347	2.8
268.06116	19.0
269.06430	1.1
270.01117	1.3
270.04034	22.0
284.05508	1.5
285.06400	100.0
286.06696	7.5
300.08737	84.2
301.09048	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	0.5
59.01372	2.4
59.89656	0.2
68.01410	2.7
68.03366	0.2
69.69975	1.2
69.70389	0.5
69.73758	0.3
71.01373	0.5
76.10545	0.3
94.06608	0.4
94.23219	0.2
95.05008	0.4
96.04547	0.4
98.19906	0.3
109.01679	0.4
110.06097	0.3
122.02494	0.7
123.03264	6.1
124.04003	0.4
124.07677	0.9
125.06103	0.3
128.99841	0.2
136.07687	0.4
136.10178	0.3
137.04805	1.0
138.05606	100.0
139.05971	2.6
150.05641	0.3
152.03546	0.5
152.07155	1.7
166.08766	0.3
167.05861	2.4
168.06631	0.9
180.05205	0.5
180.06662	5.3
189.82880	0.3
210.07767	0.4
218.43811	0.2
240.08711	0.4
285.72018	0.3
300.10876	12.8
300.19241	0.5
301.11002	0.6
310.74292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36771	0.2
59.01366	1.0
60.77785	0.2
63.30283	0.2
63.66328	0.2
68.01407	0.5
69.42001	0.2
71.01360	0.4
71.26655	0.4
93.03446	0.4
102.90301	0.2
108.47517	0.3
122.02487	0.6
122.06053	0.3
123.03268	10.7
124.03584	0.2
127.05088	0.3
129.10332	0.4
135.41631	0.3
136.07611	0.3
137.02461	0.6
137.04814	0.6
138.05600	100.0
139.05954	2.6
145.06224	0.4
152.03409	0.3
152.07129	0.7
165.04315	0.5
167.05876	0.5
180.06671	2.0
190.75487	0.3
196.14594	0.4
243.44218	0.2
275.91156	0.2
300.07788	0.5
300.10870	5.4
300.15845	0.6
301.11282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
66.69059	0.2
68.01406	0.6
83.51072	0.2
93.03432	0.4
98.20664	0.5
122.02481	0.4
122.06159	0.3
123.03261	11.2
124.03585	0.3
127.05137	0.3
129.10304	0.3
137.02386	0.3
137.04813	1.2
138.05602	100.0
139.05949	3.3
145.06081	0.3
152.07195	0.6
159.61159	0.2
165.04311	0.4
167.05795	0.5
180.06656	1.9
196.14569	0.3
214.15489	0.2
300.10886	5.1
300.15829	0.5
301.11343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.035
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
51.15005	1.5
51.26085	1.5
57.02497	1.4
59.01373	32.2
59.43334	1.4
62.19036	1.3
63.02392	8.2
65.00320	31.1
81.99803	1.8
83.01385	19.8
93.03450	51.8
95.01373	6.5
98.19910	3.2
107.01379	37.3
109.02946	2.5
113.16364	1.9
117.03447	9.0
119.05048	3.3
121.02929	2.6
121.66158	1.4
123.00838	4.9
124.01624	8.3
125.02437	17.1
135.00887	5.9
135.04520	8.4
137.02393	5.7
137.22771	1.8
138.05527	2.4
139.06029	2.5
143.05042	4.0
145.02934	5.9
149.06046	3.1
151.00354	98.4
152.01144	25.4
153.01927	7.5
158.03679	2.0
159.04523	7.5
161.02481	10.9
161.06104	2.8
163.00371	24.4
164.00989	2.7
169.01364	2.3
171.04495	2.3
177.05586	1.9
178.99843	32.3
182.07339	3.5
185.06110	3.1
187.03992	4.5
189.05641	1.9
191.03539	3.4
197.09720	27.5
198.10225	1.9
201.05551	7.4
206.99333	29.2
208.00136	19.9
211.03998	2.9
211.11293	3.9
213.05586	3.1
213.12805	6.2
215.03555	7.8
229.04842	10.0
245.04515	72.6
245.11800	2.0
246.04875	5.0
255.02888	2.2
257.04480	15.6
257.11795	5.1
271.06137	5.0
273.04025	100.0
274.04373	5.5
281.11862	1.9
283.02380	3.3
286.08237	2.1
301.03503	23.2
301.10800	12.6
302.03848	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
51.41613	1.1
57.03440	3.1
58.94536	1.0
59.01380	2.0
62.24714	1.1
63.02404	10.9
65.00323	32.7
68.99849	1.6
74.54795	1.2
78.86575	1.1
78.89229	1.1
79.09866	1.2
83.01379	21.3
91.26692	1.2
92.99817	2.0
93.03454	49.6
95.01382	9.1
107.01386	40.9
108.02196	1.2
109.02956	3.5
111.00881	1.4
117.03472	10.7
119.05031	1.2
121.02955	1.8
121.12156	1.1
123.00838	5.6
124.01665	9.3
125.02449	15.7
135.00877	5.3
135.04532	9.9
136.01627	1.3
137.02428	5.3
138.03232	1.8
138.05566	1.1
139.00352	1.8
139.03999	1.4
141.03445	2.0
143.05003	3.4
145.02963	6.2
145.06631	1.2
147.04503	1.6
151.00363	97.5
152.01152	27.9
153.01950	9.0
158.03748	1.4
159.04530	8.4
161.02420	11.3
161.06071	2.2
163.00357	16.2
163.03976	2.4
164.01016	1.9
169.01433	2.6
171.04576	2.1
173.06006	1.6
178.99854	31.5
179.32758	1.1
181.01640	1.2
183.04494	2.4
183.13893	2.5
185.06061	2.7
187.03944	5.0
189.05612	2.5
191.03502	4.1
201.05554	8.4
206.99341	31.6
208.00095	19.0
211.03857	1.7
213.05603	2.7
215.03496	8.1
229.05087	11.2
229.08826	1.8
233.04593	1.5
245.04517	77.6
246.04816	4.3
255.02928	3.8
257.04556	13.9
258.05054	1.4
271.06165	2.8
273.04028	100.0
274.04327	7.6
283.02414	6.5
286.04742	3.4
286.08249	2.3
301.00128	2.5
301.03488	23.0
301.07144	6.6
301.10498	2.2
301.21701	2.5
302.03659	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50234	1.4
57.03444	2.1
58.27184	1.2
59.01381	20.5
59.17953	1.3
63.02396	8.9
65.00321	28.5
67.54140	1.5
68.99788	1.3
69.33192	1.3
69.85533	1.2
71.50452	1.6
71.78882	1.4
83.01382	20.4
93.03455	46.7
93.04034	2.9
95.01386	6.3
95.74331	1.3
107.01396	36.7
109.02976	4.0
109.34575	1.2
117.03455	6.8
119.01392	1.4
119.05020	1.8
121.02950	3.4
123.00864	3.6
124.01659	9.8
125.02454	19.7
135.00871	6.1
135.04520	7.3
137.02435	3.3
138.05573	1.7
139.00397	1.7
139.05887	1.8
143.04997	2.0
145.02948	5.3
147.04546	1.6
151.00362	99.9
152.01164	32.5
153.01976	7.8
157.06581	2.0
159.04530	8.8
161.02414	10.0
161.06036	3.6
163.00359	19.1
164.01158	2.2
169.06697	1.8
171.04501	2.1
177.05539	1.7
177.91925	1.6
178.99861	32.0
179.01364	2.6
180.00356	1.3
182.07263	1.8
183.04500	1.8
185.06068	3.8
187.03972	7.0
189.05521	2.2
191.03506	4.2
197.09721	16.1
201.05576	10.1
206.99347	25.4
208.00113	18.6
211.04008	2.4
211.11252	1.9
213.05608	2.7
213.12883	2.9
215.03542	8.7
229.05009	10.8
245.04529	76.4
246.04866	2.6
255.02904	2.7
257.04562	14.6
272.02924	2.4
273.04037	100.0
274.04321	5.3
283.02490	2.4
301.03522	40.2
301.10764	5.5
302.03864	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42117	0.3
53.91742	0.3
59.01378	8.9
63.02393	8.4
63.53205	0.3
64.53588	0.3
65.00323	15.2
69.06855	0.3
69.17694	3.2
83.01388	9.5
93.03453	5.0
95.01395	0.5
106.06618	0.5
107.01386	24.4
108.01692	0.6
108.04544	1.8
109.02955	2.9
111.00867	0.4
117.03455	0.3
120.02271	0.3
121.02953	20.2
122.03283	0.7
123.00889	0.4
124.01578	0.5
124.07689	0.8
125.02447	0.8
129.05547	0.3
130.08723	1.3
133.02953	0.4
135.04518	0.3
136.07680	4.6
137.08023	0.3
139.04004	1.7
145.02995	0.4
149.02438	3.3
149.06059	0.9
150.05585	0.6
151.00362	71.2
152.00665	1.7
159.04512	1.0
161.02435	1.2
161.05984	0.4
163.00371	1.2
163.03983	0.9
164.01100	1.7
165.07944	1.3
167.05019	0.4
169.01424	2.0
171.04521	0.6
175.03967	0.9
178.99854	25.4
180.00133	0.7
182.07329	1.3
183.04482	0.8
187.04013	1.4
189.01862	0.4
192.00659	0.3
193.01416	1.6
197.09726	8.5
199.03998	0.4
201.05582	1.2
203.03400	0.5
205.05080	0.9
211.03951	1.1
211.11336	0.8
211.13275	0.3
213.12718	0.4
219.63354	0.3
224.13019	0.4
227.03494	1.4
227.10751	0.5
229.05057	1.9
230.02063	0.3
231.03137	0.4
239.03500	0.5
243.02962	0.6
245.04535	1.7
245.11775	0.7
255.02992	1.1
257.04404	0.9
257.12952	9.6
260.18683	0.4
266.13892	1.1
273.04025	3.9
284.15332	0.4
299.01920	0.5
301.03506	100.0
302.03821	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	301.0927
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01377	1.1
70.97987	0.9
71.01379	4.3
73.02930	1.6
74.02482	0.8
83.01350	0.5
85.02946	1.7
93.03439	0.8
95.01385	6.2
101.02453	2.6
109.02945	1.0
113.02456	2.4
121.02963	1.9
122.03773	0.7
123.00877	100.0
124.01608	4.5
124.10846	0.5
125.02427	1.0
135.04485	0.7
136.01691	0.6
137.02429	2.6
138.03221	60.5
139.04028	17.8
140.04422	0.7
143.24800	0.4
149.02420	2.2
151.04007	1.6
159.03027	0.5
161.04532	3.1
163.04018	1.3
165.05554	1.0
166.02660	2.4
178.02686	1.1
181.05063	7.8
186.12517	0.7
188.66769	0.4
190.07193	0.4
193.05011	2.6
247.28650	0.4
301.09259	4.4
304.70966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0927
Annotation	Tachioside
Peak:m/z	Relative Intensity
59.01376	1.2
69.15951	0.5
70.25999	1.7
71.01379	1.5
72.99285	1.0
73.02964	0.8
74.02447	0.5
75.33846	0.4
91.65267	0.5
93.03452	7.4
95.01348	1.1
101.02423	0.7
107.05009	1.9
119.04998	2.5
121.02948	11.9
121.03770	0.9
123.00878	20.5
124.01650	1.3
135.04517	5.4
137.02449	1.2
138.02132	0.6
138.03226	14.9
139.04005	100.0
140.04346	4.3
149.02394	0.6
156.70753	0.5
163.03961	5.7
165.01912	0.6
165.05571	6.0
178.02679	0.6
181.03458	0.9
181.05058	15.2
193.05092	1.3
283.08252	2.0
301.09253	10.2
307.23215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
64.31961	0.7
65.00318	0.9
65.88797	0.9
69.88961	0.9
69.97280	1.6
69.97672	2.5
71.01389	1.8
73.04076	2.0
83.05002	1.1
88.04046	3.4
89.02470	1.2
93.03460	1.6
95.01376	1.2
101.02455	2.5
107.05032	2.8
112.04063	1.3
115.00401	1.2
116.07166	5.4
119.05006	4.4
123.00886	7.4
124.01647	0.9
124.04054	1.2
125.02417	0.9
127.05118	1.5
127.29134	0.8
129.10352	2.6
130.06624	1.4
130.08742	8.3
135.04538	1.9
137.02448	2.0
138.03275	4.9
138.05634	11.2
139.00420	1.1
139.04074	5.7
139.05949	9.3
140.07179	100.0
143.11917	1.1
147.04442	1.1
151.00394	1.1
157.13463	1.1
171.15019	1.4
181.05054	3.5
184.06149	4.9
185.50815	1.0
214.15576	1.2
227.03610	0.9
228.16992	1.0
239.10378	1.2
253.28174	1.0
258.14471	5.6
267.09845	2.3
273.04086	1.4
283.08112	1.2
301.00110	1.0
301.04288	0.9
301.10635	2.6
301.21735	3.3
302.17212	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01705	0.9
60.79405	0.3
60.80287	0.4
62.77536	0.3
63.02396	2.1
65.00323	4.3
70.65897	0.3
71.01388	0.4
80.05056	0.5
83.01381	2.9
88.42787	0.3
93.03454	5.2
96.08213	0.3
106.06631	1.2
107.01385	6.8
108.02174	0.7
108.04557	5.3
109.02935	0.8
119.04984	0.5
121.02953	6.5
121.05321	0.5
122.02486	0.4
123.00890	0.9
124.07667	2.0
125.02391	0.4
129.05577	1.6
130.08727	7.8
133.03011	0.4
135.04547	0.8
136.07671	11.5
138.03226	0.5
138.05635	0.6
139.03992	0.8
139.05943	0.4
147.04544	0.7
149.02486	1.0
149.06062	8.2
151.00359	18.9
152.00763	0.4
152.07199	1.2
159.04388	0.3
161.02475	0.8
161.06055	1.0
163.00381	0.5
163.04007	0.5
164.01118	0.4
165.07941	6.5
169.01367	0.5
169.06548	0.9
172.09785	1.5
178.99857	6.0
179.03467	0.4
182.07350	12.8
183.07941	1.3
195.08145	4.1
196.08904	2.1
197.09705	76.4
198.07025	0.6
198.10065	5.5
199.11232	0.5
201.05382	0.4
209.09790	0.4
210.03250	0.5
211.03859	0.4
211.11301	10.9
211.13354	1.8
212.11877	1.4
213.12788	2.4
214.06360	0.8
222.14928	1.7
224.12910	1.4
225.09059	0.5
227.10768	4.5
228.08138	0.3
228.11009	0.4
229.05151	0.8
229.44217	0.4
239.11839	0.5
241.08884	0.5
243.10281	0.5
245.04553	0.8
245.11784	4.5
246.12032	0.4
257.13010	19.0
258.13205	1.4
266.13965	7.1
273.03909	1.3
284.15091	2.1
301.03522	22.5
301.10767	19.1
301.21695	0.6
302.03860	1.3
302.11154	1.2
302.15894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50013	0.3
59.01378	100.0
60.01720	0.6
62.63842	0.3
63.02393	3.0
65.00316	4.9
69.07644	0.3
69.08019	0.3
70.81566	0.7
71.01400	0.6
80.05064	0.5
81.03475	0.4
83.01385	3.5
93.03452	5.9
95.01421	0.3
106.06641	0.8
107.01393	8.6
108.02223	0.9
108.04556	5.6
109.02960	1.4
119.05044	0.6
120.83752	0.3
121.02950	7.8
121.05315	0.8
122.03383	0.4
122.06159	0.4
123.00888	0.9
124.01770	0.4
124.07681	2.6
125.02460	0.7
129.05568	2.2
130.08734	7.8
133.02962	0.8
135.04541	1.2
136.07677	11.1
137.02444	0.5
138.05591	0.4
139.03979	0.7
147.04489	0.5
149.02425	1.6
149.06062	8.8
150.05553	0.5
151.00360	24.7
152.00745	0.7
152.07199	1.2
161.02438	0.5
161.06065	0.9
163.00433	0.4
163.04013	0.5
164.01178	0.5
165.07935	7.1
169.01413	1.0
169.06639	0.6
172.09767	1.6
178.99855	7.6
179.03499	1.1
182.03911	0.5
182.07358	12.9
183.04630	0.3
183.07945	1.0
185.06099	0.4
187.04015	0.4
195.08112	4.2
196.08984	2.0
197.09705	78.8
198.06975	0.6
198.10042	4.5
198.14996	0.5
199.11307	0.5
200.04692	0.4
209.09804	0.4
210.03282	0.5
211.03911	0.4
211.09210	0.5
211.11288	11.4
211.13371	1.7
212.11861	1.6
213.12820	3.0
222.14993	2.2
224.12915	1.4
225.09251	0.5
227.10747	5.4
229.05106	0.9
230.05841	0.6
239.11810	0.3
243.10202	0.4
245.04523	1.2
245.11774	6.1
255.02895	0.6
257.04575	0.7
257.12991	24.6
258.13269	1.2
266.13947	8.0
271.06073	0.4
273.04034	2.0
283.02417	0.5
284.15012	2.0
301.03525	32.0
301.10751	19.8
301.21667	0.9
302.03949	2.6
302.11118	1.6
316.62204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97503	0.8
69.80211	1.2
74.99068	0.8
91.32798	0.3
98.20026	0.4
104.80001	0.2
118.96235	1.8
134.99396	6.7
136.97328	2.2
143.05363	2.6
150.98866	0.5
159.08475	1.8
159.09569	0.3
161.06393	5.7
170.88058	0.3
172.30551	0.2
201.04005	0.6
203.05629	4.2
205.03484	1.5
215.05666	1.3
217.07187	90.9
218.07323	5.8
261.06134	0.4
283.11896	0.8
285.13449	36.5
286.13660	3.5
301.16577	100.0
302.16763	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	302.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92199	0.1
59.01376	0.6
63.77809	0.1
71.01383	0.4
71.49909	0.2
73.02943	0.1
81.25208	0.1
85.02927	0.1
97.02895	0.1
100.64138	0.1
101.02450	0.2
110.02467	0.1
111.04588	0.1
124.04072	0.1
140.07179	100.0
141.07532	3.0
153.04367	0.1
161.04648	0.1
182.08278	0.1
223.07741	0.6
240.42810	0.1
241.08737	0.2
243.12415	0.1
284.09335	0.2
285.07751	0.2
302.10229	0.6
302.13385	0.2
302.16342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03039	0.7
59.01378	100.0
66.72760	0.8
71.01379	7.1
71.50178	0.7
71.50536	1.0
72.99300	0.8
73.02934	2.3
83.01361	1.2
85.02948	4.4
85.78713	0.7
89.02443	1.0
99.00874	1.5
101.02439	6.1
105.52571	0.8
113.02428	2.5
124.07648	0.8
136.07693	3.9
137.06067	1.9
139.45717	0.8
161.04539	2.7
189.07709	1.2
216.13821	1.3
231.11327	1.1
243.11374	1.3
259.14471	6.0
261.13416	11.8
303.09219	1.0
303.13327	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	303.1601
Annotation	Rubaferin
Peak:m/z	Relative Intensity
52.37619	0.7
59.01376	1.9
59.56172	0.9
62.56128	0.7
69.90498	3.8
73.30748	0.8
74.76871	0.7
79.47093	0.8
93.03465	2.7
97.06601	2.9
109.02924	1.4
118.66077	0.8
121.02951	27.8
122.03733	1.7
123.04533	1.8
139.11572	0.8
153.12843	32.7
154.13197	1.6
163.11282	1.4
167.83708	0.9
169.12338	1.2
177.81621	0.9
181.12329	100.0
182.12659	4.0
203.89514	0.9
204.39143	0.9
220.51256	0.9
223.00972	1.0
231.17827	1.0
236.57039	1.1
255.21336	0.8
273.75702	0.9
302.13333	0.8
303.10428	1.0
303.16016	24.5
303.19458	2.4
304.16272	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	304.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49297	12.0
58.65070	12.0
59.01373	26.8
61.71816	14.5
67.42435	12.5
69.31293	100.0
137.02390	16.9
143.14568	12.9
148.04823	12.9
228.05161	14.3
243.17549	23.3
263.53506	12.5
269.12717	15.0
287.16644	18.0
305.17599	45.9
324.33649	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	44.7
59.03307	0.5
59.57406	0.4
65.17528	0.3
69.15575	1.3
69.16005	2.5
83.34116	0.4
85.68402	0.3
88.61832	0.4
97.94086	0.4
168.13925	100.0
169.14279	6.0
212.12840	2.0
241.09692	0.5
304.19235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69164	0.7
57.03450	3.5
59.01377	1.3
61.59250	0.6
69.41403	5.3
71.01367	1.0
77.56935	0.7
85.02938	1.3
87.04517	15.0
90.55789	0.8
91.46123	0.7
99.08156	7.6
115.04014	0.7
118.56610	0.6
127.07659	9.3
129.05589	30.7
131.03561	0.8
133.05069	100.0
134.05399	2.4
145.08720	1.2
167.76193	0.8
171.06624	2.1
187.09726	1.0
189.07684	39.3
190.08125	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	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.7
59.01381	7.3
69.13811	7.0
71.01356	0.8
71.66241	0.6
72.73827	0.6
85.02956	1.4
87.04517	13.7
99.08165	12.6
115.04054	0.8
123.91399	0.7
127.07661	15.1
129.05585	52.6
130.05884	1.2
132.86845	0.7
133.05069	100.0
134.05414	2.1
136.53548	0.7
143.07124	0.8
145.08702	1.9
171.06621	2.9
189.07684	56.9
190.08035	1.9
215.47298	0.8
305.12473	5.9
306.12955	0.8
322.58417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.4
59.01377	4.4
66.66682	0.8
71.10871	1.9
72.00900	3.9
91.05529	18.7
103.05553	2.2
112.07668	2.4
115.08768	85.6
115.87780	0.8
116.09139	1.6
117.17881	0.8
118.06617	4.0
135.04509	0.8
139.04216	0.8
139.08789	6.0
140.07158	6.9
141.10399	1.4
142.08725	1.1
147.04515	28.8
148.04756	1.2
157.09814	64.0
158.10141	1.9
164.07156	69.9
165.07533	1.6
169.09851	1.1
202.12430	1.1
217.13522	1.0
219.15005	49.4
220.15282	2.8
244.13460	0.9
261.16003	6.2
262.95215	0.8
263.14038	3.0
305.15045	100.0
306.15359	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	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01366	3.2
69.03449	1.7
69.53241	2.8
69.53645	2.4
71.01387	0.9
71.05016	39.6
80.02686	1.0
81.03452	3.9
83.05012	2.1
93.03468	3.2
95.05017	19.6
96.90826	0.9
98.20633	1.2
101.67981	0.9
106.04246	1.5
107.05011	2.5
109.06583	16.3
111.04491	3.0
119.05051	1.7
121.06584	5.3
122.03734	1.7
123.08178	1.4
127.07615	2.4
132.05804	0.9
135.08167	2.6
147.04538	2.9
147.08153	3.1
149.09697	1.3
150.06830	1.3
161.06052	3.2
161.09727	1.3
164.08382	1.7
165.09174	13.2
179.14310	1.3
189.12833	15.0
190.13132	1.0
205.15952	10.7
231.13873	3.5
233.11784	7.7
243.17438	8.9
245.15488	1.2
249.14944	10.6
261.18597	2.0
263.16513	1.4
269.15494	2.3
287.16504	78.2
288.16803	5.7
305.17557	100.0
306.17935	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96247	2.4
59.01367	7.8
70.51991	5.3
71.05018	38.5
80.02642	3.7
81.03456	4.0
83.04997	2.9
83.26944	2.0
93.03441	6.0
95.05014	16.8
95.11817	2.2
109.06603	15.4
110.72386	2.3
111.04521	4.0
117.07107	6.7
119.05067	2.4
121.06598	5.6
121.44306	1.8
125.09748	5.0
135.08159	5.3
135.49692	2.3
137.02422	2.4
147.04547	2.8
147.08116	2.9
150.06854	2.3
161.06073	3.8
164.77866	2.2
165.09248	13.1
168.13913	3.6
169.14365	2.3
180.90532	2.3
189.12895	13.0
205.16020	9.9
209.11787	2.3
231.13730	3.3
233.11824	7.6
243.17545	8.5
249.14911	12.9
261.18585	4.4
269.15280	3.7
277.18234	2.8
287.16522	90.9
288.16672	5.0
305.08087	3.6
305.17563	100.0
306.17899	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1755
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03426	4.3
59.01372	37.1
69.03466	3.9
71.01390	19.7
75.00874	4.3
75.32497	3.0
78.05386	2.8
81.03456	12.7
83.01388	6.0
85.02982	2.7
87.00850	4.5
89.02439	21.2
93.03446	9.2
95.01379	3.9
95.05002	3.5
97.02945	10.7
97.06573	9.9
99.04572	2.7
100.37541	2.8
101.02442	12.9
109.02947	7.0
111.02593	2.8
113.02449	5.5
119.03512	6.0
123.00862	3.9
123.08123	2.7
125.02448	13.1
125.06092	15.2
127.07649	11.1
135.04457	3.8
135.08127	4.7
136.05394	3.2
138.06873	3.4
149.09735	5.1
151.11241	6.2
154.92735	2.7
161.02449	3.2
167.10721	3.5
170.22295	2.8
189.12852	6.9
193.12135	2.7
195.13879	23.0
201.16266	2.7
205.12457	3.0
219.05122	3.1
223.13577	3.7
231.13823	2.8
243.17506	47.2
244.17909	2.6
250.12134	10.0
259.16989	5.7
261.18600	12.1
269.15457	4.4
287.07776	3.9
287.16553	47.6
288.16937	3.1
305.08801	19.6
305.17590	100.0
305.21149	7.9
306.17932	6.9
306.21796	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03426	2.3
59.01374	4.9
69.03467	0.9
70.64878	2.1
71.01366	1.0
71.05018	29.9
80.02690	1.0
81.03437	2.3
81.34351	0.7
81.34820	0.7
83.05026	1.4
93.03448	2.5
95.05032	16.4
97.06581	2.1
106.04234	2.2
107.05005	2.3
109.02957	1.5
109.06581	15.8
111.04526	1.6
119.04999	1.8
120.05802	1.3
121.06584	3.4
122.03728	2.3
123.04535	1.3
123.08166	1.9
125.06045	0.9
125.09704	3.1
127.07640	1.8
132.05843	0.9
135.08147	11.6
139.07587	0.9
147.04500	3.7
147.08159	2.8
149.09741	0.9
150.06795	1.6
153.09094	0.8
161.06100	2.7
161.09656	1.8
164.08388	0.9
164.98529	0.8
165.09213	9.8
175.07642	1.4
185.11790	5.1
187.11383	0.9
189.12839	13.4
190.13107	0.8
198.37628	0.8
202.58980	0.9
203.14355	1.3
205.15942	8.2
209.11742	1.0
223.13475	0.7
231.13834	1.8
233.11806	7.1
243.17516	11.2
244.17958	1.1
245.15456	1.2
249.14966	11.9
250.15239	0.9
261.18552	3.0
263.16360	1.3
269.15375	2.1
287.16510	75.4
288.16898	7.5
305.17560	100.0
306.17899	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	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01357	0.3
67.64055	0.2
70.72347	0.6
71.01381	0.5
112.02750	0.3
113.06087	0.3
127.07597	0.3
141.95303	0.2
148.64587	0.2
155.10736	0.5
161.02452	0.2
169.12360	0.3
211.28339	0.2
222.75610	0.2
255.20650	0.3
280.70828	0.3
300.76068	0.3
303.23206	0.3
305.24823	100.0
306.25162	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
60.09600	0.1
61.98830	100.0
62.98568	0.1
67.04565	0.1
71.48550	0.2
83.34994	0.1
104.80995	0.1
119.68900	0.1
121.02954	0.5
146.95184	0.2
148.93123	0.3
153.55624	0.1
157.29422	0.2
161.98923	1.1
162.98431	0.8
163.98763	0.5
164.96391	60.2
165.96471	3.4
206.97441	23.4
207.97556	1.5
224.08063	0.2
264.96481	0.4
306.97537	17.5
307.97629	2.5
321.56528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63634	0.6
54.22430	0.5
57.03454	0.6
59.01363	3.5
59.22248	0.5
60.46723	0.5
71.01377	1.4
72.28495	0.5
72.99297	2.9
75.00869	27.7
85.19735	0.5
89.02450	4.8
93.60217	0.5
96.69834	0.6
98.20656	1.8
99.08150	4.0
117.01956	1.6
117.98904	0.5
127.07693	3.7
129.05585	14.0
135.02997	100.0
136.03358	2.0
145.08733	0.8
171.06618	0.6
172.70073	0.5
189.07690	14.1
189.09364	1.1
190.08029	0.7
229.03011	0.5
249.84875	0.5
263.30756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66131	0.5
59.01376	8.3
65.40743	0.5
69.55046	3.6
71.01385	1.1
72.99293	2.7
75.00867	26.0
77.23320	0.5
83.93551	0.4
89.02438	4.9
99.08145	5.9
117.01918	2.0
127.07655	8.2
129.05573	20.5
130.05966	0.6
135.02988	100.0
136.03310	1.5
144.26674	0.5
145.08696	1.0
171.06607	1.1
174.22621	0.5
189.07663	21.3
190.08020	1.0
307.10275	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56153	0.2
59.01374	0.5
60.60660	0.2
62.63538	0.2
62.63884	0.2
69.62895	1.5
74.99068	7.1
75.35585	0.2
91.02210	2.8
93.00140	1.4
136.97322	0.3
137.67223	0.3
143.05299	0.4
149.00938	2.9
159.08459	6.7
160.08710	0.3
161.06372	1.3
185.11710	0.3
192.98125	0.6
206.99641	1.6
209.01251	2.9
217.07158	0.8
223.02817	50.9
224.02869	4.4
225.00653	0.4
241.03868	0.7
245.19028	0.5
275.05930	0.5
289.07492	2.2
289.18063	1.1
291.09082	100.0
292.09189	12.3
307.12256	2.4
307.19092	0.9
308.12207	0.5
309.09988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96708	0.3
59.01381	1.7
59.01643	0.4
59.96732	0.6
62.63274	0.3
65.70686	0.3
71.01383	0.9
74.99069	6.5
75.12609	0.3
75.70054	0.3
89.02485	0.5
91.02213	2.6
93.00137	2.0
98.20767	0.6
101.02435	0.5
124.02807	0.3
143.05342	0.5
149.00928	2.8
159.08458	7.1
160.08939	0.4
161.04543	0.5
161.06366	1.4
168.11411	0.3
192.98076	0.7
206.99680	1.3
209.01216	2.8
209.11990	0.4
209.59537	0.3
212.58595	0.4
217.07153	1.1
223.02820	49.3
224.02847	4.6
225.00833	0.4
241.03824	0.5
289.07596	2.0
289.18213	1.0
291.09073	100.0
292.09161	10.8
307.09354	0.4
307.12198	2.1
307.19089	1.1
307.22412	0.4
309.10117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01870	1.2
55.12434	0.6
57.03444	0.9
58.00583	1.9
59.01375	41.1
69.49868	3.7
69.50266	1.0
71.01377	17.1
72.99293	1.6
73.02924	1.8
78.11848	0.6
83.01392	1.9
85.02930	4.9
87.00854	1.1
87.19466	0.7
89.02438	18.3
95.01377	2.1
98.20757	0.7
99.08146	18.5
100.08454	0.9
101.02437	14.5
113.02440	7.5
119.03474	6.3
119.70058	0.6
127.07659	5.2
129.09134	1.7
141.09184	2.0
143.03453	0.8
145.08698	67.5
146.09033	2.1
161.04536	0.7
179.05609	0.9
180.40247	0.7
187.09689	2.2
307.13947	100.0
308.14325	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38217	1.4
57.03429	2.8
59.01378	4.0
69.21031	14.8
72.11159	1.3
81.03479	2.0
83.05025	4.4
84.34457	1.4
93.03476	1.8
95.05022	2.2
97.06619	2.2
98.03740	3.1
99.08147	5.2
109.02968	2.3
109.06579	2.4
113.29771	1.3
125.09710	2.6
127.07664	21.1
131.80121	1.7
137.09718	3.3
138.06880	2.2
149.09752	2.3
151.11270	9.3
153.09233	2.4
155.10768	4.3
167.10759	3.4
177.12817	5.6
179.10847	2.4
186.94670	1.6
191.14430	5.0
193.12358	2.5
195.13895	3.9
223.13330	3.6
233.15358	4.2
245.19092	22.1
246.19453	2.0
252.13498	2.1
261.18433	1.9
263.19925	3.4
265.61206	1.8
267.12308	2.4
271.17230	2.1
279.19586	2.4
289.14743	1.9
289.18085	70.8
290.18405	6.4
307.19138	100.0
308.19315	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03442	7.2
59.01384	31.2
65.03959	15.1
69.03435	3.1
71.01379	4.7
71.04992	13.1
71.50817	4.2
72.99317	2.7
73.02934	3.7
80.02628	3.2
80.30523	2.7
81.03446	3.8
83.05035	7.7
85.02974	3.8
93.03465	6.1
95.05006	3.9
96.96001	4.5
97.02928	4.1
97.06596	24.7
101.02468	3.1
103.03993	3.5
109.06578	3.9
111.08148	3.3
113.02416	4.1
117.07114	4.8
119.05008	3.4
119.08652	10.3
121.06602	25.1
123.04503	4.1
125.09709	17.6
135.08168	28.5
137.09709	2.9
138.06836	2.3
155.10689	4.1
161.04602	3.6
163.11246	4.1
171.10249	25.3
185.11797	25.4
191.14445	6.6
207.10213	2.7
209.11775	14.5
211.13469	11.8
233.15451	7.1
235.13399	18.9
237.11256	8.0
245.19084	21.8
249.14992	11.5
261.18509	3.0
263.20419	3.0
271.17053	4.5
276.26666	2.7
279.19522	2.8
289.18085	100.0
290.18423	10.5
307.10172	10.2
307.19119	98.7
308.19559	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
59.01369	2.5
66.64567	0.7
67.43221	0.7
71.05022	6.2
71.05368	1.4
76.77482	0.7
80.02688	1.4
81.03458	2.3
83.05035	1.9
91.19048	0.7
95.05029	2.0
97.06576	1.0
98.03713	2.5
106.04260	1.4
109.06586	16.9
111.04533	7.6
111.08156	1.9
112.05300	1.0
123.08181	1.6
127.07642	4.0
137.06107	1.2
143.10765	1.9
145.06599	2.3
149.09682	1.0
157.85013	0.8
163.31844	0.9
167.10744	3.0
179.10773	1.6
190.31975	0.8
191.14391	1.1
195.13902	4.0
235.13449	1.7
245.19019	5.2
251.16531	1.3
270.02600	0.8
271.16919	1.3
279.95731	0.8
287.16492	2.5
289.18076	100.0
290.18433	8.9
307.19125	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01366	7.5
69.03456	3.2
70.45619	1.9
80.02669	1.9
81.03444	5.4
83.01363	5.7
83.05015	3.0
95.04990	4.5
97.02923	6.4
97.06574	7.5
98.20667	4.3
109.06584	2.4
112.08371	2.1
121.06541	4.2
123.04507	10.9
123.08147	4.6
125.09700	14.2
130.34286	2.1
135.08177	2.2
137.09752	12.0
141.12810	2.6
142.02692	3.3
143.33347	2.2
149.06067	3.6
163.07562	2.1
163.11258	14.1
165.12779	4.6
179.10670	2.1
181.12244	2.0
185.11807	17.7
191.10695	2.4
191.14409	19.5
207.10274	10.9
209.11801	26.3
211.13347	2.6
225.11302	10.6
228.92615	2.3
245.19035	45.3
246.19356	2.7
247.17000	1.9
271.17102	2.4
289.18082	100.0
290.18607	9.1
307.15622	3.0
307.19125	57.4
308.19489	6.0
324.24957	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05111	3.4
57.03436	5.0
58.23924	3.2
59.01365	4.9
59.91266	3.5
71.53056	4.0
80.02660	4.3
81.03465	5.1
83.01373	6.7
83.05040	4.4
95.05004	3.7
97.02916	5.1
97.06581	11.3
117.16309	3.7
123.04533	9.5
123.08154	4.8
125.09713	21.7
137.05997	5.3
137.09717	10.8
163.11285	14.3
165.12833	5.3
167.10750	5.5
181.12329	5.0
185.11803	18.4
191.14365	22.4
207.10274	9.0
209.11842	35.2
217.15982	4.6
218.80855	3.4
225.11240	11.7
245.19078	42.6
263.20197	4.2
289.18109	100.0
290.18521	6.7
291.40527	3.6
307.19174	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	13.3
59.01367	14.0
70.25584	12.8
71.01375	12.4
71.05029	3.8
81.03464	4.7
82.43433	4.1
83.05018	6.1
87.30882	3.5
97.06609	28.6
109.06551	6.4
111.08130	6.9
119.20150	3.9
121.06575	10.2
125.09737	8.8
127.07597	4.1
129.71098	3.8
133.34415	3.5
135.08168	8.0
137.09717	6.5
139.35410	3.8
147.11812	4.6
149.09712	5.3
151.11278	27.4
153.09189	11.5
153.12772	7.7
155.10783	12.7
163.11281	9.3
165.12843	29.0
167.10741	3.9
171.10248	16.8
179.10756	7.2
181.12344	26.0
185.11772	26.6
191.10767	14.7
191.14406	8.3
205.12218	4.8
209.11816	67.2
211.13354	13.4
221.77606	3.6
245.19057	34.9
261.18503	6.8
263.20081	13.4
279.19623	7.3
289.18073	59.7
307.19144	100.0
308.19467	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03439	10.3
59.01371	11.1
68.51643	2.8
69.03440	5.0
70.63184	6.7
71.01376	9.8
72.72562	2.3
75.02874	2.1
81.03493	2.7
83.05035	5.4
86.83027	2.4
95.05022	2.9
97.06580	20.4
99.15955	2.4
107.04977	2.8
109.06578	6.0
111.08144	9.5
112.49700	2.7
121.51385	2.8
123.08124	2.3
125.09727	4.6
127.07656	2.7
133.10246	3.0
137.02437	3.1
137.09758	3.2
140.32481	2.9
149.09772	5.0
151.11313	20.5
152.56270	2.3
153.12810	3.5
155.10730	17.1
163.11302	4.0
165.12848	21.0
169.12256	3.3
173.30092	2.3
177.12852	4.1
177.74213	2.3
179.10770	8.4
181.12350	17.6
191.10757	9.4
191.14375	13.5
195.10121	3.1
197.11790	6.1
205.12282	4.2
209.11836	42.7
210.12149	3.4
211.13367	9.0
217.15952	2.7
224.10545	3.1
239.09337	3.5
245.19087	43.3
246.19366	4.7
263.20248	13.8
279.19589	5.0
289.18100	48.6
290.18213	3.8
307.19141	100.0
308.19418	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.26413	2.4
57.03455	4.5
59.01380	22.9
69.35410	12.0
69.35840	9.6
71.01364	6.5
80.67074	2.5
81.03459	4.4
83.01379	5.6
85.02938	4.0
89.02425	5.2
95.05048	7.3
96.24970	2.8
96.96001	2.7
97.02936	3.6
97.06573	12.2
101.02423	3.6
109.06660	3.3
118.29076	2.9
123.04503	10.8
123.08178	4.1
125.09729	17.3
137.09683	10.5
142.02576	2.8
151.11385	3.2
153.69005	2.9
160.10196	2.9
161.04582	3.6
163.07578	3.9
163.11256	17.0
167.10725	3.1
171.10202	2.4
179.10767	3.5
181.12497	4.2
182.74863	2.5
185.10304	2.7
185.11761	18.0
191.14398	14.6
207.10202	8.7
209.11836	27.8
217.16010	4.2
223.02695	6.9
225.11304	7.7
245.19127	43.3
263.20148	6.3
271.16931	6.8
279.76547	2.8
289.18079	100.0
290.18439	8.3
291.09109	17.0
307.10095	7.5
307.15643	3.5
307.19186	58.8
308.19373	3.4
308.31616	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01371	1.2
69.84895	1.6
70.90738	0.3
71.01399	0.3
72.82059	0.3
89.02419	0.4
94.17793	0.3
96.96039	0.5
105.90496	0.3
107.39745	0.3
113.09738	0.5
144.17755	0.3
198.59320	0.3
266.13785	0.3
307.22763	100.0
308.19537	0.5
308.23111	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2642
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01355	0.6
64.89629	0.5
70.98524	1.2
88.45466	0.6
116.51404	0.6
173.26677	0.6
307.26404	100.0
308.26752	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20761	1.2
59.01380	9.3
71.01382	24.0
71.50333	1.4
71.50739	1.9
71.91225	1.2
93.03445	1.8
106.77136	1.4
115.00372	24.3
117.03458	8.8
124.16166	1.3
133.01428	44.7
134.03732	100.0
135.04161	1.6
143.05002	1.7
149.06020	6.7
178.02641	4.1
193.05043	97.0
194.05394	4.7
265.08557	3.1
309.07593	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	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60405	1.2
53.65722	1.2
56.98051	1.2
59.01370	5.1
69.66343	5.1
69.66747	2.9
71.01386	21.4
72.99294	4.1
81.38634	1.4
81.58771	1.3
89.02415	1.6
89.03957	1.7
93.03455	2.0
99.33387	1.2
115.00379	42.4
116.00706	1.6
117.03456	5.4
133.01433	83.8
134.03748	100.0
135.04074	3.6
145.62851	1.4
149.06100	3.7
175.02481	1.3
193.05057	75.8
194.05389	3.4
265.08722	1.6
291.66525	1.3
304.06421	1.3
309.07608	5.9
314.59738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31437	1.1
57.96085	1.1
59.01377	2.2
68.26158	1.2
71.01011	1.9
71.01382	24.6
71.01778	1.4
89.04008	1.6
92.90210	1.1
95.97617	1.2
96.11526	1.0
98.20683	3.2
115.00375	12.3
117.03485	8.5
133.01418	10.6
134.03737	91.4
135.04053	2.7
137.02454	2.2
149.06071	7.6
178.02682	5.1
193.05048	100.0
194.05368	3.6
229.25879	1.7
309.07568	2.4
309.14429	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01872	1.0
57.03433	1.8
58.00581	1.7
59.01377	64.3
59.27574	0.6
61.98810	0.6
66.10071	0.6
68.54543	0.7
69.19653	3.0
69.20080	3.1
71.01376	36.8
71.05019	0.6
72.01731	0.7
72.99294	2.8
73.02925	2.5
83.01378	2.5
83.05006	1.5
85.02951	8.9
85.06601	0.9
87.00849	1.4
88.99529	0.6
89.02440	31.0
95.01388	3.2
98.19909	1.0
99.00874	1.6
99.04520	1.4
101.02435	21.2
101.06057	1.7
111.04510	1.2
113.01649	0.6
113.02445	12.0
119.03503	13.6
125.02377	0.8
129.05574	13.8
130.08691	3.9
131.03506	1.1
133.02943	0.6
134.13313	0.5
143.03473	1.0
147.05560	1.1
147.06636	11.5
149.04494	1.1
152.01147	1.2
161.04543	2.8
179.05597	1.8
208.00125	1.6
210.56505	0.7
265.12329	0.8
295.10211	0.6
309.02551	4.5
309.11874	100.0
310.12326	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	309.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53037	0.8
53.53784	1.0
55.20760	0.8
59.01378	100.0
60.01691	1.1
70.34422	2.3
93.07100	0.9
128.84262	0.8
161.07121	0.8
161.13390	6.6
179.61975	0.8
205.12315	30.2
206.12584	2.3
245.75319	0.8
249.11290	2.0
272.20660	0.8
284.10251	0.8
305.31128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22855	0.6
57.03437	0.6
59.01377	100.0
60.01696	0.8
62.05937	0.6
75.75433	0.6
76.58950	0.6
78.81641	0.8
81.23090	0.8
87.32056	0.7
89.59554	0.7
98.20667	1.6
128.56319	0.7
150.06877	1.7
161.13354	9.4
162.13788	0.9
205.12312	35.7
206.12735	3.0
222.51065	0.7
223.13446	1.8
249.11362	1.7
291.19659	5.4
309.17368	1.3
309.20700	7.9
310.21045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93151	0.5
52.46943	0.4
52.96672	0.4
59.01379	100.0
60.01719	0.6
61.74178	0.5
62.16563	0.4
65.04871	0.4
69.77687	1.0
69.78091	1.6
79.68146	0.5
98.19936	0.4
99.00288	0.5
135.34789	0.5
150.06853	1.9
150.48630	0.5
161.13370	11.7
162.13712	0.7
197.11824	0.8
205.12325	28.0
206.12732	1.7
223.13411	1.7
227.07983	0.5
249.11369	2.3
291.19724	3.5
309.07687	0.8
309.20724	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	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22760	0.9
58.74166	0.8
59.01378	100.0
60.01722	1.0
69.75991	2.9
69.76392	2.4
77.97028	1.0
97.11402	0.8
98.20579	1.8
107.23436	0.9
161.13329	8.0
162.50511	1.0
205.12315	28.6
206.12718	1.7
249.11093	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	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.6
59.01374	23.4
60.73425	1.3
64.02423	1.5
65.61704	1.4
69.03432	1.9
69.61937	8.5
88.18340	1.3
91.12419	1.3
109.06622	2.1
111.08150	37.7
112.08520	1.5
127.07661	2.3
131.01535	1.3
137.35423	1.4
153.12816	2.8
161.13351	1.7
169.12291	6.9
171.10269	2.8
181.12325	1.6
182.38850	1.5
183.13881	2.1
193.34402	1.6
197.11830	100.0
198.12117	6.0
199.13434	4.9
205.12317	4.4
207.13937	1.9
209.15445	7.6
211.13416	12.5
225.14911	5.1
227.12814	4.1
251.16536	2.9
263.20126	7.0
265.18021	2.4
273.18484	4.2
291.19635	22.8
292.19931	2.0
309.17322	1.9
309.20685	39.6
310.21039	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	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01379	100.0
60.01719	1.0
62.94780	0.8
64.03099	0.7
67.51917	0.9
71.07460	1.3
72.39744	0.7
97.06615	1.0
99.00864	1.1
111.08135	4.0
127.07536	0.8
150.06888	2.3
151.03951	1.7
151.07657	4.0
152.08411	3.5
155.10860	0.8
161.13370	8.5
165.12856	0.9
169.12254	1.5
171.10242	3.2
181.12329	1.7
195.13878	1.0
197.11833	12.6
199.13388	0.8
205.12328	32.9
206.12604	2.6
209.11693	1.2
209.15453	7.2
211.13432	3.6
229.14709	0.9
247.17038	1.1
247.20566	1.4
249.11349	1.5
265.18021	1.7
291.19617	20.1
292.19943	1.0
309.17038	11.5
309.20660	42.1
310.21124	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	309.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.2
59.11185	0.5
60.01682	0.5
66.21865	0.5
71.01383	0.6
71.50492	0.5
79.95726	0.9
95.42691	0.4
95.95186	0.5
96.96011	9.5
99.00894	0.5
101.46618	0.4
111.08279	0.5
151.04054	1.0
151.07655	1.7
152.08427	1.3
180.89108	0.4
181.41846	0.4
197.11909	0.7
204.96130	0.5
209.15421	3.6
227.20160	100.0
228.20479	6.4
229.64063	0.5
265.18256	0.5
291.19714	1.7
309.17245	14.4
309.20566	17.3
310.17624	1.1
310.20905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69065	2.1
57.03432	2.7
59.01367	3.1
67.01885	1.9
71.05031	2.7
77.61407	2.0
80.02667	9.7
81.03441	4.6
83.05029	28.9
84.02171	10.6
95.04999	3.5
97.02963	2.1
97.06558	4.4
98.19955	5.4
99.08144	9.6
111.08147	1.9
113.09727	3.0
115.07624	3.9
118.95927	2.1
119.08635	2.5
123.04525	2.5
123.08131	3.5
125.09679	4.5
127.11265	6.4
132.44218	2.0
135.08089	2.6
137.09711	48.8
139.11302	9.4
151.07597	2.6
151.11258	4.6
153.09210	7.4
155.10771	56.3
162.85379	1.9
167.10709	3.0
171.10240	47.5
193.12308	28.2
195.13814	2.5
197.11763	4.0
209.11812	6.5
209.15419	5.7
211.13318	6.0
247.20601	6.9
263.20154	6.5
265.21655	8.1
291.19653	100.0
292.20038	6.4
309.14725	13.2
309.20645	91.7
310.20984	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.00179	1.3
57.03434	3.8
58.48961	1.2
59.01377	9.1
69.03445	2.4
69.61147	8.0
71.01387	1.7
71.05020	23.5
95.04983	1.9
95.08897	1.2
96.95972	2.0
97.06588	6.5
107.05000	1.7
111.08173	12.0
117.25496	1.2
119.08608	1.3
121.10214	5.2
123.08186	2.0
125.09679	5.4
135.08144	1.7
137.09718	24.6
138.10008	2.4
161.13260	1.2
171.10254	59.0
172.10609	2.5
181.12317	1.8
185.11790	9.3
195.13942	1.9
197.11819	21.5
205.12296	2.5
207.13759	1.6
209.11821	1.9
211.13470	2.4
212.68254	1.2
219.13739	1.9
233.15494	2.0
235.16847	1.5
237.14900	4.1
247.20642	3.6
251.16495	20.2
252.16779	2.0
256.84158	1.2
261.15457	1.4
263.20264	1.9
273.18524	2.9
291.19644	74.1
292.19943	4.6
309.20673	100.0
310.21075	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.7
59.01371	4.8
59.28230	1.4
69.03454	3.1
70.80977	2.8
71.05028	8.6
76.00868	1.3
83.05018	4.8
85.06606	6.7
87.01376	1.4
87.04527	1.9
89.96478	1.3
97.02952	5.1
97.06622	2.2
109.06589	5.2
111.04520	4.2
111.08210	1.9
112.05258	1.5
113.86863	1.4
167.10747	2.4
171.10246	1.8
179.10913	1.8
179.14371	6.1
181.12286	1.9
183.13873	2.2
193.12341	1.6
195.13885	28.5
205.12288	2.8
217.15866	1.5
221.15437	26.3
222.15677	1.7
223.13380	12.0
235.02336	1.4
239.16618	6.3
239.18736	1.3
247.20554	2.6
251.16495	2.6
273.18524	4.2
291.19650	84.5
292.19885	3.7
309.20685	100.0
310.21005	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.64201	1.3
57.03417	1.6
67.60538	1.3
70.64753	3.2
70.65100	1.8
76.01765	1.5
93.44862	1.4
97.06573	2.2
109.97531	1.4
121.10232	8.0
123.08109	1.5
125.09691	7.1
137.09718	2.6
167.14410	2.1
171.10280	3.7
174.78401	1.3
185.11800	12.7
195.13890	2.3
197.11775	4.1
211.13377	66.0
212.13675	5.0
247.20721	1.5
251.16530	2.8
291.19641	100.0
292.19928	9.5
309.20676	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.4
68.93179	1.4
69.03452	2.2
69.44349	8.6
76.31332	1.4
81.03448	1.4
93.63487	1.5
97.02944	12.0
98.19901	2.1
111.08085	1.6
119.08637	2.4
123.08183	2.1
125.09668	2.3
137.09689	5.9
141.12715	1.6
151.04039	2.5
151.07619	4.5
151.44643	1.2
152.08397	6.0
163.11221	4.4
165.12823	7.1
171.10268	10.8
177.12936	1.4
179.14371	2.1
179.78181	1.4
181.12317	4.1
182.59456	1.4
185.11775	1.8
193.15979	1.3
197.11867	3.3
203.29048	1.2
209.11778	2.3
209.15469	6.7
223.13380	2.9
247.20663	9.8
252.09985	1.6
269.62186	1.3
273.18491	3.2
291.19635	100.0
292.19986	9.2
309.17010	12.8
309.20630	92.4
310.20963	7.6
318.12378	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.9
59.01376	5.5
69.94803	5.4
73.41566	1.4
73.78185	1.2
77.97203	1.0
98.20667	1.6
102.74347	1.3
103.65517	1.3
111.08153	36.7
112.08472	1.7
127.07616	2.2
153.12854	1.3
169.12332	6.2
171.10188	1.5
173.12978	1.4
181.12317	2.0
197.11815	100.0
198.12108	6.2
199.13354	5.3
207.14035	1.3
209.15407	3.1
211.13403	10.1
214.16064	1.2
223.16919	2.3
227.12897	3.6
229.99980	1.2
251.16476	3.1
263.20099	5.0
265.18036	1.9
273.18484	2.5
290.45135	1.2
291.19647	24.7
292.19992	2.0
309.17731	1.4
309.20673	37.8
310.21072	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24409	0.9
57.03429	0.9
57.31828	1.0
58.00592	2.1
59.01378	2.2
66.27013	0.8
69.12936	2.6
69.13354	6.6
73.02942	1.4
77.20731	0.8
83.05000	1.1
93.07127	1.3
96.62308	0.8
97.06565	1.0
98.20674	2.0
109.06598	1.1
111.08154	29.2
123.01780	1.0
127.07623	2.9
137.09752	1.1
151.11302	1.8
153.09154	1.2
153.12833	2.5
155.88829	0.9
165.12842	1.1
169.12383	6.6
171.10294	1.6
179.10765	1.1
181.12383	2.9
183.13940	1.5
197.11824	100.0
198.12144	4.2
199.13292	3.5
211.13408	12.0
227.12875	2.9
250.69615	1.0
263.20236	7.0
265.18143	2.5
273.18417	1.4
291.19635	19.0
292.19965	1.0
309.20676	36.6
310.20975	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
58.32701	0.6
59.01365	1.0
69.35415	0.7
69.35669	2.1
69.36090	2.6
71.01379	0.7
75.00235	0.7
76.05462	0.6
76.92783	0.6
83.04999	0.8
83.68152	0.5
85.39722	0.6
95.05090	0.7
97.06574	2.2
98.19904	1.3
104.22645	0.7
107.43630	0.7
112.28093	0.6
113.09705	3.5
115.07648	1.4
126.06899	1.3
139.11269	0.7
141.09198	2.2
151.11301	0.7
165.12801	3.4
167.10814	1.0
167.14375	2.0
179.14388	0.6
181.12343	4.1
183.13864	1.4
187.73499	0.7
193.12329	2.2
195.13850	1.8
211.13411	4.4
221.15450	1.9
240.13643	2.6
247.20673	3.4
262.70227	0.8
263.20123	0.9
266.76282	0.8
273.18643	2.1
281.21304	1.7
285.25903	0.7
291.19662	45.6
292.19974	5.7
309.20700	100.0
310.21008	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.2
59.01344	1.2
68.59162	0.7
70.98266	1.6
70.98629	0.8
71.01420	0.8
83.05019	0.9
84.67247	0.7
96.01708	0.8
109.06573	1.5
111.08154	3.5
123.00906	0.8
125.09756	1.0
127.11267	1.4
139.07591	0.8
151.11261	1.4
153.09140	0.9
153.12859	5.4
154.33067	0.7
155.10802	1.6
165.12816	0.9
167.10748	2.5
169.12447	1.6
179.14401	2.1
181.12311	4.0
193.16013	0.7
196.82104	0.7
197.11826	5.6
199.13382	2.4
207.13947	1.9
215.12837	1.4
227.12825	1.4
228.13664	1.7
234.40881	0.7
238.06750	0.9
247.20641	4.5
263.20190	1.0
273.18555	2.5
281.21198	1.4
291.19644	41.9
292.20096	3.8
309.20679	100.0
310.21048	9.0
334.44370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.64316	1.4
59.01369	5.2
61.46756	1.7
70.51911	4.9
71.01376	2.1
74.61497	1.6
74.93093	1.8
76.31771	1.5
78.29054	1.6
81.90580	1.5
82.89795	1.6
83.01385	4.0
83.05013	2.3
97.06584	5.0
111.08138	5.1
115.30470	1.7
118.74995	1.7
123.08146	2.9
125.09701	5.0
126.87405	1.6
137.09763	2.1
139.11301	7.5
142.21802	1.4
151.03999	2.0
151.07658	4.0
151.11275	2.3
152.08411	3.8
153.12833	1.9
163.11237	5.5
165.12799	10.3
167.10690	4.5
171.10240	3.5
179.14380	2.1
181.12372	3.4
183.12428	1.7
183.13928	7.0
185.11906	1.9
189.85388	1.7
193.15927	4.8
197.11797	10.5
209.11795	20.2
209.15453	6.2
211.13358	3.1
236.08943	1.7
237.80415	1.7
247.20677	16.5
265.18796	1.8
265.21680	12.7
266.22235	2.7
273.18497	3.2
281.21289	1.7
282.86740	1.6
291.19635	92.2
292.19955	7.2
309.15073	4.6
309.17484	3.5
309.20670	100.0
310.20941	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
57.33411	0.9
59.01374	3.0
69.03478	1.2
71.05009	1.8
71.06149	1.1
71.50829	1.7
72.56170	1.1
80.02706	1.5
81.03452	2.2
83.01389	7.3
83.05022	4.2
95.05013	2.1
97.02982	1.5
97.06577	5.1
111.08138	1.7
113.09679	1.4
123.04529	2.6
123.08192	3.1
125.06113	2.0
125.09698	9.8
132.33055	1.1
137.09743	2.3
139.11261	9.0
151.07672	1.1
152.08447	1.1
161.09708	1.2
162.10576	1.1
163.11305	6.1
165.12836	14.4
167.10760	6.2
168.11533	1.5
171.10339	1.6
181.12329	4.1
183.13812	1.7
189.12924	1.1
191.10788	4.0
193.15964	5.8
197.11794	2.3
207.10133	1.4
209.11818	43.9
209.13823	2.2
210.12163	3.1
211.13342	2.5
247.20660	14.9
265.21756	3.0
273.18631	4.2
281.21426	1.2
291.19638	100.0
292.20004	7.3
292.22876	1.1
298.08432	1.3
309.15195	2.7
309.20688	39.8
309.24268	2.5
310.20996	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.36114	3.0
57.03447	6.6
59.01365	22.2
61.98813	3.8
63.89912	2.9
69.03436	3.2
71.01371	6.2
71.13617	4.4
74.60192	3.6
80.02673	3.1
83.05017	3.3
96.95990	17.6
97.06579	5.3
99.00881	3.5
101.02440	3.9
107.45794	3.1
110.08092	3.5
111.08148	10.8
113.02431	3.4
123.07380	3.2
123.08160	22.8
125.09698	18.6
127.11318	3.4
137.09714	14.7
139.11230	8.8
151.03972	6.7
151.07628	22.6
151.11273	8.0
152.08417	17.5
155.10760	34.9
165.12892	7.5
167.10732	7.5
171.10246	81.1
185.11812	76.2
193.15976	3.4
197.11830	13.2
209.11830	9.1
209.15451	26.1
211.13321	8.7
225.02492	23.9
226.02917	3.6
247.20622	12.5
252.10042	4.7
253.70168	3.5
263.20193	7.0
265.18289	4.8
265.21683	7.2
281.21149	10.9
291.19623	75.6
292.20096	5.8
293.08841	50.3
294.09042	3.4
309.14807	13.4
309.17117	48.4
309.20718	100.0
309.24152	5.3
310.20898	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	309.2068
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.37734	0.5
53.25567	0.6
56.61014	0.7
57.03433	1.9
59.01376	35.8
59.29756	0.5
61.09041	0.5
66.68233	0.5
67.85997	0.5
69.03456	0.8
69.74681	2.6
69.75092	1.2
71.05003	2.4
83.05002	1.0
96.95969	0.9
97.02965	0.7
97.06607	3.2
98.20628	1.3
111.08191	1.3
113.09715	2.5
115.07618	2.1
121.10204	0.9
123.04491	0.7
125.06073	0.8
125.09713	0.9
137.09700	2.4
139.11234	0.6
141.09203	2.7
151.11288	0.7
153.12738	0.7
161.13350	2.1
165.12839	4.0
167.10689	1.0
167.14375	2.1
171.10258	5.5
177.12782	0.6
181.12334	4.8
183.13828	2.3
185.11760	0.8
193.12343	1.8
193.15862	0.7
195.13928	2.8
197.11784	1.4
205.12303	9.8
206.12668	0.7
211.13374	5.5
213.14948	0.9
221.15410	1.9
223.13388	1.5
229.14458	0.8
240.13696	1.0
241.14339	0.6
247.20657	4.1
249.11211	0.8
251.16617	1.4
255.23039	0.6
263.20255	0.6
265.21478	0.8
273.18594	3.7
281.21149	1.7
282.75806	0.6
291.19638	53.4
292.19952	5.7
309.20676	100.0
310.20984	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0925
Annotation	R1128B
Peak:m/z	Relative Intensity
59.01381	6.9
68.36697	0.5
71.01379	0.9
72.19655	0.6
91.68288	0.5
93.03462	31.3
94.03787	0.9
96.99314	8.4
115.05550	7.4
117.03493	2.9
119.05034	20.3
123.04519	2.6
129.10158	0.6
130.04231	2.2
131.05037	3.9
133.02974	4.2
137.02394	0.7
143.05031	16.0
144.05499	0.8
145.02916	2.5
145.06624	0.8
147.04532	6.9
158.03677	1.8
163.04008	10.5
171.04565	0.7
195.08176	7.3
196.08447	0.9
205.10303	0.7
206.07208	0.7
207.08122	1.5
207.13954	0.8
219.08102	5.6
221.09726	6.3
223.11241	1.9
229.03029	0.6
247.07651	0.7
248.08322	0.8
249.09203	31.2
250.09599	2.2
267.10361	1.2
287.88663	0.6
293.08191	10.1
294.08694	0.8
311.09241	100.0
312.09534	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	311.0981
Annotation	Vicianose
Peak:m/z	Relative Intensity
58.00589	3.8
59.01376	100.0
60.01715	1.8
69.03462	8.5
69.38595	13.0
71.01380	50.8
72.99290	4.8
73.02940	5.5
80.12856	1.6
81.10506	1.8
83.01390	2.4
85.02941	10.7
87.00879	4.6
89.02435	53.6
95.01370	2.4
101.02435	33.8
113.02437	16.7
119.03500	26.5
122.06122	3.2
126.38848	1.6
131.03487	5.5
137.02429	4.5
143.03494	2.0
149.02379	2.3
149.04524	3.0
150.05623	11.4
152.07220	2.1
161.04510	3.5
164.01083	4.8
177.01973	1.9
179.05569	3.9
207.02942	2.0
237.06223	1.8
248.64020	1.9
251.11221	2.2
301.88504	1.8
311.09814	81.1
312.10626	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	311.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87514	0.8
59.01378	100.0
62.25870	0.7
65.77911	0.8
69.33926	6.3
71.01376	6.4
73.02941	1.9
83.01378	1.9
85.02945	3.8
97.03899	0.8
99.00881	0.9
100.06579	0.7
101.02438	4.8
113.02423	2.4
125.03068	0.8
139.93153	0.8
159.03011	0.9
161.04529	2.4
175.02315	0.7
177.92526	0.9
238.97321	1.0
269.10257	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	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.30795	12.1
71.01369	5.4
88.86398	1.3
96.96010	2.3
98.19604	1.1
101.02444	2.2
113.02403	2.0
133.02946	2.4
134.03696	3.6
135.04103	1.6
145.04214	1.3
193.04973	2.1
195.05447	2.6
211.04027	1.6
239.03442	1.6
268.03705	1.8
269.09363	3.7
284.03329	1.8
301.43594	1.4
311.10339	4.8
313.83673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11859	1.1
57.79344	0.9
59.01375	100.0
65.16937	1.0
71.01376	2.3
71.48756	1.5
73.02898	1.7
79.22217	1.0
85.02945	1.6
91.05038	1.1
101.02428	2.3
113.02455	1.8
133.02887	1.3
161.04526	2.8
172.67151	1.0
173.57396	0.9
203.38637	0.9
251.11339	4.0
315.86758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13779	0.7
59.01375	100.0
60.01700	1.2
61.60982	0.6
62.44836	0.7
64.87655	0.8
69.13695	7.4
85.30726	0.7
127.22049	0.6
132.13174	0.6
138.04851	0.6
140.52190	0.6
163.14970	0.7
170.63580	0.8
171.10303	1.2
207.13884	46.4
208.14203	3.3
251.13069	1.8
269.14069	2.5
281.04648	1.2
281.07968	0.7
293.21078	2.4
296.06961	0.8
311.09491	0.8
311.14957	0.9
311.22208	9.9
312.22681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22387	0.8
56.29145	0.9
58.57037	0.9
59.01378	100.0
60.01726	1.0
70.80820	2.6
71.70081	1.0
73.16846	1.0
75.68552	0.9
93.03447	3.8
109.02944	1.1
118.71104	1.1
119.05014	2.0
119.84013	1.1
133.03017	1.1
133.18030	1.0
135.59929	1.1
143.05006	2.2
145.02885	1.4
146.40669	1.2
147.04469	1.4
163.03981	1.4
207.13884	49.0
208.14255	3.7
222.02129	1.1
237.05568	1.0
249.09077	3.9
251.13083	1.2
265.05118	1.1
269.13907	2.3
280.65253	1.0
311.05533	4.9
311.09222	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	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04009	0.3
52.78883	0.3
55.67487	0.3
56.55104	0.3
67.78038	0.3
68.05084	0.3
79.95712	1.6
80.13694	0.3
87.14965	0.3
92.82193	0.3
98.95656	0.3
119.05014	1.5
164.34233	0.3
170.00455	1.1
183.01192	52.3
184.01910	4.1
197.02754	2.4
198.03490	1.0
216.00916	1.8
225.05853	0.6
230.02678	0.4
240.08167	0.4
253.09021	0.4
287.93240	0.3
311.16833	100.0
312.17145	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.54228	0.7
59.01382	7.9
60.61956	0.7
69.33040	5.9
70.71201	0.7
94.79684	0.7
97.06640	0.9
99.08151	5.3
112.89885	0.8
113.09721	5.0
127.07635	1.5
129.09213	13.9
139.11258	0.8
153.12791	1.5
163.11313	1.1
167.14273	1.2
169.12318	2.4
171.10239	1.4
181.12363	10.1
182.12695	0.8
183.01134	0.9
183.13921	4.3
193.12323	3.3
197.11856	11.3
199.13411	5.9
203.27658	0.7
205.15945	0.8
211.13391	29.8
212.13690	1.3
213.15018	4.3
251.11317	1.2
265.21780	1.1
275.20169	2.3
293.21234	23.2
294.21655	1.6
311.22266	100.0
312.22620	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	9.3
59.01373	2.1
69.24911	3.7
69.25330	2.1
73.02954	2.1
73.98586	0.7
87.38680	0.7
104.86695	0.6
107.94785	0.7
107.95608	0.6
110.36885	0.7
125.09731	2.8
127.07661	5.3
127.11316	5.1
139.11244	1.2
155.10773	1.9
165.09155	1.4
171.10275	5.2
183.10184	0.8
183.13898	19.8
195.13902	1.5
199.09822	1.3
201.11316	32.0
202.11658	1.5
211.13470	1.6
213.15021	5.8
222.32529	0.6
223.13423	1.6
241.14433	5.1
242.14786	0.8
275.20172	2.9
293.21167	9.2
296.61710	0.6
311.22272	100.0
312.22589	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34622	0.7
57.03435	2.3
59.01385	4.0
65.99943	0.7
69.61231	4.6
73.13140	0.7
79.40452	0.7
80.57476	0.7
83.05005	2.0
97.02962	1.7
97.06586	0.9
99.08154	3.3
111.08136	2.3
112.08478	1.2
113.08403	0.9
113.09718	3.5
121.10228	1.6
125.09697	1.7
127.11230	1.2
129.09207	1.9
139.11285	6.3
140.46497	0.8
155.00200	0.7
167.10779	0.9
171.10262	21.6
172.10580	1.1
175.11266	0.9
181.12288	1.9
183.13928	1.3
185.11833	1.6
193.10713	1.2
193.12326	13.1
197.11757	4.1
198.12151	3.0
199.12381	2.9
211.13391	14.8
249.22246	1.1
265.13718	0.9
293.21204	21.8
294.21503	2.2
311.22241	100.0
312.22629	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48429	1.1
57.03440	1.8
59.01363	2.7
66.62972	0.9
66.77083	1.0
69.03436	1.0
69.13813	3.2
69.14240	7.2
72.85412	0.8
83.04998	1.4
99.08133	2.2
103.11340	1.1
111.08222	1.2
113.09723	4.4
124.00044	0.9
125.09686	1.3
129.09229	7.0
139.11267	2.6
151.11273	1.0
163.16179	0.9
167.10803	1.1
169.12312	3.5
171.10229	5.9
181.12323	6.0
183.13838	3.0
193.12271	3.4
197.11816	14.0
199.13361	6.5
205.97098	1.1
211.13376	21.8
222.25319	1.1
265.21564	1.3
275.20139	2.7
293.21219	21.6
294.21497	1.4
311.22244	100.0
312.22589	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.00571	1.0
59.01375	5.0
70.80439	1.3
70.80753	2.2
71.65794	1.1
98.98956	1.4
99.08164	2.2
113.09743	2.0
127.11257	3.9
129.09206	5.0
134.98456	1.1
139.11279	5.2
145.21643	1.2
149.52289	1.3
155.10767	2.0
169.12294	1.7
171.10243	38.2
172.10606	1.9
181.12325	4.0
183.01181	1.4
183.10190	1.4
183.13792	2.2
185.11835	6.3
193.12303	1.7
197.11778	7.8
199.13382	3.5
201.11308	6.9
211.13373	13.0
212.13692	1.3
275.20145	3.6
293.21259	20.7
311.22260	100.0
312.22696	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	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.18843	0.4
55.73754	0.3
59.01375	1.0
69.21398	0.3
69.21667	3.5
81.93242	0.3
82.34335	0.3
97.06545	0.6
98.20618	0.7
113.09712	0.6
115.07624	1.6
123.45222	0.4
127.07636	0.9
128.08430	0.8
134.57135	0.4
139.11285	0.8
141.09235	0.3
141.20171	0.4
167.14413	4.0
171.10599	0.5
183.13814	2.6
195.13873	12.2
196.14189	0.4
211.13374	1.2
213.14897	1.2
242.15184	0.9
249.22191	0.8
265.21786	0.8
267.23196	0.5
275.20343	0.5
283.22931	0.6
293.21228	8.0
294.21484	0.6
301.69135	0.4
311.22250	100.0
312.22574	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.11969	0.5
57.03433	0.8
59.01387	2.2
70.11288	1.3
80.64407	0.5
82.26678	0.4
97.06612	0.9
108.65308	0.5
123.08177	0.6
125.09725	4.2
128.17398	0.4
139.11290	1.2
141.09189	1.2
141.12842	1.3
142.12508	0.4
143.10855	0.7
146.68266	0.4
153.09163	1.5
155.14430	1.7
155.23410	0.5
157.12386	0.6
167.10692	0.6
171.10281	1.9
199.09633	0.7
200.10477	2.9
249.22203	2.6
265.21698	1.3
267.23245	0.9
275.20279	0.9
293.21228	7.5
294.21527	0.6
300.67834	0.4
311.22256	100.0
312.22617	7.9
322.18954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56955	4.8
54.51084	5.3
59.01354	7.8
61.98830	100.0
71.50658	8.6
92.67818	5.1
110.73698	4.9
142.56296	5.5
157.90475	5.0
181.74237	5.7
234.86156	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	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
54.15159	0.2
59.01389	0.3
59.76221	0.2
70.64607	0.5
70.64965	0.4
77.03980	0.3
93.03439	0.4
108.02106	0.3
121.02952	100.0
122.03284	2.8
151.06360	0.2
178.72108	0.2
180.05733	1.0
181.06592	4.4
197.06081	0.2
225.01955	0.7
225.05560	6.5
226.05920	0.4
240.04337	1.1
255.06569	0.4
268.03799	1.2
269.08102	0.6
283.06046	1.6
298.08456	1.7
313.03479	0.5
313.07178	14.3
313.10745	1.5
313.14478	0.4
313.23816	0.5
314.07538	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	313.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10681	1.2
53.23195	1.0
55.01866	2.4
56.94065	0.9
57.03450	1.4
58.00599	3.5
59.01382	100.0
60.01714	1.0
71.01383	60.1
71.25435	1.4
71.25768	1.2
72.99300	4.1
73.02948	4.0
83.01388	2.9
85.02954	11.5
87.00877	3.4
89.02447	80.4
95.01397	4.1
101.02448	40.1
113.02447	22.5
119.03502	35.3
131.03511	5.0
143.03497	8.0
149.04547	3.2
151.06133	31.2
152.06448	1.6
161.04587	7.5
167.06401	1.0
179.05612	25.5
297.61761	1.1
306.05115	1.0
313.11401	52.0
314.11673	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	313.2378
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.50151	1.0
57.03432	1.2
59.01370	2.6
71.01369	1.8
71.50388	0.9
85.02960	0.9
87.13824	0.8
89.02430	1.5
94.13601	0.8
101.02415	0.9
107.47361	0.8
108.75963	0.8
121.02957	2.1
124.87863	0.8
125.09756	1.1
127.11284	1.6
134.06105	2.0
135.26706	0.7
153.05690	0.8
155.10796	1.8
165.05565	1.0
171.10240	4.5
199.13261	1.0
201.11310	2.0
209.06128	1.4
253.04988	2.0
255.84560	0.8
267.23169	1.1
291.33569	0.8
295.22781	6.4
311.22260	0.9
313.03561	1.6
313.23819	100.0
314.24142	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	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.57833	0.6
55.29896	0.6
56.19141	0.5
58.00592	2.1
59.01377	1.8
61.98846	0.6
63.90582	0.6
70.98463	1.2
71.01379	1.3
72.99295	0.7
82.45302	0.7
83.05029	1.2
89.02434	0.8
97.06612	1.1
99.08155	18.4
100.87432	0.6
101.02435	1.0
102.69126	0.7
107.01321	0.6
111.08165	4.6
117.85297	0.5
121.02939	1.5
127.07677	2.7
129.09209	17.9
130.09557	0.7
151.00412	0.9
155.33632	0.6
158.09782	0.6
172.10548	1.2
174.28250	0.6
183.13892	38.1
184.14233	2.1
195.13976	2.7
201.11298	1.4
213.15031	0.6
241.01405	0.8
267.90573	0.6
270.01569	0.8
277.21808	3.0
295.22684	10.0
296.23151	0.8
300.21906	0.6
311.22446	0.8
313.03564	1.2
313.23801	100.0
314.24139	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	313.2382
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03436	0.9
58.00576	1.4
59.01374	1.5
66.89131	0.6
69.17210	5.2
69.17622	0.9
71.01370	1.1
89.02436	0.9
99.08183	1.1
112.84285	0.6
121.02946	1.7
123.08131	0.6
125.09718	4.3
127.11282	7.4
137.09709	1.1
139.11296	1.8
141.12903	1.4
150.03209	1.2
151.00433	0.6
153.09221	0.8
155.10741	2.1
165.09207	1.8
171.10233	6.6
171.12762	0.5
175.99098	0.5
183.10295	0.8
183.38039	0.5
199.09688	1.3
201.11311	36.2
202.11649	2.0
212.13832	1.3
213.13863	1.2
277.21637	4.0
293.21277	0.7
295.22699	6.0
312.06720	2.1
313.03711	1.2
313.07355	1.7
313.23801	100.0
314.08295	4.9
314.24115	9.6
333.30981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2698
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01361	3.4
69.43474	6.9
78.42247	1.0
78.95887	2.9
93.03443	2.7
94.03789	1.3
98.20657	1.3
104.87792	1.0
136.77496	1.0
152.99564	1.3
187.24121	0.9
196.13762	1.2
245.11073	1.2
268.26508	1.4
270.24338	2.4
296.25995	1.4
300.02603	2.1
314.27002	100.0
315.04913	3.0
315.27966	5.5
333.15271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.8649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
66.92606	0.6
71.49096	0.7
73.18605	0.6
78.95882	0.7
79.95741	0.6
95.01388	0.8
96.95986	1.8
112.98785	1.4
130.76814	0.5
134.96071	5.3
136.94002	16.1
137.94049	1.1
142.74187	0.6
151.92708	2.2
152.91710	0.6
159.01595	0.6
172.88022	0.6
178.95053	9.4
179.95168	0.8
194.92891	0.7
210.98035	0.6
214.32343	0.6
218.92934	0.6
224.36366	0.5
263.84689	0.7
270.87515	4.9
270.92542	1.0
272.85419	100.0
273.85504	7.4
287.84137	22.1
288.84119	1.2
288.88535	7.2
290.86487	30.7
291.86487	2.2
305.85251	1.6
311.83298	0.6
314.86469	97.0
315.86548	6.7
316.84229	1.3
332.87534	12.3
333.87888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61349	0.5
56.17548	0.5
63.02301	5.6
63.02655	0.8
65.00233	2.7
66.39562	0.5
69.45264	3.3
83.01276	5.0
95.01302	0.8
99.08060	0.7
101.70700	0.5
107.01386	11.5
108.02059	1.9
120.02064	0.7
123.00764	0.6
124.01546	1.9
127.07641	0.5
129.05542	0.5
133.02824	0.6
134.03604	0.8
135.00781	1.2
135.04497	0.6
136.01508	0.9
137.02242	0.6
148.01643	5.1
149.99414	1.4
151.00366	18.5
152.00897	0.8
153.05420	0.5
161.02370	0.6
163.00381	3.9
164.01141	5.7
169.01340	0.7
179.03310	0.7
188.04703	0.7
202.02702	0.8
211.03987	1.2
215.03378	1.2
216.04143	1.7
223.66130	0.5
226.02808	0.8
227.03502	4.3
228.04088	0.6
243.03014	2.6
244.03568	0.7
255.02979	3.1
268.71341	0.5
271.02463	6.4
272.03119	1.7
283.02408	3.8
299.02020	1.2
300.02716	77.5
301.03030	6.0
315.05087	100.0
316.05399	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
63.41536	0.6
70.82302	0.9
70.82609	0.6
71.01381	2.4
75.06076	0.6
81.03465	1.2
85.02943	1.7
93.03480	0.9
95.01362	1.0
99.00838	0.6
101.02478	0.9
108.02168	100.0
109.02969	25.1
110.03310	0.5
113.02434	1.2
121.02950	0.9
123.04549	1.3
133.03006	0.9
135.61876	0.6
151.03952	0.8
152.01146	56.4
153.01945	21.1
154.02248	0.9
163.04024	1.6
165.01878	1.5
238.66107	0.7
315.07196	56.6
316.07465	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.61163	0.6
59.01360	0.8
61.63958	0.5
69.80698	1.6
69.81106	0.9
71.01377	2.8
72.33559	0.4
72.33949	0.7
73.02937	0.9
81.03462	0.8
83.01350	0.6
85.02930	1.8
85.19637	0.4
87.00851	0.5
93.03429	0.7
95.01382	1.2
98.20625	0.5
101.02449	0.9
103.00317	1.3
108.02166	100.0
109.02966	30.8
110.03255	0.8
113.02422	1.0
121.02945	1.3
123.00901	0.7
123.04507	1.0
133.02913	1.2
151.03952	1.5
152.01137	70.1
153.01929	28.6
154.02211	1.0
163.03973	1.7
165.01877	1.8
181.05098	0.6
189.22205	0.5
217.20380	0.5
225.03946	0.6
247.70810	0.5
265.71405	0.6
312.67111	0.5
315.07184	79.7
316.07504	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
55.01886	1.8
57.03476	1.3
59.01379	17.4
59.01653	1.2
62.63550	0.6
65.00340	1.3
67.01917	0.8
69.33676	1.8
69.34081	4.3
71.01381	12.7
71.01729	0.9
72.99337	0.7
73.02939	3.6
73.04135	0.9
83.01379	7.8
85.02950	6.6
87.00885	1.4
88.04052	2.4
89.02466	2.4
89.99730	0.7
93.03465	2.5
95.01406	1.0
96.04601	1.0
97.02962	1.5
99.00893	1.9
101.02451	10.0
107.01408	2.1
108.02200	2.4
109.02949	5.2
109.16028	0.7
111.00922	1.0
112.04134	0.8
113.02445	4.3
114.05558	1.6
115.05945	1.3
121.02960	4.0
122.03767	1.5
123.04522	1.0
125.02462	2.2
129.01938	0.9
130.08742	3.8
137.02432	9.8
137.06064	1.5
138.03223	16.1
143.11929	3.3
149.02455	2.6
151.00362	9.6
151.03966	1.1
153.01936	61.7
153.05565	100.0
154.02333	2.0
154.05940	3.8
161.04567	1.4
167.03438	2.5
177.01926	10.6
180.33147	0.6
195.02928	5.9
207.03079	1.8
209.12872	1.0
209.18497	0.8
246.35379	0.6
253.11835	2.2
269.11395	2.0
297.10938	1.3
315.07187	4.0
315.10782	37.4
315.20914	1.8
316.11053	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	315.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21021	0.6
57.50201	0.5
59.01358	1.5
60.84595	0.6
70.79140	1.7
83.05032	2.0
83.82025	0.6
95.04967	0.6
97.02953	1.1
97.06586	100.0
98.06921	2.8
119.05015	1.1
121.02879	0.7
123.08248	1.5
129.07114	1.2
130.04195	0.7
131.05090	0.7
145.06555	1.0
146.03740	2.1
147.04565	1.3
147.08148	1.6
148.05370	1.2
151.00359	0.7
153.05547	1.3
158.03764	1.1
159.04510	7.2
160.05318	1.1
161.06148	1.2
163.07626	9.6
171.04503	0.9
171.08110	1.6
173.06067	13.5
174.03209	2.7
174.06662	0.8
175.04008	0.8
175.07524	1.7
187.03973	5.7
187.07652	1.2
187.13441	1.4
188.04768	21.5
189.05298	1.8
189.09244	3.6
199.07663	3.2
202.06364	0.8
205.08693	1.5
212.78462	0.7
217.08682	64.2
218.08981	5.6
255.03017	0.9
258.04034	0.9
271.13345	1.0
285.07492	0.8
286.12042	1.3
300.02756	1.7
301.06058	1.2
315.05161	3.3
315.08612	0.9
315.12442	1.2
315.15771	8.2
315.93033	0.6
316.08298	0.8
316.16550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.16
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65197	1.2
78.79127	0.4
88.65104	0.5
93.03457	0.6
95.05015	1.7
97.06584	100.0
98.06932	2.5
119.05004	0.5
120.42033	0.4
129.07106	1.5
131.05072	0.8
145.02867	0.9
145.06653	1.1
146.03728	1.8
147.04520	1.1
147.08141	1.6
158.03702	1.3
159.04504	5.6
160.05186	0.6
161.06047	1.2
161.09676	0.6
171.08168	1.3
173.06067	11.6
173.09671	0.5
173.11823	1.0
174.03171	2.0
174.06613	1.0
175.07600	1.4
187.04013	3.7
187.07591	1.0
188.04768	18.6
189.05309	0.6
189.09196	3.9
199.07565	2.2
213.09309	0.6
217.08676	64.1
218.09033	3.9
219.10396	0.8
226.06439	0.6
228.02516	1.4
229.03207	4.0
243.04727	0.7
256.02066	0.8
257.02759	2.9
266.12622	0.5
271.04346	5.3
271.13544	1.3
272.05096	4.1
286.12177	2.2
315.07022	1.9
315.16040	4.9
316.55011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
74.21275	1.1
75.51875	1.1
92.63558	1.0
93.03449	10.7
132.52293	1.0
142.45952	1.0
151.06052	1.0
158.03821	1.3
159.04498	1.0
163.15762	0.9
167.14326	1.2
175.04045	2.2
183.04607	2.0
183.13921	8.3
185.02426	2.1
187.04036	1.3
188.14113	1.0
193.12340	1.7
196.03946	1.6
197.06067	3.3
199.03964	1.2
200.04799	2.3
205.08539	1.3
211.03957	3.5
211.13399	100.0
212.04875	1.5
213.05615	1.6
215.03604	1.1
217.08687	1.9
218.09076	4.4
223.13391	3.4
225.05652	5.2
227.03493	3.7
228.04271	6.0
239.03500	1.8
240.06544	1.9
241.03687	2.2
243.06651	8.9
253.05081	9.2
254.05696	1.4
255.02936	2.8
256.03836	8.1
256.06024	1.8
269.03217	9.3
271.06100	26.8
272.06448	3.1
283.04730	1.1
284.05649	45.4
284.08798	2.2
285.06107	5.0
286.03592	37.1
286.08392	11.1
287.03839	2.9
299.07977	34.9
300.08374	3.0
301.03046	1.2
301.05896	40.8
302.06256	3.2
316.08249	68.1
317.08478	6.1
317.17563	14.6
330.58020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0665
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
57.03444	14.9
59.01376	3.6
63.02385	3.5
65.00320	7.5
67.01865	0.6
67.94951	0.6
69.28772	5.6
71.01385	1.1
78.85768	0.5
80.05059	1.3
81.03474	1.5
83.01382	9.5
85.02956	0.6
92.97610	0.8
95.01389	8.2
98.19802	0.6
107.01371	4.9
108.02167	0.7
109.02922	2.9
111.00875	3.3
113.02417	0.6
122.03769	2.0
123.00865	4.1
124.01655	13.6
124.04059	2.7
125.02441	100.0
126.02755	3.5
137.02431	1.3
139.00401	2.1
146.03743	2.3
148.01656	1.1
149.02438	4.2
150.03224	2.0
151.00359	17.0
152.01143	25.9
153.01901	2.5
163.00328	1.7
163.03957	0.8
165.01904	1.0
168.03023	2.5
169.01392	0.7
171.04523	1.2
172.05290	0.8
178.99831	11.3
185.05956	1.1
187.04015	1.5
188.04787	2.6
189.05434	0.6
190.99852	0.9
192.04257	7.9
199.03969	1.4
199.13368	0.9
201.05617	1.0
206.28027	0.6
206.99202	0.9
207.06563	7.7
213.05672	1.0
213.09154	3.7
214.06326	2.1
215.03517	1.8
216.04254	2.1
218.02124	0.6
224.60249	0.6
225.11215	0.8
228.04283	0.9
229.08673	2.2
229.12323	1.8
230.05917	3.7
231.06584	7.5
233.04355	0.8
245.08188	1.5
249.07600	1.3
256.03705	1.0
257.04605	0.9
258.05362	4.3
271.02441	3.0
273.07617	12.1
274.04840	4.7
274.07465	0.9
284.03192	0.9
289.07156	70.1
290.07443	4.3
299.01956	6.4
299.05521	1.7
300.02350	0.7
317.06604	58.8
317.16086	1.9
318.06845	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	317.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35944	1.3
53.78796	1.4
55.78437	1.6
56.15719	1.3
59.01366	1.6
65.09758	1.2
94.67796	1.3
96.95991	1.9
100.32913	1.3
104.55403	1.3
106.06621	100.0
107.06944	4.3
108.08195	1.7
110.02481	2.9
116.05016	3.2
122.06100	3.4
123.03262	2.8
124.04035	2.6
132.04590	3.3
134.06126	2.9
138.05612	17.8
140.07181	12.7
144.08167	5.0
150.05634	9.0
152.03529	40.1
156.08168	1.5
157.08960	1.5
166.05070	15.0
167.05875	91.7
168.06155	2.2
169.74043	1.6
170.09753	4.0
171.10461	2.0
184.11395	2.8
186.12914	12.1
194.04509	1.7
200.07257	1.7
201.07945	15.8
202.08292	1.6
202.12390	1.5
213.10301	1.7
215.09550	6.7
225.06683	4.1
226.07430	4.2
227.11902	1.5
230.09648	2.7
230.11836	37.1
239.08258	1.4
240.08987	4.7
255.11377	43.5
256.11719	2.9
273.09494	3.1
273.12433	51.2
273.15350	3.3
274.10699	8.2
299.01843	2.2
299.10461	12.4
300.10693	2.1
301.98804	1.5
317.11362	56.3
318.11630	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	317.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62690	0.3
52.80046	0.3
54.20478	0.3
57.54197	0.3
59.01361	0.5
69.03455	0.7
69.41691	2.3
71.89491	0.3
83.04997	0.8
85.02894	0.3
92.19093	0.3
93.02870	0.7
93.03461	13.8
152.12883	0.4
159.04543	0.7
160.04500	0.3
167.14392	0.8
183.13901	7.3
184.14351	0.4
193.12360	2.3
194.12756	0.5
195.13860	0.4
211.13388	100.0
212.13737	5.6
223.13361	3.2
317.08585	0.7
317.13834	0.8
317.17593	15.5
317.20944	0.7
318.17755	2.0
328.88898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61557	0.3
57.03419	0.5
61.14505	0.3
69.03452	0.5
69.54769	1.8
93.03460	10.5
117.61578	0.3
160.65259	0.3
167.10783	0.3
167.14383	0.5
183.13896	8.0
184.14198	0.4
193.12332	1.9
199.13071	0.3
211.13385	100.0
212.13737	5.2
223.13402	2.8
224.13698	0.4
269.83780	0.3
272.06396	0.4
285.06018	0.5
287.03809	0.8
288.97766	0.4
300.08578	0.7
302.06436	0.7
317.08490	1.3
317.17575	12.2
318.17834	1.1
325.59204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.39695	0.9
56.76617	0.8
57.03425	1.1
58.00583	2.5
59.01376	74.5
69.83503	3.9
70.10913	0.9
71.01375	41.9
72.99292	2.7
73.02945	1.5
74.02449	2.4
82.93681	0.8
83.01376	3.1
84.00886	1.0
85.02937	8.2
87.00848	2.1
89.02437	38.9
93.03447	2.5
95.01385	2.7
99.00883	1.7
99.22063	0.9
101.02438	27.8
103.70284	0.9
112.04033	1.2
113.02439	15.7
115.00409	0.9
119.03488	14.8
130.00436	0.9
131.03493	1.3
134.03278	1.0
138.05600	21.9
140.07179	0.9
143.03468	1.5
155.03548	1.0
156.05476	1.3
156.06656	15.1
161.04533	2.0
179.05592	2.3
200.14066	1.4
221.04559	1.7
222.04947	1.5
244.10744	0.9
244.13037	2.5
274.14063	1.9
300.10944	1.2
318.11880	100.0
319.12244	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	319.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01379	8.3
65.30610	0.5
69.56122	0.5
71.01373	0.8
71.02220	1.1
71.05012	4.6
73.06583	1.4
83.05020	1.5
89.56963	0.5
95.63110	0.5
99.08150	18.3
100.08489	0.8
101.06075	14.8
127.07646	19.7
128.07996	0.6
129.05571	76.9
130.05910	2.0
145.08705	2.4
147.06622	81.7
148.06979	1.7
171.06619	4.0
189.07663	100.0
190.08043	3.7
220.74533	0.5
306.10672	0.6
319.14008	8.9
320.14038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76940	0.5
58.02977	7.4
59.01369	1.8
69.62508	3.0
70.49696	0.5
71.02556	0.7
72.00903	6.1
73.64113	0.6
82.06638	3.2
86.42056	0.5
91.05536	15.6
91.06066	1.1
94.06607	0.6
103.05538	1.5
112.07691	3.3
116.05064	1.0
118.06652	3.8
126.09257	2.0
129.10347	82.4
130.10689	2.2
136.27074	0.6
141.10370	1.2
147.04529	29.4
153.10327	5.0
154.08730	12.6
164.07164	77.5
165.07483	2.4
171.11395	62.6
172.11736	2.7
183.11444	0.6
216.13902	1.8
233.16580	42.7
234.16933	3.2
275.17621	6.1
277.15588	2.6
286.78693	0.7
319.16617	100.0
320.16946	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56828	0.5
55.28935	0.4
55.46520	0.4
57.03433	1.0
58.00588	2.9
59.01380	14.4
60.10320	0.4
69.03460	0.6
70.90790	0.5
70.91105	0.9
71.01379	2.3
72.94822	0.6
72.99287	1.5
73.02946	7.4
76.81320	0.5
85.02947	0.8
86.00057	0.7
97.06609	0.7
100.01680	1.0
104.68384	0.5
107.05042	0.7
121.06454	0.4
125.06044	0.8
139.07635	1.4
153.12781	0.7
176.19974	0.7
205.19576	1.1
224.14191	0.7
250.15659	1.2
261.22229	0.6
263.23788	0.9
273.22214	1.7
291.23334	4.2
319.22763	100.0
320.23105	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	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
57.92787	0.5
58.00593	3.2
59.01382	13.8
69.03442	0.6
69.55865	0.7
69.61423	3.3
69.90477	0.6
71.01373	2.4
72.99306	1.9
73.02950	11.4
83.01422	0.5
83.05029	1.2
84.02168	0.9
84.31085	0.7
85.02937	1.3
97.06612	1.6
98.19984	1.0
101.67830	0.8
107.04996	1.0
109.06612	0.7
111.08141	1.0
125.06083	1.7
127.07673	0.7
139.07626	2.0
167.14368	0.7
214.13959	0.7
224.14177	0.7
250.15826	1.6
255.21007	1.6
259.20627	0.9
261.22235	2.1
263.23761	1.9
273.22226	5.1
289.21829	0.8
291.23303	10.2
301.21814	2.2
319.22757	100.0
320.23123	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	320.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26062	0.3
59.01382	2.1
70.16620	0.9
71.01392	1.5
76.47551	0.3
79.57935	0.3
80.52725	0.3
84.00907	0.9
85.02950	0.4
89.02444	0.8
101.02414	0.5
110.02473	2.0
112.04027	0.3
113.02506	0.3
117.22737	0.3
120.33095	0.3
123.04530	0.3
124.04046	0.8
130.96739	0.3
136.07681	0.7
138.05606	0.6
140.07175	100.0
141.07535	3.4
148.24281	0.3
152.07188	0.5
153.04320	8.2
153.05415	0.3
154.08739	8.0
156.10254	0.3
161.04530	0.6
164.07172	0.7
167.05862	2.4
180.06665	0.4
182.08215	31.3
183.08585	1.5
200.07480	0.5
200.09290	8.3
201.09402	0.5
282.12857	0.4
302.12439	4.4
303.13083	0.6
320.13492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01385	2.3
62.89008	0.4
64.96071	0.3
71.01369	2.0
73.02947	0.6
84.00914	0.5
85.02943	0.8
89.02438	0.5
93.03467	1.4
94.03779	0.7
97.06581	0.5
98.19949	0.7
99.00886	0.5
101.02430	1.2
106.95989	0.3
110.02491	1.9
112.04047	0.4
112.79541	0.4
113.02476	0.5
113.99610	0.8
115.00396	1.0
115.04018	0.4
124.04046	1.3
125.06049	0.4
133.89780	0.3
136.07698	0.6
138.05588	0.9
140.07176	100.0
141.05655	0.4
141.07568	3.1
153.04321	9.0
154.04674	0.4
154.08749	7.9
158.08168	0.4
161.04602	1.0
164.07106	0.6
167.05894	2.4
175.02539	0.5
182.08218	33.6
183.08640	1.8
200.09286	9.1
222.04846	3.8
282.06866	0.5
302.12439	4.0
303.13507	0.5
320.10150	0.5
320.13525	1.2
321.10922	0.4
321.15869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78564	9.6
53.85944	10.3
54.18877	12.4
59.01383	76.4
61.98815	27.8
69.85706	8.8
71.01359	17.6
71.48560	11.5
72.50872	8.8
87.92497	14.8
91.44523	9.5
103.59850	10.1
103.91998	12.5
122.89400	17.3
142.87575	18.4
144.87198	34.6
144.95860	12.3
146.86668	20.1
148.36423	9.5
157.86285	11.9
160.84212	66.2
162.83965	69.5
162.91139	27.3
178.88362	11.3
186.85573	28.7
186.88345	15.5
188.94875	41.5
190.85345	10.7
224.50931	11.3
224.91550	31.4
266.92557	100.0
274.68341	11.9
320.89929	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	321.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	56.3
69.38374	7.5
69.38781	20.3
71.01376	44.8
72.00563	4.0
72.00900	25.2
72.99329	5.7
73.02957	8.9
78.95892	7.6
85.02956	14.5
87.00871	5.4
89.02459	11.5
97.06595	11.4
99.00884	4.8
99.04485	5.0
101.02457	16.8
102.75565	4.0
113.02409	14.0
135.96707	4.7
140.38693	4.3
141.05597	13.9
141.07321	4.2
141.98221	7.2
143.02054	4.1
147.04523	63.5
159.06636	13.6
161.04530	10.0
164.07156	100.0
175.80997	3.9
268.10925	4.0
317.92627	4.2
321.08319	8.8
321.11893	40.3
322.06073	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.0
59.01378	16.4
59.71725	0.9
61.83046	0.9
71.01382	8.7
71.23907	1.6
71.60562	0.8
74.73517	0.8
78.18944	0.8
83.01368	0.9
83.05003	0.8
85.02986	1.0
89.02436	7.9
99.08145	1.0
101.02422	1.7
119.03493	1.3
127.07645	100.0
128.08009	3.2
141.09160	1.0
145.08705	2.7
147.80066	0.9
149.04564	1.8
157.16083	1.0
171.06615	70.8
172.06992	2.6
277.12814	1.6
321.11942	46.9
321.15570	6.4
322.12424	2.4
333.76581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03434	1.0
58.00587	1.3
58.98823	0.9
59.01064	1.6
59.01373	25.8
66.59250	0.8
69.15064	3.6
69.15490	5.7
70.20798	1.1
71.01375	29.8
72.99306	1.0
73.02942	6.6
75.55346	0.9
81.50424	0.9
82.02996	1.0
82.06617	1.5
83.01374	3.9
85.02944	10.5
86.92573	0.9
87.00867	1.7
87.05618	1.2
89.02441	14.9
95.01363	2.3
97.06546	1.6
97.75182	1.1
99.00876	2.4
101.01805	1.4
101.02446	21.1
106.06629	1.9
108.04528	2.4
110.02478	1.6
110.06099	3.0
113.02438	10.8
119.03484	5.5
121.05334	1.4
122.06124	9.0
134.06102	16.6
135.06921	8.2
135.95313	0.9
136.07686	6.7
137.04785	2.4
138.05602	4.4
140.07169	30.6
141.07500	1.4
143.03459	1.4
149.04797	5.7
150.05634	5.3
152.03522	2.8
152.07155	4.4
159.03189	7.1
159.06694	1.0
159.10315	2.4
160.04030	46.0
161.04579	10.8
162.05614	15.4
163.06322	1.3
164.03532	11.3
164.05875	1.5
164.07138	17.4
166.05092	9.7
167.05905	7.0
178.05081	1.1
179.05623	1.1
191.11749	0.9
199.41286	1.0
230.11816	1.6
245.09163	1.6
261.12302	4.7
273.12338	3.6
275.13840	0.9
285.12534	1.4
303.13474	100.0
304.13766	8.8
321.15021	13.1
322.09286	9.1
322.14240	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	321.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.0
69.13451	0.8
69.13779	3.5
69.14199	6.5
71.01367	3.2
84.04549	1.2
94.06603	2.2
97.01678	1.1
99.08145	1.1
99.26380	0.8
101.02460	1.4
112.04031	10.0
121.05314	2.0
122.06133	6.1
123.03262	4.3
123.06911	1.2
124.04024	11.2
124.07677	6.2
126.86897	0.9
127.07607	1.3
134.06088	3.4
135.03006	1.9
136.07674	100.0
137.06078	11.4
137.07968	3.6
138.05602	28.0
138.09236	13.3
140.07184	4.4
174.82283	0.9
177.52655	0.9
182.04543	2.4
184.06128	18.5
185.74908	0.9
216.13895	1.5
218.34880	1.0
230.58026	1.0
259.14520	20.0
260.67340	0.9
264.91663	1.0
303.13525	2.9
321.11145	1.0
321.14499	6.3
321.17984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26832	0.8
59.01377	100.0
61.94001	0.7
69.15556	2.2
69.15977	7.4
71.01381	4.9
73.02908	0.8
74.08981	0.8
80.12730	0.8
85.02955	1.5
89.02429	3.9
101.02439	2.7
112.03999	1.3
113.02439	2.3
119.03520	1.2
136.07677	11.0
138.05557	2.1
138.09200	1.4
141.04930	0.9
184.06161	1.2
188.69853	1.1
233.79503	1.0
259.14407	2.4
321.15063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2068
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	1.4
61.98833	0.9
63.32895	0.6
70.06749	3.1
71.01372	1.6
73.05272	0.6
79.79521	0.7
85.02918	0.7
85.75410	0.7
95.74485	0.7
96.95996	0.8
103.04015	1.1
105.01507	0.7
115.06555	0.7
141.01942	0.9
153.68919	0.6
213.77110	0.7
237.76634	0.8
258.91129	0.7
308.62589	0.6
321.08188	2.3
321.20679	53.6
322.20947	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
51.53950	0.7
59.01375	4.3
64.56589	0.7
70.17264	0.8
71.50893	0.8
78.95923	4.3
79.95767	0.8
80.96528	7.6
95.26078	0.7
113.09770	0.9
207.17436	1.5
223.17024	13.1
224.17650	2.2
233.15442	2.3
239.16624	1.2
251.16522	14.3
252.17029	1.7
256.16776	3.5
267.15948	0.9
272.05054	0.9
284.16257	3.3
303.23279	9.4
321.24356	100.0
322.24673	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	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.74457	1.1
57.03439	1.2
58.00583	3.6
59.01376	100.0
67.99725	1.2
70.18752	0.9
70.70380	2.0
70.70705	1.3
71.01380	50.6
71.01782	2.4
72.99300	4.4
73.02943	1.9
74.62245	1.0
83.01379	3.0
85.02956	9.4
87.00886	2.1
89.02440	46.6
95.01386	3.5
100.88965	0.9
101.02438	27.4
112.46167	1.0
113.02451	19.8
116.04236	2.2
116.05056	36.7
117.05417	1.3
119.02671	1.5
119.03497	17.3
119.04838	1.2
131.03459	2.6
143.03470	2.8
144.04514	1.4
160.04031	58.3
161.04431	4.5
172.06371	0.9
179.05568	3.4
202.05096	29.4
203.05367	1.5
232.06049	5.1
262.07181	38.3
263.07504	3.4
322.09271	53.7
323.09634	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03432	1.3
59.01379	10.5
69.13732	7.4
70.01627	0.8
70.97139	0.8
71.01374	2.3
71.05025	1.2
72.83821	0.7
79.05553	0.9
80.02677	2.2
81.03454	2.5
83.01394	0.8
83.05022	7.7
84.02165	1.3
85.02946	1.1
95.04999	1.9
96.95995	1.0
97.02954	1.2
97.06581	2.9
98.19841	1.3
99.04518	1.6
106.04244	0.9
106.75970	0.7
107.05022	13.6
108.15179	0.8
109.06588	2.0
110.03706	1.5
111.04576	0.8
113.02466	1.0
113.06094	2.1
121.02945	1.5
122.03775	0.7
123.04532	1.2
123.08091	1.2
125.02445	2.9
125.06078	3.8
125.09727	10.5
131.08459	0.8
135.08150	6.0
137.06186	0.9
153.09206	16.1
153.36957	0.8
161.09702	1.0
163.11292	7.0
165.12805	3.1
171.10266	1.0
176.08353	3.2
177.09235	1.0
178.10019	4.1
181.12343	2.5
183.81740	0.8
185.11862	2.4
191.10750	1.7
197.11806	13.0
207.10202	7.4
207.13849	0.9
209.11809	100.0
210.12169	6.3
214.69104	0.8
225.11282	6.1
236.10555	3.6
237.15082	0.9
243.17570	1.5
251.16649	1.1
253.10803	1.6
254.11604	1.8
261.18542	6.3
263.16449	1.9
269.15421	1.7
277.18002	2.1
279.19568	2.8
287.16501	9.2
288.16785	1.4
305.17575	80.0
305.20822	3.1
306.17865	8.1
323.18677	12.9
323.22186	1.1
330.77435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.45896	1.1
55.01863	1.2
57.03431	2.1
59.01073	1.6
59.01374	29.2
67.16006	1.2
67.31201	1.1
69.03463	1.6
69.25563	8.5
71.01371	6.9
71.05013	3.1
73.02934	2.1
80.02691	1.8
81.03454	3.8
83.05022	8.1
84.02156	1.8
85.02949	4.3
89.02460	3.9
93.03445	1.5
95.04989	6.9
96.95992	3.0
97.02934	1.6
97.06591	7.1
98.19888	2.5
99.00874	1.5
99.04507	1.7
101.02419	2.8
107.05012	14.9
109.06582	4.4
110.03728	2.5
111.08113	1.9
113.02431	3.7
113.06076	4.0
115.07542	1.3
123.04534	1.9
123.08159	3.1
125.02451	3.6
125.06070	4.1
125.09702	11.5
135.08138	6.5
148.13345	1.1
151.38635	1.1
153.09198	17.9
161.04530	2.0
163.11307	8.2
165.12846	4.5
171.10287	1.7
174.95488	1.2
176.08351	3.5
178.09982	3.4
181.12325	3.8
181.60320	1.3
185.11804	3.9
191.10742	2.6
197.11823	13.7
200.36105	1.3
207.10258	9.9
209.11807	100.0
210.12148	8.0
211.13304	1.7
225.11331	9.8
236.10455	3.7
243.17369	1.6
253.10818	2.0
261.18469	6.5
262.18967	1.3
277.18103	2.0
279.19571	4.8
286.48822	1.2
287.16513	10.7
305.17560	86.4
306.17981	8.1
323.09357	2.9
323.18576	30.8
323.21872	1.8
324.19037	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.83323	1.2
57.03442	1.8
59.01374	27.3
69.79796	1.2
71.01374	6.5
71.50922	2.5
73.02937	1.9
83.01427	1.3
85.02952	2.9
87.51501	1.3
89.02464	2.4
96.96001	2.6
101.02428	3.6
111.00874	1.7
111.08134	1.8
113.02434	6.1
125.09665	2.9
126.02274	1.3
127.71646	1.4
129.36392	1.3
131.03484	1.5
152.57327	1.2
153.09091	1.6
161.04524	2.7
165.12846	7.9
191.14317	1.6
193.12268	2.9
197.11858	1.9
209.11823	2.6
217.15948	1.8
218.10127	1.4
237.14906	2.2
242.02522	1.4
247.20676	4.0
265.14743	2.0
273.18631	4.6
279.23297	2.2
291.19635	96.1
292.19891	7.3
305.21280	4.1
308.19843	6.1
309.20215	1.9
323.16748	9.2
323.22235	100.0
324.22607	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.55851	1.1
57.69733	0.9
59.01376	23.4
69.03442	1.2
70.98314	1.8
71.01362	5.1
71.05002	1.7
81.03436	1.2
85.02946	2.6
89.02448	2.4
96.52492	1.1
101.02444	2.1
113.02422	4.0
113.11288	1.0
123.04552	1.5
123.08151	1.0
125.09726	5.4
127.07586	1.3
131.67189	1.0
156.04233	1.2
161.04527	2.8
163.11302	3.8
165.09227	1.9
177.12782	1.6
181.12305	3.4
193.29805	0.9
197.11832	5.6
211.18513	1.1
221.11818	3.0
233.15501	4.2
239.12819	4.1
252.56876	1.2
261.22281	2.1
273.18604	1.8
291.19632	14.6
305.21201	48.9
306.21613	4.1
307.19016	1.4
308.19800	6.4
323.09561	2.7
323.22244	100.0
324.22537	8.9
340.18967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
63.37235	0.7
70.05854	1.6
70.06264	1.2
76.69083	0.7
77.69325	0.7
79.95743	1.9
119.04995	1.8
143.46669	0.7
159.85431	0.8
170.00484	1.4
183.01199	50.4
184.02028	2.5
197.02725	3.7
216.00945	2.8
225.05864	0.9
238.90654	0.7
239.07509	1.0
310.02850	0.7
324.17044	0.9
325.18402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.95916	1.8
59.01389	10.2
68.41906	1.5
69.54469	11.1
69.54771	3.1
71.01382	18.2
71.29616	1.8
73.02944	2.9
74.94109	1.8
85.02941	3.3
87.00874	10.2
87.04480	1.9
89.02438	3.1
98.20569	3.4
101.02436	9.2
113.02433	3.4
119.05031	100.0
120.05349	2.3
124.51891	1.9
133.05074	85.4
145.02882	1.9
159.79733	1.7
163.04021	58.9
163.06049	11.8
164.04326	2.7
172.54596	1.6
183.80756	1.6
265.05338	2.0
284.14209	2.1
325.07547	2.2
325.11261	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0923
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01372	3.3
93.03458	0.7
98.19881	1.0
108.55003	0.3
113.02390	0.3
119.05021	100.0
120.05354	4.2
124.40746	0.3
130.17216	0.3
163.04001	72.0
164.04370	3.4
187.04234	0.3
191.77490	0.3
205.04987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0925
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
57.55056	0.6
59.01366	1.1
69.99545	1.1
69.99946	1.7
100.48455	0.6
117.03450	2.0
119.05022	100.0
120.05384	3.7
142.17122	0.8
143.61000	0.6
145.02943	8.1
163.03999	78.5
164.04276	3.1
275.08984	0.8
303.01181	0.6
307.83493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.68771	0.4
55.76056	0.3
56.78086	0.4
59.01381	1.1
66.09250	0.3
69.73438	1.9
69.73856	0.6
71.01399	0.5
93.03490	0.5
94.64715	0.3
96.36012	0.3
104.44131	0.4
116.01633	0.3
117.03471	1.3
119.05023	100.0
120.05349	3.5
123.42928	0.4
138.61749	0.3
145.02943	5.0
163.04001	73.4
164.04335	3.3
325.09317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.3
59.01380	18.9
61.75788	2.0
71.01374	4.7
71.04979	1.9
71.50855	3.0
85.02925	3.2
93.85786	2.1
99.08163	54.5
101.02434	3.4
118.97653	2.5
119.05002	9.4
119.08654	3.6
125.09737	3.0
126.89952	2.3
127.07658	42.4
129.05579	89.1
145.08696	4.0
153.05594	16.0
153.09192	3.4
163.04008	10.8
163.06143	2.3
171.06583	8.4
171.10268	10.2
185.11813	2.7
189.07686	100.0
190.07941	3.3
203.10846	3.0
209.11714	5.3
221.11765	2.9
289.18106	24.0
307.19131	13.6
324.52142	2.0
325.11118	4.9
325.20135	10.3
338.26010	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	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44429	0.8
59.01377	100.0
60.01725	1.0
61.98830	10.9
70.66418	1.0
71.01379	5.4
71.19968	1.5
73.02955	1.5
83.01411	1.2
84.91319	1.0
85.02968	2.5
89.02454	2.7
101.02450	4.7
113.02438	2.1
119.05029	30.0
120.05366	1.7
125.02478	1.0
134.04723	17.4
145.02963	1.6
161.04530	4.4
163.03998	22.3
163.06082	1.3
164.07111	1.3
202.93590	0.9
205.94135	1.0
265.12830	6.9
325.03543	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	325.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71732	0.2
64.86998	0.2
67.33193	0.2
69.78812	1.5
79.95764	1.4
119.05022	1.5
170.00336	1.4
174.92650	0.3
183.01205	54.1
184.01762	3.5
197.02789	3.2
198.03523	0.6
211.04317	0.4
216.00964	1.3
225.05885	0.9
239.07542	0.9
261.22272	0.4
325.18414	100.0
326.18753	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01275	3.2
69.18675	4.0
69.19098	2.8
71.01299	1.1
75.72807	0.6
97.06493	1.0
121.02951	3.9
122.03738	4.5
123.04431	1.0
125.09709	0.9
135.04425	0.8
136.05165	2.1
149.26964	0.7
164.08321	1.4
165.12788	1.4
167.14409	4.0
168.04213	1.5
183.01091	1.5
193.15909	3.7
207.17484	3.4
231.17525	2.0
233.15555	1.4
233.30118	0.7
249.18585	33.6
250.18874	2.5
267.65683	0.7
275.16519	26.5
276.16827	2.2
281.21182	6.6
293.17590	100.0
294.17886	9.2
307.19208	4.5
325.20233	63.8
325.23511	2.5
326.20593	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.9
59.01377	15.3
66.32201	1.3
69.03456	5.5
71.01376	6.9
71.05020	10.4
73.02952	3.1
79.35856	1.1
80.02670	4.2
81.03442	1.6
83.05025	6.6
84.02167	2.5
85.02940	2.7
85.06577	4.1
87.04508	2.9
91.05540	3.0
93.03442	1.7
95.05028	3.2
97.02957	7.6
97.06597	7.0
101.02431	1.5
101.06114	1.0
106.04241	1.4
107.05013	3.0
109.02926	1.5
109.06590	37.5
111.08167	2.7
113.06070	1.5
115.07658	1.3
119.05034	23.4
123.08138	1.2
125.06084	4.2
125.09744	1.9
127.07608	5.1
150.49637	1.0
151.11307	2.5
153.09209	1.4
153.12822	2.6
155.10826	1.6
163.04012	16.3
165.12819	1.6
167.10773	1.9
169.12309	8.0
171.10268	3.9
175.11200	1.7
177.12976	1.3
179.10735	1.6
181.12358	7.0
183.13914	4.4
185.11784	2.4
193.12335	4.0
195.13837	1.5
197.11819	71.8
198.12141	3.8
199.13405	4.8
209.11798	10.6
211.13377	42.0
212.13724	2.2
213.11295	3.1
223.13295	1.3
227.12872	4.3
229.51486	1.2
235.13312	3.9
237.14922	8.2
244.05984	1.3
245.19141	1.3
249.14911	3.0
281.21231	1.8
289.18173	7.5
289.82837	1.2
290.18655	1.2
307.19095	13.6
308.19376	1.5
325.20190	100.0
326.17105	1.4
326.20465	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03448	3.6
58.00572	4.4
59.01369	9.5
62.38660	1.8
69.03429	2.6
71.01380	3.4
71.19811	3.6
75.29578	1.7
79.86615	1.7
88.53139	1.6
93.03468	3.6
94.07870	1.7
95.05016	2.9
97.06567	5.0
99.08151	2.1
105.23019	1.8
109.02977	4.4
109.06608	1.9
112.69499	2.3
113.06071	6.5
115.07639	12.0
119.05017	2.6
121.02927	1.7
125.09714	8.7
127.07674	13.4
135.31363	2.0
141.09204	6.0
151.11288	27.8
153.09166	4.9
153.12827	20.2
155.14391	2.2
163.03999	3.1
165.12813	4.4
171.10245	7.1
177.09262	1.9
181.12347	3.6
183.13922	3.9
197.11783	33.3
199.13356	31.7
201.11234	2.6
209.11841	10.3
210.12047	2.0
211.13309	4.3
215.12878	27.1
219.10303	1.7
219.64352	1.9
227.12866	100.0
228.13145	5.1
229.14417	75.5
230.14703	3.4
245.19162	1.8
263.20181	14.8
264.20419	2.0
267.19479	1.9
269.21155	3.4
281.21194	14.6
289.18024	4.4
297.20660	7.7
307.19070	25.4
308.19269	2.2
310.08063	4.6
325.10657	5.2
325.14392	2.7
325.17294	1.9
325.20270	26.4
326.20667	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.88156	0.3
57.03432	1.3
58.00584	0.8
59.01375	2.2
69.03436	0.9
71.01378	4.9
71.05001	0.9
71.50837	0.5
73.02948	0.6
80.02691	1.7
81.03447	1.5
82.22583	0.4
83.05022	6.9
84.02155	3.9
84.05351	0.4
84.43176	0.4
85.02941	1.5
91.44189	0.3
95.05001	1.4
97.02942	0.5
97.06580	2.5
98.03709	0.4
99.08147	2.8
109.06595	1.5
111.08158	0.9
112.05267	0.5
113.06084	0.5
115.07641	2.1
119.05016	1.0
122.03634	0.4
123.04530	0.4
123.08125	0.5
125.06061	1.1
125.09732	2.7
127.07642	13.9
128.07948	0.4
135.04538	0.5
135.08150	1.1
137.09700	0.9
139.07649	3.3
141.12874	0.9
147.05888	0.4
153.09192	0.7
153.12770	0.4
155.10727	2.7
156.52821	0.4
163.03926	0.6
163.11287	5.5
165.12859	3.0
171.10239	1.7
178.10025	2.3
179.10684	0.7
181.12344	0.8
185.11807	15.7
186.12129	1.0
191.10753	2.4
191.14441	0.4
193.12376	0.6
195.10271	0.6
197.11810	14.6
198.12099	1.0
207.10178	0.9
209.11801	100.0
210.12160	6.0
211.13333	0.6
225.11163	0.4
227.12846	4.2
236.10471	1.1
237.11406	0.6
238.12059	5.9
239.16466	1.2
245.19009	1.8
251.16550	0.9
253.17996	0.7
255.12221	0.6
256.13126	3.3
265.18091	0.9
279.19577	1.0
281.21188	1.0
289.18048	6.1
307.19113	72.7
308.19485	6.5
325.20184	22.8
325.23465	0.8
326.20560	2.7
339.60095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03427	1.7
59.01403	1.5
71.01389	8.7
71.05035	2.9
71.05393	3.1
81.03445	1.7
83.05024	5.7
84.02178	3.7
95.05007	2.0
97.06596	3.5
99.04523	2.3
99.08150	3.7
112.05261	2.4
115.07667	2.3
121.79533	1.5
125.06053	1.8
125.09721	6.5
127.07664	15.9
135.08168	4.0
139.07651	4.8
153.09195	17.5
155.10788	3.7
163.11243	3.2
165.12926	2.1
168.07175	1.5
171.10248	20.2
178.09978	3.7
180.32428	1.8
185.10432	2.2
185.11826	18.2
191.10701	1.5
197.11790	19.9
209.11821	88.8
210.12125	4.4
211.13373	2.1
236.10188	1.6
238.12119	6.2
245.19025	2.4
256.13141	4.7
289.18097	11.7
307.19144	100.0
308.19379	10.9
325.20163	45.0
326.20648	2.9
343.57590	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.41114	0.6
59.01376	1.2
69.15924	5.8
72.18525	0.5
79.95752	1.3
91.13080	0.4
94.92322	0.4
98.19933	1.0
113.20035	0.5
119.05021	0.9
149.09720	69.3
150.10114	2.7
157.77460	0.5
163.11288	77.1
164.11589	3.8
170.00462	1.5
183.01208	51.2
184.01939	7.4
197.02765	2.1
198.03363	0.6
216.00948	3.7
217.97371	0.5
239.07443	1.0
249.54086	0.5
261.22293	0.8
265.25287	0.9
325.18353	100.0
325.21765	61.6
325.26855	2.8
326.18671	10.5
326.22104	8.1
332.14328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.087
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
68.10995	0.6
93.03458	30.0
94.03795	0.8
96.99313	5.5
117.03469	3.1
119.05024	27.3
121.02888	0.6
123.04507	2.4
129.38503	0.8
130.04210	2.4
131.05022	7.8
133.02956	6.2
137.02472	1.4
143.05022	24.5
144.05351	1.3
145.02950	4.5
145.06526	1.5
159.04469	1.5
163.03979	13.4
169.97231	0.7
171.04501	3.0
211.07675	8.5
219.08171	1.3
222.06883	0.8
222.10146	0.6
223.07553	1.5
234.41194	0.6
235.07622	5.5
237.09180	8.6
239.10751	0.8
264.07831	1.1
265.08667	26.2
266.08978	1.5
283.09641	2.7
309.07629	6.7
310.07983	0.7
327.08713	100.0
327.35867	0.7
328.09030	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
58.49136	0.6
59.01378	4.5
65.11807	0.6
65.60265	0.7
68.65961	0.6
70.22450	0.6
71.01361	1.0
71.10675	1.7
88.27274	0.6
93.03456	36.5
96.99306	8.0
108.02203	0.7
117.03432	3.4
119.05025	30.8
120.05389	0.9
121.02964	1.2
122.99180	0.7
123.04549	5.4
128.14629	0.7
130.04227	2.7
131.05023	7.7
133.02934	6.5
143.05029	29.1
144.05397	1.4
145.02943	5.6
145.06567	1.5
147.04568	0.9
159.04488	1.4
163.04002	12.3
171.04483	2.8
171.10278	2.9
210.06795	0.9
211.07651	8.6
211.13425	1.3
212.07935	0.8
219.08099	1.2
221.09674	2.3
223.07579	2.5
229.14423	1.3
235.07668	5.5
236.07980	1.1
237.09187	7.6
238.09430	0.7
239.10858	1.1
247.07803	0.7
255.17149	0.7
258.06061	0.6
263.07120	1.1
264.07831	1.0
265.08676	27.2
266.08966	3.3
283.09863	1.0
309.07678	8.3
310.08197	0.8
312.10385	0.7
327.08725	100.0
327.21671	10.7
328.09149	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01869	0.5
56.25499	0.5
59.01380	17.9
71.01381	2.0
71.50918	0.6
72.21575	0.5
73.02985	0.6
74.80171	0.4
77.87407	0.6
89.02467	0.6
93.03461	10.7
101.02475	1.0
104.89454	0.6
107.05030	0.5
109.02945	1.4
111.08333	0.5
113.02426	0.7
119.05029	16.6
121.02972	1.9
121.06593	7.6
123.04505	1.5
131.05045	1.2
132.05803	0.7
133.06592	2.3
143.05029	2.1
145.06615	1.1
146.03737	1.5
147.04477	1.6
149.02437	7.8
150.02808	0.7
163.04002	7.4
164.04704	1.9
165.05569	100.0
166.05916	4.6
211.07625	7.5
217.00620	0.5
221.09669	0.6
223.07620	0.6
223.13434	2.4
237.09171	2.3
239.10750	4.9
265.08627	2.7
268.07452	0.9
280.07358	0.7
283.09744	9.5
297.07629	1.3
312.10071	4.2
327.08774	15.2
327.12280	3.5
328.09094	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.0
66.30611	1.8
71.01379	31.0
71.26817	2.5
73.02560	3.3
73.02944	51.6
81.03462	1.7
83.01392	11.8
85.02956	3.9
89.02442	7.6
93.03451	32.8
96.99319	3.3
101.01798	3.0
101.02441	39.4
105.08748	1.8
113.02456	12.2
117.03469	3.0
119.05026	87.7
121.02965	4.2
123.04539	4.9
123.97403	1.9
131.03510	2.3
131.04996	6.4
132.05788	2.0
133.02896	2.1
143.05025	17.6
145.02885	3.0
145.06592	3.0
149.02435	6.6
149.04514	3.8
161.04535	9.1
163.04001	33.4
165.05569	2.3
171.04538	3.1
176.14175	1.7
195.08154	2.6
211.07603	6.0
221.06551	2.2
221.09685	3.4
223.07692	3.8
235.07603	4.6
237.09238	16.8
239.10742	9.7
265.08661	23.9
266.09103	2.7
283.09741	24.1
284.10388	2.1
297.55957	1.9
309.07608	8.6
312.10114	2.8
327.08710	100.0
328.09021	11.7
331.87918	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46367	1.3
58.00593	1.4
59.01380	33.9
66.99438	0.9
71.01377	18.0
71.50570	1.4
72.99318	2.5
73.02944	5.2
73.54589	1.0
74.76248	0.9
77.40140	1.3
80.02689	0.9
81.03470	1.3
83.01324	1.2
85.02953	4.4
87.00884	1.8
89.02441	12.5
93.03462	28.2
94.03776	1.4
95.01407	2.1
96.99330	4.3
101.02438	12.8
103.05509	2.3
107.05001	1.7
108.02148	1.3
113.02441	7.6
117.03471	2.7
119.03537	5.1
119.05025	92.7
120.05372	4.3
121.02963	5.2
121.06570	2.2
123.04538	15.2
124.04861	1.1
124.83233	1.0
131.05029	6.0
132.05803	2.9
133.02969	4.6
133.06587	1.5
137.02290	1.1
143.05031	18.2
145.02960	3.3
145.06598	5.4
147.04520	64.1
148.04861	2.0
149.02472	1.3
163.04004	38.3
164.04404	1.6
165.05553	11.7
171.04543	2.5
176.04802	2.1
177.05533	1.6
181.06570	1.2
195.04518	3.2
195.08180	1.4
197.06093	1.2
209.06065	3.0
210.06953	1.2
211.07628	6.2
211.09352	1.1
221.09761	2.4
222.06779	2.9
223.07610	4.2
224.08362	2.4
235.07532	6.5
237.09183	24.8
238.09706	2.5
239.10797	10.7
253.08885	1.3
265.08688	17.6
266.09021	1.5
267.08749	4.2
283.09763	36.0
284.10123	3.8
285.09943	5.5
309.07660	5.4
327.08353	100.0
328.08832	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	327.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.3
67.01611	0.7
69.03461	1.1
71.01376	13.2
71.50527	0.9
73.02945	21.2
83.01370	4.8
85.02951	2.2
88.44990	0.8
89.02441	3.1
92.39345	0.8
93.03452	27.3
94.03808	0.9
96.99303	3.2
101.02428	16.8
109.02925	0.9
111.00969	1.1
113.02459	5.0
117.03448	2.3
119.05019	74.6
120.05333	2.9
121.02981	3.9
123.04491	3.8
125.02386	1.0
128.45387	0.8
130.04233	2.0
131.03491	1.1
131.05017	5.6
132.05786	1.5
133.02942	3.6
133.06578	0.8
143.03497	1.3
143.05013	18.1
144.68771	1.0
145.02910	3.3
145.06587	3.0
146.89096	0.9
147.04500	1.0
149.02435	6.5
151.03674	0.8
159.04485	1.1
161.04535	3.3
163.03998	34.9
163.24834	0.8
164.04723	2.4
165.05565	0.9
171.04485	3.2
176.04674	0.9
178.67375	0.9
195.04535	2.4
195.08163	2.2
197.09709	1.3
209.06065	2.1
210.06763	1.6
211.07614	5.8
221.09682	2.0
222.06799	2.3
223.07617	3.3
224.08434	1.3
235.07719	3.7
237.09177	15.4
238.09740	2.2
239.10738	8.8
240.11147	1.0
265.08649	16.2
266.08981	1.6
283.09738	26.6
284.09955	2.4
309.07663	6.1
310.15207	1.1
312.10211	1.5
327.08707	100.0
328.08972	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	327.1235
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
54.02124	0.9
59.01376	9.3
65.70534	0.7
69.52377	5.0
77.06274	0.8
77.89220	1.0
93.03458	6.3
108.02225	0.9
109.02948	2.9
119.05023	6.4
120.05349	1.2
121.02962	18.5
121.06580	3.3
123.04494	0.8
131.05016	0.9
135.04553	1.4
143.05046	0.9
145.02834	0.8
147.04558	6.7
148.05161	0.8
154.49644	0.7
158.03722	2.3
159.04582	1.7
161.06053	0.9
163.04033	5.6
165.05566	45.4
166.05870	3.0
175.04001	20.1
176.04651	0.9
184.41180	0.9
185.06084	1.1
187.04034	0.9
189.05463	1.1
190.06349	5.4
191.07059	1.6
195.08121	1.8
197.06155	1.3
200.09549	0.8
203.07155	1.8
205.06499	1.3
207.07996	1.3
208.62840	0.9
209.06058	2.4
210.06802	0.8
211.03943	1.2
211.07610	2.5
212.04893	1.0
221.06070	2.1
222.05186	6.8
223.07704	6.2
225.05569	2.8
226.06140	0.8
233.05980	5.4
235.07684	1.8
236.04829	1.5
237.05652	2.0
237.09157	0.9
238.06328	1.3
239.07109	6.7
240.04361	1.5
240.07788	1.6
241.05196	1.6
241.08641	2.3
249.05618	5.2
250.06277	3.4
251.07101	12.5
252.07693	1.5
253.05157	1.2
253.08527	1.5
254.05772	2.3
256.07263	1.2
261.05527	6.8
262.06204	2.2
263.07162	1.6
264.04266	1.4
265.08606	0.9
267.06601	12.2
268.07364	4.5
269.08163	18.4
270.08499	1.9
277.04962	1.3
278.05826	2.0
278.09326	1.1
279.06638	21.1
280.07098	3.8
281.08029	1.4
282.08926	1.8
283.09750	5.8
294.08957	9.7
295.09537	1.5
296.06882	2.7
297.07678	88.1
298.08051	8.0
309.11307	29.3
309.14877	1.3
310.11649	3.8
311.09326	4.1
312.04636	1.1
312.10019	58.7
313.10410	5.8
327.12344	100.0
328.12711	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03438	3.0
59.01372	14.4
61.67628	1.3
65.68636	1.3
69.03439	2.2
69.92245	1.1
71.01370	3.0
71.05032	1.4
71.33551	1.5
79.49202	1.4
83.05017	4.6
84.02155	3.9
85.02940	3.3
93.03443	2.9
95.05096	1.4
97.36797	1.3
99.08128	2.8
111.08151	1.7
118.94747	1.2
119.05048	3.0
123.04509	4.6
125.09721	3.4
127.07669	3.9
127.11310	1.5
129.09206	21.2
137.09689	2.0
141.09196	7.7
141.12798	1.6
143.05011	2.1
148.04999	1.3
155.10809	4.6
157.82632	1.5
171.10266	15.6
171.48087	1.3
173.08211	1.8
185.11821	31.5
197.11812	31.6
198.12202	3.1
201.11325	3.8
209.11833	29.0
210.12129	1.9
211.13400	5.6
227.12889	1.7
229.14368	2.2
265.08691	1.8
291.19519	7.0
309.20654	13.7
310.21127	1.8
327.08878	7.5
327.21732	100.0
328.22113	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.46654	0.6
57.03453	6.1
59.01371	4.0
62.79320	0.7
69.16616	4.4
69.17039	3.0
71.01362	0.8
85.02982	1.1
87.04514	6.5
111.08139	2.9
123.04538	1.6
127.11259	0.9
129.09241	0.8
132.69167	0.8
144.40799	0.6
163.04103	0.7
167.19243	0.8
169.12369	1.0
171.10262	2.2
179.14452	1.7
181.12357	1.9
183.13887	0.8
185.11848	1.1
195.13893	5.2
197.11816	10.7
199.13322	1.7
209.11734	1.3
211.13409	1.4
221.12099	0.8
221.15405	3.5
239.16518	55.9
240.16862	3.0
263.67615	0.7
291.19681	12.2
292.20029	0.8
309.20670	5.3
325.87683	0.7
327.08762	1.8
327.21747	100.0
328.22128	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03430	1.2
59.01364	0.6
62.93756	0.5
69.03445	1.3
71.01377	0.6
80.02663	0.5
83.05007	0.8
85.02947	5.8
95.05026	1.2
97.02965	0.7
97.06587	4.4
104.14562	0.5
110.03751	0.5
125.09718	1.6
127.11274	1.9
137.09697	1.9
138.98961	0.6
155.10722	0.7
165.12860	0.8
167.14389	1.1
171.10265	12.9
177.12784	1.2
183.13884	4.1
183.52615	0.5
185.11815	1.2
193.12331	1.1
197.11852	0.6
198.97502	0.6
203.10774	0.6
209.11826	1.7
211.13379	19.6
212.13739	1.1
214.53268	0.5
221.09862	0.6
221.11702	2.7
229.14436	13.6
239.12831	2.0
291.19672	3.6
309.20789	1.3
327.21741	100.0
328.22064	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	328.045
Annotation	cAMP
Peak:m/z	Relative Intensity
57.49194	0.1
59.01371	0.2
64.61943	0.1
68.02522	0.1
69.54269	1.0
69.54637	0.2
71.01369	0.2
75.64809	0.1
78.95900	0.4
83.32897	0.1
92.02554	1.0
98.20668	0.2
105.38114	0.1
106.60968	0.1
107.03628	4.5
122.03732	1.3
123.04548	0.3
134.04723	100.0
135.05174	1.7
192.99084	0.2
328.04492	2.8
329.04944	0.2
329.08679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2857
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
59.01369	1.9
69.66799	0.6
70.02977	100.0
71.03316	1.4
72.00917	1.6
86.02475	6.3
88.04060	1.1
174.07153	0.5
185.00745	1.5
186.01134	1.0
237.22223	2.2
239.23801	27.6
240.24091	2.2
253.25354	1.2
265.25299	1.2
266.24884	7.9
280.26450	26.5
281.26794	2.3
282.28030	1.8
292.26410	0.7
296.25916	7.1
300.29056	12.8
301.29373	1.6
310.27563	1.5
328.18488	4.8
328.28552	76.7
329.28882	9.5
344.27985	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	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15397	0.5
59.01380	49.3
61.98811	1.6
71.01379	2.7
74.99380	1.5
87.00887	1.1
98.20682	1.1
98.26949	0.6
104.93033	0.6
108.24206	0.6
115.02521	2.1
117.00443	13.8
117.02773	0.7
118.12408	0.5
125.00935	1.3
126.98889	1.4
129.00499	0.6
140.79247	0.6
143.02011	3.3
144.99921	0.9
157.03514	1.4
159.01492	63.9
160.01645	5.0
168.99876	4.3
170.97862	20.4
171.01436	3.2
171.97981	1.7
184.38251	0.6
187.00981	100.0
188.00891	7.4
190.97258	1.4
201.02531	15.9
202.02705	0.9
232.98260	2.9
241.00504	1.3
259.01608	0.7
274.99365	11.2
275.99515	1.0
287.01154	2.2
311.01266	0.8
328.96973	3.2
329.02530	2.9
329.96799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85078	1.4
59.01379	20.9
61.98830	19.7
68.23634	1.3
70.66022	2.5
70.66361	3.4
71.01383	18.5
73.02945	3.9
83.01337	1.5
85.02950	5.8
87.00877	4.2
88.04037	4.7
89.02442	7.6
93.03442	2.1
95.01378	3.1
101.02422	10.2
102.05624	2.0
108.02185	9.1
109.02925	4.8
113.02477	7.6
121.02958	15.0
122.03739	100.0
122.06099	6.3
123.00862	4.2
123.04560	31.1
124.04060	2.0
125.02443	1.5
128.03505	3.3
130.08690	2.7
134.04709	4.9
136.07645	1.8
137.02444	3.3
138.05594	1.6
139.00403	2.3
149.02426	8.6
149.06058	3.4
150.05640	8.7
151.03949	1.6
152.01115	3.4
153.01971	1.5
161.04578	9.4
164.07124	2.8
165.05534	6.7
166.02640	3.5
166.99893	2.3
167.03491	16.4
167.07144	2.0
177.05574	3.2
201.12343	2.1
222.07704	2.2
312.10901	3.5
329.05200	2.9
329.08694	19.0
329.18494	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
59.01377	1.3
69.55374	1.5
69.55794	0.5
70.12184	0.3
71.01382	7.4
73.02943	2.7
83.01400	0.4
83.05037	0.3
85.02954	2.9
87.00890	0.4
89.02438	0.8
95.01400	0.3
97.02940	0.4
98.20656	0.3
99.00890	1.1
99.04539	0.5
101.02458	4.8
108.02166	1.3
108.65793	0.3
109.02946	1.3
113.02460	3.9
121.02951	2.0
121.06594	0.5
122.03743	100.0
123.04605	10.5
125.02464	0.4
134.04652	0.4
135.04485	0.9
136.07718	0.4
137.02461	1.1
137.06053	1.8
143.03470	0.4
147.04532	1.3
149.06084	0.3
149.41872	0.4
150.05553	1.8
152.07162	0.4
153.22441	0.3
159.02979	1.7
161.04558	8.3
165.05568	5.8
177.05577	1.9
249.76155	0.3
285.09830	1.5
312.11057	0.7
329.08762	4.3
330.08429	0.3
330.12094	0.5
341.02252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01375	5.3
71.01372	9.9
73.02934	2.9
76.25800	0.6
79.05524	2.2
81.03458	1.3
83.01357	1.5
85.02958	3.0
88.04066	1.1
89.02442	2.1
99.00871	1.5
101.02413	6.1
108.02155	3.8
109.02967	2.1
113.02458	4.7
114.05667	0.8
117.68592	0.6
121.02969	3.0
122.03733	100.0
123.04545	41.0
124.04855	1.8
125.02456	1.0
128.03581	0.8
134.04691	0.9
135.04402	0.7
136.07645	0.6
137.02400	1.9
137.06033	1.4
147.04503	1.4
149.02417	4.8
149.04599	0.7
149.06015	1.0
150.05569	3.7
152.01067	1.4
159.02940	1.3
161.04556	9.3
162.03226	1.1
165.05577	5.2
167.03496	7.6
177.05580	2.1
285.09604	1.1
312.10870	1.4
314.06427	0.7
329.08786	18.4
329.12561	1.4
329.18088	1.1
330.04904	1.0
330.08832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.71787	0.4
59.01377	4.9
61.77258	0.4
70.91325	0.8
71.01387	3.1
73.02946	0.7
73.22241	0.4
74.02470	1.2
79.05526	8.3
80.05826	0.6
81.03449	5.4
85.02935	1.0
87.05633	0.9
88.04040	3.6
89.02448	1.1
101.02456	1.4
105.03445	2.7
107.05112	0.5
108.02177	1.4
109.52920	0.4
113.02459	1.2
118.73981	0.4
121.02937	0.7
122.03715	1.8
122.06115	1.5
123.04518	100.0
124.04848	3.0
127.05160	0.8
128.03511	0.9
129.10329	0.7
130.08699	3.3
139.00241	0.4
149.02432	18.1
150.05611	1.4
151.00356	1.1
152.01161	0.9
157.13469	1.0
159.02818	0.4
161.04515	0.7
165.05597	0.6
166.02705	3.0
167.03482	17.4
167.07138	0.7
168.03775	0.6
176.48947	0.5
180.10271	0.8
198.08784	0.7
209.04631	1.0
214.15521	0.6
241.11856	0.7
285.12778	0.8
286.17618	0.7
312.15610	1.3
325.21970	0.4
328.88058	0.6
329.08737	54.8
329.17841	3.0
330.09103	3.5
330.12454	0.4
330.16678	1.6
330.20349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01377	4.9
69.70139	1.8
69.70551	1.3
71.01357	3.4
74.02493	0.6
77.79906	0.7
79.05509	1.5
81.03458	1.6
83.01397	0.7
85.02959	1.0
87.00883	0.6
88.04031	7.6
89.02460	1.2
95.15028	0.6
97.02995	0.6
99.00904	0.6
101.02498	0.7
103.64444	0.6
105.03474	0.6
107.01374	1.0
108.02173	58.0
109.02497	1.7
113.02451	1.2
121.02956	0.7
122.03767	3.7
122.06068	0.7
123.04529	44.3
124.04868	1.4
125.02479	0.7
127.05161	1.2
129.10251	0.5
130.08740	1.0
149.02412	3.6
149.06093	0.6
149.38899	0.7
150.05539	1.0
151.00337	1.3
152.01143	42.8
153.01509	1.6
157.13503	1.2
166.02646	2.8
167.03490	100.0
168.03819	4.3
180.10260	1.3
195.04779	0.6
209.04520	0.8
214.15501	0.6
240.13513	1.6
312.10846	0.6
312.15518	0.8
325.44275	0.5
328.87756	1.1
329.08749	12.2
329.18271	3.6
329.23184	0.7
330.12738	0.9
330.16779	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	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01378	18.8
62.69152	0.9
64.29612	0.6
66.65929	0.8
69.03458	8.5
69.36526	0.6
70.48537	0.6
71.01381	11.1
71.20330	1.4
79.01879	7.4
85.02952	2.3
87.00858	0.8
88.04062	1.9
89.02454	11.3
90.30020	0.7
95.01374	2.5
97.02958	4.6
101.02451	5.4
107.01385	19.0
108.02166	1.1
109.02953	0.7
113.02455	4.1
116.07166	1.0
119.03487	4.3
121.02942	1.6
122.03782	1.3
122.06104	3.7
123.00896	2.0
123.04507	2.4
125.02430	8.7
128.03548	2.1
130.08754	5.0
133.02936	1.5
135.00844	0.9
136.01672	2.6
137.02386	0.8
138.05615	2.8
149.02425	2.9
149.06096	1.3
150.05597	19.8
151.00375	17.4
151.04030	1.1
152.00809	0.8
153.01996	1.3
154.15443	0.8
157.13492	2.1
161.04535	0.9
163.04001	1.4
165.05678	0.8
166.02708	100.0
167.03487	32.6
167.07138	1.3
168.28044	0.8
177.01962	3.2
179.03508	0.9
179.05554	1.2
191.03461	0.9
197.12982	1.5
199.07306	0.8
201.12604	0.9
209.04562	6.7
221.04507	1.5
223.10896	1.5
269.06894	1.0
293.12424	10.3
297.06146	2.4
308.87222	0.7
312.15540	4.0
328.87769	1.0
329.08749	10.2
329.12390	1.2
329.18109	1.2
330.11945	5.2
330.16690	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	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
57.73514	0.7
59.01109	1.0
59.01377	12.1
63.30669	0.7
71.01376	1.3
71.50849	1.1
84.74255	0.8
93.03466	1.3
99.08105	0.7
105.22942	0.8
109.02953	0.8
111.70228	0.8
119.05009	1.7
121.02962	11.8
122.03761	5.1
123.00871	2.3
123.04542	2.0
124.01665	2.2
130.04189	1.1
131.05009	2.1
134.03784	1.0
135.04524	1.0
136.01698	0.9
136.05312	2.5
137.02415	2.5
143.04984	2.7
145.02968	1.2
145.06491	0.8
146.03694	1.9
147.04514	10.1
148.07739	1.6
149.02480	4.2
150.03217	17.2
151.03784	1.0
153.05591	1.4
158.03746	12.8
159.04514	40.1
160.05298	88.5
161.06081	36.8
162.03223	1.4
162.06404	2.6
163.03999	13.9
164.04793	13.8
168.04292	1.4
173.06085	11.5
174.06810	1.3
175.07639	69.6
176.04785	1.8
176.07996	4.6
177.01930	1.4
177.05548	17.9
178.06340	17.8
179.06754	1.0
192.07878	2.1
193.08699	8.4
206.08212	1.4
225.14926	6.7
299.12741	0.9
314.11728	1.5
329.13919	100.0
330.14185	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	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43612	0.5
55.73930	0.8
55.88521	0.7
56.82546	0.7
59.01377	100.0
59.76742	0.5
60.01694	1.0
70.03806	2.7
71.84698	0.6
98.20665	0.7
101.71733	0.6
116.42269	0.6
136.00104	0.5
171.10178	1.0
207.13794	1.1
208.27043	0.7
209.11620	1.4
225.14944	77.6
226.15300	5.9
227.12892	1.0
269.13885	11.7
270.14160	1.0
287.14801	0.8
329.16174	4.9
329.23267	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41155	0.5
59.01377	100.0
60.01710	0.9
99.04496	0.6
178.09312	0.5
207.13762	1.2
209.11794	1.9
225.14941	77.4
226.15298	5.3
269.13919	10.3
270.14233	1.2
287.14825	1.0
329.16034	4.0
330.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30544	0.5
59.01377	100.0
60.01711	0.7
69.27340	1.2
69.27753	3.6
134.03706	0.7
136.00804	0.5
142.89236	0.5
166.20313	0.4
207.13882	1.2
209.11801	2.1
225.14946	77.3
226.15282	4.1
251.12813	0.7
269.13931	10.5
270.14221	0.9
287.14926	1.1
290.02087	0.5
329.16107	3.6
329.22720	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	329.1966
Annotation	oscr#17
Peak:m/z	Relative Intensity
51.83434	0.8
57.03448	7.0
59.01374	10.3
69.47755	5.4
81.03439	1.3
83.05022	16.9
93.03436	0.9
97.06592	6.3
103.46596	0.9
103.89906	0.8
105.78845	0.8
109.06596	5.2
111.08154	81.3
112.08514	3.3
113.09735	0.9
123.08121	2.3
125.09715	35.3
125.10636	1.7
126.10050	1.6
127.11309	1.9
129.09190	2.3
139.11292	2.0
155.10745	1.3
159.10243	12.0
167.05072	1.1
169.08589	1.0
171.10306	2.3
173.08191	17.2
173.11809	32.7
174.12109	1.8
183.10278	0.9
187.09718	8.2
201.11313	1.5
211.13390	1.8
225.15063	1.2
231.15118	1.3
235.73891	0.9
267.19623	7.6
268.19843	1.1
311.18600	11.1
328.07791	1.2
329.08371	5.8
329.19693	100.0
329.23306	13.3
330.01135	0.9
330.20078	10.0
330.23700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.19151	0.5
57.99730	0.6
59.01375	5.2
59.94622	0.6
68.77264	0.6
69.03471	2.9
69.59022	4.2
71.01380	0.7
81.03496	0.6
83.05017	1.0
85.02926	0.8
93.03446	1.3
97.06607	0.8
99.08154	6.4
113.02420	1.3
121.02932	1.3
125.09690	1.8
127.11293	2.9
139.11284	2.0
144.10257	0.6
155.10768	0.8
155.14401	0.8
165.12808	0.7
167.14389	1.1
171.10277	8.7
183.13908	6.1
193.12325	2.4
195.13867	1.0
199.13484	1.2
209.11815	0.8
211.13379	34.3
212.13786	2.2
223.13411	2.6
229.14417	15.8
230.14822	0.7
311.22198	1.3
328.33038	0.6
329.23303	100.0
330.09634	1.4
330.23676	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	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.69610	0.7
54.11530	0.6
57.03442	1.3
66.78780	0.6
70.34155	2.3
80.42989	0.7
83.05035	1.2
99.08165	6.4
110.90603	0.7
125.09719	1.1
127.11289	2.9
139.11278	3.0
140.34404	0.7
155.10689	0.8
155.14374	1.0
157.06075	0.7
171.10269	10.4
179.93687	0.7
183.13913	5.9
193.12378	1.9
209.11864	1.2
211.13379	32.4
212.13730	1.9
229.14423	17.5
230.14790	1.1
245.71616	0.8
254.41823	0.8
293.21036	1.1
311.22433	1.1
329.23312	100.0
330.23706	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	330.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
57.03455	1.7
58.00593	3.7
59.01379	100.0
60.01729	2.0
62.17971	1.2
71.01382	56.0
71.09186	2.0
71.09511	1.2
72.01711	2.2
72.99309	3.1
73.02938	2.1
83.01390	3.3
85.02955	11.7
87.00882	3.3
89.02444	59.0
95.01384	4.1
96.76560	1.1
101.02444	29.6
103.02310	1.3
108.02179	1.4
109.98027	1.3
113.02451	28.0
114.71442	1.3
116.07153	2.0
119.03500	24.1
122.03728	3.7
125.02414	3.8
130.08734	10.4
131.03476	2.0
137.40701	1.3
138.01949	6.1
143.03476	3.2
143.11874	3.0
149.04700	1.5
151.00325	2.4
151.02679	2.8
152.03534	22.4
153.06758	1.3
155.08276	2.8
161.04510	3.8
164.03569	2.0
166.01465	8.5
168.03017	72.3
169.03391	1.6
179.05591	4.5
180.03047	2.4
185.16457	2.2
192.03018	5.7
197.05789	2.5
207.08098	2.3
210.04056	15.0
212.08492	1.5
222.04013	8.4
225.09175	8.4
240.05089	2.4
242.18729	1.8
244.07457	1.9
247.44312	1.2
270.06076	2.9
286.10956	6.8
286.14615	1.7
286.17682	11.5
287.10532	2.2
298.28973	1.3
317.21902	1.3
330.08264	81.0
330.20157	4.1
331.08670	5.0
331.12939	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	331.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83839	0.3
57.03436	1.2
58.00570	0.4
59.01377	1.5
68.99807	0.3
69.03455	0.8
69.38561	2.7
71.01379	3.5
71.05028	0.4
72.99298	1.1
73.02944	1.4
73.04082	0.7
74.02471	1.0
81.03487	0.4
81.27594	0.3
82.00604	0.8
83.01389	2.6
85.02969	2.8
87.00882	0.9
88.04034	0.8
89.02455	0.6
93.03438	0.9
95.01401	0.8
96.00912	1.5
97.02953	1.3
97.55210	0.3
99.00884	6.3
101.02439	1.6
107.01389	1.5
108.02168	0.4
109.02985	0.4
110.00095	7.1
111.00906	1.7
112.98809	12.1
113.02431	2.8
115.00359	0.7
116.40961	0.3
121.02966	2.5
123.00872	2.1
123.04489	1.0
124.01663	4.6
125.02447	30.1
126.02793	0.7
127.04001	0.5
128.03497	0.7
130.08748	1.8
133.02928	1.3
134.03735	1.4
135.04521	0.6
137.02451	1.6
137.06052	0.5
137.99585	9.1
138.03169	0.4
139.00397	3.2
139.03952	0.6
142.99831	1.3
143.11923	0.7
145.01436	0.8
149.02412	1.0
149.99576	5.8
150.03198	1.2
151.00365	5.6
151.03993	0.9
152.01143	2.4
153.01932	100.0
154.02702	5.2
155.03468	1.2
159.02928	2.2
161.04562	1.8
163.03969	1.2
165.01952	0.4
165.05576	1.1
166.02690	0.5
167.03487	9.9
168.00648	13.0
168.04272	56.5
169.01418	16.1
169.05064	12.3
170.01814	0.5
173.00896	8.5
174.01624	1.4
175.00421	0.5
176.01036	0.5
177.01894	1.1
177.05513	0.5
179.03519	0.6
180.04207	0.4
191.03476	1.5
193.01347	0.5
193.05038	2.3
194.02158	0.4
195.06656	2.3
200.06810	1.0
200.13968	0.7
201.12523	0.5
209.04507	0.8
211.02557	0.5
211.06107	5.8
217.01361	1.2
223.06300	0.4
235.02299	0.5
251.05801	0.4
259.06873	0.4
260.08481	0.4
267.09653	0.5
288.15607	0.4
295.04602	1.9
301.15250	1.0
313.05820	1.8
313.09055	0.4
330.16727	0.6
331.06665	27.6
331.10336	6.7
331.16602	0.9
332.07175	1.8
332.10565	0.5
332.18185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83839	0.3
57.03436	1.2
58.00570	0.4
59.01377	1.5
68.99807	0.3
69.03455	0.8
69.38561	2.7
71.01379	3.5
71.05028	0.4
72.99298	1.1
73.02944	1.4
73.04082	0.7
74.02471	1.0
81.03487	0.4
81.27594	0.3
82.00604	0.8
83.01389	2.6
85.02969	2.8
87.00882	0.9
88.04034	0.8
89.02455	0.6
93.03438	0.9
95.01401	0.8
96.00912	1.5
97.02953	1.3
97.55210	0.3
99.00884	6.3
101.02439	1.6
107.01389	1.5
108.02168	0.4
109.02985	0.4
110.00095	7.1
111.00906	1.7
112.98809	12.1
113.02431	2.8
115.00359	0.7
116.40961	0.3
121.02966	2.5
123.00872	2.1
123.04489	1.0
124.01663	4.6
125.02447	30.1
126.02793	0.7
127.04001	0.5
128.03497	0.7
130.08748	1.8
133.02928	1.3
134.03735	1.4
135.04521	0.6
137.02451	1.6
137.06052	0.5
137.99585	9.1
138.03169	0.4
139.00397	3.2
139.03952	0.6
142.99831	1.3
143.11923	0.7
145.01436	0.8
149.02412	1.0
149.99576	5.8
150.03198	1.2
151.00365	5.6
151.03993	0.9
152.01143	2.4
153.01932	100.0
154.02702	5.2
155.03468	1.2
159.02928	2.2
161.04562	1.8
163.03969	1.2
165.01952	0.4
165.05576	1.1
166.02690	0.5
167.03487	9.9
168.00648	13.0
168.04272	56.5
169.01418	16.1
169.05064	12.3
170.01814	0.5
173.00896	8.5
174.01624	1.4
175.00421	0.5
176.01036	0.5
177.01894	1.1
177.05513	0.5
179.03519	0.6
180.04207	0.4
191.03476	1.5
193.01347	0.5
193.05038	2.3
194.02158	0.4
195.06656	2.3
200.06810	1.0
200.13968	0.7
201.12523	0.5
209.04507	0.8
211.02557	0.5
211.06107	5.8
217.01361	1.2
223.06300	0.4
235.02299	0.5
251.05801	0.4
259.06873	0.4
260.08481	0.4
267.09653	0.5
288.15607	0.4
295.04602	1.9
301.15250	1.0
313.05820	1.8
313.09055	0.4
330.16727	0.6
331.06665	27.6
331.10336	6.7
331.16602	0.9
332.07175	1.8
332.10565	0.5
332.18185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.42964	0.4
54.71408	0.4
56.18258	0.5
56.24586	0.4
57.03449	6.5
59.01372	1.7
63.02390	0.5
65.00314	5.8
71.01346	0.7
71.05013	0.7
81.03448	2.9
83.01382	18.3
84.01734	0.5
85.02971	0.4
97.02950	1.6
107.01388	12.1
109.02895	0.6
119.01218	0.5
121.02928	0.9
124.01649	2.2
125.02436	57.4
126.02757	2.0
127.04034	1.5
131.01398	1.4
137.02449	0.7
139.04010	1.2
149.02415	1.2
151.00357	67.4
152.00699	2.0
165.01862	1.2
167.03450	1.6
168.00650	3.9
169.01407	31.6
170.01793	0.7
175.00360	8.6
176.00620	0.5
193.01411	7.3
205.01402	1.2
211.02519	2.2
259.01727	0.5
331.06677	100.0
332.06998	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.80005	0.6
53.82126	0.8
57.03440	5.8
59.01364	1.7
65.00316	5.4
69.29008	5.5
70.28304	0.5
70.96912	0.6
71.01353	1.4
74.02448	2.0
81.03448	3.1
83.01378	19.1
87.00854	1.1
87.05628	1.6
89.02451	1.1
93.03494	0.8
97.02943	1.5
102.30001	0.6
103.01860	0.8
107.01387	11.8
108.02200	0.7
109.02979	0.6
110.02461	0.7
112.98804	0.8
114.01981	0.8
121.02905	0.7
123.00864	0.8
124.01640	2.7
125.02438	55.9
126.02761	1.7
131.01361	1.6
133.05042	3.6
137.02464	1.0
139.04001	1.0
149.02425	1.0
149.99562	0.6
150.05544	2.3
151.00362	66.0
151.05873	1.5
152.00688	3.2
152.03539	0.9
153.01923	0.9
165.01863	1.3
166.78571	0.6
167.03481	1.4
168.00624	5.7
169.01410	31.1
169.02859	1.5
170.01788	0.9
175.00388	8.7
176.00684	0.7
193.01439	5.3
205.01459	0.8
211.02402	1.4
223.02390	0.8
253.93594	0.7
301.15152	2.1
313.11063	2.1
331.06677	100.0
331.16187	2.0
332.06985	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	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.4
58.69436	1.3
59.01357	2.2
61.70476	1.3
61.79561	1.1
61.87526	1.4
63.42426	1.3
65.00318	5.1
69.25404	11.2
71.01382	3.1
81.03442	2.6
83.01392	17.1
85.02943	2.9
89.02423	2.4
94.89586	1.1
97.02959	1.4
107.01385	8.4
111.07827	1.2
114.98957	1.2
123.04548	1.5
124.01650	4.2
125.02450	60.3
131.01422	2.0
149.02422	1.5
151.00371	60.6
152.00787	2.3
167.03453	2.2
168.00708	6.2
169.01428	30.7
170.01749	1.7
173.00757	1.5
175.00394	7.0
193.01393	5.5
205.01451	1.9
211.02460	1.5
215.24081	1.4
331.06699	100.0
332.07062	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	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03458	0.8
59.01373	2.7
65.00303	0.5
67.01885	0.5
69.03458	1.1
70.07934	2.0
71.01379	4.9
72.99295	2.3
73.02955	1.0
73.04062	1.1
74.02475	2.5
81.03450	0.6
82.00579	0.7
83.01379	2.3
85.02969	2.4
87.00877	0.8
87.05670	0.6
89.02441	1.2
93.03455	0.7
95.01382	0.9
96.00903	1.9
97.02937	0.9
98.02488	0.6
99.00874	5.1
101.02434	2.1
103.05184	0.5
107.01380	1.8
109.02975	0.6
110.00087	8.4
110.00791	0.9
111.00880	1.6
112.98802	12.2
113.02448	2.8
115.00327	0.9
121.02935	2.7
123.00880	2.5
123.04524	1.6
124.01662	4.5
125.02438	29.6
126.02781	1.2
127.04019	0.8
128.03552	0.5
130.08707	3.0
133.02953	1.7
134.03734	2.2
137.02431	1.7
137.06076	1.0
137.99570	8.5
138.03156	0.5
139.00386	3.7
139.04036	0.5
142.99840	1.4
143.11897	1.4
145.01466	0.8
149.02452	0.9
149.99608	4.5
150.03236	1.6
151.00381	6.1
151.03986	1.5
152.01193	2.4
153.01924	100.0
154.02536	4.5
154.13614	0.5
155.03513	0.6
159.03008	2.5
161.04543	1.8
163.03967	1.3
163.09453	0.4
165.01947	0.5
165.05565	1.3
166.02727	1.2
167.03491	10.2
168.00630	11.5
168.04266	51.5
169.01421	19.3
169.05035	13.8
169.09789	1.3
170.05533	0.7
173.00903	8.9
173.02373	0.7
174.01643	1.3
175.00360	1.1
177.01949	1.8
178.02711	0.5
179.03476	1.2
180.10246	0.5
191.03493	1.4
193.01396	0.9
193.05055	2.9
195.06604	2.9
200.06677	1.0
200.13976	1.0
208.95779	0.4
209.04535	0.9
211.06099	7.0
211.63469	0.5
212.06358	0.5
217.01355	0.8
242.57599	0.5
244.13033	0.7
251.05547	0.8
288.15613	1.2
295.04437	1.4
301.15112	1.5
313.05542	1.2
313.09332	1.2
331.06668	27.2
331.10349	8.2
331.16501	1.8
332.07065	1.5
332.10565	0.7
332.17957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21616	0.9
59.01373	1.8
71.01373	7.9
71.04998	1.9
71.50156	1.8
76.80297	0.9
90.15451	0.8
96.99603	1.0
107.93379	1.0
110.83702	1.0
138.53313	1.0
146.03735	2.7
151.00388	1.3
159.04482	8.4
160.05275	3.9
161.06082	17.3
161.47336	1.0
172.05304	1.6
173.06070	24.7
174.06732	2.7
175.03967	1.3
175.07520	1.8
176.08504	4.5
186.06804	2.2
187.04053	10.1
187.07628	25.0
188.04739	2.3
188.08351	3.0
189.05588	1.2
189.09091	1.3
195.64618	1.0
201.05533	5.6
201.09232	3.3
202.06357	2.4
202.09943	3.0
204.07930	1.2
214.06282	1.0
215.07098	2.3
215.10776	5.2
216.07883	1.4
216.11510	2.8
227.10812	1.2
229.08754	1.6
230.09435	11.4
231.13882	100.0
232.14183	8.5
234.08986	0.9
241.12349	4.5
244.10956	1.1
247.13416	1.1
256.11032	2.7
259.10529	1.9
259.13361	39.3
260.13684	3.0
271.02457	1.1
285.14920	1.9
299.01941	2.3
301.14438	1.4
302.11398	1.1
303.15976	15.7
304.16342	1.6
313.14505	4.7
331.15485	72.1
332.15900	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	331.1548
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
52.74157	1.2
59.01376	2.6
62.95303	1.3
63.44763	1.3
69.69110	6.9
71.01385	1.6
78.50269	1.5
107.05049	1.5
119.05076	1.5
121.06591	2.4
122.03737	8.7
123.04497	3.4
133.06648	2.0
135.04517	4.6
136.05304	32.0
137.06075	2.9
138.03258	2.7
148.05251	2.0
149.06010	3.0
149.09717	5.3
150.03236	3.7
159.04486	3.1
160.05283	4.0
161.02489	2.5
161.06049	2.6
162.03233	4.0
162.06870	22.4
163.07687	2.1
164.04770	3.9
168.04276	1.8
172.05309	1.5
173.06059	3.9
174.06810	3.0
175.07582	2.8
186.06792	2.5
187.04056	2.3
188.04787	10.6
188.08398	4.0
189.05475	4.2
198.54395	1.7
201.09245	1.5
202.06322	3.8
215.10661	1.8
234.08987	30.7
235.09328	2.8
240.04021	1.6
257.15436	3.3
259.17007	15.5
262.02795	1.3
267.13779	3.8
269.15326	6.5
285.14954	49.5
286.15341	5.1
287.16452	3.5
295.13345	7.1
303.15994	49.7
304.16440	3.8
313.14450	38.8
314.14648	4.3
331.15491	100.0
332.15918	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	331.1549
Annotation	Montanin B
Peak:m/z	Relative Intensity
57.24279	0.6
59.01374	0.9
90.93327	0.7
93.03448	6.1
98.20627	1.2
112.97678	0.8
123.04494	0.8
125.02328	0.7
135.16449	0.9
137.02312	0.8
146.03732	34.5
147.04240	1.0
151.00398	0.7
157.06534	1.9
159.04507	21.9
160.05292	6.6
161.06055	5.1
162.06802	1.3
163.03934	0.7
172.05289	9.0
173.06036	3.9
174.03285	1.1
174.06750	1.8
180.66785	0.7
184.05301	1.6
185.06039	1.5
186.06799	3.3
187.03998	49.1
187.07620	2.5
188.04774	36.9
189.05222	2.1
197.06113	4.1
198.06816	1.6
199.07631	1.5
200.08365	1.2
201.05571	1.2
211.07703	1.4
212.04745	0.9
213.09160	0.7
223.41718	0.9
234.08905	1.3
238.08632	2.1
241.12396	1.5
241.15973	1.5
243.13887	1.5
251.14497	1.0
267.13916	1.5
269.11829	13.8
269.15427	10.9
270.12177	1.5
277.12381	1.1
283.13367	2.9
285.14948	7.1
287.12924	11.5
288.13281	2.0
295.13379	42.3
296.13690	4.0
301.14548	2.8
303.16156	1.8
311.13004	1.2
313.14456	88.1
314.14786	10.3
316.13223	1.5
331.15494	100.0
332.15982	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	331.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81160	0.4
63.01243	0.4
69.49105	2.0
69.49516	0.6
73.82262	0.3
88.26803	0.4
91.76735	0.4
98.19997	0.7
109.02993	0.4
118.89120	0.3
120.66782	0.3
122.03708	0.5
130.04280	0.5
135.04477	0.4
135.74425	0.3
138.49237	0.4
144.05806	1.0
146.03728	34.6
147.04320	1.4
157.06560	1.2
158.03745	1.2
159.04498	23.2
160.05290	8.3
161.06081	5.2
161.34656	0.3
162.06564	0.4
163.04008	1.0
169.06664	0.4
171.04495	0.7
172.05290	11.9
173.06050	5.3
174.03209	1.1
174.06778	1.3
175.03932	0.4
183.08150	0.5
184.05240	2.4
185.06026	2.5
186.06827	3.5
187.03990	54.0
187.07527	3.8
188.04761	37.2
188.08337	0.6
189.05176	2.6
189.06671	0.4
190.06284	2.1
197.06084	3.4
198.06853	2.2
199.07544	1.3
200.04808	0.8
200.08345	1.2
201.05559	2.1
201.08955	0.6
202.06339	0.5
209.11809	1.0
211.07605	1.4
212.04788	1.0
212.08319	0.9
213.09218	0.9
213.12862	0.8
215.07243	0.9
215.10721	0.9
216.07883	0.6
225.12852	1.0
227.07092	0.7
230.09325	0.5
231.13962	0.7
241.12349	2.0
241.16006	1.5
243.13876	1.9
251.10704	0.7
251.14473	1.9
257.15555	0.5
259.13428	0.7
267.13953	1.9
269.11819	16.0
269.15421	10.9
270.12222	1.4
270.15729	1.0
275.16544	0.4
277.12140	0.8
283.13254	3.0
285.14932	7.3
286.15298	0.5
287.12869	13.3
288.13382	1.9
295.13358	41.5
296.13666	3.5
301.14420	2.7
303.15952	2.0
311.12827	0.9
313.14429	91.2
314.14786	8.6
316.13101	3.1
329.13791	0.9
331.15469	100.0
332.15802	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	331.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17152	0.7
59.01357	0.9
69.03457	11.7
71.01369	2.6
85.02953	0.8
93.03522	0.9
97.02946	44.4
97.06605	1.2
98.03272	1.2
111.04510	2.0
120.29527	0.7
120.98710	0.8
125.02325	0.7
125.06068	3.4
147.41176	0.8
152.00914	2.0
162.06848	1.1
178.02472	5.1
183.13800	0.8
191.03258	5.2
197.78386	0.8
210.01456	4.7
219.06407	7.1
223.13321	0.9
233.07999	1.2
233.11723	1.8
234.08833	3.1
240.04382	1.1
261.11053	49.9
262.11829	100.0
263.12164	6.0
266.62970	0.9
267.12198	1.4
272.03320	0.9
277.10568	1.0
294.10812	12.5
295.11020	1.2
313.17789	1.5
331.06454	2.0
331.09985	1.6
331.18915	19.0
332.19257	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	332.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24246	3.4
59.20015	3.9
61.98828	100.0
69.94170	20.4
80.11122	4.2
82.06472	4.1
98.19964	5.1
140.55719	4.0
162.06641	4.5
204.82167	3.8
232.14212	7.8
247.35835	4.3
258.15768	7.6
260.13629	7.9
286.15405	5.4
293.62665	4.0
331.23630	10.9
332.15826	7.7
332.24081	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	332.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60289	0.3
53.79445	0.3
55.11964	0.4
57.01252	0.4
59.01374	7.6
61.98816	1.0
69.30186	2.7
71.01375	4.1
85.02957	1.2
87.00888	0.5
89.02433	3.1
96.08189	1.0
97.01675	0.5
101.02426	1.9
109.05344	0.9
113.02468	1.0
119.03460	1.0
122.06102	0.8
123.03190	0.4
124.04076	0.5
124.07681	7.6
126.05584	0.4
130.08717	0.8
137.04817	3.5
140.07162	1.1
143.11871	0.7
152.07164	100.0
153.07501	3.9
161.04550	0.4
169.03784	0.5
170.08302	0.9
196.09682	0.5
286.48218	0.4
288.15704	0.9
311.00412	0.4
332.07288	0.6
332.13470	5.3
333.14233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96907	0.3
58.81467	0.4
59.01380	6.6
61.34158	0.3
64.24333	0.3
66.00636	0.3
69.13131	3.6
69.13522	0.6
71.01382	8.8
72.99311	0.7
73.02949	0.4
83.01395	0.6
85.02949	1.0
85.18510	0.4
87.00875	13.4
89.02448	0.7
98.20690	0.7
101.02443	1.0
112.98737	0.4
113.02426	0.9
115.00378	32.7
117.61230	0.3
127.00352	1.2
131.03517	0.4
146.12904	0.4
161.02420	0.9
175.02477	100.0
176.02818	2.9
191.30246	0.4
212.75278	0.3
277.52893	0.4
297.11801	0.6
317.30383	0.4
333.03741	3.1
333.06998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
59.01371	1.2
60.46666	0.6
61.85052	0.8
63.02395	3.6
65.00319	4.9
69.69746	3.9
80.15307	0.6
83.01398	4.1
93.03445	2.1
95.01364	1.1
107.01403	8.7
108.02224	0.7
113.02376	0.6
113.99578	0.9
117.03450	2.5
123.00880	0.9
123.04481	1.4
124.01660	1.5
132.02190	1.6
135.00879	0.9
141.03479	0.8
143.84509	0.6
145.02991	0.9
151.00368	28.3
151.98172	0.6
152.01158	6.9
155.04974	0.7
159.04547	1.6
163.00438	1.6
163.04167	0.7
164.01126	0.8
167.03436	1.7
167.05017	1.2
171.04523	1.5
178.99854	7.7
182.03648	1.0
183.04520	7.1
195.02959	0.8
195.04498	1.5
196.05231	0.7
199.04034	1.4
211.04042	3.4
213.05550	1.5
221.00864	0.7
227.03471	16.4
228.03909	1.4
229.05043	1.6
236.03285	0.9
239.03452	3.2
240.04306	2.9
241.04962	1.4
245.04364	0.7
255.02972	68.5
256.03604	13.5
257.04514	3.5
283.02466	34.5
284.03238	54.8
285.03992	14.5
286.04276	0.9
305.10858	0.7
309.07715	0.7
315.05084	100.0
316.05472	8.2
333.06140	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	333.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15673	3.4
57.21281	3.6
59.01369	19.6
71.01376	18.9
71.06116	5.2
71.06432	4.4
78.95889	4.2
88.18884	4.2
89.02438	16.9
101.02441	9.8
113.02467	5.5
115.03988	3.8
119.03491	9.4
124.75388	3.8
165.92601	4.4
179.05563	9.8
297.11884	100.0
298.12238	5.9
333.09695	97.3
334.09756	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	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93298	1.2
59.01385	1.9
60.31679	1.1
65.00294	1.5
69.32113	7.9
69.32520	2.5
71.01376	3.3
80.05107	1.2
81.71925	1.3
82.93314	1.2
89.02434	1.8
92.05069	1.7
99.79603	1.2
101.02374	1.7
103.04299	1.3
104.05068	3.7
104.60175	1.1
108.04530	3.5
113.99586	5.7
115.00347	2.7
120.04584	2.0
121.02944	3.1
122.06130	11.6
123.03264	1.4
132.04536	2.9
133.02977	1.4
135.04514	2.6
136.07657	1.7
138.05646	5.9
140.07166	3.9
146.36794	1.1
147.00865	3.2
147.03117	1.4
148.04036	1.9
150.05640	2.7
161.02443	1.5
163.03902	2.2
166.05092	3.7
168.06676	3.8
169.08884	1.5
172.11253	2.8
176.06866	1.3
184.06464	1.8
184.11311	4.2
187.06378	1.9
191.03435	1.8
197.07132	4.4
198.07954	1.3
202.12401	3.8
207.03030	2.1
211.05054	1.2
212.09459	4.0
213.06610	2.1
215.09560	1.8
215.11856	4.5
216.06706	1.5
216.10226	3.2
217.07463	10.5
226.07498	5.7
227.08119	2.9
228.08893	2.1
231.08942	5.3
231.11177	1.4
231.43263	1.2
236.03464	1.4
238.07236	1.2
241.06076	1.8
241.09834	31.1
242.10359	3.8
243.11404	6.9
246.11301	23.2
247.11618	2.3
253.09885	4.3
255.02919	3.0
259.10822	5.5
271.10867	31.4
281.85474	1.2
284.03082	1.5
289.11945	100.0
290.12448	10.3
315.05099	3.9
315.09760	2.4
333.10968	24.3
333.14746	2.8
334.10992	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1495
Annotation	9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione
Peak:m/z	Relative Intensity
59.01371	1.0
67.61328	0.9
71.50166	1.0
71.50599	1.4
78.99005	0.9
87.28181	0.9
93.03445	11.3
99.92581	1.1
100.41631	0.9
108.02089	0.9
109.85171	0.9
135.04478	1.6
157.06503	1.4
183.08122	2.0
185.06061	1.7
199.07640	4.8
209.05991	1.8
211.07515	2.2
212.08365	3.7
213.05510	1.4
223.07634	1.2
224.08426	1.3
225.05621	5.1
225.09149	4.1
227.07120	33.4
227.10585	1.8
228.07423	2.1
229.09053	1.2
234.83395	1.1
240.07513	1.4
289.08606	2.0
317.11826	5.9
318.12573	11.4
319.12701	1.2
333.11536	3.5
333.14908	100.0
334.15207	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	333.1706
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
56.73471	0.6
68.43303	0.5
69.03466	0.8
71.50317	0.7
93.03466	2.6
94.27457	0.5
97.06596	0.6
109.02950	6.0
121.02954	11.8
122.03230	0.6
146.03754	0.9
156.13602	0.6
160.05222	0.6
165.12859	0.8
167.14459	1.2
173.06166	0.5
183.13889	8.6
193.12367	3.2
211.13385	100.0
212.13748	6.4
226.06613	0.6
229.08795	0.5
239.07169	5.7
240.07611	0.6
271.13461	1.3
289.14450	13.6
290.14673	1.3
305.16638	0.7
315.15955	3.4
333.11563	2.4
333.17041	28.7
334.17340	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	333.1706
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
59.01369	0.4
69.03439	0.3
71.01372	0.4
71.49503	0.4
86.95647	0.3
93.03451	1.4
97.06560	0.7
109.02947	7.9
110.03298	0.6
121.02962	5.6
146.03716	1.9
155.10684	0.4
160.05174	0.3
167.10748	0.5
167.14415	0.6
171.79175	0.4
175.11227	0.4
183.12234	0.4
183.13885	8.1
184.14229	0.4
186.06807	0.4
193.12344	2.1
211.13379	100.0
212.13710	6.2
215.69807	0.3
217.08694	0.4
297.14905	1.2
315.16019	8.7
316.16354	1.1
318.08807	0.3
333.17044	10.6
333.20526	0.7
334.17361	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.94175	1.3
58.00575	4.1
58.43849	1.3
59.01379	98.7
61.28724	1.3
71.01379	47.5
71.03535	2.3
72.99309	3.9
73.02942	1.9
79.49622	1.5
81.33803	1.4
83.01395	2.1
85.02956	11.0
87.00874	4.3
89.02445	49.1
92.59951	1.5
95.01379	4.5
101.02435	41.3
101.26548	1.6
101.93192	1.4
111.08156	2.8
113.02455	21.4
115.00369	4.2
119.03506	26.0
125.30710	1.3
131.03494	2.7
143.03546	2.8
149.04601	1.4
155.07138	8.8
173.08160	5.6
175.02455	13.0
179.05643	3.2
192.27568	1.5
213.14819	1.5
335.13455	100.0
336.13858	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	335.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96765	0.4
57.03423	1.3
58.00592	1.0
59.01377	44.0
65.71659	0.4
69.47540	3.4
71.01378	20.2
72.01746	0.6
72.48836	0.5
72.99297	1.4
73.02936	1.4
74.97149	0.5
83.01396	1.6
85.02947	4.7
87.00884	1.2
89.02440	20.6
95.01375	1.0
101.02440	14.8
102.02763	0.4
113.02446	7.0
113.03186	0.8
119.03493	7.1
127.11288	12.1
128.11655	0.6
132.87624	0.4
143.03441	0.9
146.57294	0.5
149.04575	0.5
155.10771	20.4
156.11073	1.1
157.12326	1.0
161.04507	1.0
173.11813	20.7
174.12187	1.3
179.05594	0.8
195.29294	0.5
215.12852	0.9
335.17099	100.0
336.17444	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	336.9397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98816	0.9
69.91927	2.6
98.20680	0.6
119.93736	1.3
125.00191	0.5
134.96088	39.9
135.96178	3.1
136.94003	63.7
137.94073	3.9
146.53242	0.6
151.92702	4.6
152.91757	34.6
166.69406	0.6
167.90459	4.5
178.95052	100.0
179.95148	6.9
194.92799	51.4
195.93225	0.7
207.96201	0.6
210.90768	2.3
212.93900	3.0
245.89235	0.7
247.87115	0.7
248.37207	1.2
250.93982	2.5
252.91750	2.7
256.87692	2.3
274.88666	4.6
275.88910	0.6
287.85025	1.0
292.94974	12.1
293.95181	1.0
294.92883	15.9
295.93140	0.9
331.21088	0.6
334.67004	0.6
336.93958	81.2
337.94122	9.2
354.84222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
55.01858	0.8
56.37882	0.6
57.03414	0.7
59.01382	4.1
61.73069	0.6
68.99811	3.5
70.39255	2.0
71.01389	4.4
73.02947	1.4
75.00883	1.3
83.01363	2.7
85.02954	7.2
87.00869	2.3
89.02424	0.9
95.01377	1.5
96.99331	1.1
97.02942	0.9
99.00893	5.8
101.02432	2.9
111.00847	2.2
113.02443	7.0
113.99584	19.6
115.00395	7.1
127.00370	3.7
129.01936	3.3
157.01393	6.1
169.01378	1.6
170.68727	0.7
171.98009	0.6
174.01680	18.3
175.02356	2.4
262.87057	0.6
277.05643	21.7
277.08621	1.1
278.05975	1.3
286.71283	0.6
337.07758	100.0
338.08151	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.02447	0.7
57.03437	0.8
58.68064	0.8
59.01373	1.8
68.99817	2.4
70.60556	2.5
71.01385	4.0
73.02943	1.7
75.00881	1.0
78.48133	0.7
81.93313	0.8
82.40696	0.7
83.01378	1.3
84.35170	0.8
85.02933	6.3
87.00887	2.0
95.01374	0.9
99.00844	4.6
101.02436	1.6
110.89951	1.0
111.00876	2.6
113.02432	6.9
113.99583	18.3
115.00368	6.8
120.39392	0.7
122.62411	0.7
122.75425	0.7
127.00384	2.3
129.01932	2.2
133.01434	1.1
135.03017	0.8
140.71382	0.7
157.01414	6.0
159.34058	0.7
165.04022	1.1
169.01358	2.0
171.87979	0.7
174.01668	17.9
175.02327	1.8
240.33829	0.7
277.05603	20.0
278.05881	1.2
304.85782	0.8
337.07730	100.0
338.08060	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	337.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09687	0.8
57.03453	1.0
59.01376	84.2
61.98850	1.3
62.11311	0.8
67.62631	0.8
68.99809	3.2
69.03427	1.1
71.01376	15.8
71.49398	1.2
72.99285	1.1
73.02943	3.1
75.00869	1.4
75.15696	0.9
78.95896	1.7
83.01385	3.7
85.02952	9.9
87.00863	4.0
87.04507	1.1
89.02433	11.4
95.01373	2.1
99.00857	4.5
101.02428	11.0
111.00864	1.2
113.02445	14.2
113.06112	1.1
113.99583	18.0
115.00378	7.9
115.03999	3.6
119.03480	3.6
127.00352	2.2
129.01915	3.3
130.08740	0.9
131.03416	1.2
133.05055	1.9
139.00371	1.0
139.03989	1.8
157.01393	4.8
157.05009	1.5
161.04544	7.3
169.01472	1.4
174.01675	20.6
175.02493	2.2
179.05589	2.9
187.06064	1.2
233.94348	0.9
277.02646	0.8
277.05609	20.4
277.08926	1.6
337.07730	100.0
337.10938	3.9
338.08218	7.7
338.18378	1.2
340.85193	1.1
353.11987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
58.73300	0.8
59.01378	64.7
60.01708	1.2
61.98817	1.0
68.99810	3.7
70.77377	1.9
70.77715	1.0
71.01379	15.0
72.16610	0.9
72.99303	1.9
73.02937	3.3
75.00862	2.1
78.95895	4.4
80.57972	1.0
83.01361	2.5
85.02946	10.8
87.00858	4.4
89.02446	10.5
91.15965	0.8
95.01369	2.1
99.00878	5.8
101.02425	7.5
111.00872	1.9
111.01996	1.3
113.02448	9.0
113.06107	1.1
113.99590	18.6
115.00403	7.7
115.03985	2.6
119.03496	2.4
127.00346	3.4
129.01932	3.1
130.03125	0.8
133.05038	1.9
139.04070	1.2
157.01396	4.7
157.05069	1.4
161.04561	6.7
169.01408	1.7
174.01688	17.3
175.02452	2.7
175.09738	0.9
179.05612	1.4
223.23868	0.9
224.94543	0.9
277.02643	1.9
277.05643	19.2
277.08731	1.8
278.06058	1.3
337.07742	100.0
337.14713	2.8
338.08136	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	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17559	1.0
53.47478	1.0
59.01375	100.0
60.01679	1.2
69.55184	7.9
71.70187	1.2
80.17966	1.1
96.76641	1.1
98.19916	2.6
117.84606	1.2
120.65335	1.1
134.31635	1.2
165.03995	3.9
228.04849	1.1
327.18234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	1.1
71.41706	1.5
71.91107	0.9
76.94035	0.9
84.77370	1.0
95.92551	0.9
96.67712	0.9
106.56040	0.9
112.50528	1.0
117.59899	1.0
172.77634	0.9
175.02675	1.9
176.03500	3.2
225.04678	1.1
337.07538	1.8
338.08554	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	338.088
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.07153	0.3
54.56944	0.3
59.01121	0.4
59.01373	2.7
66.80240	0.3
69.16206	3.7
71.01354	0.5
75.00887	0.4
75.69176	0.3
86.16588	0.3
89.02495	0.5
92.05053	3.6
98.19942	0.6
102.03472	1.3
114.78901	0.3
118.03001	0.9
120.04548	2.7
133.53571	0.3
144.04510	0.5
146.02469	5.7
146.29918	0.3
147.03304	2.7
148.04048	4.6
158.02583	0.5
158.06131	0.6
162.98956	0.3
174.01964	1.2
174.05508	0.4
175.02734	58.7
176.03513	100.0
177.03899	3.9
186.05556	1.0
188.03485	1.3
338.08786	46.7
339.09094	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	338.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96449	0.4
59.01371	2.6
68.28777	0.3
71.01385	0.5
89.02416	0.4
92.05048	2.9
94.86427	0.4
102.03486	0.9
113.02441	0.5
118.02962	0.6
120.04549	2.2
128.53946	0.3
135.04524	2.4
144.04553	0.5
146.02457	4.8
147.03229	2.4
148.04056	4.3
158.06136	0.4
159.04504	0.8
160.03951	0.4
166.66933	0.3
174.01923	0.7
175.02727	57.8
176.03506	100.0
177.03880	4.7
186.05600	1.3
188.03523	1.3
207.04955	0.5
278.96030	0.4
293.08392	0.4
309.07587	1.0
324.10098	0.9
338.08777	51.0
339.09070	3.8
339.12503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.5
59.01376	15.4
71.01004	0.7
71.01377	8.2
72.99316	0.6
85.02934	1.2
86.65499	0.4
87.00871	0.4
89.02447	9.0
92.05035	3.3
95.01366	0.6
101.02441	4.9
102.03474	1.2
113.02426	2.8
118.02985	0.7
119.03486	4.0
119.36771	0.4
120.04566	3.1
126.28002	0.3
132.04543	0.5
143.06142	0.6
144.04552	0.5
146.02480	5.3
147.03267	2.3
148.04039	3.1
158.06126	4.6
161.04585	0.5
161.07214	2.5
174.01927	1.3
174.05670	0.5
175.02730	57.8
176.03510	100.0
177.03883	4.5
179.05623	0.7
186.05582	1.0
188.03473	1.7
199.66487	0.4
204.07768	1.3
207.05363	0.5
230.09407	0.7
248.69478	0.3
313.02130	0.4
338.08792	45.6
338.12302	2.4
339.08969	3.5
339.12167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0883
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.44394	0.2
59.01379	3.4
62.74190	0.3
67.22906	0.2
69.21590	2.0
69.22012	0.5
71.01380	0.6
75.00840	0.4
78.95901	0.4
85.02955	0.4
88.29952	0.2
89.02467	0.5
92.05064	3.5
101.02424	0.3
102.03489	1.3
118.03019	0.4
120.04553	2.7
121.02906	0.2
133.02946	1.3
144.04538	0.3
146.02509	1.9
147.03290	1.2
148.04068	2.9
158.02530	0.3
158.06097	0.4
163.03966	0.3
165.89868	0.3
175.02739	23.6
176.03522	100.0
177.02013	0.5
177.03871	4.5
186.05594	0.6
187.65880	0.3
188.03494	0.5
219.58714	0.2
228.75394	0.3
279.14471	0.3
338.08810	23.3
339.09174	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	338.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.7
59.01381	16.5
62.43637	0.4
71.01383	8.9
71.50197	0.5
72.01692	0.4
72.99304	0.6
83.01403	0.3
84.01071	0.3
85.02957	1.9
89.02446	10.7
90.02767	0.4
92.05058	3.4
95.01393	0.6
101.02443	5.2
102.03488	1.3
113.02457	3.2
118.03037	0.5
119.03498	4.9
120.04563	2.5
130.06696	0.4
131.03532	0.5
132.04587	0.6
143.03510	0.4
143.06116	0.7
146.02484	4.7
147.03275	2.7
148.04071	4.2
149.04485	0.4
158.06114	6.5
161.04567	0.3
161.07236	1.9
174.01976	1.0
174.05643	0.4
175.02748	58.5
176.03525	100.0
177.03917	4.5
179.05643	0.6
186.05606	1.3
188.03542	1.4
202.05162	0.6
204.07755	1.6
207.05070	0.7
230.09332	0.7
272.10303	0.4
338.08823	47.1
338.12341	2.8
339.09073	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	338.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.5
59.01374	20.8
60.01704	0.4
71.01379	11.9
71.50199	0.6
72.99306	1.0
73.02951	0.6
83.01387	0.5
85.02953	2.1
87.00838	0.5
89.02441	11.4
92.05048	3.2
95.01382	0.8
101.02434	8.6
102.03493	1.3
110.98026	0.3
113.02458	5.1
114.75296	0.4
118.03001	0.9
119.03493	6.1
120.04541	1.6
131.03505	0.6
132.04530	0.4
143.03496	1.2
143.06133	0.9
146.02466	5.0
147.03297	2.7
148.04050	3.7
149.04480	0.6
150.71162	0.4
158.06113	7.5
161.04492	0.5
161.07179	3.7
174.01912	1.2
175.02731	58.2
176.03513	100.0
177.03914	4.8
186.05553	1.1
188.03545	1.4
204.07779	2.4
207.05038	0.7
230.09384	1.1
338.08792	46.4
338.12399	3.0
339.08987	4.0
339.12640	0.7
347.10791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
56.98592	0.8
59.01376	100.0
60.01687	1.1
70.79967	1.0
70.80286	1.3
71.01380	3.2
73.02932	1.3
78.68864	0.7
80.04968	0.7
85.02927	2.1
89.02466	1.3
94.88525	0.9
101.02417	4.2
109.80906	0.8
113.02416	1.4
123.67661	0.8
133.02966	1.6
161.04556	2.2
177.01939	1.9
257.52560	0.8
279.14514	8.4
280.04443	0.9
339.07709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62792	1.4
59.01377	10.4
59.67807	1.5
60.54699	1.4
61.98818	1.7
71.01375	2.5
71.50846	2.5
72.99300	4.6
97.06584	5.0
101.02462	3.2
110.92844	1.3
121.03005	2.9
125.06080	18.3
143.07129	78.2
144.07483	2.8
151.11276	11.8
153.11626	1.3
167.10683	2.4
169.12323	100.0
170.12694	6.5
183.01180	3.7
184.36826	1.6
193.01753	5.3
213.11307	95.0
214.11641	4.6
237.14995	1.8
266.49756	1.5
309.07587	1.9
314.69287	1.4
321.20779	2.0
339.08734	2.2
339.12341	2.5
339.18262	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.30838	0.3
65.94864	0.3
70.09663	1.3
81.06248	0.3
85.76668	0.3
135.04196	0.3
147.08139	0.5
163.11281	100.0
164.11598	5.8
230.09824	0.3
339.23251	51.4
340.23590	8.3
340.27673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01379	6.3
64.35728	0.3
69.54703	0.7
69.55115	1.4
71.01378	3.0
85.02949	0.8
89.02435	2.5
98.19865	0.3
101.02441	1.5
113.02462	1.0
117.85178	0.3
118.93940	0.3
119.03498	0.9
132.02177	1.5
133.02956	26.7
134.03317	1.1
135.04512	7.7
146.85808	0.3
149.06036	0.8
161.02434	100.0
162.02763	5.4
175.04082	0.7
177.05562	1.3
179.03490	15.2
180.03844	0.6
183.53349	0.3
203.03499	1.5
221.04503	1.2
223.56030	0.3
233.04289	0.4
251.05618	0.8
281.06625	1.7
287.17081	0.3
341.08679	7.8
341.12448	0.5
342.09116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	0.4
59.01376	8.0
65.89909	0.4
66.93604	0.3
69.68374	1.3
69.68783	1.0
71.01371	4.6
72.99298	0.3
79.67753	0.4
81.58607	0.3
83.01394	0.4
83.46564	0.4
84.96786	0.3
85.02948	0.6
89.02450	4.0
95.04774	0.4
101.02438	1.8
113.02440	1.6
119.03480	1.0
122.21998	0.4
132.02185	1.1
133.02948	26.8
134.03268	0.7
135.04512	9.3
136.04796	0.5
149.05995	0.7
161.02428	100.0
162.02760	4.2
175.03981	0.4
177.05464	0.8
179.03487	16.1
180.03766	1.0
201.62552	0.4
203.03464	2.2
221.04524	0.9
225.88518	0.4
251.05540	0.9
281.06635	2.1
341.08643	10.5
342.08926	1.3
343.88666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.41858	1.1
57.03445	1.7
58.00582	4.5
59.01380	100.0
66.20684	1.0
70.97339	1.5
70.97668	1.8
71.01382	69.5
72.99303	2.2
81.23708	1.1
83.01384	1.8
85.02951	7.8
87.00874	4.4
89.02445	84.4
90.02741	1.0
95.01379	5.0
101.02444	32.5
102.29424	1.1
113.02446	26.5
114.70559	1.1
119.03499	32.4
131.03506	5.7
143.03535	7.1
143.49219	1.2
149.04561	4.4
161.02412	1.8
161.04549	10.2
161.32542	1.2
179.05615	30.3
189.80823	1.1
222.50815	1.2
233.53296	1.4
341.10901	37.7
342.11450	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.26339	0.6
55.01870	0.8
57.03452	1.3
58.00597	4.0
59.01381	100.0
60.01707	0.8
69.42133	5.3
69.42468	0.9
71.01382	68.1
72.99310	3.9
73.02969	1.8
83.01395	1.7
85.02948	8.9
87.00879	3.4
89.02446	84.6
90.02789	1.3
95.01411	4.2
98.19955	1.6
98.37851	0.6
101.02442	29.9
101.89539	0.7
102.02811	0.9
107.03499	0.8
113.02455	27.4
114.02785	0.8
119.03502	28.1
125.02396	0.8
131.03500	4.6
139.86876	0.6
143.03493	7.2
143.04509	1.0
149.04541	2.7
161.04527	9.9
179.05605	30.0
180.05986	1.1
190.99246	0.6
199.04865	0.7
341.10855	30.2
342.11179	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01869	1.6
57.03422	1.5
58.00567	3.0
59.01375	100.0
69.29515	7.7
71.01376	69.6
72.01677	1.4
72.99285	2.7
73.02935	1.9
83.01395	2.2
85.02937	10.1
85.50298	1.0
87.00856	4.0
89.02439	78.2
90.02812	1.2
95.01350	2.2
101.02431	30.5
107.04986	1.5
113.02445	25.4
119.03498	27.1
131.03476	5.8
133.02980	5.6
133.03783	1.1
135.04475	1.4
143.03506	7.6
149.04533	2.8
161.02437	19.9
161.04504	8.8
162.02748	1.3
167.30347	1.2
179.03479	4.2
179.05595	25.7
220.50972	1.1
290.76907	1.3
341.10925	31.3
342.10938	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
70.80624	4.6
71.01379	48.6
72.99303	2.4
73.02941	72.5
73.05747	1.3
76.01001	1.4
81.03416	1.4
83.01379	17.8
85.02930	4.0
87.00880	1.6
89.02438	22.5
95.01405	2.1
101.02434	49.1
101.95264	1.5
102.02091	1.4
109.81754	1.5
113.02451	15.1
119.03504	7.7
119.05033	16.2
125.02451	2.1
131.03508	3.9
137.06067	2.9
138.05597	1.6
141.40952	1.4
143.03500	4.6
149.02480	2.5
149.04494	3.0
151.00372	1.6
161.04501	7.8
179.05550	5.5
191.22746	1.3
233.93964	1.8
253.08592	2.0
272.67548	1.6
341.11185	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	341.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03461	1.3
58.00565	1.5
59.01377	100.0
60.01674	1.0
63.61755	0.9
69.03444	1.8
69.39735	6.1
69.40139	1.6
71.01379	58.6
72.99300	1.8
73.02943	45.4
74.03288	1.0
75.73688	0.9
83.01389	9.2
85.02949	12.1
86.43492	1.0
87.00902	2.0
89.01938	1.8
89.02447	22.5
89.03010	1.2
95.01385	3.2
97.02940	1.3
98.12105	0.8
98.14706	0.9
99.00854	2.1
101.01804	2.1
101.02438	33.9
107.05035	1.6
108.40535	0.9
113.02448	31.8
119.03547	7.3
119.05018	25.7
125.02452	1.5
127.78925	1.1
131.03473	4.4
133.62979	1.0
135.04486	1.1
143.03488	2.7
149.04520	1.3
151.00336	1.5
161.04555	5.2
179.03493	1.2
179.05592	4.0
228.75891	1.2
281.10300	13.6
282.00763	0.9
299.11356	3.4
341.11032	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	341.1241
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01865	2.0
58.00587	2.6
59.01380	100.0
60.01725	1.4
63.11161	1.3
63.33558	1.4
69.03429	1.7
69.92265	3.2
69.92666	4.1
71.01386	47.1
72.99330	2.3
73.02948	81.3
83.01389	19.9
85.02947	4.0
89.02433	14.9
91.35572	1.2
101.02442	56.5
107.05048	3.0
113.02447	12.8
119.03497	5.8
119.05029	21.6
125.02454	1.9
131.03496	4.6
132.72832	1.3
137.06099	3.7
138.05559	2.0
143.03496	4.5
143.14246	1.3
149.04570	3.4
155.03282	1.6
161.04515	7.8
199.79628	1.4
336.80426	1.7
337.04590	1.4
341.07300	1.4
341.11566	5.3
343.94971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31772	0.9
55.01866	1.0
58.00583	1.4
59.01376	100.0
60.01710	1.2
69.03449	0.9
71.01377	52.2
72.99308	2.6
73.02942	69.2
74.03299	1.4
76.80826	0.9
83.01375	15.7
85.02944	5.2
87.00890	1.5
88.69450	1.0
89.02437	28.3
95.01359	2.8
101.02438	50.2
102.02772	1.9
107.05038	1.3
113.02450	14.7
119.03521	9.8
119.05016	16.0
119.05844	1.6
120.82880	1.0
125.02456	2.5
131.03482	3.6
133.73244	0.9
135.04518	1.2
137.06085	2.4
138.05571	1.5
143.03484	4.0
149.04530	2.7
151.00354	3.1
155.03484	1.4
161.02437	1.3
161.04549	10.1
164.86298	0.9
179.05565	8.3
196.70422	0.9
229.33920	1.4
253.08803	1.3
254.04694	1.0
278.80960	1.0
299.11401	1.2
341.11276	7.5
342.11438	1.8
346.07275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52477	0.3
57.03424	0.3
59.01381	3.9
67.01883	0.3
69.03455	2.2
69.26902	2.6
71.01379	1.7
81.03464	0.3
83.05010	1.9
84.02164	2.4
85.02953	0.7
89.02416	1.8
95.05015	0.4
97.02950	1.1
97.06585	13.3
97.30489	0.3
98.06920	0.6
98.19898	0.4
99.04513	1.0
101.02446	0.7
111.08171	0.7
112.84879	0.3
113.02418	0.5
119.03487	0.7
119.05032	0.5
119.08675	0.5
121.02972	0.5
124.69865	0.3
125.09713	1.8
133.33080	0.3
137.09697	1.2
149.13371	0.5
151.00380	0.5
151.11269	0.5
165.12791	0.9
171.10263	10.5
172.10655	0.5
175.11259	1.1
177.12799	0.7
179.05563	0.4
183.13899	0.6
185.11832	0.7
191.10695	0.3
193.12335	18.9
194.12662	1.1
197.11714	0.4
197.15462	0.7
203.10750	0.6
211.07622	0.5
211.13403	3.7
221.05904	0.5
221.11826	1.1
225.14954	26.3
226.15375	1.7
229.35928	0.3
237.05565	0.5
239.06969	0.9
243.16000	10.1
244.16252	0.9
249.05661	0.6
253.14430	1.0
266.05853	0.6
267.06540	3.7
282.08893	1.2
291.19550	1.6
297.11292	1.2
305.21243	0.8
309.07687	1.5
323.22211	0.9
326.07919	1.0
341.10349	2.9
341.23294	100.0
342.23663	11.9
342.27899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90915	1.2
57.03449	1.5
58.00584	2.3
59.01378	54.1
61.98811	2.8
65.00316	4.6
69.03445	3.4
70.06277	4.3
71.01382	43.9
72.99322	2.6
79.85909	1.4
83.01376	3.4
83.05020	2.8
84.01720	1.3
84.02125	6.8
85.02925	5.0
87.00864	2.3
89.02444	48.4
93.76136	1.4
95.01406	1.6
97.02946	2.7
97.06590	10.8
99.04516	2.6
101.02439	20.5
105.78951	1.4
107.01396	9.6
108.37617	1.2
109.06562	1.6
111.08258	1.4
113.02424	14.1
117.03455	2.9
118.87385	1.5
119.03510	17.7
119.05017	33.9
119.08645	1.5
121.02941	28.8
131.03494	3.0
138.05627	1.7
139.95139	1.5
141.78253	1.6
143.03479	5.3
145.02931	3.1
149.04536	2.2
149.06075	2.0
151.00374	30.3
156.25195	1.4
161.02318	1.8
161.04543	5.8
161.05914	1.4
163.03987	19.7
165.12735	1.7
171.10271	15.7
173.06126	1.4
175.00380	8.1
178.99706	2.1
179.05598	18.0
193.12302	14.7
206.39218	1.5
211.13310	3.4
221.00848	1.6
225.14954	20.3
226.15448	2.2
243.16002	12.3
313.05676	4.9
341.10678	22.6
341.23294	100.0
342.11203	3.4
342.23715	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	341.2695
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
50.59309	0.7
56.34472	0.8
57.03446	1.2
58.13085	0.7
59.01381	17.5
65.00319	2.3
66.91328	0.6
69.03434	1.2
71.01381	13.6
71.50452	1.1
72.99321	1.5
75.70551	0.8
83.01396	1.3
84.04540	1.3
85.02947	2.1
89.02445	17.7
101.02454	7.7
107.01391	2.0
113.02486	3.9
119.03480	6.2
131.03510	0.8
138.05609	0.9
151.00340	10.7
161.04565	1.7
171.10234	0.8
175.00374	4.9
179.05595	5.5
190.71181	0.9
277.25214	1.6
279.26920	66.6
280.27298	6.2
297.27945	1.1
313.05743	0.9
323.25888	21.9
324.26218	1.7
341.05090	1.2
341.10944	5.9
341.26938	100.0
342.27094	11.3
342.30380	1.1
348.31998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19774	0.3
58.26058	0.4
59.01376	86.1
60.01706	0.9
69.69285	0.7
69.69688	1.3
98.19844	0.3
113.04598	0.5
113.43877	0.3
120.37466	0.4
121.02959	2.5
157.03551	7.5
158.03714	0.7
159.01443	1.5
201.02538	100.0
202.02695	9.6
286.34982	0.4
342.91843	0.3
343.03635	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.30135	0.4
59.01381	10.7
61.88044	0.6
64.64730	0.6
67.88828	0.6
68.84240	0.5
69.74384	1.5
69.74799	1.6
71.01385	2.4
73.02934	1.2
82.03378	0.5
83.66779	0.5
85.02980	0.6
89.02457	0.6
94.96603	0.5
95.01409	0.5
97.02994	0.6
104.60464	0.5
107.04967	0.7
108.02193	0.5
109.02962	0.5
113.02450	1.1
115.04041	0.6
119.05045	0.7
121.02962	5.9
121.06603	1.2
122.03754	9.2
123.04506	1.9
135.04535	2.7
136.05302	72.2
137.06013	7.7
138.06487	0.7
149.06036	1.0
151.03986	1.1
161.06128	0.6
163.04063	0.8
166.02727	1.0
179.03409	0.5
179.07146	2.3
180.04291	100.0
181.05043	22.0
181.08556	0.6
182.05406	1.4
191.07201	2.7
193.05034	2.4
211.14153	0.6
223.06015	0.8
239.12988	1.0
253.07210	1.7
255.10196	0.8
283.12036	0.6
302.87396	0.7
313.95306	0.5
343.10342	62.4
344.10666	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01705	1.8
68.63866	0.9
69.19178	6.0
69.19603	3.5
71.01379	6.7
73.21182	0.9
85.02940	2.2
89.02435	6.3
101.02433	2.6
113.02395	2.0
119.03543	1.5
121.02954	9.3
126.48740	0.9
138.05606	1.6
165.98224	0.9
182.04559	0.9
200.42114	1.0
225.01819	0.9
256.89691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
67.66393	0.7
69.03455	0.8
69.40716	2.4
69.41146	2.3
71.01334	0.7
78.23508	0.5
79.72015	0.5
83.05007	1.2
86.03633	0.6
95.45862	0.6
97.06583	0.9
99.08154	6.4
117.23402	0.6
121.02912	3.5
121.10220	5.1
125.09715	1.0
127.11310	1.1
137.09702	2.4
149.13368	0.6
167.76949	0.7
171.10255	34.0
172.10599	1.2
193.12312	11.1
196.64281	0.7
211.13348	1.9
225.14955	14.5
226.15196	1.2
243.15994	4.9
289.18106	2.4
293.21280	2.5
325.23920	1.3
343.24866	100.0
344.25162	11.4
354.94016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.77898	0.4
59.01375	0.9
66.74490	0.4
69.03464	2.5
69.39408	2.2
69.39828	1.6
77.57082	0.5
80.91531	0.5
83.05016	1.6
97.06590	1.2
99.08153	12.1
111.08133	0.6
121.02939	3.0
121.10255	1.0
125.09705	1.8
127.11297	0.6
137.09700	1.5
149.13342	0.5
155.66992	0.5
165.12798	1.2
171.10275	7.8
175.11246	0.9
176.05383	0.5
193.12320	18.7
194.12654	1.4
194.92644	0.5
197.15437	0.8
211.13376	3.8
225.14948	26.5
226.15291	1.4
243.15976	10.2
269.57175	0.5
293.21225	1.7
311.22113	1.1
325.23779	0.8
343.24857	100.0
344.25229	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
67.66393	0.7
69.03455	0.8
69.40716	2.4
69.41146	2.3
71.01334	0.7
78.23508	0.5
79.72015	0.5
83.05007	1.2
86.03633	0.6
95.45862	0.6
97.06583	0.9
99.08154	6.4
117.23402	0.6
121.02912	3.5
121.10220	5.1
125.09715	1.0
127.11310	1.1
137.09702	2.4
149.13368	0.6
167.76949	0.7
171.10255	34.0
172.10599	1.2
193.12312	11.1
196.64281	0.7
211.13348	1.9
225.14955	14.5
226.15196	1.2
243.15994	4.9
289.18106	2.4
293.21280	2.5
325.23920	1.3
343.24866	100.0
344.25162	11.4
354.94016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58857	0.9
59.01368	4.4
61.98827	100.0
64.47440	1.0
69.66142	5.0
71.68530	0.9
98.19944	0.9
98.21511	0.9
98.69229	0.9
110.33315	1.1
110.57471	1.1
123.04509	4.0
139.14592	1.0
173.35429	1.2
262.33234	1.2
274.86163	1.0
338.23630	1.0
369.42130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	5.1
59.01071	2.9
59.01373	59.7
60.01704	3.1
64.90089	1.5
67.36559	1.5
69.36008	12.3
70.02980	2.2
71.01376	15.6
73.04057	7.7
76.84689	1.5
81.02202	4.3
82.02959	2.2
84.04553	1.9
85.02950	4.7
87.05665	2.0
89.02430	9.0
95.01385	2.6
96.00904	9.2
97.04072	1.9
98.02474	22.8
98.19958	3.4
99.05609	2.3
101.02442	6.3
108.02183	3.3
109.01717	3.3
109.02949	6.3
110.02471	7.2
110.03275	4.4
111.03271	1.5
113.02451	5.3
113.03581	5.2
114.01936	1.4
115.05109	3.6
116.07155	23.8
119.03452	4.6
121.02913	2.7
123.04562	20.9
124.07700	7.6
125.07223	2.5
126.05660	3.6
130.08730	89.9
131.09050	4.9
136.05290	10.8
137.05612	13.4
138.09215	12.8
139.00333	2.2
140.07166	4.7
140.10782	3.5
152.07156	21.8
157.13448	38.4
158.13776	2.3
161.04535	4.2
165.09190	15.1
166.08698	9.6
169.06186	3.3
178.78525	1.6
180.04256	16.0
181.04640	20.0
182.05447	4.0
185.16556	5.5
190.07491	2.0
201.12436	13.6
204.08725	1.6
211.14427	7.9
213.08737	3.3
214.15581	34.3
219.15005	3.0
221.16533	11.3
227.06773	4.5
228.07466	3.0
229.15512	9.4
240.13168	1.8
247.14499	7.5
255.10222	4.6
256.10587	27.3
257.10883	2.3
265.15604	8.8
300.15613	66.0
301.15991	7.3
309.14511	100.0
310.14697	7.5
326.17184	38.0
327.17926	2.3
344.10815	20.9
344.18134	22.5
345.10706	4.7
345.15402	4.5
345.19119	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	344.1828
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
50.46504	0.7
55.87566	0.6
58.02680	0.7
58.02977	22.3
59.01380	34.3
60.01695	1.0
61.98798	0.7
63.18160	0.6
63.46487	0.7
64.56899	0.7
67.01826	0.6
70.28535	0.6
71.01382	3.7
73.04053	2.7
74.02477	1.0
80.07409	0.6
82.84711	0.6
85.02946	0.6
88.04042	100.0
89.02434	2.0
89.04382	1.6
90.34718	0.6
91.91625	0.7
98.02463	1.8
98.20762	1.3
101.02425	1.5
101.07199	1.5
108.08205	1.9
110.06071	0.6
113.02456	1.2
115.05138	2.5
116.03510	1.4
119.03530	1.0
119.05045	0.9
120.05340	0.9
121.02961	1.4
122.03356	0.8
123.04523	28.7
126.04353	1.2
129.10324	1.1
140.07188	0.7
140.10783	0.7
141.10281	0.9
143.11807	0.8
152.07182	9.8
157.13458	14.5
161.04527	2.3
167.11894	1.1
168.11446	1.0
169.09828	2.0
183.11476	0.7
183.92514	0.6
196.09735	1.3
201.12451	14.5
202.12813	1.2
210.12312	1.7
211.10889	7.9
214.15591	16.1
215.15904	1.1
256.10608	1.0
256.16681	1.1
258.14600	1.3
285.09802	0.9
300.15643	88.7
301.15988	7.3
326.16937	0.8
344.14105	1.1
344.18231	6.9
345.11838	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	345.1089
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01377	49.2
69.19306	7.6
69.19720	2.7
71.01369	4.3
76.53971	1.0
93.06015	1.0
95.03754	2.9
95.05018	1.9
96.04569	1.5
96.08160	1.2
98.20694	1.7
101.02404	1.4
104.05052	2.4
105.03470	1.4
106.06606	4.1
107.85194	1.0
113.02420	1.2
115.16206	1.0
117.24149	0.9
122.06115	3.0
123.04518	51.8
124.04818	1.4
124.07658	6.8
132.04547	32.6
133.05348	22.1
134.06187	5.7
144.62729	1.0
148.03964	2.4
149.02501	1.5
150.05617	2.2
153.34904	1.0
161.04547	2.3
165.04314	20.3
166.04710	1.1
177.04289	5.2
178.05086	1.2
183.10228	1.1
186.09229	4.0
187.08635	1.3
197.09714	1.4
199.17522	1.0
209.03217	4.4
213.06659	4.6
214.12335	5.4
215.11838	5.6
229.09741	4.6
240.10333	1.3
241.09990	2.5
255.11444	1.8
257.12921	26.2
258.13190	1.8
283.10815	9.6
301.11896	19.1
302.12250	2.4
327.09579	1.7
345.10883	100.0
346.11200	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	345.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89182	1.1
59.01378	94.6
69.43541	7.1
71.01373	4.2
73.02928	1.4
74.02466	1.0
84.34167	0.9
85.02945	1.9
87.00852	0.9
87.05701	1.0
89.02447	2.2
95.05023	2.4
98.20621	1.9
101.02429	2.2
102.05569	1.1
105.03471	2.6
113.02437	3.0
119.03490	1.3
123.00883	2.1
123.04520	100.0
124.01669	5.8
124.04863	4.7
128.03491	1.5
139.03986	2.6
150.04150	1.1
151.04599	0.9
159.02979	1.1
161.04593	4.7
166.99828	3.1
265.04770	1.0
285.09650	1.5
309.08252	3.6
330.05884	1.5
345.08319	7.2
345.17795	1.2
357.49704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
60.01722	0.5
60.47923	0.2
61.93685	0.2
61.98831	100.0
65.67555	0.2
66.65894	0.2
69.91124	0.6
69.91533	0.4
96.98237	0.2
108.91286	0.2
123.03703	0.2
123.04486	0.9
124.04838	0.6
159.03293	0.3
179.10280	0.2
186.95531	0.2
201.02571	0.6
202.02693	1.2
203.02284	1.3
203.99991	43.0
205.00121	3.2
206.94777	0.2
239.66609	0.2
346.01245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
63.02391	2.8
65.00312	3.6
69.21802	7.3
83.01388	2.1
85.02943	1.1
93.03474	0.8
95.01395	1.2
107.01369	7.7
110.70494	0.7
117.03461	2.5
123.04505	2.8
124.01682	1.1
132.02182	0.9
135.00911	0.9
140.41795	0.7
144.01231	0.7
151.00357	26.6
151.01569	1.3
152.01164	8.1
155.05035	1.3
159.04546	1.1
163.00310	0.8
167.03474	3.0
167.04898	1.1
171.04485	1.4
178.99866	9.5
180.00230	0.9
183.03116	1.0
183.04514	5.6
185.06152	0.9
187.03958	0.8
195.02908	1.7
195.04486	1.1
199.03993	0.9
200.04802	0.9
211.03894	4.2
221.00806	0.7
227.03485	13.5
228.04123	1.7
239.03542	3.4
240.04294	2.4
241.04997	1.2
255.02971	69.6
256.03619	13.6
257.04431	2.7
283.02466	34.0
284.03235	52.1
285.03891	16.0
286.04391	2.0
315.05084	100.0
316.05444	11.1
347.07681	17.1
347.16913	0.8
348.07986	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	347.1288
Annotation	Gymconopin B
Peak:m/z	Relative Intensity
65.03985	0.5
70.85770	0.5
70.86104	1.1
90.31195	0.6
93.03461	100.0
94.03786	4.1
96.84065	0.5
181.06578	1.1
195.08171	0.7
197.06119	0.9
198.06828	1.7
210.06895	1.0
211.03918	1.0
211.07613	1.5
225.05577	1.0
226.06369	6.6
237.05611	4.3
238.06363	8.5
239.07129	58.5
240.07469	5.3
241.08748	4.8
253.08708	21.3
254.09029	2.1
287.10785	1.0
303.10233	2.1
304.10931	0.8
315.10315	0.8
331.09595	2.1
332.10510	11.4
333.10904	1.3
347.12866	80.3
348.13211	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	347.1286
Annotation	trans-Anhydrotephrostachin
Peak:m/z	Relative Intensity
52.74157	0.4
59.01364	0.8
59.65236	0.4
61.59261	0.4
69.24360	0.4
71.05144	1.0
84.17165	0.4
93.03457	5.0
97.70364	0.5
123.04490	0.6
163.07813	0.4
181.06561	0.5
183.04488	0.8
196.05258	1.4
209.06049	0.5
224.04680	1.4
225.05563	9.6
226.06143	1.2
235.33466	0.4
237.05547	13.3
238.06155	2.4
239.07115	5.2
240.07481	0.6
253.08652	1.2
287.10907	0.4
289.08652	1.0
303.10153	1.7
317.08051	1.1
331.09729	25.3
332.10489	48.4
333.10898	5.3
347.12848	100.0
348.13184	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	348.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.45419	4.5
69.45569	29.0
71.01366	6.8
98.20724	8.9
122.03718	9.4
135.04538	9.9
147.04532	7.3
154.36597	4.6
160.05257	4.4
162.03259	9.4
162.06793	7.1
179.03493	13.3
188.04755	7.1
199.30551	4.7
217.45569	3.9
237.10684	4.6
242.57242	4.9
246.22032	5.0
259.13397	61.7
277.14429	43.0
285.14932	16.0
299.71222	4.1
303.15964	9.9
313.14514	9.4
331.15430	25.3
337.13892	5.0
349.16541	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	18.3
61.01778	9.2
61.98826	100.0
69.70779	34.1
79.62849	5.6
99.19643	5.9
105.14015	5.6
123.04498	13.9
124.04850	12.2
125.05127	5.9
125.31268	6.0
181.62489	6.3
223.67099	7.4
233.53671	6.9
252.48248	5.8
331.22461	6.3
335.54977	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03323	0.2
59.01368	0.2
61.98832	100.0
63.98935	0.2
70.63286	0.4
70.63663	0.4
87.23219	0.2
87.94994	0.2
101.85004	0.2
147.96240	0.2
162.98480	2.1
181.71727	0.2
204.00037	0.3
205.00073	0.5
205.99661	0.5
206.97447	72.6
207.97568	6.6
241.54222	0.2
256.99274	0.2
364.73190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
70.35715	1.7
71.01405	0.5
93.03455	86.8
94.03772	2.5
101.02427	0.6
153.42586	0.5
159.73251	0.5
196.08919	0.7
197.06044	1.0
198.06824	1.9
200.62263	0.5
209.06116	0.8
210.06854	7.9
211.07472	1.0
225.05518	5.0
227.07159	1.0
238.06339	5.6
239.07115	18.7
240.07877	20.1
241.08299	1.8
243.10280	1.3
253.08685	19.4
254.09102	2.0
255.10248	100.0
256.10599	7.9
259.13263	1.1
268.47864	0.7
323.41983	0.5
349.10742	0.6
349.14337	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	349.1442
Annotation	3,3'-Dihydorxy-4-(4-hydroxybenzyl)-5-methoxybibenzyl
Peak:m/z	Relative Intensity
53.03801	0.4
59.01369	1.2
68.78806	0.5
70.81178	0.4
71.01392	0.5
72.99702	0.4
81.03452	0.5
87.32031	0.5
93.03453	29.7
94.03780	0.9
95.01360	0.6
96.95994	0.5
103.33091	0.4
108.02177	1.3
109.02965	1.2
119.05000	0.8
121.02953	4.8
122.03738	2.3
125.02467	0.6
134.03729	5.4
135.04413	0.6
136.05318	0.6
143.04993	0.5
151.03998	1.8
156.72601	0.5
157.06586	0.7
158.07339	0.7
171.08130	1.7
180.12122	0.5
181.06622	0.9
183.08191	2.5
184.08771	0.6
185.06082	1.7
186.06755	0.7
199.07645	12.0
201.09277	2.4
202.16183	0.5
210.06940	0.8
211.07570	0.6
213.05602	0.7
215.60350	0.5
225.05499	2.1
226.06190	1.1
227.07123	45.5
228.07736	5.4
228.91655	0.6
239.07153	10.0
240.07822	3.6
241.08682	12.3
242.08942	1.4
243.10239	100.0
244.10577	7.6
253.08673	1.5
255.10237	23.9
256.10577	2.4
259.13342	0.6
287.19998	1.0
349.14404	63.1
349.19684	2.4
350.14737	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	349.1654
Annotation	Ambuic acid
Peak:m/z	Relative Intensity
53.70199	0.6
59.01364	2.7
61.98537	0.9
61.98832	10.7
65.72253	0.6
68.93278	0.6
71.01382	10.2
71.50578	0.6
74.78654	0.7
84.63903	0.7
87.93607	0.7
102.60751	0.7
108.96577	0.6
117.61324	0.6
122.03739	15.9
123.04524	1.3
135.04523	3.0
136.05357	0.8
137.02452	1.1
146.03734	4.9
147.04504	10.0
148.05296	0.9
149.06114	0.8
150.03215	1.4
159.04546	3.6
160.05302	0.9
161.06068	4.1
162.03246	8.0
162.06860	11.8
163.03931	0.9
163.07481	0.8
172.05289	1.3
173.06055	1.2
174.03201	1.3
174.06677	0.6
187.04010	4.5
188.04707	4.7
188.08385	1.6
209.44617	0.6
211.13373	2.0
212.25977	0.7
215.10811	0.8
231.13914	1.8
233.15480	3.1
241.12270	1.7
244.10887	0.8
259.13370	100.0
260.13681	8.4
262.51273	0.7
269.11844	2.1
269.15219	1.3
277.14423	66.8
278.14774	5.7
283.13354	1.2
285.14832	1.1
287.12912	3.9
287.15579	0.6
295.13425	4.6
301.14584	1.0
303.15875	0.8
313.14435	13.8
314.14740	1.2
316.13165	1.1
331.15494	14.7
332.15729	1.0
349.16541	67.9
350.16907	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	349.2385
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
57.03435	1.6
59.01378	9.2
61.85680	0.8
67.81300	0.8
68.43771	0.9
70.39530	2.6
70.39883	0.9
71.01386	19.2
72.99281	1.0
73.02953	6.7
75.00874	100.0
84.02168	1.1
87.00864	1.5
89.02437	2.5
96.54325	1.0
96.95995	2.1
97.06626	1.3
102.52198	0.8
117.11275	0.9
125.06071	1.6
139.07596	1.0
139.60101	0.9
141.83440	0.8
142.57030	1.0
205.19620	1.1
273.22180	3.4
275.23730	1.1
277.21719	16.8
278.22018	1.8
287.23740	1.9
289.21619	3.5
289.24506	1.1
291.05865	0.9
291.23380	5.6
301.21677	1.3
303.23358	7.2
305.21277	1.3
319.22803	32.7
320.23038	2.8
331.22815	16.7
332.23114	2.6
349.19696	1.3
349.23834	22.2
349.28021	1.7
350.24133	2.7
372.11612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2382
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
55.93217	1.4
57.03454	1.5
59.01375	15.1
71.01385	20.5
71.50825	1.8
72.99319	2.8
73.02951	4.9
75.00872	100.0
89.02447	1.7
94.90450	1.3
98.89050	1.4
109.64899	1.4
139.07684	1.8
167.14499	1.6
245.68015	1.3
249.58537	1.5
261.22226	1.5
273.22375	2.5
275.23825	2.3
277.21738	17.2
278.22110	1.8
289.21762	4.0
291.23346	6.8
303.23260	7.2
304.23364	1.8
319.22760	34.9
320.23022	4.2
331.22809	17.5
332.23294	2.1
349.23834	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16177	0.3
52.26926	0.3
59.01379	12.2
66.82204	0.3
69.38181	3.0
69.38528	0.5
71.01382	5.4
72.99319	0.4
75.94705	0.4
85.02955	1.4
86.84270	0.3
89.02437	5.3
98.20701	0.8
99.08150	0.8
101.02440	3.0
103.52883	0.4
113.02464	2.3
119.03500	2.2
124.08102	0.4
127.07652	100.0
128.07971	3.2
140.32100	0.5
143.03484	0.5
145.08714	1.1
153.05602	0.6
154.62447	0.4
168.22130	0.4
171.06624	95.8
172.06892	2.1
179.05615	1.1
307.14081	2.2
326.25195	0.4
351.12949	48.4
352.13306	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
58.00564	0.3
59.01380	11.2
69.38025	0.6
69.38452	0.5
70.00688	0.2
71.01382	5.2
71.39873	0.2
72.99297	0.2
83.01378	0.4
85.02947	1.3
89.02446	4.9
95.01389	0.3
99.08172	0.5
101.02436	2.7
112.70626	0.2
112.71487	0.2
113.02451	2.0
114.96457	0.2
119.03486	1.6
127.07650	100.0
127.45235	0.2
128.07983	2.4
143.03534	0.2
145.08722	1.1
152.78783	0.2
153.05585	0.3
161.04544	0.2
167.44772	0.2
171.06622	77.7
172.06946	2.1
179.05638	0.5
254.57413	0.2
307.13971	1.6
351.12939	36.6
352.13254	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
58.00581	1.6
59.01375	73.8
60.01700	1.9
69.53825	1.1
70.28695	3.8
71.01376	42.1
71.41300	1.2
72.99300	2.3
83.01393	1.6
85.02950	6.8
86.80058	1.1
87.00871	2.7
89.02438	59.0
90.02766	1.4
95.01385	2.5
99.08150	4.8
99.08751	1.1
101.02437	20.7
113.02431	16.8
119.03490	21.3
123.46976	1.1
127.07642	100.0
128.07985	4.0
129.05588	13.3
131.03497	3.2
133.01480	1.5
143.03485	5.2
149.04494	1.4
153.05602	5.6
161.04547	5.4
171.06609	63.7
172.06927	1.6
179.05582	15.8
189.07658	3.5
259.13403	1.6
262.06018	1.1
291.10867	1.2
310.93494	1.3
351.12906	34.6
352.13422	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34884	1.6
59.01380	31.5
71.01382	4.8
89.02442	4.7
98.17532	1.6
101.02470	2.1
107.79035	1.8
119.03517	2.9
127.07657	100.0
128.07990	4.5
144.24994	1.7
171.06636	84.0
172.06963	3.7
216.55215	1.7
307.14044	2.2
351.12967	36.3
352.13345	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20888	0.3
57.03450	0.5
58.00579	0.5
59.01380	10.8
60.18003	0.3
70.91559	0.4
70.91895	0.5
71.01383	4.9
71.45061	0.3
83.01399	0.3
85.02952	1.2
89.02450	5.3
95.01364	0.6
99.08197	0.8
101.02422	2.2
101.21463	0.3
113.02438	1.7
119.03500	1.8
127.07652	100.0
128.07994	3.9
145.08708	0.8
151.01639	0.3
166.22427	0.3
171.06627	79.2
172.06984	3.0
179.05560	0.5
220.69121	0.3
235.38715	0.4
307.13889	1.6
351.12952	35.7
352.13254	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83515	0.4
57.03430	0.4
58.00581	0.5
58.34482	0.4
59.01378	11.2
63.56969	0.5
63.76036	0.5
69.31889	2.6
69.32298	1.0
71.01379	5.4
85.02947	1.4
89.02441	4.4
99.08134	0.8
101.02435	2.6
113.02459	2.0
119.03511	1.3
124.26566	0.4
127.07648	100.0
128.07986	4.0
145.08681	1.0
161.04596	0.4
171.06621	73.3
172.06956	3.7
179.05643	0.8
191.67287	0.4
192.12369	0.5
307.14053	0.9
351.12955	39.8
352.13293	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	351.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42634	0.6
55.25766	0.6
59.01377	12.1
64.03012	0.6
69.60418	3.7
71.01373	6.7
72.99310	0.8
85.02946	1.6
89.02441	5.6
95.01389	0.8
99.08142	1.1
101.02442	2.9
102.28131	0.6
113.02442	2.1
119.03506	2.0
127.07647	100.0
128.07968	3.9
137.02495	0.8
161.04370	0.7
171.06616	74.6
172.06984	3.1
176.74225	0.7
222.67366	0.7
259.13428	0.9
260.13672	0.8
261.13931	2.3
279.14944	1.6
307.13934	1.5
325.37045	0.7
351.12939	39.4
351.17004	2.2
352.13263	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	1.3
69.59243	4.3
71.01389	1.8
88.92545	0.6
89.02448	1.8
101.02472	1.3
113.02452	0.8
118.60854	0.7
119.03519	0.7
127.07654	11.6
128.08092	0.7
128.57259	0.7
171.06619	10.5
345.40454	0.8
351.12955	5.0
351.16592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.4
60.72915	0.8
64.13292	0.8
69.27121	2.5
69.27537	4.4
71.01379	3.6
85.03008	1.0
86.45975	0.9
86.58527	0.7
89.02416	1.7
98.19878	1.8
101.02461	2.2
113.02482	1.5
117.14862	0.8
124.05262	0.8
127.07647	19.0
128.07974	1.2
129.02209	0.7
145.08643	0.8
171.06621	15.0
246.01266	0.7
294.89172	0.8
333.99188	0.8
351.12732	7.6
351.20380	1.0
371.54208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01377	15.8
59.92898	1.8
71.50993	2.2
82.00266	1.8
95.05008	7.8
96.95989	8.9
96.96804	2.2
106.80691	1.6
111.93160	2.3
115.98446	1.8
127.07635	4.1
146.98199	1.9
149.39958	1.7
171.06612	5.3
195.13860	7.9
222.93039	1.8
223.13383	5.6
261.78342	2.0
275.20120	3.1
278.11319	14.1
293.21179	47.1
294.21576	3.7
351.17029	100.0
352.17340	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82774	5.6
54.64124	6.5
59.01376	100.0
79.95744	10.6
81.02014	6.2
82.36533	5.6
82.89452	5.6
85.02986	7.0
87.04514	16.4
89.02451	11.8
93.66369	6.1
96.16645	6.1
96.95972	6.5
129.08191	5.5
131.97746	6.5
137.09721	7.8
143.08891	5.7
168.77713	5.6
171.06584	6.5
205.12321	17.5
207.93459	5.7
248.58363	6.2
286.61575	6.3
305.72647	6.4
353.06857	18.0
353.13367	12.4
353.23264	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82774	5.6
54.64124	6.5
59.01376	100.0
79.95744	10.6
81.02014	6.2
82.36533	5.6
82.89452	5.6
85.02986	7.0
87.04514	16.4
89.02451	11.8
93.66369	6.1
96.16645	6.1
96.95972	6.5
129.08191	5.5
131.97746	6.5
137.09721	7.8
143.08891	5.7
168.77713	5.6
171.06584	6.5
205.12321	17.5
207.93459	5.7
248.58363	6.2
286.61575	6.3
305.72647	6.4
353.06857	18.0
353.13367	12.4
353.23264	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	353.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98829	1.2
63.13910	0.8
69.19789	10.1
100.46680	0.9
153.08916	0.9
171.07962	1.1
182.61658	1.0
184.05283	50.4
185.05573	4.1
191.05562	2.5
199.07623	15.2
211.03922	6.2
212.04770	27.4
213.05432	5.5
213.72705	1.0
215.03587	1.3
217.08626	1.4
227.07121	14.8
228.07457	1.9
239.00999	1.2
239.03481	26.1
240.04210	17.9
241.05046	14.0
242.05522	1.8
243.06551	4.9
251.07094	2.6
255.06604	100.0
256.07208	19.0
257.07864	1.1
266.09424	9.8
267.09885	1.2
271.07852	1.0
272.03268	8.0
276.12347	0.9
281.11804	5.7
338.11548	1.3
353.13895	98.7
354.14139	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	353.1392
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
54.99075	0.9
59.01369	4.6
71.50513	0.9
88.30756	0.8
99.39156	0.8
105.86121	1.0
141.22491	0.9
170.33498	0.9
183.01160	2.1
184.05270	47.7
185.05589	3.2
191.05614	2.4
199.07614	16.1
200.07957	0.9
211.03958	5.7
212.04779	27.3
213.05351	2.2
217.08643	1.6
226.06357	1.1
227.07112	16.6
228.07350	1.7
239.03474	27.5
240.04230	17.4
241.04875	3.2
242.43987	1.1
243.06627	3.4
243.39461	1.0
251.07025	1.3
252.07913	3.2
255.06602	99.2
256.07013	10.2
260.89828	0.9
266.09299	1.0
272.03238	8.5
280.07471	5.2
295.09747	4.0
338.11462	1.4
353.13922	100.0
353.17566	3.6
354.14255	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	353.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54400	0.9
59.01365	5.4
63.51229	0.9
67.73264	1.0
70.98058	2.0
111.66904	0.9
122.01379	0.9
158.37029	0.9
171.10229	6.7
173.04446	1.0
181.12317	1.4
182.39523	1.0
184.05278	46.1
185.05579	3.2
191.05592	3.0
199.07635	15.7
200.07935	1.0
211.04031	6.4
212.04768	30.2
213.05519	4.4
217.08760	1.5
227.07114	17.6
228.07434	1.3
239.03499	27.7
240.04202	17.1
241.05055	12.3
242.05431	1.8
243.06514	3.8
251.07082	1.9
255.06602	100.0
256.07184	20.0
257.33353	0.9
266.09485	7.9
272.03287	9.7
275.20154	1.6
281.11755	5.8
338.11337	1.9
353.13815	95.0
354.14127	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	353.1393
Annotation	Vismione B
Peak:m/z	Relative Intensity
54.56016	0.4
60.11430	0.4
64.68970	0.5
66.03432	0.5
77.99570	0.5
96.96002	1.5
159.60980	0.5
174.08267	0.5
212.04817	0.8
213.05472	0.6
226.06418	0.7
238.06358	0.7
238.09914	0.6
240.04118	0.7
241.05051	3.3
251.10878	1.1
253.05022	0.7
253.08640	0.8
254.05782	0.8
254.09477	1.6
255.06624	3.5
256.07349	4.1
262.17746	0.5
263.07056	0.6
265.05185	0.9
265.08673	0.8
266.05811	11.1
266.08929	0.9
267.06497	4.3
267.09952	2.7
269.08163	1.9
279.06467	1.1
280.07343	3.5
281.05133	0.4
281.08182	10.1
282.08896	15.1
283.09210	1.1
285.07800	0.6
293.08206	1.8
294.08917	7.8
295.09708	20.4
296.10242	3.2
297.07898	0.9
297.11279	11.0
298.11575	1.3
309.07626	3.7
309.11304	10.8
310.08377	0.6
310.11929	8.1
311.12225	0.6
320.10617	0.8
324.10043	2.5
334.12491	0.6
335.12811	1.4
338.11597	15.2
339.11945	2.0
353.13901	100.0
353.83899	0.5
354.14258	15.5
354.78638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.42281	0.3
59.01362	0.3
62.52250	0.4
69.60010	1.1
69.60413	1.0
79.95721	2.5
83.29313	0.4
85.69444	0.3
87.94575	0.3
88.11548	0.4
92.57940	0.4
96.95999	15.9
103.42463	0.4
122.97562	0.9
143.18855	0.4
163.11270	89.7
164.11586	6.1
177.09187	68.9
178.09521	3.7
252.76001	0.4
318.58746	0.4
353.21100	100.0
354.21466	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	355.0883
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
51.91799	1.5
57.03449	8.5
59.01371	24.3
66.35545	1.7
67.01863	2.2
68.99813	1.7
69.03436	5.1
70.91831	3.2
71.01009	2.7
71.01377	33.7
72.99303	60.8
73.02940	72.8
75.00864	2.6
83.01370	6.5
85.02946	61.8
86.03249	1.7
87.00862	6.4
89.02409	4.0
90.01601	1.6
90.09377	1.5
92.51765	1.4
95.01389	13.4
96.95982	1.4
96.99310	3.0
99.00888	12.9
101.02436	24.0
103.03972	5.5
113.02443	100.0
114.02731	4.8
115.00352	11.0
119.03480	2.8
120.57482	1.5
129.01936	21.5
131.03488	62.9
157.01405	23.8
161.04559	2.4
175.02460	81.9
176.02705	1.9
179.05617	1.9
242.76009	1.5
257.93915	1.6
265.05588	12.8
295.06610	2.1
327.16620	2.4
355.08926	12.7
356.08899	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	355.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.14605	2.6
64.93481	2.2
68.99820	2.4
71.01380	18.9
71.50191	3.4
72.99297	3.0
73.02932	6.2
75.52925	2.5
78.64631	2.1
85.02952	8.9
87.00854	2.1
96.96030	2.6
99.00875	3.1
101.02430	9.8
106.06618	15.3
108.08138	2.9
109.32403	2.2
109.60663	2.2
113.02404	5.4
115.00396	2.8
118.98104	2.8
119.05005	3.0
123.04527	7.3
145.75203	2.2
150.05585	7.3
161.04547	7.8
163.03983	3.4
186.78995	2.2
194.04544	9.3
198.82437	2.3
206.34772	2.1
227.07404	6.4
269.10275	10.4
327.08762	6.1
355.14005	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.19036	0.6
59.01377	10.8
63.48442	0.5
69.77030	0.7
71.01387	7.1
72.97554	1.0
72.99320	0.8
85.02946	1.1
87.00886	0.8
89.02431	4.1
101.02445	2.4
113.02454	2.2
115.00378	0.9
119.03513	1.2
119.05005	1.7
123.04520	1.2
132.02162	14.6
134.03719	8.7
140.98489	0.6
147.04495	0.5
149.06097	1.9
160.01651	70.9
161.01944	4.2
163.04041	0.6
175.03989	100.0
176.04376	6.3
178.02663	0.7
182.88426	0.6
191.07181	1.9
193.05031	17.8
202.02701	1.1
202.55634	0.7
202.73561	0.6
207.06580	0.9
217.05048	6.3
235.06126	3.1
246.53738	0.6
255.90379	0.6
295.08112	1.2
327.08627	1.1
355.10306	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	355.1031
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01369	9.8
59.24855	1.5
61.98822	2.0
63.93773	1.3
71.01376	6.0
71.50437	1.5
71.50842	1.7
72.99303	3.0
73.02930	4.8
73.04052	1.8
75.00866	4.2
83.01369	3.0
85.02939	4.9
87.00876	4.2
89.02423	1.7
93.03471	2.6
99.00816	2.0
101.02441	4.3
113.02441	3.4
114.05613	13.0
115.00384	8.0
123.00508	1.5
127.07639	2.1
133.02895	1.9
134.03755	23.6
137.02414	2.6
140.07188	1.6
148.05313	2.5
149.06088	10.9
161.04570	2.1
166.57402	1.4
174.01682	63.3
174.03104	2.7
175.02316	5.8
175.03983	4.3
177.05551	2.1
178.02727	12.3
179.03230	1.4
179.07251	2.6
180.10321	2.4
192.04291	4.1
193.03365	3.1
193.05046	37.9
194.05574	1.8
209.08138	1.8
237.07693	4.3
265.07080	8.3
295.08142	11.5
339.40994	1.4
355.10300	100.0
356.10645	9.0
356.18137	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	355.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32200	0.3
58.02974	4.1
61.95587	0.5
69.57012	2.6
92.05049	3.7
93.03465	0.6
102.71239	0.3
107.05047	0.6
116.05055	2.7
118.06629	14.0
119.06948	0.8
120.04512	0.3
128.05061	19.7
129.05414	1.5
131.03766	14.8
132.04079	0.5
132.17506	0.4
133.06657	0.4
134.06113	0.6
144.04547	100.0
145.04886	4.7
146.06114	48.5
147.06467	2.9
158.06094	1.7
160.04056	0.3
163.08757	0.4
167.73001	0.3
172.04019	7.5
173.04369	0.4
187.08737	0.5
190.05087	91.0
191.05428	6.8
201.27992	0.4
205.09810	0.9
216.92625	0.4
243.05774	0.3
249.08781	13.1
250.09071	1.3
252.10326	0.5
296.09265	8.6
297.09531	1.0
355.12766	0.8
357.25107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
57.09119	0.9
59.01374	1.4
69.66639	0.9
70.73357	1.9
70.73678	1.4
82.72614	1.1
85.02960	2.3
98.95599	1.4
101.06076	2.3
109.02930	2.4
122.03728	8.5
126.00021	0.9
127.07664	1.4
130.60106	0.9
135.04523	28.5
136.01669	1.4
136.04878	1.6
147.08139	2.3
149.06018	1.7
149.09682	7.8
151.07664	3.4
154.02724	2.4
161.09744	8.3
163.07626	3.5
163.11290	54.9
164.08423	16.2
164.11604	2.3
165.09212	8.6
177.09200	60.5
178.09955	22.4
179.10773	81.3
180.11113	5.2
183.10274	2.9
187.11311	1.8
191.10783	13.8
193.08710	7.7
265.12503	1.0
279.14163	1.5
280.14697	3.7
298.15741	53.6
299.16086	7.0
307.17087	1.2
309.22186	1.4
311.25897	1.3
314.21603	1.0
332.06732	0.9
337.21729	42.7
338.21936	7.0
340.20404	78.1
340.70145	1.0
341.20746	12.0
355.22778	100.0
356.23096	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	355.2851
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
55.14020	0.5
59.01355	0.7
61.98832	0.6
63.27244	0.5
69.50084	0.5
98.19896	1.9
111.13470	0.5
140.47307	0.5
141.72704	0.6
147.80232	0.7
229.77689	0.8
291.26840	1.1
293.28476	63.8
294.28796	7.0
311.29514	1.5
337.27438	17.6
338.27579	2.3
346.91644	0.5
355.28485	100.0
356.28900	13.1
359.37018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3215
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
59.54416	0.2
60.70279	0.2
67.68953	0.2
70.97915	0.5
70.98249	0.3
91.28441	0.2
107.87276	0.2
176.31480	0.2
250.87238	0.3
307.29968	0.3
309.31610	3.9
310.31961	0.9
337.31122	0.8
353.30533	0.5
355.32132	100.0
356.32477	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	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.15871	0.5
56.51475	0.4
59.01371	1.8
71.01378	0.8
71.04846	0.9
85.02979	0.7
95.01353	0.5
101.02458	0.7
104.05070	0.7
106.06621	100.0
107.00523	0.5
107.06970	4.0
113.02426	1.7
118.06628	3.2
120.08212	0.7
141.92235	0.6
146.06119	1.1
150.05595	81.2
151.05959	3.7
162.05595	0.6
164.07150	13.3
165.07549	0.6
182.19467	0.5
192.06656	10.7
193.07074	0.7
194.04561	15.6
195.04913	1.1
236.05588	1.6
246.76826	0.5
285.90936	0.5
296.07718	2.2
337.32220	0.5
356.09741	6.4
357.09933	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66069	5.2
55.02285	4.9
55.79805	5.0
61.98832	100.0
62.82345	5.0
68.08106	4.8
69.43904	29.6
69.44313	9.3
121.02950	7.0
132.75760	5.1
133.38774	4.9
164.62796	5.4
259.46384	5.2
312.51804	5.4
356.18738	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	357.0977
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
58.37009	0.6
59.01361	2.4
60.88455	0.7
63.29326	0.6
65.00320	1.2
67.56931	0.6
69.43715	4.6
70.59040	0.6
71.01382	1.0
85.02947	1.2
89.02422	0.7
91.01889	4.4
93.03450	6.4
95.01401	0.7
96.99304	6.6
98.19868	0.8
101.02449	0.9
106.24380	0.6
108.02161	2.5
108.08184	2.5
109.02920	1.4
113.02493	0.9
117.03439	2.1
119.05024	13.9
120.38892	0.6
121.02930	0.9
123.04526	9.4
130.04198	1.0
131.05040	3.2
133.02957	3.9
134.03729	17.2
135.04433	1.2
136.07626	2.0
137.02431	0.8
143.05028	12.9
144.05411	1.1
145.02966	3.1
146.03720	7.5
147.04515	1.6
148.01595	1.0
148.05249	0.9
149.06000	1.3
152.07213	3.4
158.03709	4.1
159.04501	9.8
160.01640	1.1
160.05028	0.6
161.04846	0.7
161.06047	3.7
163.03999	7.4
164.04266	0.8
171.04515	1.0
172.45789	0.7
173.06052	3.0
174.03087	1.2
178.02722	1.9
187.03992	1.8
193.05031	6.1
196.06133	1.0
204.06799	0.6
208.58672	0.6
226.06387	3.6
235.07642	1.0
241.08742	3.4
250.06274	1.9
251.07118	23.7
252.07825	8.9
253.08672	5.0
254.09459	3.8
255.06276	0.8
259.14590	0.8
265.08618	1.6
267.10138	1.4
279.06628	6.9
280.07376	15.9
281.07672	1.0
295.09760	13.2
296.10214	0.8
313.10757	2.2
323.16202	0.9
324.06363	2.5
339.08630	7.7
357.09763	100.0
358.10101	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	357.0979
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01375	2.1
71.01383	1.1
91.01915	5.2
93.03455	7.5
93.86450	0.8
96.99322	8.3
98.19786	2.1
101.02467	0.8
108.02166	1.8
108.08189	2.9
111.00932	0.8
117.03469	2.1
119.05030	17.0
123.04535	12.2
124.01608	1.0
130.04248	1.5
131.05031	2.8
131.18597	0.8
133.02946	2.9
134.03729	15.3
135.04517	1.1
136.07669	1.2
143.05020	14.7
145.02959	3.2
146.03775	7.2
147.04576	1.7
148.05305	1.4
149.06058	2.1
152.07158	2.7
152.68091	0.8
158.03731	3.6
159.04503	10.5
161.04819	0.8
161.06071	4.1
163.04002	9.5
166.08780	0.8
173.06078	3.5
175.04019	0.9
178.02745	2.0
193.05028	4.6
196.06126	1.6
200.16335	0.8
226.06335	3.1
235.07622	1.7
241.08682	3.7
250.06337	2.4
251.07132	25.0
252.07814	9.9
253.08688	6.9
254.09390	3.7
259.14359	0.9
265.08734	2.1
269.11884	1.0
279.06723	6.9
280.07401	19.3
281.07663	1.7
295.09744	15.5
296.10193	2.0
313.10974	2.4
324.06390	3.2
339.08731	5.4
357.09778	100.0
358.09982	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	357.1195
Annotation	Brasoside
Peak:m/z	Relative Intensity
53.17747	0.8
53.76339	0.9
54.14751	0.9
55.01851	0.9
59.01383	44.7
61.98832	11.5
62.20940	0.9
70.04346	1.7
70.04759	3.6
71.01390	15.7
72.97547	1.3
72.99310	1.0
73.02938	2.2
81.22879	0.9
83.01368	1.2
83.43659	0.9
85.02959	3.8
87.00890	1.3
87.05619	1.0
89.02441	7.0
93.03470	5.0
95.01381	1.1
96.00903	1.0
98.20649	1.2
99.00901	1.3
101.02445	7.3
106.63779	1.0
108.02177	7.3
109.02966	3.2
113.02449	4.9
119.03522	2.6
121.16411	1.0
123.04533	2.7
125.02461	1.0
133.06612	3.0
134.06143	1.9
135.04535	100.0
136.04756	4.7
137.06088	1.3
143.03551	1.1
149.02438	2.0
149.06059	2.1
150.06870	63.0
151.03978	1.4
151.07353	3.4
152.01141	3.7
153.01923	1.6
159.03059	1.4
161.04608	5.4
161.05809	0.9
165.05539	2.4
167.03424	1.5
177.01944	2.9
177.05504	5.5
178.05113	5.2
178.06427	1.0
179.42828	1.0
193.08766	2.6
195.02957	2.1
195.06609	3.6
203.54358	0.9
205.40933	0.9
313.12518	1.1
322.90842	0.9
357.12106	19.7
357.21555	1.1
358.11914	3.2
368.60046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03568	14.1
69.22452	31.1
69.22864	100.0
127.55394	16.0
149.47926	13.7
160.05391	16.7
177.05554	61.2
191.07184	16.0
203.07103	53.7
221.08092	25.6
281.99597	17.6
315.48859	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	357.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18272	1.2
59.01379	1.6
66.59981	1.1
69.32977	9.6
82.05213	1.0
100.40366	1.3
108.02168	23.4
121.02968	2.6
121.06629	1.7
123.04527	33.2
130.04228	1.1
131.05020	2.6
134.03758	1.8
135.04491	1.8
143.05031	1.4
145.02931	3.1
146.03725	3.2
147.04521	3.6
148.05292	9.5
149.02429	2.0
149.06100	9.6
150.03214	10.2
158.03729	4.5
159.04518	15.3
160.05296	26.9
161.02440	2.0
161.06053	5.7
162.03241	7.6
162.06808	1.3
163.04019	2.3
164.04701	1.3
165.05505	3.8
171.04482	1.2
173.06021	2.4
174.03224	10.8
174.06807	1.9
175.07643	7.6
176.04823	6.6
177.05557	91.5
178.06335	28.1
179.06702	1.7
180.04314	2.4
187.04008	13.2
188.04770	20.6
189.05234	1.8
191.07129	27.4
192.04251	3.9
192.07857	11.1
193.08586	2.4
194.05974	1.1
195.10257	1.6
203.07137	100.0
204.07449	7.8
206.05844	20.3
207.06233	2.0
210.05348	9.9
219.06500	2.3
220.07433	5.3
221.08174	71.2
222.08505	4.5
224.06862	16.4
227.19884	1.2
251.07169	1.9
263.07040	4.4
279.06561	2.2
280.07422	3.1
281.08142	5.5
291.06567	2.7
294.09033	1.6
295.09763	1.8
296.10434	3.4
297.07724	1.3
298.08292	2.0
299.12854	1.4
306.09070	2.1
309.07764	5.8
311.12906	3.4
313.10840	4.9
321.11124	1.4
324.10049	3.5
327.12421	8.4
339.12341	36.1
340.12527	5.6
357.09351	2.1
357.13431	28.3
358.13821	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61459	1.9
53.01877	2.0
57.87882	2.2
59.01378	100.0
61.98818	9.2
81.03390	2.5
83.04987	1.9
121.02928	13.3
135.04460	6.3
151.03935	1.9
177.05557	3.6
203.07227	2.2
221.08153	2.2
223.13364	3.1
239.07027	3.5
245.20183	2.2
307.99728	2.4
357.06152	2.3
357.19080	4.8
357.22729	2.5
357.26447	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	358.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51612	1.0
52.31735	1.2
59.01373	3.5
61.98833	100.0
63.85687	1.1
70.36381	3.1
75.00861	1.5
90.71005	1.1
114.48377	1.3
130.08754	8.3
153.01936	1.9
164.98747	1.1
359.15207	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96605	1.0
55.01867	1.7
55.65049	1.1
57.03445	2.3
58.00581	3.3
59.01379	76.4
59.51299	1.3
60.01701	1.6
61.98827	7.6
69.67197	5.0
69.67599	2.6
71.01380	56.6
72.01704	1.7
72.99297	4.4
73.02943	5.0
75.00867	1.5
83.01391	4.5
84.88468	1.1
85.02946	14.4
87.00878	4.0
89.02441	44.2
91.05542	1.4
93.03446	2.2
95.01402	3.7
99.00859	2.0
99.04484	1.7
101.02437	34.5
107.05057	1.5
108.04527	1.6
109.02908	1.4
113.02440	20.1
115.04025	1.8
119.03496	18.7
122.03734	4.1
123.04539	2.3
124.79137	1.1
125.02409	2.3
131.03477	1.4
133.01392	2.1
134.05089	2.2
134.06111	39.4
135.04497	4.6
135.06619	1.1
136.03889	1.4
137.06090	2.1
142.63593	1.1
143.03519	1.2
146.03648	1.2
151.00365	4.0
153.01935	13.5
153.05608	1.7
160.04019	1.5
161.04547	4.1
161.05974	1.1
165.93344	1.3
177.01863	2.4
178.05081	100.0
179.05458	6.8
179.07114	3.2
179.13019	1.3
182.05826	9.1
195.06470	1.4
196.06419	1.1
197.04536	3.9
197.08174	26.0
234.81036	1.2
239.05640	2.3
242.18642	1.3
259.61850	1.4
270.69305	1.1
286.10806	2.6
314.12668	1.4
322.67651	1.4
327.10785	6.6
358.11832	20.8
358.19675	2.0
359.09674	3.7
359.13339	9.7
359.17209	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	90.2
60.01721	1.0
61.98837	1.4
69.94731	0.8
69.95122	1.1
72.99311	0.6
80.52646	0.4
85.35505	0.4
88.79755	0.4
90.97136	1.1
90.97670	0.4
98.19971	0.7
112.22514	0.4
112.26649	0.4
132.98209	1.6
149.38109	0.4
157.03534	3.2
159.01445	0.8
174.99237	22.1
201.02536	27.2
202.02681	3.3
203.13377	0.4
211.38762	0.4
217.00273	100.0
218.00629	2.9
272.40588	0.4
317.00485	0.5
318.00436	0.5
342.75043	0.4
359.01501	3.4
359.23984	0.4
360.01395	0.6
368.79929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.79323	1.1
59.01110	1.6
59.01381	19.6
61.98830	31.1
66.79150	0.8
69.60635	6.0
71.01372	5.5
71.05012	1.6
73.02938	1.7
73.04067	3.7
74.02464	2.8
75.00868	3.0
83.01395	2.5
85.02937	1.2
86.05363	0.9
87.00874	1.3
87.05631	2.9
88.04041	4.0
88.27763	0.8
89.02453	2.2
93.03406	1.3
93.89389	0.8
95.01395	2.9
99.04509	3.9
101.02420	2.6
102.05590	3.2
103.05137	1.0
108.02269	1.0
109.02937	2.0
113.02437	2.1
115.04007	3.4
115.08733	1.4
117.05599	1.2
119.05012	1.4
121.02941	1.0
123.00882	46.7
124.01239	1.2
124.04054	1.6
125.02477	1.1
125.06071	1.7
128.03532	4.1
129.03854	1.2
129.10403	0.9
130.08749	7.0
133.01418	1.5
135.04533	2.1
137.02386	2.0
137.06100	8.0
138.03233	51.2
138.51114	0.8
139.03531	1.6
140.08273	1.1
143.11867	3.4
149.99593	1.0
151.00356	3.4
153.01938	23.4
153.05573	22.7
161.04562	1.9
161.08199	22.3
162.08534	1.0
166.99844	11.8
175.02513	1.1
177.01949	2.0
177.99059	3.0
182.02209	41.7
183.02495	1.8
195.02960	1.7
197.04549	100.0
198.04848	7.1
201.12436	1.4
228.17142	1.4
229.15265	0.9
230.15887	2.2
250.05484	1.0
298.14035	2.3
315.16699	9.4
315.20807	1.7
316.14853	1.2
329.18350	2.1
359.06082	5.9
359.09882	2.9
359.13947	4.5
359.19870	9.2
360.17578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01380	13.2
59.28086	0.9
65.37547	0.8
71.01377	11.0
73.02512	0.8
73.02940	1.3
73.86176	0.7
83.01369	2.7
85.02937	2.8
89.02435	5.9
99.00891	1.5
101.02422	7.5
107.05038	1.1
109.02979	1.1
113.02431	3.6
119.03493	2.5
123.04507	1.1
125.02458	1.3
132.03036	1.5
133.01512	1.4
135.04576	1.2
138.03198	7.3
138.05632	1.1
142.34756	1.0
149.02477	0.7
151.00351	2.5
151.03996	10.5
152.04790	24.5
153.01929	19.4
153.05566	26.8
154.05885	1.1
161.04543	3.3
161.05785	0.8
165.05505	1.6
166.02670	1.4
177.01889	3.3
178.02707	39.3
179.03268	3.6
179.10629	1.3
195.03038	1.4
196.03749	99.6
197.04245	7.1
341.08755	4.2
359.09808	100.0
360.10156	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	359.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54182	1.3
55.80257	1.6
59.01374	13.2
61.98822	7.8
71.01389	7.2
71.05015	3.3
72.99306	1.7
75.00868	1.8
83.01430	1.5
87.04495	3.3
89.02441	2.2
99.04531	13.5
99.97749	1.2
101.02428	2.8
109.02914	2.9
109.88264	1.4
110.68352	1.5
115.04031	11.5
117.05572	4.8
119.03529	1.7
123.04514	2.0
124.04041	3.3
125.02419	2.0
128.03593	2.0
130.08736	6.5
135.04555	2.5
137.06006	1.6
138.05591	1.7
140.01147	2.1
141.06673	2.8
143.11832	4.0
151.00349	3.5
153.01947	21.1
161.08194	100.0
162.08527	4.1
167.04659	1.9
177.01944	3.0
179.03464	1.8
195.02861	2.2
197.08211	2.5
254.14972	2.4
256.63092	1.7
298.14090	8.8
316.15030	4.1
359.05933	1.6
359.09750	3.5
359.13553	1.8
360.17770	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98837	20.9
70.01797	15.8
70.02211	26.0
71.01390	40.7
72.99303	10.1
73.02949	15.6
74.02470	11.1
83.73928	9.0
85.02966	10.2
89.02438	52.5
90.05903	7.6
96.13985	8.0
96.14641	7.8
98.19974	10.8
101.02480	21.4
113.02454	25.5
119.03486	17.8
151.00325	10.3
153.01898	51.3
171.19696	9.9
182.07108	7.3
286.13895	11.2
299.11423	9.9
303.95917	8.6
359.12994	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	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95288	1.1
59.01377	100.0
61.98829	12.4
66.47275	1.1
71.01379	7.3
71.26260	2.2
73.02957	1.7
73.04067	2.2
75.00879	2.1
79.63390	1.1
85.02949	3.7
87.00922	1.3
88.04034	4.3
89.02453	2.3
93.03473	1.4
96.45629	1.2
99.00863	2.4
101.02444	5.9
106.04250	1.2
108.73988	1.1
113.02450	3.2
119.04961	1.4
123.00871	10.2
125.02507	1.7
130.08755	2.2
133.01447	1.1
135.04416	1.4
137.06082	61.6
138.03218	12.5
138.06453	2.3
143.11879	2.6
153.01968	6.2
153.05566	5.3
161.04559	7.8
161.08214	7.4
166.99861	3.1
171.72385	1.1
174.69009	1.2
182.02226	6.9
197.04549	21.3
198.05052	1.4
301.35910	1.2
315.16663	5.8
359.13287	2.8
359.19791	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	359.1347
Annotation	Stansioside
Peak:m/z	Relative Intensity
50.39941	1.5
54.11838	1.5
55.01887	3.5
57.03437	3.0
58.00583	3.1
59.01379	100.0
59.46920	1.5
60.01710	2.0
61.57187	1.6
61.98818	3.0
65.00197	1.4
69.38473	11.7
71.01379	85.6
72.99289	4.8
73.02942	10.4
78.75156	1.5
83.01388	11.0
83.05016	1.4
85.02945	24.4
87.00860	8.7
89.02441	43.5
93.03437	1.8
95.01387	7.4
97.02982	2.5
99.00877	6.0
101.01807	2.9
101.02443	41.0
101.74790	1.6
106.30856	1.5
108.02168	1.7
109.02940	2.3
109.06552	1.7
113.02448	26.5
115.00365	2.9
119.03512	14.8
121.02884	1.9
121.06564	1.7
122.03752	13.0
123.04501	6.0
125.02499	2.3
129.01907	1.9
131.03532	1.7
133.01393	2.9
135.04457	2.5
136.01663	1.8
137.06064	3.0
139.07640	3.2
143.03423	1.8
145.06560	2.9
145.92172	1.7
149.06146	2.1
151.00343	2.3
153.01950	16.7
161.02380	2.0
161.04607	8.1
163.03963	3.9
163.07631	1.8
164.04738	3.5
165.05528	7.0
177.01875	2.1
179.05777	1.9
179.07162	9.7
182.05841	27.3
183.06506	2.7
197.08185	84.1
198.08511	4.5
327.10831	55.6
328.11148	6.6
359.09372	4.0
359.13416	40.5
359.20001	2.4
360.13852	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	359.1532
Annotation	Lepidine C
Peak:m/z	Relative Intensity
59.01367	0.9
59.12312	0.3
69.63726	1.9
87.41006	0.3
126.98780	0.3
143.05341	0.4
147.64235	0.4
161.06413	0.6
192.97981	0.3
217.07181	1.9
249.22807	0.3
261.04504	0.8
275.06052	1.0
277.07544	3.7
277.21735	1.1
278.07877	0.4
343.12149	0.7
344.07025	0.5
357.13882	3.2
358.13925	0.5
359.15335	100.0
360.15494	18.6
377.16278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.6
69.84906	2.4
69.85323	1.4
98.20607	1.1
225.31918	0.6
233.22438	0.7
277.21704	100.0
278.22086	14.6
340.30389	0.7
344.06897	1.2
359.21991	20.3
360.22321	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	360.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73578	0.3
59.01369	0.4
61.98829	100.0
71.03135	0.6
78.91496	0.4
91.15871	0.3
95.85239	0.4
115.00422	0.5
118.71605	0.4
130.20992	0.4
132.59099	0.3
158.78929	0.4
175.02478	2.5
211.98430	0.4
239.55234	0.3
342.11267	0.4
360.12769	0.4
367.76907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98827	0.7
71.01381	1.0
109.61793	0.4
112.36850	0.6
121.02943	0.4
140.76569	0.4
161.05606	0.4
191.07004	0.5
197.06050	5.4
198.06493	0.6
208.69615	0.5
224.04744	1.8
225.05560	20.0
226.05957	1.9
240.07921	6.0
241.08296	0.8
258.03534	49.6
259.03934	4.8
273.05899	100.0
274.03464	0.8
274.06256	8.9
329.03046	0.8
330.14200	1.5
360.15305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	18.5
61.98819	10.1
67.87657	4.9
69.13849	4.3
69.27104	47.4
71.01363	9.1
73.66351	4.5
89.02416	8.1
89.57523	5.1
101.02449	7.2
105.48891	4.2
119.05025	76.3
120.92035	5.3
157.02983	4.9
159.80420	5.1
161.04608	5.0
163.02757	7.7
163.03996	100.0
209.49614	6.3
266.71112	4.8
313.01746	4.9
361.15073	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	361.1657
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.01887	1.0
59.01378	7.1
66.20378	0.6
67.94910	0.5
69.16412	1.2
69.16809	4.9
71.01372	6.1
72.99309	0.6
73.02922	1.1
80.86073	0.6
83.01383	0.8
83.25343	0.6
85.02950	2.6
86.66180	0.6
89.02457	2.0
91.82752	0.6
93.03457	3.9
100.65095	0.6
101.02461	4.0
108.02196	0.6
109.02949	9.3
113.02455	1.4
119.03503	0.7
119.05013	1.0
121.02950	35.9
122.03745	25.0
123.04592	3.0
124.01643	2.1
129.03471	2.6
134.03758	1.7
135.04536	2.7
136.05266	2.5
137.02402	3.7
137.06064	0.9
146.03763	1.5
147.04515	13.3
148.05301	1.3
149.06053	3.5
154.02733	3.3
160.05301	0.7
161.06125	5.4
162.06807	1.3
164.04793	0.6
165.05557	42.3
166.05902	2.2
173.05998	0.8
175.07524	0.9
178.06354	1.4
179.07147	14.5
180.07455	1.4
185.58269	0.6
191.07054	0.9
199.13408	2.7
209.08145	0.6
209.56384	0.6
223.09718	2.0
265.74677	0.6
298.12082	1.7
301.10806	1.3
313.14349	0.9
315.12381	4.4
316.12994	0.9
331.15308	0.8
343.15356	0.6
346.14148	14.9
347.14511	1.6
356.06467	0.7
361.16214	100.0
362.16617	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00675	0.4
55.01867	1.9
57.03434	1.8
58.00577	1.4
59.01379	21.5
61.98805	0.8
65.86533	0.4
68.99818	0.4
71.01379	16.4
72.99287	1.7
73.02948	4.4
78.53329	0.4
83.01381	3.8
85.02946	7.8
86.00098	0.6
87.00873	1.1
89.02439	6.4
95.01392	1.9
99.00873	1.0
101.02435	11.7
104.89816	0.5
110.37221	0.5
111.00867	0.7
113.02457	5.6
119.03468	2.0
142.64339	0.4
149.79913	0.4
157.12279	0.5
174.00833	0.4
181.12331	4.0
193.88547	0.4
199.13434	5.1
204.00398	0.4
295.55219	0.6
311.12943	0.8
329.13910	1.4
330.83615	0.4
343.17606	1.5
346.08408	1.4
361.18658	100.0
362.19028	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53350	0.3
59.01378	18.7
61.81911	0.3
61.98841	0.7
85.16360	0.3
91.19913	0.3
98.20776	0.7
122.15472	0.4
144.70605	0.4
279.23267	100.0
280.20676	0.7
280.23636	10.4
306.76376	0.4
323.99982	0.3
361.15240	12.1
361.23532	17.5
362.15247	1.2
362.23874	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71666	17.6
54.97950	18.2
59.01373	100.0
64.98867	17.7
71.55231	18.0
79.20271	20.1
79.27293	18.3
88.64545	17.2
195.60036	18.3
227.11394	18.6
263.20023	40.5
266.19504	19.0
305.85742	16.3
346.94803	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59941	0.2
59.01110	0.5
59.01377	5.9
60.01723	0.8
61.01806	0.2
61.98828	100.0
70.97439	0.6
88.73640	0.2
89.91995	0.3
95.88603	0.2
105.44691	0.3
110.51196	0.2
174.99249	0.5
177.96683	0.6
178.98468	0.6
201.02545	0.8
203.02342	0.3
203.99947	4.1
204.01843	0.3
204.02676	0.3
205.00195	0.3
217.00262	1.1
218.00606	1.8
219.00366	0.3
219.97737	50.0
220.97871	0.8
220.99814	1.7
223.00851	0.3
234.52762	0.2
319.97894	0.5
331.45901	0.3
361.98813	1.4
362.99588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1236
Annotation	Rhinacanthin M
Peak:m/z	Relative Intensity
59.01373	1.3
61.98832	0.4
71.50587	0.4
89.57072	0.2
91.01882	0.3
93.03453	0.3
94.03459	0.2
96.96021	0.6
100.35579	0.2
108.02170	2.1
109.02949	100.0
110.03283	3.6
121.02941	0.4
137.02466	0.4
178.79887	0.3
189.38994	0.3
211.13411	0.3
226.06351	1.1
237.05525	0.8
239.07138	0.8
241.08705	3.7
242.08949	0.4
253.08673	3.4
323.27884	0.3
348.09805	0.4
363.12341	10.1
363.21771	0.4
363.25455	0.5
364.12704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1236
Annotation	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Peak:m/z	Relative Intensity
59.01361	0.7
67.10447	0.4
69.28140	0.5
69.28546	2.4
72.14311	0.3
108.02170	2.7
108.84210	0.3
109.02950	12.4
110.03293	0.7
181.06537	0.7
183.04567	0.5
183.08069	0.4
185.06064	1.1
187.03923	0.9
188.04770	0.4
194.86975	0.4
195.04478	1.6
196.05148	0.9
197.06062	13.2
198.06528	1.5
211.07664	1.4
218.86406	0.4
221.06050	0.5
224.04767	5.3
225.05562	5.0
226.06306	4.8
227.07120	2.7
237.05551	18.2
238.06059	3.0
239.07112	79.7
240.07428	5.9
273.31631	0.4
318.08899	0.6
319.09662	0.5
332.06717	0.4
333.07785	0.5
347.05231	0.7
347.09213	9.5
348.09970	29.4
349.10208	3.1
363.12341	100.0
364.08020	0.7
364.12653	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	363.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.1
61.78725	1.6
69.72386	1.7
74.02473	56.0
80.19457	1.6
80.71600	1.6
90.00140	1.6
93.03455	16.0
97.04099	3.4
98.19756	3.0
99.05645	4.5
107.05138	1.7
109.04070	5.5
110.09763	18.2
111.05637	22.7
122.09773	5.8
138.04340	2.9
143.04622	11.3
150.09250	3.9
155.05003	5.7
164.09529	4.0
167.11874	2.5
179.11897	69.8
180.12236	4.8
188.04778	2.9
193.09842	2.0
197.13074	1.9
199.03957	10.3
211.10851	21.7
212.04735	2.0
213.05530	3.2
223.10875	90.7
224.11154	6.7
227.03412	5.5
239.03595	4.5
240.04227	3.1
241.05016	8.1
242.05797	12.8
249.08778	3.3
253.05011	1.9
254.05833	6.9
255.06349	1.8
257.09662	100.0
258.09888	5.5
269.08231	9.8
313.14487	4.2
324.89975	1.7
331.15527	3.6
335.12244	2.1
348.09958	2.2
363.12363	27.5
364.12625	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	363.1597
Annotation	Bisphenol A dimethacrylate
Peak:m/z	Relative Intensity
59.01369	2.7
70.09949	1.2
70.10344	1.5
71.01376	0.6
93.03454	10.3
94.72786	0.5
96.96013	0.5
107.05045	0.9
108.02144	0.7
119.04966	0.5
121.02927	0.8
125.02460	0.5
134.03717	0.8
135.04497	1.5
136.37245	0.5
137.02405	1.1
143.04955	0.6
157.06537	1.1
183.08122	1.8
185.06042	2.2
197.06021	0.7
199.07671	5.0
209.05974	0.6
212.04630	0.8
213.05547	1.9
225.05553	5.7
226.06320	1.4
227.07117	26.6
228.07506	2.0
239.07082	1.9
241.08672	6.1
242.09291	1.5
243.10225	5.1
253.08701	0.7
254.09494	0.9
255.10257	1.7
257.11804	1.7
289.12137	1.0
289.18100	0.8
319.09695	1.6
333.11246	11.8
334.11572	2.0
347.13025	2.5
348.13589	6.8
349.14081	0.5
363.16000	100.0
364.12048	1.2
364.16321	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	363.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	0.8
59.01369	5.0
61.98821	1.1
68.49044	0.8
68.57543	0.8
71.50655	1.0
71.51334	1.0
83.77294	1.0
89.44411	1.0
93.03458	42.7
94.03798	1.8
96.96049	1.3
134.03741	1.1
143.04994	1.0
157.06645	1.3
163.94342	0.9
183.08081	2.2
185.05991	1.6
190.43442	0.9
199.07657	6.5
209.06047	1.2
212.04825	0.9
213.05603	1.4
224.78717	0.9
225.05605	6.3
227.07114	32.0
228.07469	2.5
239.07068	1.6
241.08678	2.6
253.08521	0.9
255.10255	1.9
319.09964	0.9
333.11304	9.3
347.12878	2.4
348.13693	5.8
363.16022	100.0
363.25479	2.6
364.16330	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
57.03438	5.1
57.41528	1.2
58.00588	2.8
59.01378	96.2
61.98821	5.4
66.18787	1.3
69.20683	4.6
69.21109	8.2
70.15990	1.4
71.01380	35.0
72.99313	5.1
73.02934	9.6
75.00858	2.2
82.02971	10.7
83.01375	7.3
84.02216	1.4
85.02939	15.9
87.00879	6.0
89.02450	12.4
94.02925	1.6
95.01401	3.0
99.00877	4.3
99.08176	2.9
101.02438	26.5
101.15252	1.4
107.28176	1.3
113.02451	11.9
119.03495	5.5
122.06140	2.2
127.07663	4.1
129.01933	3.7
129.05551	2.9
136.04047	7.8
138.05566	2.2
139.11272	1.8
142.99852	5.1
145.02916	4.4
147.02950	1.8
150.05495	1.5
153.05644	1.6
161.04544	4.1
164.03506	11.6
183.10190	8.8
189.07657	3.5
194.04570	6.1
196.06171	6.5
201.05574	1.8
258.54745	1.3
287.10373	27.1
288.10971	1.8
325.09274	1.7
331.09235	9.5
363.16571	100.0
364.16919	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33937	0.5
50.58907	0.6
54.14290	0.5
55.01881	2.9
57.03429	2.6
58.00613	1.5
59.01383	31.7
69.03444	0.6
70.65949	1.4
70.66315	1.3
71.01384	22.4
72.99301	2.3
73.02956	8.9
75.00867	0.9
75.56419	0.6
82.02990	9.5
83.01389	7.0
85.02458	1.1
85.02954	13.1
86.00086	2.0
87.00871	1.5
89.02462	5.1
95.01387	1.4
99.00881	2.9
101.02441	22.2
110.02477	0.7
111.00864	1.1
113.02455	7.4
119.03464	2.3
122.06133	1.2
127.11216	0.8
129.10347	1.1
130.08705	0.9
131.03391	0.6
136.04056	7.3
138.05630	0.9
152.03419	0.8
157.12302	0.6
159.02980	1.2
161.04529	2.9
164.03555	10.5
173.11823	0.7
182.04584	0.6
183.10196	1.1
194.04578	6.6
195.05241	0.8
196.06174	6.8
201.11342	1.5
214.89848	0.7
217.06264	0.7
220.54442	0.7
229.98639	0.7
231.07761	0.8
244.09618	1.6
245.09317	0.7
253.71201	0.7
257.12927	1.7
258.06686	0.8
259.10941	1.2
271.07309	0.8
287.10370	24.4
288.10672	2.0
313.08136	0.7
331.09357	11.1
332.09854	1.1
345.15436	0.7
363.16595	100.0
364.16782	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	1.0
71.01397	2.1
71.27135	1.4
71.27457	1.0
73.02965	1.1
84.86098	0.8
87.05293	0.8
89.02464	1.7
93.94504	0.8
101.02451	2.0
113.02457	1.5
139.11237	1.9
183.10262	2.1
238.57805	0.8
280.25793	1.0
363.20261	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	363.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81416	1.5
71.04797	1.8
71.05145	3.6
94.89558	1.8
99.07293	1.8
99.38371	1.7
108.02167	2.0
129.24846	1.7
146.03728	33.8
147.04482	2.2
159.04506	25.1
160.05263	5.4
161.06029	5.8
172.05313	10.4
173.06041	4.9
174.06940	2.1
184.05280	1.8
185.06073	2.5
187.02336	3.0
187.04001	50.5
187.07626	3.3
188.04788	37.0
189.05255	3.3
190.06358	3.4
195.22842	1.8
197.06172	2.1
198.06914	2.6
201.05595	2.1
225.12659	1.9
239.07077	4.6
241.12308	2.4
243.13860	3.7
267.13916	3.4
269.11926	16.4
269.15134	10.2
270.12311	2.1
283.13281	1.8
285.14923	8.5
287.10156	2.3
287.12900	12.9
295.13382	46.8
296.13690	7.0
313.14435	100.0
314.14679	16.7
316.13242	4.4
331.15485	73.8
332.15692	9.1
348.09927	2.6
363.12482	5.6
363.18060	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	363.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40715	0.9
59.01382	4.7
59.23575	1.0
61.98814	1.5
64.01808	1.1
65.99838	1.8
71.01411	1.1
93.03428	3.7
96.96007	1.1
109.06556	2.3
121.02896	1.0
122.03727	7.7
123.04493	2.1
133.06607	1.7
135.04515	3.5
136.04364	1.8
136.05305	27.8
137.06030	4.4
138.03195	2.6
148.05278	2.3
149.06049	3.1
149.09689	4.3
150.03215	4.0
159.04510	1.7
160.05263	3.0
161.06049	2.3
162.03267	2.2
162.06807	3.3
163.07629	1.7
164.04778	2.7
173.06081	2.8
173.67807	1.0
174.06807	1.8
175.07404	1.0
186.06761	1.4
187.04008	3.0
187.07643	2.1
188.04727	5.3
188.08417	3.0
189.05438	1.4
189.09137	1.4
201.05504	1.4
202.06340	2.7
211.13391	1.7
226.06158	1.7
228.13556	1.0
239.10710	1.0
250.99390	1.0
251.03465	3.5
255.06551	3.3
257.15421	1.2
259.16965	14.9
260.17371	1.4
267.13864	2.7
269.15372	3.4
285.14929	46.5
286.15259	3.9
287.16437	2.8
289.18088	6.7
295.13312	7.5
303.15985	41.6
303.19501	1.3
304.16351	3.9
313.14429	31.6
314.14798	3.1
331.15466	100.0
332.15842	13.4
363.12155	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	363.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67272	0.8
54.59835	0.9
59.01368	3.5
64.81393	1.0
71.50752	1.5
93.03469	1.0
109.02848	1.0
109.06559	1.3
121.02939	1.8
122.03728	8.0
123.04497	2.7
123.08144	1.3
133.06520	1.3
135.04495	3.3
136.05295	24.1
137.06052	3.2
138.03198	2.3
144.05795	1.5
147.04504	1.1
148.05333	1.4
149.06042	1.4
149.09674	4.2
150.03169	3.6
151.04065	1.0
159.04483	2.0
160.05240	2.7
161.06129	2.2
161.59915	1.1
162.03169	2.3
162.06821	4.2
163.07584	1.8
164.04800	2.3
171.08170	0.9
173.06018	3.0
174.06833	1.6
175.07587	2.2
182.58232	0.9
186.06773	2.1
187.03958	3.3
187.07555	1.8
188.04787	5.9
188.08432	2.3
199.07492	1.1
202.06288	2.0
257.15454	1.1
259.16977	15.1
267.13873	3.4
269.15369	3.8
285.14923	40.7
286.15198	4.3
287.16556	2.2
295.13474	5.8
303.15994	38.5
304.16232	5.0
313.14435	28.7
314.14685	2.6
331.15466	100.0
332.15753	12.4
363.12350	6.3
363.17450	1.2
363.25397	1.8
375.58371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.7
61.98827	100.0
71.01375	1.1
71.50368	0.8
71.50813	1.2
95.73252	0.9
123.53995	0.8
134.03754	1.0
135.04526	13.4
152.52986	0.8
157.56516	0.9
179.01901	1.2
179.03484	20.5
180.03847	1.5
266.69800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11532	0.4
59.01371	0.4
61.98831	100.0
71.45890	0.5
95.33175	0.6
119.72668	0.5
139.35461	0.4
142.02708	0.5
160.07455	0.5
265.53430	0.4
281.24210	0.5
289.86447	0.4
292.40057	0.5
315.69177	0.5
348.15671	0.5
364.20987	3.3
371.08813	0.6
383.23587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28580	0.4
56.52593	0.4
59.01377	3.7
61.98830	100.0
63.65125	0.4
63.99254	0.6
69.32686	3.2
77.15273	0.4
78.91847	0.5
92.92146	0.4
98.20638	0.8
135.95633	0.6
169.93951	0.5
180.94147	7.6
189.94809	0.4
203.02357	0.7
206.97478	4.3
219.97743	0.7
220.99551	1.5
222.95201	66.6
223.95337	0.9
223.97319	0.6
297.99252	0.4
322.95715	0.5
364.96375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0872
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01073	0.5
59.01375	8.2
60.02333	0.3
65.85426	0.3
71.01386	4.9
71.50483	0.3
72.99311	0.3
73.02947	1.3
83.01395	0.4
85.02948	1.5
87.35187	0.3
87.81493	0.3
89.02442	4.1
101.02448	1.9
113.02470	1.7
119.03479	1.1
120.72044	0.3
141.09212	0.7
143.03412	0.4
145.02950	0.8
147.04495	0.4
157.02916	0.5
158.03731	15.4
159.04504	6.6
159.31219	0.3
161.04543	0.7
163.03862	0.3
171.04501	2.0
173.02425	0.7
173.06046	0.5
175.04073	0.3
178.92044	0.3
179.05603	0.3
181.55698	0.3
183.04436	0.3
184.05280	0.3
185.05971	0.4
185.08228	0.3
192.16199	0.3
195.04639	0.3
200.55162	0.3
201.01956	1.0
201.05562	3.1
202.02702	100.0
203.03183	9.1
203.12773	0.8
204.03862	0.4
213.05580	3.0
214.05876	0.3
215.03473	0.4
227.03563	0.5
231.06589	1.4
243.06638	0.5
245.04507	1.1
269.45599	0.3
275.05655	1.7
276.05719	0.3
281.66052	0.3
365.08725	44.2
365.18033	1.8
366.09076	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.2
59.01382	17.0
65.09516	0.5
71.01383	9.3
71.46012	0.9
72.99321	0.7
73.02956	1.5
74.30659	0.6
83.01392	1.2
85.02954	2.8
87.00881	1.1
89.02445	7.2
95.01403	0.8
99.00918	0.7
101.02433	5.7
113.02457	3.0
113.09752	1.3
119.03519	2.6
119.82708	0.6
125.02442	1.4
141.09221	100.0
142.09552	5.6
148.72484	0.5
157.12375	1.1
159.10262	0.6
161.04582	1.7
179.05609	1.1
185.08188	74.0
186.08524	4.5
190.46298	0.6
203.12849	3.3
215.08241	2.2
321.15482	2.2
365.14371	32.3
365.18219	33.3
366.14603	3.3
366.18628	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	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01716	1.1
61.64425	1.0
62.30598	0.9
71.01386	1.6
71.10986	2.0
88.74034	0.8
158.33975	0.9
218.72772	0.9
252.03014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.2
69.41061	4.8
71.01389	2.0
75.00882	1.1
85.02972	0.9
94.10040	0.7
96.95990	0.7
98.20699	1.4
101.02438	1.1
113.02465	1.1
141.09230	2.7
159.04567	1.0
161.30537	0.7
185.08240	2.8
192.10510	0.7
194.44995	0.6
198.07843	0.6
203.03757	1.0
203.07135	1.4
237.06131	1.2
347.14963	0.9
365.18439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19846	0.4
55.01865	1.2
56.01378	0.4
57.03432	1.0
58.00576	1.2
59.01379	24.4
60.01695	0.5
69.76352	0.8
69.76746	1.0
71.01380	14.5
71.05019	0.8
72.01720	0.5
72.97516	0.4
72.99295	0.8
73.02950	2.6
83.01380	2.0
85.02946	5.1
86.00123	0.7
86.03242	0.4
87.00859	1.4
87.81074	0.4
89.02435	7.8
90.42827	0.4
92.05053	0.6
95.01359	0.9
99.00868	1.1
101.02436	12.0
106.97168	0.4
111.00937	0.4
113.02450	4.9
116.05070	0.5
116.67052	0.4
119.03497	3.3
125.02386	0.6
127.11247	2.1
139.11230	0.5
141.12727	0.3
143.03514	0.6
155.10741	0.8
157.12332	9.7
161.04541	1.1
169.07701	0.4
171.13890	0.6
179.05617	0.9
185.11836	2.3
187.13426	0.7
199.13286	0.6
203.12869	25.6
204.13190	1.6
215.08278	2.1
245.13899	0.8
254.38914	0.4
320.39746	0.4
347.17087	0.7
365.18115	100.0
366.18448	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.03443	5.1
58.00601	2.6
59.01381	100.0
59.47031	1.2
61.21108	1.3
69.62138	4.1
69.62549	4.4
71.01381	71.7
71.05014	1.4
72.99302	3.1
73.02950	24.6
81.56209	1.4
83.01411	7.8
85.02956	26.7
85.06563	3.1
86.00077	1.3
87.00871	19.6
87.04521	8.1
89.02446	48.3
95.01393	6.5
97.06591	5.7
99.00883	6.5
99.04550	2.3
101.02444	47.4
105.01949	5.1
111.00890	1.5
113.02460	28.7
115.07628	2.4
119.03510	16.5
123.08244	1.9
129.01952	1.9
129.05600	1.8
129.08310	1.9
129.09215	16.5
131.03502	2.4
132.91881	1.2
139.07587	1.8
140.56018	1.2
141.09203	2.4
143.03514	5.0
149.04587	2.0
159.02997	3.7
159.08932	2.8
159.10262	59.6
160.10587	3.3
161.04562	22.8
179.05579	7.0
198.00031	1.6
203.12885	9.8
221.06705	2.0
275.15109	2.5
323.17184	2.0
335.95355	1.7
365.13632	2.9
365.18158	53.2
366.18610	4.1
371.64502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59702	0.9
55.01880	3.3
56.75424	1.0
57.03456	7.7
58.00585	3.6
58.63426	1.2
59.01382	100.0
61.98823	1.5
71.01383	83.2
71.05007	1.9
71.50779	1.5
72.01710	2.0
72.99318	7.7
73.02949	27.5
75.00861	2.2
75.07654	1.0
83.01386	7.6
85.02461	1.7
85.02953	25.9
85.06586	3.5
87.00879	22.0
87.04524	8.5
89.02447	51.5
95.01408	6.0
97.02948	1.3
97.06599	8.5
99.00884	6.6
99.04570	1.7
99.08143	1.3
101.02442	51.6
105.01939	20.6
111.00845	2.8
113.02454	31.4
115.00379	1.5
115.07635	3.6
119.03504	21.0
123.08141	1.1
125.02454	1.4
125.06090	1.3
127.07661	3.0
129.01961	3.5
129.05569	3.1
129.09221	23.6
131.03508	2.9
139.07654	2.8
141.09245	1.3
143.03485	4.2
143.07176	1.6
145.05054	1.0
158.03720	1.6
159.03084	5.1
159.04283	1.3
159.10274	74.4
160.10599	3.9
161.04550	25.9
179.05621	6.2
180.85815	1.1
189.07693	4.3
203.12868	10.5
213.05554	1.2
275.14883	3.0
365.18152	50.7
366.18387	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
57.03443	4.7
58.00583	2.7
59.01377	100.0
60.01710	2.0
61.98827	3.4
67.62222	1.2
69.16196	2.2
69.16607	8.5
71.01379	60.9
71.05004	2.0
72.99305	4.1
73.02941	22.2
83.01388	6.2
85.02948	19.8
85.06591	2.4
86.00107	2.1
87.00868	14.7
87.04510	3.9
89.02444	34.9
95.01379	4.1
97.02935	1.2
97.06592	3.8
99.00866	5.3
101.02441	39.2
105.01934	5.9
111.00896	1.5
113.02449	24.5
113.03174	2.0
115.07655	2.8
119.03506	14.4
123.08175	6.1
127.07620	1.1
129.01872	1.5
129.09247	8.2
131.03494	4.6
139.07751	1.2
141.09190	1.4
143.03503	4.1
143.10796	1.8
145.05081	1.4
149.04559	1.2
159.02953	3.2
159.04459	2.1
159.10257	37.3
160.10684	2.0
161.04552	23.2
165.26183	1.3
167.10800	1.4
179.05598	5.7
193.03430	1.3
203.03424	2.3
203.09201	1.1
203.12895	7.0
221.06616	12.7
275.14944	2.2
365.10522	1.9
365.18216	31.5
366.18436	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	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01375	8.2
71.01391	1.5
71.50293	1.7
89.02453	0.9
96.96014	3.2
109.09138	0.8
111.08147	1.9
113.64600	0.7
115.39874	0.8
121.10222	7.6
125.09722	5.7
132.21265	0.8
147.08159	1.6
165.12770	1.0
185.11830	6.8
190.51706	0.8
197.11823	1.3
209.11896	1.4
211.13412	1.7
232.90793	0.8
236.11287	0.8
247.20689	1.8
273.18530	2.7
291.19641	100.0
292.19955	11.0
365.14343	1.3
365.19623	2.0
365.23380	2.2
365.27127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
68.25143	0.8
71.01360	0.9
71.50998	1.3
72.99299	7.1
75.00866	1.9
87.00335	1.9
87.00876	51.4
105.01932	100.0
106.02249	2.0
108.31539	0.9
115.26846	1.1
130.30864	0.9
199.13397	5.1
205.01044	1.0
231.96780	0.9
277.21707	70.6
278.22107	8.2
313.99576	0.9
335.51443	1.0
347.25970	1.0
365.23306	2.2
365.27011	20.3
366.27386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16622	0.5
59.01377	2.3
68.19248	0.4
70.65466	0.9
71.01358	0.7
83.02124	0.4
84.85947	0.4
87.00872	1.1
105.01938	4.8
233.22549	0.4
235.74445	0.4
237.56848	0.4
253.70355	0.4
277.21704	100.0
278.22021	11.6
292.89691	0.4
358.17511	0.4
365.26947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09183	1.0
59.01378	14.7
61.98827	3.5
70.70146	2.7
70.70492	1.4
71.05014	20.7
75.19452	1.0
78.04061	1.0
91.04018	1.2
96.96033	2.9
97.06564	5.5
97.45100	1.0
107.04989	1.1
126.27830	1.0
141.81354	1.1
146.96642	1.2
172.01016	1.0
181.12332	1.8
207.13875	2.6
217.15916	1.6
219.13875	2.3
235.16988	3.1
247.20573	2.3
273.77484	1.0
277.65829	1.1
281.01883	1.0
291.19644	100.0
292.19937	12.1
320.72379	1.1
355.82797	1.1
365.26962	1.7
366.23126	1.4
388.81412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.8
61.31722	10.1
61.98830	100.0
69.15163	53.9
69.15577	31.3
71.89030	8.1
82.84380	9.9
311.58188	10.0
348.14154	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.36948	0.6
57.60974	0.5
58.76431	0.6
59.01372	1.3
66.36778	0.6
69.73759	3.2
85.02338	0.6
85.06593	3.7
97.88211	0.5
163.17094	0.5
199.13391	1.0
203.34218	0.6
232.45973	0.6
279.19620	18.0
280.19870	1.8
347.25864	5.9
348.26028	1.0
363.25214	1.2
365.26920	100.0
366.27249	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	366.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49768	0.4
59.01370	2.0
61.98814	0.5
66.57370	0.4
71.50569	0.7
73.02911	0.4
74.39603	0.4
79.99902	0.4
83.23487	0.4
119.05015	0.7
126.90501	100.0
163.03987	0.6
211.07779	0.5
229.00816	0.4
239.07219	0.4
292.20004	0.4
348.25925	0.8
351.95975	11.2
352.96277	0.6
366.98309	36.6
367.24957	0.8
367.98572	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	367.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77070	0.7
57.03433	2.0
59.01376	13.4
67.84445	0.6
69.03441	0.7
71.01383	7.9
71.39413	0.7
71.39730	0.9
72.99303	1.9
73.02946	1.3
75.00868	40.3
83.01365	0.8
83.24070	0.6
85.02966	3.3
87.00866	7.0
89.02443	4.5
96.96037	0.7
99.00867	7.4
99.08158	3.0
101.02447	1.8
103.24026	0.6
111.00854	1.4
127.07650	5.7
129.01936	16.8
129.05566	8.5
159.02991	5.8
171.06584	3.2
173.08185	0.9
177.04027	2.8
188.34682	0.7
189.07698	8.8
195.05084	100.0
196.05458	3.6
343.54031	0.6
343.58829	0.6
367.12439	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	367.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05025	0.6
56.49738	0.6
57.03436	2.6
57.80828	0.7
59.01376	10.1
71.01374	6.1
72.99302	1.1
74.15282	0.6
75.00871	38.1
85.02950	3.7
85.74566	0.6
87.00882	5.9
89.02448	2.2
99.00881	7.3
99.08161	1.8
101.02430	1.0
111.00917	0.8
127.07623	2.8
129.01941	23.9
129.05583	5.3
130.02283	0.8
131.87166	0.9
137.89647	0.6
143.53328	0.7
159.02971	2.1
171.06642	1.6
177.04033	1.9
189.07718	6.2
195.05087	100.0
196.05412	4.6
207.32932	0.6
207.72307	0.7
308.07867	0.7
367.12656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45224	0.7
57.03448	0.6
58.02976	15.2
59.01376	7.1
61.98804	1.3
70.02943	0.9
71.01386	4.6
73.06695	0.7
74.02475	7.1
75.00861	0.9
77.43324	0.7
84.04066	0.8
84.04535	9.8
85.02909	1.6
86.02417	2.2
87.00792	0.9
89.02401	1.7
92.05052	6.1
98.02477	5.9
98.20679	1.4
99.08106	1.0
101.02401	1.4
107.05013	0.9
110.02428	3.0
113.02438	1.2
115.02795	0.7
116.03534	6.5
118.02936	1.3
118.06602	1.5
119.04964	1.2
127.07577	0.9
128.03542	22.8
129.01872	0.8
129.05472	0.7
130.06575	2.3
131.03764	33.1
131.04753	1.9
132.04570	20.4
140.04997	2.0
144.04546	11.0
146.04799	7.6
146.06065	5.0
151.03979	1.1
157.07716	13.6
158.06110	31.2
159.06374	2.5
160.04010	1.9
163.03909	0.8
166.86205	0.7
175.08755	28.4
176.09105	2.0
188.05891	1.9
189.06638	2.3
195.05045	4.6
199.08800	4.7
201.06633	3.7
205.12302	1.8
217.09813	12.6
219.07721	13.1
221.92371	0.7
243.07777	5.4
261.08777	100.0
262.09103	9.0
348.58368	0.7
367.13040	30.3
367.16785	1.2
368.13281	4.3
386.59576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1548
Annotation	Edulane
Peak:m/z	Relative Intensity
50.33597	0.8
59.01389	4.2
61.28199	0.7
71.01397	0.8
71.50503	1.2
79.95747	0.8
118.11534	0.8
119.05013	2.7
163.03954	2.0
171.10226	2.5
176.43002	0.8
180.47417	0.8
184.05350	0.9
225.05582	1.2
235.07690	2.5
237.05583	5.2
238.06267	1.1
240.04216	3.5
241.04863	1.4
249.05527	2.8
250.06181	3.3
251.06973	1.5
252.04265	2.4
252.07808	2.3
253.05066	4.1
254.05818	1.2
255.06590	3.6
256.07092	1.1
263.07095	11.4
264.07883	3.5
265.05093	4.7
265.08334	1.1
266.05801	6.9
276.07843	1.5
277.08493	1.1
278.09323	1.7
279.06583	7.9
280.07367	8.2
281.08157	17.2
281.11340	1.7
282.08447	1.5
290.05652	0.9
291.06616	12.8
291.10236	3.6
292.04068	2.0
292.07437	37.5
292.10883	4.3
293.07880	5.8
293.11624	2.2
293.20905	1.8
294.08893	3.8
295.09686	3.2
296.87131	1.0
305.08423	1.8
305.11819	1.0
306.08923	3.2
307.09747	30.1
307.13303	2.2
308.06796	5.1
308.10239	5.7
309.07541	2.1
309.11270	8.2
309.20618	2.6
313.07056	1.1
320.10419	2.7
321.11182	2.4
323.09152	7.9
323.12906	2.5
324.09848	1.2
324.13547	4.1
335.12952	2.0
338.11572	13.9
339.11911	1.9
339.15863	1.8
352.13147	16.1
353.13370	2.4
367.15506	100.0
368.15775	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	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
70.51630	1.4
70.51941	0.8
71.01380	0.9
89.02446	3.0
91.04002	13.8
97.02934	2.3
160.11232	0.9
179.14407	2.2
195.13885	8.6
205.15979	1.0
223.13374	5.2
256.13245	1.5
260.07870	0.9
261.11063	1.6
262.11832	7.4
275.20151	4.7
293.21207	100.0
294.21570	13.0
309.20639	2.8
331.18936	5.2
367.15677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49903	0.3
57.03440	3.4
59.01380	3.6
60.98222	0.3
61.98819	0.6
70.06177	0.6
70.06574	0.5
71.01363	0.3
76.48244	0.3
83.04999	0.3
91.04012	0.5
97.06586	0.8
109.06584	1.0
113.09722	17.2
114.10071	0.6
126.08898	0.3
138.30386	0.3
139.11229	2.3
149.09727	0.5
165.12810	0.3
167.10777	1.7
173.34624	0.3
177.12856	1.1
179.10782	1.8
195.13889	2.5
201.55322	0.3
214.74809	0.3
244.02692	0.3
249.22218	2.4
275.20117	1.0
293.21194	100.0
294.21530	11.1
367.24753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84380	1.5
51.37426	1.5
51.75028	1.5
52.44314	1.2
55.21095	1.3
57.03441	2.8
59.01370	6.4
61.98829	100.0
69.17538	5.1
69.17960	9.0
71.01372	5.4
72.02300	1.4
73.02968	2.1
74.99086	3.6
78.30486	1.4
85.02966	1.7
89.02459	4.0
99.02757	8.5
99.04577	1.8
101.02444	1.5
113.02463	2.1
115.08749	1.6
116.63110	1.4
119.03532	1.5
122.68885	1.4
130.16736	1.7
147.04543	1.8
155.05334	5.9
157.09784	3.0
162.27557	1.4
162.69228	1.5
164.07094	1.9
206.12656	3.0
219.14952	2.2
239.11102	8.5
276.03278	1.6
283.62152	1.6
305.15094	9.7
309.73969	1.5
381.56076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55930	1.3
59.01383	100.0
61.98822	1.6
69.22367	14.8
71.01389	44.8
72.99311	1.8
73.02940	4.3
78.03876	1.5
83.01421	1.8
83.49398	1.6
84.53282	1.7
85.02945	6.1
87.00887	7.3
89.02448	5.0
94.36489	1.4
101.02454	7.9
113.02452	4.7
119.05035	3.6
133.05075	51.3
134.05408	2.5
135.04559	2.6
143.03520	1.6
161.04591	6.4
169.74998	1.5
187.06091	6.5
207.06680	2.1
221.04593	1.8
249.09798	11.2
277.09271	19.6
278.09641	1.7
324.87656	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	369.2278
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
57.03448	0.6
59.01381	6.9
59.34421	0.6
60.96254	0.6
61.98841	1.2
71.01395	1.8
71.50594	0.8
71.51015	0.9
89.02467	1.8
91.03986	5.6
93.63283	0.8
113.09704	1.1
128.64772	0.8
139.27983	0.8
139.42694	0.7
151.07697	1.0
151.92957	0.7
152.59222	0.8
170.05867	4.1
171.10258	6.9
195.13864	6.1
222.08751	1.0
222.29659	0.6
233.19067	2.0
251.20068	1.7
277.18082	100.0
277.21588	13.4
278.18433	11.5
278.21933	1.6
295.19131	52.2
295.22754	61.5
296.19467	4.8
296.23102	7.0
333.20602	1.0
369.22769	66.5
370.23120	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	369.2434
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
50.21805	0.3
54.92813	0.3
58.38169	0.3
59.01375	1.0
61.98819	0.5
71.01394	0.4
71.40127	0.7
72.45185	0.3
76.05187	0.3
79.55624	0.3
103.40067	0.3
104.02694	0.6
112.12872	0.3
117.07119	0.6
133.10243	2.7
147.08165	1.3
149.09717	0.8
151.11264	0.5
161.09714	1.6
163.11285	100.0
164.11610	6.5
179.10773	20.0
180.11099	1.4
187.11256	1.1
193.12335	24.2
194.12683	1.1
205.08717	0.6
279.13840	0.6
280.14816	0.4
307.17145	0.4
309.22165	0.8
337.21722	12.4
338.21967	2.2
369.24323	78.0
370.24658	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	369.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69118	0.4
51.19799	0.4
57.03440	1.3
58.00583	0.5
59.01376	5.5
65.65295	0.4
69.22526	0.4
69.32807	3.8
71.01361	1.1
89.02438	3.0
91.03998	11.3
91.83110	0.4
96.59803	0.4
98.20724	0.8
113.09708	1.8
113.10394	0.4
126.90511	0.7
179.14417	1.3
195.13890	16.4
196.14180	1.2
240.30019	0.4
263.65341	0.4
277.21698	16.0
278.22101	1.8
283.26553	0.4
295.22760	100.0
296.23099	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	369.3008
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03423	0.9
59.01350	0.6
69.52709	2.6
71.05012	0.5
84.04432	0.4
86.22189	0.4
98.20693	0.8
231.99046	0.5
246.90662	0.5
264.68607	0.4
279.26819	0.5
305.28406	0.9
307.30032	62.0
308.30377	9.9
308.33405	0.3
325.31030	1.3
351.29001	15.8
352.29489	2.8
369.30057	100.0
370.30435	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19352	6.4
59.01382	59.1
61.98835	10.6
121.02951	100.0
122.03328	11.0
178.02788	46.8
181.06554	9.4
208.00513	20.4
268.02591	7.7
270.82343	8.6
313.07065	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	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67795	7.8
59.01385	43.5
61.98833	71.5
62.97396	7.9
69.16037	100.0
73.53369	9.4
119.70795	8.1
121.02972	63.3
141.82776	9.3
163.03746	9.6
241.05000	19.7
255.06595	13.7
256.07361	10.1
283.20663	10.6
338.11560	11.2
353.13852	15.7
371.08975	49.2
371.14780	26.9
371.18939	17.4
371.24780	11.7
384.94864	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.1
69.79352	5.0
71.01383	10.1
72.99304	1.3
73.02936	2.9
82.32697	1.0
85.02946	4.8
87.35182	1.2
89.02435	3.0
101.02458	6.6
113.02461	5.1
119.03373	1.3
147.04532	1.8
147.08133	1.2
149.06055	11.9
161.04556	17.9
191.03484	4.9
191.07016	1.3
209.04561	7.6
209.08173	18.9
221.06589	10.4
243.35591	1.3
356.53635	1.1
371.09668	1.3
371.13571	9.3
371.17947	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	371.0983
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
50.43035	1.4
59.01379	100.0
60.01706	1.7
60.55287	1.4
61.98808	1.5
63.30703	1.7
66.72105	1.7
66.86652	1.4
71.01381	10.2
71.26956	1.5
71.48319	2.0
73.02946	4.8
85.02942	5.0
87.00848	3.3
89.02462	1.9
99.00852	2.1
101.02431	6.7
110.02467	1.7
112.44852	1.3
113.02429	4.7
119.03509	2.3
121.06595	3.2
123.04489	4.1
130.42973	1.4
138.76382	1.6
142.99762	1.5
143.03445	2.3
147.04523	1.5
149.06091	4.6
151.03871	2.0
159.02975	2.0
161.04561	23.8
165.05588	8.2
166.02095	1.4
174.60442	1.5
191.03400	3.1
209.04550	5.9
209.08223	4.0
221.06686	12.9
302.00934	1.6
371.09460	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	371.1134
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
53.78973	2.9
59.01377	55.9
71.01367	6.7
71.50317	4.6
101.02409	4.8
108.02179	3.8
111.33286	2.7
113.02420	3.7
116.93908	3.4
117.15271	3.2
119.05010	22.8
123.04506	4.0
137.34671	3.7
147.04514	56.2
148.05295	47.1
150.03169	6.5
160.05263	4.5
161.04640	6.3
161.06041	12.0
162.03165	10.6
162.06747	6.8
163.07651	4.9
165.05659	3.8
174.22437	2.9
176.04729	14.5
180.04253	9.1
189.05530	3.5
191.03503	91.9
191.07109	89.1
192.04018	11.1
192.07489	5.6
193.04909	3.0
194.05792	10.9
206.05824	13.7
220.03738	16.8
221.06555	4.7
222.06787	3.6
224.03276	16.4
233.04460	11.5
234.05215	7.8
235.06049	31.2
238.04788	39.1
239.07072	6.5
241.05023	8.6
242.05768	3.9
247.06287	3.0
249.05537	3.4
250.06372	4.2
251.06998	11.5
255.06554	10.9
256.07330	8.6
263.07071	4.3
267.06573	24.7
268.07303	16.9
269.07675	3.1
279.06607	18.1
281.07990	3.5
282.08884	9.7
283.09756	4.3
294.05664	5.4
294.08936	12.1
295.06015	4.8
295.09592	4.9
295.12988	3.2
297.11081	4.0
299.12845	6.1
309.07629	13.5
309.10974	5.5
312.06088	3.4
322.08365	6.7
323.05579	13.3
327.08557	10.1
327.12292	19.6
328.12524	4.0
337.07098	3.3
338.07761	17.1
338.11487	5.8
341.10226	23.3
353.10254	45.2
353.14044	7.8
354.10547	5.9
371.11221	100.0
371.14999	8.4
372.11594	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	371.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.3
59.01381	7.7
59.01661	0.8
60.92870	0.4
61.67498	0.3
69.61548	1.8
69.65314	0.4
71.01388	2.4
73.02985	0.4
83.01358	0.4
85.02957	1.1
87.66952	0.3
89.02450	1.3
92.05058	2.9
93.03425	0.5
98.93865	0.4
101.02424	0.6
106.93240	0.4
109.02943	0.9
113.02435	1.2
116.05067	1.7
118.06625	13.2
118.96642	0.5
119.03465	0.4
119.04977	0.6
119.06954	0.5
121.02955	0.8
128.05063	19.2
129.05453	0.7
131.03763	15.0
132.04117	0.7
134.06137	0.5
144.04549	94.1
145.04889	4.8
146.06114	52.7
147.06451	3.0
158.06100	1.2
161.04626	1.0
163.04010	0.9
172.04044	10.2
190.05089	100.0
191.05431	6.7
249.08794	53.5
250.09131	4.4
312.08820	2.4
314.31216	0.4
371.12521	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.46291	0.9
58.17946	0.9
58.90414	0.7
59.01377	73.0
69.27373	0.8
69.59365	6.1
71.01376	5.0
72.34659	0.9
72.99308	1.3
73.02931	1.0
74.10964	0.9
83.80589	0.9
85.02940	3.1
88.04028	2.2
89.02430	2.6
91.61206	0.9
95.40638	0.8
98.20604	1.8
98.69302	0.9
101.02454	4.3
106.04228	1.8
107.05067	1.7
113.02430	2.7
114.05611	2.0
119.03476	1.5
122.06139	1.2
128.03531	1.5
129.10397	1.2
135.76669	0.8
145.06215	1.0
147.04489	2.0
147.08153	3.5
149.06070	60.3
150.06403	3.7
161.04539	4.5
163.04091	0.8
191.03427	2.4
196.14551	1.1
209.04507	4.0
209.08173	100.0
210.08568	7.0
221.06627	3.4
234.36859	1.0
251.05508	1.0
371.13446	51.8
371.23260	1.6
372.13864	5.4
372.21713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31045	1.4
53.49622	1.4
55.01870	1.4
57.97727	1.4
58.00579	3.5
59.01377	100.0
61.98834	2.6
62.73899	1.3
71.01376	55.9
71.50338	1.5
71.50697	2.4
72.97537	1.7
72.99294	6.3
73.02955	4.0
80.05037	2.2
82.06606	3.2
83.01386	4.4
84.04552	13.6
85.02946	14.0
87.00876	4.8
89.02441	58.9
93.65616	1.3
95.01385	4.4
99.92556	1.6
101.02440	41.9
102.05605	45.9
104.05045	2.4
109.92661	1.6
113.02445	20.2
115.08778	1.5
119.03496	32.0
122.06130	7.4
122.86150	1.3
123.04531	2.9
128.03537	89.3
129.10333	14.5
130.08740	15.6
131.03510	3.4
136.07701	3.6
139.08765	3.0
143.03496	4.4
146.04575	22.8
148.07672	23.7
149.04535	1.9
149.06056	4.6
150.06450	3.5
153.01872	1.6
161.04524	5.4
166.05016	9.1
166.08717	10.2
167.03461	3.1
171.14998	14.9
178.02689	2.3
179.05621	8.3
191.03520	2.3
192.00688	2.1
192.06679	5.3
193.08633	1.4
195.14987	4.2
197.16545	5.5
199.18121	5.8
209.04376	1.5
209.06654	1.4
210.06859	20.7
211.05879	2.2
211.07629	4.6
223.10829	8.3
225.16054	18.1
242.18739	6.3
243.17097	38.7
244.17502	2.8
284.23376	6.3
328.13983	58.8
328.22192	13.5
329.14453	3.9
343.19989	1.9
372.09164	2.2
372.21332	81.0
373.07443	3.1
373.11859	10.1
373.21606	9.2
377.50357	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	72.7
61.98817	67.6
62.10950	22.3
69.43859	88.6
69.44285	100.0
94.76273	28.2
94.82594	26.1
103.70738	24.8
121.39137	25.3
129.94701	26.3
185.61453	24.4
232.08839	24.2
264.89914	26.4
272.21088	25.8
357.10861	68.2
372.15463	28.9
378.86987	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	44.9
61.98825	100.0
66.17764	15.8
71.41898	31.2
79.12857	14.6
182.85109	16.9
256.06934	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89260	0.5
59.01382	24.3
61.98834	1.6
69.76027	3.5
71.01385	12.5
71.66786	0.5
72.99310	1.0
79.37809	0.6
83.01389	1.2
83.61555	0.7
85.02964	2.7
87.00886	0.9
89.02448	12.3
95.01391	1.7
98.23353	0.6
101.02453	10.1
107.01392	1.0
108.02187	10.6
111.00912	0.9
113.02456	4.5
119.03506	5.2
121.02958	1.3
122.03744	1.3
123.00892	5.0
123.04556	6.5
124.01711	3.0
133.02948	0.6
136.01646	1.4
137.06039	1.9
148.01590	0.8
149.02423	2.0
150.03209	10.4
151.00334	0.7
151.03844	0.8
164.65736	0.6
165.05516	2.0
167.03401	1.4
177.01900	2.7
178.02719	46.8
179.03044	4.0
192.62354	0.6
193.05052	100.0
194.05388	6.0
210.47060	0.6
211.06157	1.0
214.61693	0.7
344.56607	0.7
373.07629	3.3
373.11624	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94241	0.5
55.71360	0.6
59.01375	23.8
60.01677	0.5
61.98824	3.4
69.84180	2.3
70.00773	0.5
71.01382	10.7
71.35702	0.5
72.99289	1.6
80.44642	0.5
83.01389	0.9
85.02948	2.9
87.00844	0.5
89.02439	11.6
95.01377	1.8
101.02446	7.4
107.01370	0.6
108.02167	11.1
111.00871	1.4
113.02444	4.2
119.03472	5.4
121.02965	0.6
122.03714	1.7
123.00884	4.1
123.04504	4.6
124.01684	2.5
134.03716	0.6
136.01649	1.3
137.06070	1.5
149.02432	2.2
149.04462	0.6
150.03215	9.6
151.03989	0.9
152.04967	0.6
164.04724	0.7
165.05556	1.7
177.01907	2.2
178.02698	49.4
179.03011	3.0
193.05042	100.0
194.05385	5.5
195.61865	0.6
203.49167	0.6
211.06046	0.8
256.59625	0.6
373.07532	1.6
373.11398	5.5
374.11627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.78360	0.8
59.01377	100.0
60.01693	1.2
65.31625	0.7
67.55305	0.8
69.15342	8.3
71.01372	9.8
73.02950	4.3
85.02955	1.6
89.02453	7.6
96.49089	0.8
101.02422	6.5
101.64668	0.7
104.05081	1.2
113.02431	4.1
119.03493	1.9
122.06073	2.3
124.35364	0.8
132.04544	4.3
138.14731	0.8
151.07526	0.8
152.07188	5.8
244.13194	0.9
297.12238	1.8
333.19525	0.9
341.11426	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	1.0
71.01373	8.3
71.51060	0.9
73.02940	5.2
83.01399	1.3
85.02956	2.1
89.02447	6.1
101.02435	7.3
113.02460	4.9
119.03514	3.1
122.06123	2.7
132.04556	5.9
148.04025	1.2
151.07652	1.0
152.07181	7.1
224.08411	0.7
297.12543	1.7
341.11429	6.5
343.12183	0.8
373.14084	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03450	1.7
58.00607	1.0
59.01379	100.0
60.01720	1.8
61.01041	0.8
69.03474	0.9
71.01379	21.6
71.50352	0.8
72.99308	1.4
73.02948	9.3
78.45433	0.6
81.07112	2.2
83.01389	4.2
85.02953	8.9
86.00119	2.7
87.00906	2.3
87.04531	0.8
89.02443	9.2
95.01394	1.7
99.00871	1.9
101.02448	17.4
101.06128	0.9
113.02440	9.3
115.92027	0.8
119.03508	3.9
123.08163	0.9
125.02460	1.4
131.03555	0.8
143.03502	0.7
159.02986	1.1
159.06645	3.6
161.04544	7.7
179.05614	1.6
211.13382	1.1
216.13614	0.7
243.16014	1.0
249.09885	1.8
313.16504	0.9
331.17624	2.6
337.17648	1.0
353.32306	0.8
373.14267	1.3
373.18631	21.0
373.26212	2.4
374.19104	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01862	1.5
57.03450	1.7
58.00607	1.0
59.01379	100.0
60.01720	1.8
61.01041	0.8
69.03474	0.9
71.01379	21.6
71.50352	0.8
72.99308	1.4
73.02948	9.3
78.45433	0.6
81.07112	2.2
83.01389	4.2
85.02953	8.9
86.00119	2.7
87.00906	2.3
87.04531	0.8
89.02443	9.2
95.01394	1.7
99.00871	1.9
101.02448	17.4
101.06128	0.9
113.02440	9.3
115.92027	0.8
119.03508	3.9
123.08163	0.9
125.02460	1.4
131.03555	0.8
143.03502	0.7
159.02986	1.1
159.06645	3.6
161.04544	7.7
179.05614	1.6
211.13382	1.1
216.13614	0.7
243.16014	1.0
249.09885	1.8
313.16504	0.9
331.17624	2.6
337.17648	1.0
353.32306	0.8
373.14267	1.3
373.18631	21.0
373.26212	2.4
374.19104	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	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74892	0.6
59.01118	0.7
59.01383	10.9
71.50603	0.9
77.37094	0.6
78.24259	0.5
79.22431	0.5
93.03446	2.0
95.05025	0.5
113.06071	0.7
119.05101	0.5
122.90175	0.6
125.06163	1.1
148.08932	1.2
150.10504	1.2
163.11264	0.9
165.12846	23.3
166.13161	1.7
176.11984	0.7
191.14383	1.0
217.16014	0.7
229.19693	0.7
239.12866	0.6
244.10780	4.0
247.20642	10.8
248.21164	1.4
250.53214	0.6
273.18643	4.3
291.19659	100.0
292.20001	13.4
313.17886	13.6
314.18140	1.7
345.20099	0.7
373.19946	12.2
374.20224	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	374.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79736	0.6
54.71259	0.6
59.01369	2.6
59.79153	0.6
61.98828	100.0
65.40703	0.7
69.22885	4.0
69.23309	2.1
71.01385	2.0
72.97525	0.7
89.02449	1.1
100.95528	0.7
101.02425	1.1
106.06660	1.3
113.02448	0.9
115.25797	0.7
121.23037	0.7
123.04587	0.7
133.02943	2.1
138.05612	0.7
144.49557	0.6
149.26672	0.6
149.57494	0.7
168.06715	1.7
177.01968	1.4
182.03735	1.2
183.04150	2.4
210.03275	2.2
211.03752	4.8
212.04297	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02307	7.5
57.89614	6.5
59.01373	100.0
60.07660	7.1
61.33200	9.1
61.98824	12.1
71.01357	12.3
71.50440	13.5
73.22649	7.5
87.87775	7.2
89.02385	8.1
96.80900	6.8
99.61347	6.8
127.60478	7.2
129.05583	18.9
165.36943	7.4
189.07649	63.4
209.62161	7.4
232.74409	9.6
281.22470	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	374.8861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	66.1
61.98820	1.3
67.01865	1.2
68.99796	1.7
69.19119	8.6
69.19524	3.1
71.01365	1.6
72.99292	4.3
78.95903	5.6
82.05656	1.7
83.57102	1.4
95.01363	4.7
96.96028	8.9
112.98808	2.3
113.02431	1.4
116.02268	1.4
118.96583	1.3
132.98196	1.7
134.96082	1.7
136.93994	7.3
167.02077	1.8
174.99231	24.8
178.94981	3.8
199.39095	1.4
217.00284	89.2
218.00601	3.6
220.99315	1.6
232.88385	1.4
255.85677	1.2
263.84924	3.6
270.87634	3.7
272.85428	61.2
273.85486	7.2
274.88644	1.5
287.84125	8.3
288.88541	6.6
290.87164	43.5
291.86902	2.4
303.82721	15.2
304.32666	3.1
304.82449	4.0
304.89307	1.7
314.86536	100.0
315.86749	8.5
318.91138	1.5
330.89410	2.7
330.93060	2.7
332.88165	32.6
333.87946	2.3
374.85254	1.4
374.89713	3.4
374.99197	5.1
392.80392	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	374.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56072	0.5
59.01377	72.3
60.01711	0.7
61.98833	2.5
63.33946	0.4
69.27322	4.1
78.33429	0.4
82.20544	0.4
90.97148	1.5
100.57844	0.4
112.41918	0.4
114.98880	0.7
121.81607	0.4
132.98190	2.7
136.18802	0.4
156.99899	1.1
174.99237	28.7
175.99567	0.6
201.02515	1.7
202.02577	0.8
217.00276	100.0
218.00664	3.6
227.92464	0.5
232.52429	0.5
314.98840	0.8
366.04865	0.5
374.99121	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	375.0874
Annotation	Dehydromillettone
Peak:m/z	Relative Intensity
58.66053	0.6
59.01364	2.3
61.77362	0.7
63.55785	0.6
69.17812	7.0
69.73471	0.7
111.57488	0.6
114.71291	0.6
124.42453	0.6
136.01627	0.8
141.03835	0.6
145.02979	1.4
166.55161	0.6
178.99855	1.3
185.57079	0.7
190.02707	14.5
191.02930	0.8
196.05244	2.0
224.04814	4.2
225.05086	0.8
239.07111	3.1
259.07669	1.5
261.05670	1.4
271.07666	1.8
274.06219	1.6
275.07028	1.4
285.05609	1.4
285.14941	0.7
286.06393	1.2
287.06982	3.3
289.05029	7.7
290.05832	48.2
291.06549	32.4
292.06985	4.0
297.05536	4.2
299.03592	0.8
303.06702	1.8
304.07419	8.5
305.07855	0.8
313.05115	3.4
314.05844	9.8
315.06616	33.2
316.07257	5.7
317.04590	7.5
317.07883	1.1
324.77933	0.7
330.05283	1.5
331.06042	9.2
332.06821	13.4
333.07303	2.4
338.97885	0.8
342.05350	2.3
343.05984	3.1
344.06506	0.9
345.07620	1.2
347.09174	4.0
359.05591	24.0
360.06305	18.5
360.10489	1.3
361.06671	1.6
375.08698	100.0
375.19955	2.1
376.09045	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	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.71965	0.9
61.98830	14.2
63.49694	0.9
71.01379	4.4
71.49271	1.5
73.04046	1.9
78.27014	1.0
89.02425	2.5
95.01360	1.4
99.00822	1.2
101.02433	3.3
105.01937	1.4
113.02467	1.5
120.01267	1.1
120.02170	1.5
121.02908	1.1
123.04488	1.8
128.03529	1.2
135.04601	1.2
136.04056	7.6
138.03235	5.3
141.03401	1.4
148.04065	3.3
150.05598	1.4
151.04103	1.2
153.05576	63.9
154.05896	4.5
161.04497	3.0
179.03481	1.5
181.01605	1.2
182.02788	2.0
191.08286	5.3
192.06618	1.8
195.06549	2.4
199.73428	1.0
208.06172	1.6
213.01982	6.9
217.00186	2.3
250.08064	1.1
274.44617	1.0
282.06522	1.1
331.16150	1.8
374.35614	1.4
375.12494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43779	0.5
51.42435	0.6
56.02771	0.6
62.13427	0.6
70.81501	1.3
70.81842	0.9
74.99059	1.3
80.61389	0.8
81.56403	0.6
125.25374	0.6
149.00951	0.6
159.08472	9.9
161.06427	1.4
192.98169	0.7
209.01236	2.7
211.71330	0.7
217.07205	1.1
248.35228	0.6
261.04276	0.8
275.05850	1.3
277.07501	2.7
289.07446	1.5
291.09088	87.3
292.09225	13.2
329.48447	0.7
357.13669	1.5
359.15326	100.0
360.15500	16.5
375.18442	5.2
376.18576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03460	1.4
58.00592	2.2
59.01381	50.6
60.01709	1.1
61.98820	1.7
69.20453	1.6
69.20863	3.7
71.01382	27.5
72.99304	3.2
73.02941	1.8
75.40639	0.6
83.01390	2.0
85.02946	6.5
87.00874	1.1
89.02446	24.1
91.33503	0.5
95.01387	2.0
98.19958	1.2
99.00896	1.2
101.02442	15.5
102.02782	0.5
113.02444	8.9
119.03503	8.5
121.02950	1.0
131.03577	0.6
141.90501	0.5
143.03491	0.7
153.05530	0.6
183.13995	0.7
195.13908	10.2
196.14238	1.2
213.14961	3.2
214.15425	0.6
360.06250	0.6
375.20233	100.0
376.20599	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29023	0.8
56.96943	0.8
59.01378	29.4
61.98831	1.4
69.96840	4.3
84.63201	0.9
94.52753	1.1
95.05022	34.8
96.05374	1.5
98.20673	0.9
99.92571	2.4
102.70226	0.9
121.10191	1.7
150.02956	1.4
157.30602	0.9
171.10287	4.7
189.05321	1.1
195.13852	11.3
205.12289	1.3
223.13411	9.8
228.13643	1.5
246.12334	12.6
247.12573	1.0
256.13171	2.8
275.20166	12.4
276.20422	1.8
278.11325	81.6
279.11707	7.5
293.21207	100.0
294.21539	12.9
315.19376	17.6
316.19763	2.6
338.12201	4.1
375.21225	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11325	1.2
59.01377	43.8
61.98838	2.6
63.25332	1.1
70.57339	1.0
71.01366	1.3
71.05005	4.9
71.08054	2.4
71.50155	1.0
82.00543	1.0
127.93909	1.0
208.97560	1.1
221.15472	1.5
223.16956	2.8
227.00310	1.0
231.21176	1.9
235.17006	32.4
236.17271	1.7
272.38513	1.1
275.20126	29.6
276.20444	4.5
293.21204	100.0
294.21579	13.0
315.19452	1.8
359.01071	3.3
361.70593	1.2
375.21481	31.1
375.26358	2.0
376.21790	3.6
380.26617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.16101	11.7
69.32398	97.9
77.55839	12.1
133.27216	13.0
155.89142	14.2
240.61499	11.5
277.21686	71.9
316.02216	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	376.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.8
59.01382	100.0
60.01723	1.7
61.98831	3.2
71.01382	30.1
71.50661	1.5
72.99312	2.4
73.02931	2.9
76.97935	1.2
84.26487	1.3
85.02927	3.9
87.00906	1.7
89.02447	43.6
95.01358	1.8
101.02456	13.8
101.22716	1.3
113.02448	13.7
119.03497	15.8
129.73209	1.2
129.76868	1.3
131.03452	1.6
131.93407	1.4
135.14253	1.4
143.03479	2.9
149.04524	1.4
161.04570	1.7
175.49962	1.4
179.05626	4.6
296.06134	2.2
377.14066	1.4
389.68250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98826	100.0
69.33426	1.9
69.84203	0.3
96.95995	0.3
130.95242	0.2
153.35771	0.2
153.85608	0.2
170.60292	0.2
237.87456	0.2
291.19739	0.7
376.17416	3.4
376.21765	0.3
377.17755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48405	0.4
98.19843	0.7
105.18453	0.4
109.02983	0.5
122.03714	0.5
136.01706	0.6
137.02437	3.5
143.05008	0.6
145.02951	0.7
150.03244	0.9
153.36693	0.5
161.02412	1.4
165.01988	0.7
183.04457	0.5
189.01942	0.6
190.02710	9.1
191.03175	0.8
196.05258	1.6
197.06041	1.4
211.03957	2.3
224.04797	7.2
225.05545	12.5
226.06110	2.0
241.08690	0.7
255.02921	5.7
263.07162	1.5
264.07709	0.5
265.08490	0.6
274.06400	0.5
277.04971	0.9
287.07108	1.3
288.07666	0.5
289.08585	0.9
290.05814	0.5
291.06613	3.5
292.07339	5.6
293.08145	9.4
294.08450	0.5
298.06445	0.8
299.07172	1.7
301.05075	0.6
302.05872	0.6
303.06512	0.5
305.08243	0.6
315.06528	4.0
316.07227	2.8
317.08093	6.5
318.08636	1.0
319.06155	2.3
326.05688	0.6
327.06467	2.2
329.04550	0.7
330.05188	1.7
331.05624	0.6
332.06903	0.5
333.04010	2.9
333.07635	24.7
334.08047	5.3
343.06015	1.7
344.06775	2.2
345.07632	19.6
346.08084	2.4
347.05386	0.5
361.07117	5.2
362.07892	6.3
363.08258	0.8
377.10263	100.0
378.10565	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	377.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	0.9
61.98871	0.4
63.56757	0.3
64.27265	0.4
69.84384	1.2
69.84774	1.0
91.38809	0.5
95.65530	0.4
108.02179	0.7
122.03811	1.2
123.00951	0.6
124.01685	0.7
148.01665	3.5
149.02448	4.4
175.00386	0.6
183.04610	0.5
185.06140	0.8
211.04109	0.8
213.05583	0.4
219.42436	0.5
226.06378	2.6
230.91307	0.5
238.06381	0.7
241.08685	1.9
249.09743	0.4
261.09106	2.6
271.06204	0.8
287.07169	1.0
288.07825	0.6
289.08780	3.1
297.05688	0.7
299.07147	4.2
300.07361	0.5
305.08273	1.2
306.09183	0.5
315.06534	2.4
316.07367	14.0
317.08157	58.9
318.08511	7.4
319.09744	3.3
327.06561	2.7
331.09784	1.4
333.07660	14.7
334.08435	30.8
335.08801	3.6
343.06259	0.6
344.06790	3.0
345.07654	20.5
346.08020	2.8
347.09198	2.7
349.10794	33.2
350.11047	4.1
359.09143	1.9
361.07132	3.8
362.07632	0.8
362.11520	2.4
376.43951	0.4
377.10229	100.0
378.10568	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	377.1029
Annotation	Glabrescione A
Peak:m/z	Relative Intensity
50.38859	0.4
59.01355	0.8
61.80446	0.5
68.51247	0.5
69.84534	2.1
72.18783	0.5
78.46667	0.5
97.75356	0.6
106.25040	0.5
122.03730	1.1
124.01617	0.7
136.01587	1.0
148.01663	2.9
149.02454	4.4
152.01184	0.5
158.07405	0.5
176.30176	0.5
183.04437	0.8
185.06079	0.8
207.76022	0.5
226.06372	3.1
241.08607	2.0
261.09161	2.9
287.07239	0.6
289.08600	2.7
290.09503	0.5
297.05515	0.9
299.07181	4.4
300.07538	0.7
305.08017	1.1
306.09119	0.7
315.06595	2.1
316.07361	13.2
317.08145	58.7
318.08548	7.1
319.09598	2.6
327.06601	2.3
331.09760	1.9
333.07669	16.5
334.08411	29.4
335.08777	3.6
344.06754	3.3
345.07651	17.7
346.08041	3.1
347.09229	2.7
349.10794	34.8
350.11108	5.5
359.09250	1.3
361.07141	3.3
362.07471	0.8
362.11542	2.2
377.10248	100.0
378.10538	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	377.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44145	1.9
55.01876	3.6
56.08325	1.7
57.03435	3.3
58.67859	1.8
59.01380	44.1
68.99808	2.4
71.01376	26.4
72.99307	13.0
73.02950	8.2
75.00869	4.9
83.01395	4.7
85.02943	3.9
87.00869	4.9
88.98811	5.0
89.02460	6.7
99.00871	9.7
99.08151	25.5
101.02428	8.3
102.69199	2.0
103.00407	3.3
111.00843	3.4
112.98801	15.5
113.02423	4.1
115.00364	15.3
124.98840	1.9
127.07645	25.9
129.01927	5.5
129.05580	66.7
130.05930	2.9
135.59314	1.8
142.99863	24.9
145.01424	15.7
145.17599	2.0
147.04504	1.9
153.05550	2.9
154.99863	7.0
161.04575	2.3
163.04063	2.3
164.07132	3.3
171.06619	4.3
173.00859	11.6
173.19601	1.9
175.02501	3.8
189.07669	100.0
189.15599	2.3
190.07993	4.4
205.03514	13.7
215.12975	2.7
227.08313	3.8
257.12878	14.0
262.64935	1.9
295.58734	1.9
296.06125	2.3
343.12891	4.9
345.10623	2.1
377.08902	2.4
377.18015	22.5
378.18396	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	377.1421
Annotation	Go 6976
Peak:m/z	Relative Intensity
57.96657	0.6
61.52643	0.6
61.98831	0.9
72.38200	0.6
73.35509	0.6
74.12886	0.6
75.60277	0.7
77.78109	0.6
96.96054	0.9
99.92581	80.0
100.92589	4.5
100.93361	3.0
114.51400	0.5
115.92072	39.5
116.92856	100.0
117.92873	5.8
152.99602	0.8
241.21724	5.4
274.40820	0.6
277.21640	1.1
290.06036	0.9
308.07330	2.9
315.14291	0.9
320.07776	0.7
322.08835	0.6
333.15433	1.0
337.46313	0.7
341.11853	0.7
359.13098	2.7
373.10983	3.3
374.11502	1.0
375.01910	0.7
377.14224	45.8
378.14462	7.2
387.09299	0.8
391.12054	3.7
392.12723	1.3
394.40820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.6
61.09874	0.8
61.98826	3.1
62.36834	0.8
69.82580	3.2
69.82998	1.5
95.05012	6.0
113.09735	2.8
179.14384	1.7
195.13889	18.0
196.14183	1.1
201.09224	0.7
217.12158	1.2
249.11069	1.0
249.22144	1.1
277.21683	13.1
278.11292	5.3
278.22122	2.1
295.22754	100.0
296.23074	11.1
317.20929	47.1
318.21414	4.3
332.61078	0.9
341.10678	1.2
361.20038	5.3
377.22748	4.9
377.27121	1.5
378.23502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01377	47.5
61.98826	100.0
62.96677	0.5
66.38547	0.5
71.01376	10.6
72.99312	2.6
73.02950	1.4
75.00869	0.8
83.01377	3.0
83.71139	0.6
85.02956	2.9
86.04954	0.6
87.00879	1.3
87.04524	0.7
88.04027	0.9
89.02448	7.0
95.01376	1.0
98.19778	1.1
101.02441	6.0
109.02956	1.5
113.02433	4.0
115.00385	0.8
115.08789	0.9
119.03496	3.0
122.06146	0.6
125.02443	2.3
128.85341	0.6
133.02939	0.9
135.04491	0.8
143.07149	0.8
146.06175	0.7
149.02405	0.8
149.04567	0.5
150.05602	0.7
151.00371	2.6
153.01927	33.3
154.02303	1.3
159.03027	0.7
161.02477	4.0
161.04596	2.8
162.02791	1.2
173.06081	0.7
177.01849	0.8
179.03540	0.8
181.08714	0.9
194.04579	1.0
195.02968	1.1
199.09790	2.6
209.30853	0.7
263.14276	0.6
277.12665	0.7
285.08792	0.8
315.07190	9.9
316.07645	0.7
319.13898	7.4
334.54697	0.7
341.08368	0.7
361.14920	1.0
378.08423	0.8
378.16302	0.9
378.20514	0.7
379.11386	0.8
379.16138	8.1
379.19852	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	378.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98829	100.0
62.37917	0.5
66.90803	0.5
66.93455	0.5
69.89616	2.9
72.02355	0.5
78.82547	0.7
92.90211	0.6
93.03458	66.7
101.49323	0.5
106.84771	0.6
121.02990	0.7
134.03729	13.0
149.06076	28.8
166.02744	0.8
217.01480	0.6
227.07088	1.9
243.10330	0.7
253.08777	2.6
255.06564	4.2
270.09027	3.7
285.11301	22.9
379.15720	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94864	1.3
59.01367	5.1
61.98828	100.0
63.23407	1.5
70.88927	1.4
85.22795	1.2
93.03438	1.4
108.02166	2.2
113.16830	1.4
210.06583	1.7
215.45897	1.3
224.20869	2.1
238.06068	2.1
239.06706	3.4
254.08888	3.2
278.15472	1.7
305.17627	2.5
320.10010	3.2
333.07111	1.8
348.09534	18.5
349.09656	2.3
363.12009	7.5
378.14279	26.5
379.11487	3.2
379.21121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67152	0.2
52.58170	0.2
59.01372	0.3
61.98826	100.0
78.47865	0.2
95.57708	0.2
95.97089	0.2
96.96018	0.4
109.73587	0.2
141.20865	0.2
146.71098	0.2
149.16092	0.2
169.93472	0.2
172.98964	0.2
186.46907	0.2
293.21353	0.5
341.09973	0.4
378.19009	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	379.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
61.98846	0.8
84.92336	0.7
93.03467	9.9
96.95977	1.3
97.06635	1.1
121.02956	41.6
122.03793	7.1
124.01632	0.9
129.05576	1.0
135.04509	4.6
137.02431	2.4
149.06139	1.2
154.02708	2.8
172.45753	0.8
183.08186	1.8
185.04439	0.8
210.06866	0.9
211.07655	0.8
225.05611	2.6
227.07120	72.2
228.07625	11.2
241.08690	9.4
242.09419	6.8
243.06596	7.3
243.10243	5.3
244.07018	0.8
245.56775	0.8
255.06708	1.4
257.08182	3.5
257.11813	20.6
258.09070	1.2
258.12115	2.2
271.09689	1.1
275.08917	1.0
341.23285	2.5
364.13113	2.6
379.15454	100.0
380.15784	12.9
389.26904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82266	0.7
55.50108	0.6
59.01379	3.2
61.10543	0.6
61.98823	0.9
75.55573	0.6
75.80021	0.7
93.03448	8.5
96.95985	0.9
101.02406	0.9
104.04319	0.7
121.02948	37.9
122.03794	7.5
124.01606	0.7
129.05537	0.7
134.03662	0.7
135.04495	4.5
137.02415	1.9
149.06075	1.6
151.03973	1.3
154.02676	2.2
157.27020	0.6
183.08139	1.7
184.04442	0.6
185.06036	1.2
213.05473	0.8
225.05565	3.1
227.07109	76.1
227.22334	0.8
228.07591	8.8
241.08664	9.9
242.09361	4.9
243.06575	6.4
243.10194	5.1
244.10352	0.9
255.06531	1.3
256.07339	0.7
257.08102	4.1
257.11810	19.1
258.08984	1.1
258.12161	1.4
271.09723	1.0
335.99802	0.7
341.23227	2.2
364.13135	1.6
379.15436	100.0
380.15771	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61402	0.7
57.03458	0.8
58.00588	0.8
59.01378	100.0
60.01717	1.7
61.98830	1.9
66.92194	0.8
67.55895	0.6
71.01385	13.7
72.99310	4.5
73.02978	1.2
75.84369	0.7
80.05047	1.6
85.02953	3.7
87.00877	0.9
87.04542	1.3
89.02451	14.1
91.07492	0.7
99.00912	0.8
101.02443	9.1
103.24817	0.7
113.02444	4.6
119.03486	5.5
122.06146	1.4
132.04582	1.7
133.05101	0.6
139.07661	1.3
143.03506	1.1
143.07204	0.8
148.04066	2.2
150.05617	1.2
161.02408	3.7
161.04472	3.2
179.05669	1.9
181.08563	0.7
192.03078	1.5
194.04575	3.4
199.09717	6.5
200.10034	0.8
201.58557	0.6
216.04169	1.0
224.06433	0.6
231.11194	0.7
255.11542	1.0
314.71457	0.6
319.13983	18.7
320.14359	2.0
341.08685	0.9
343.09348	0.7
361.10907	1.0
361.15070	1.1
379.11325	2.9
379.16156	10.4
379.19727	1.1
380.16342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2849
Annotation	Persin
Peak:m/z	Relative Intensity
59.01360	1.4
61.98833	4.5
69.57465	4.0
86.55986	0.6
92.74262	0.5
96.30187	0.6
98.19917	1.2
99.92584	9.6
100.92595	0.7
115.92081	4.7
116.92854	13.4
117.92870	1.3
118.44484	0.5
123.43421	0.5
151.75632	0.5
153.91508	0.6
155.87866	0.5
220.27425	0.8
261.18481	1.0
279.23245	1.0
284.39551	0.7
347.25824	8.6
348.26202	1.0
349.27597	0.7
379.15823	8.3
379.28488	100.0
380.15863	1.4
380.28833	17.2
382.55389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1562
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.34087	0.6
53.68476	0.5
59.01381	18.7
63.19290	0.6
68.26586	0.6
68.30370	0.7
69.44276	0.6
70.17777	2.2
71.01386	35.5
71.05019	7.3
72.00906	1.0
72.01729	0.7
72.78172	0.6
72.99316	1.3
73.02946	1.7
78.95894	0.6
83.01398	1.3
85.02950	3.5
88.04041	4.1
89.02439	8.9
95.01382	1.3
96.97012	1.0
99.04523	1.8
101.02444	8.4
113.02430	3.9
116.03539	1.3
116.07150	1.7
119.03512	3.2
126.09313	0.6
128.07162	3.1
146.08237	63.0
147.08571	1.8
149.03160	0.6
149.84735	0.6
161.04517	1.2
162.01106	0.6
200.09221	1.5
218.10318	1.0
229.34065	0.7
235.21423	0.6
308.13474	6.9
362.14572	1.9
380.15616	100.0
381.16000	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03760	1.2
59.01382	100.0
60.01710	1.6
66.47890	1.2
66.82293	1.1
66.82666	1.1
71.51227	1.4
78.95909	2.8
141.66933	1.3
152.99586	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	381.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
61.00427	8.8
61.98829	100.0
62.22790	1.5
69.96908	2.5
69.97303	2.8
70.24723	1.3
71.01370	4.3
71.89836	1.1
72.00924	1.8
86.48393	1.5
89.02430	3.7
90.55117	1.2
92.05049	2.7
93.03445	1.5
98.19937	1.5
101.02439	3.7
116.05054	4.2
117.41287	1.2
119.03518	1.5
128.05119	1.6
131.03740	3.1
132.04564	7.9
134.03752	3.2
135.04532	1.8
139.88120	1.3
142.06630	3.2
143.06192	1.8
144.04555	7.8
154.06628	1.8
155.48329	1.5
156.06929	6.4
157.07703	4.1
158.04846	1.7
158.06064	3.8
159.05577	2.5
160.04045	11.6
167.06133	10.8
169.07700	5.2
170.06140	2.9
171.09239	9.2
172.04091	1.6
172.07695	1.4
173.07184	9.3
175.04060	1.4
180.06813	1.4
181.07715	56.0
182.06094	3.1
182.07941	2.8
187.08717	2.3
188.05794	1.4
197.07133	4.5
199.08765	36.5
200.09094	2.6
201.06787	2.1
213.06708	1.7
217.09787	2.4
219.06516	9.1
226.05144	4.1
243.07724	28.1
244.07880	2.8
259.26651	1.5
261.08792	97.8
262.09048	8.0
267.86710	1.3
319.12909	1.8
337.13669	1.5
363.11932	3.7
381.12979	17.0
381.17316	2.0
382.12903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03437	4.6
58.00595	0.8
59.01374	24.8
61.98827	1.4
68.99802	1.2
71.01376	5.5
71.50240	1.1
71.50616	0.8
72.99314	1.4
73.02930	1.0
83.01388	3.1
85.02940	9.4
87.00867	29.2
89.02435	5.8
97.02946	0.8
99.00864	6.7
99.08143	2.9
101.02431	2.8
104.61594	0.7
111.00870	1.2
111.13451	0.8
113.02418	1.2
115.04013	2.8
119.03525	0.7
127.04054	0.9
127.07632	2.9
129.01926	14.9
129.05554	8.9
130.02237	0.9
136.91577	0.8
154.73590	0.7
159.03008	4.9
175.07681	0.9
175.95509	0.7
177.03925	0.8
189.07684	7.3
191.05667	0.9
204.07758	1.2
209.06638	100.0
210.07019	4.5
214.02357	0.7
223.91299	0.9
251.07732	3.2
324.99106	0.7
381.13849	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	381.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03437	4.6
58.00595	0.8
59.01374	24.8
61.98827	1.4
68.99802	1.2
71.01376	5.5
71.50240	1.1
71.50616	0.8
72.99314	1.4
73.02930	1.0
83.01388	3.1
85.02940	9.4
87.00867	29.2
89.02435	5.8
97.02946	0.8
99.00864	6.7
99.08143	2.9
101.02431	2.8
104.61594	0.7
111.00870	1.2
111.13451	0.8
113.02418	1.2
115.04013	2.8
119.03525	0.7
127.04054	0.9
127.07632	2.9
129.01926	14.9
129.05554	8.9
130.02237	0.9
136.91577	0.8
154.73590	0.7
159.03008	4.9
175.07681	0.9
175.95509	0.7
177.03925	0.8
189.07684	7.3
191.05667	0.9
204.07758	1.2
209.06638	100.0
210.07019	4.5
214.02357	0.7
223.91299	0.9
251.07732	3.2
324.99106	0.7
381.13849	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42978	1.1
59.01382	2.7
59.96718	2.3
61.98822	4.6
62.17687	1.1
66.18439	1.1
74.99072	28.7
75.96223	1.9
77.66280	1.2
91.01647	2.4
91.02213	48.8
93.00140	12.1
119.62605	1.1
143.05377	2.7
159.08463	100.0
160.08678	5.1
161.06384	10.2
177.09468	1.3
180.94191	1.0
191.01968	1.2
217.53108	1.2
235.45738	1.1
261.30942	1.2
291.46786	1.2
303.11560	1.2
355.65399	1.3
365.10931	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	381.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.0
71.01385	0.8
71.23954	1.5
78.21400	0.7
90.26263	0.6
95.08553	0.7
128.45390	0.6
193.98068	0.7
231.57234	0.7
259.98077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05646	0.6
59.01398	1.6
71.50983	0.6
75.93160	0.5
76.51408	0.5
78.95897	18.9
86.82453	0.6
91.63428	0.5
95.38335	0.5
96.96960	0.7
121.43913	0.5
137.06125	0.7
138.06885	1.1
149.06082	0.7
151.07712	1.5
152.99573	26.0
153.00821	1.3
153.99904	0.7
159.91656	0.5
170.05811	4.5
192.11551	1.1
233.19173	1.6
235.20682	1.7
251.20239	2.8
277.18060	84.7
278.18390	8.6
279.19620	26.1
280.19937	2.8
295.19110	100.0
296.19452	11.1
311.08762	0.5
363.25388	14.7
364.25616	2.5
381.20422	2.0
381.26312	5.3
382.26529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
60.01726	0.7
61.98829	100.0
69.43143	5.3
71.01378	2.8
75.17581	0.7
91.99923	0.6
101.02451	1.0
110.75504	0.7
113.02416	0.7
115.00375	1.6
115.62969	0.7
123.04562	1.3
127.07658	1.0
129.10365	3.6
145.02896	1.2
147.04475	0.8
164.07166	2.4
171.11398	2.4
187.04076	0.9
233.16695	2.0
258.73340	0.7
319.16632	8.1
320.16785	1.3
372.28949	0.8
406.28906	0.7
409.25668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45624	0.8
59.01377	100.0
60.01723	1.4
69.15768	10.6
71.01386	2.0
89.02422	1.2
101.02499	1.2
113.02402	1.4
119.03497	1.2
125.93943	1.0
168.29825	0.9
275.47470	1.1
323.09555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52358	0.9
55.06155	0.9
59.01380	12.2
59.56915	1.0
61.98830	5.7
66.10246	1.1
68.99807	1.1
69.87148	3.8
71.01383	12.3
71.26678	1.0
72.99303	2.7
73.02960	1.5
78.95905	59.4
83.01418	1.8
85.02951	4.8
87.02747	1.2
89.02447	6.3
93.03468	3.2
96.96072	7.1
96.96965	100.0
98.02464	2.0
99.00854	1.5
101.02437	4.3
113.02440	4.1
113.99577	4.7
115.00355	6.8
119.03510	1.2
119.05008	1.9
121.02940	1.2
123.04546	5.2
125.47887	0.9
131.05017	2.0
134.04709	2.7
147.04462	1.4
161.04567	1.5
177.01990	1.1
177.05547	1.6
203.03497	14.9
204.03798	1.5
205.05055	6.8
277.05661	13.1
341.10895	2.2
383.10333	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	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
54.57854	0.8
57.60973	0.8
59.01373	10.8
59.78797	0.8
63.12099	0.8
69.12791	1.1
69.13191	9.1
71.01379	5.1
73.02940	2.1
83.01368	1.3
85.02935	1.3
87.00869	1.7
89.02455	4.4
92.60040	1.0
97.02950	0.9
101.02432	3.2
110.13620	0.8
113.02407	2.7
115.00378	1.0
121.02953	100.0
122.03296	3.8
147.04515	2.2
149.02380	1.6
161.04526	1.5
165.60400	0.9
169.32576	0.9
180.05751	1.2
181.06602	5.0
181.12344	1.1
191.03508	11.7
192.03838	1.3
209.11819	2.0
225.05513	7.2
226.05939	1.0
247.20665	1.7
251.07161	3.0
265.21710	2.8
291.19635	11.6
292.19968	1.1
295.06073	11.8
296.06488	1.3
309.20651	12.3
311.09265	14.0
312.09567	2.3
313.07132	20.0
314.07590	1.8
339.08676	15.6
340.08987	2.5
341.10931	4.0
379.23553	1.0
383.07700	24.8
383.11853	0.9
383.24197	8.8
383.28400	1.0
384.07901	3.2
384.24594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
59.01377	37.7
61.98816	2.4
68.99794	7.0
69.66610	9.1
71.01011	2.6
71.01380	32.6
72.99306	3.2
73.02950	3.7
75.00871	3.1
83.01373	2.1
85.02944	10.5
87.00866	6.8
89.02437	14.2
93.03454	17.6
95.01388	2.9
96.99310	10.6
98.20651	1.9
99.00871	6.7
101.02431	10.2
111.00867	6.3
113.02445	15.4
113.99591	28.4
115.00368	40.4
119.03483	4.1
119.05000	7.4
123.04516	32.9
127.00362	5.2
129.01941	5.5
130.04242	2.8
131.05022	16.0
133.02951	3.6
133.06630	2.6
145.02946	3.9
145.06615	1.9
147.04477	5.8
149.06041	2.3
157.01378	4.1
159.04475	1.8
161.02426	6.6
161.04517	5.3
163.03967	2.2
168.14618	1.9
175.02547	1.4
175.03976	4.1
177.05544	4.2
189.05612	4.6
203.03496	88.5
204.03822	6.1
205.03091	2.4
205.05040	43.6
206.05380	2.1
214.64348	1.5
219.61562	1.4
221.04584	3.2
249.86671	1.4
277.05612	100.0
278.06018	6.3
323.17236	2.2
332.45584	1.7
383.09595	9.2
384.09674	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	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
57.03428	1.2
59.01376	32.3
61.98827	1.6
66.24500	1.1
68.87794	1.2
68.99810	6.7
70.76144	1.2
70.98699	2.5
70.99046	1.5
71.01380	22.4
71.51831	1.1
72.99292	4.0
73.02941	2.9
75.00877	2.1
83.01376	3.3
85.02937	11.1
87.00867	4.2
89.02444	14.5
93.03450	17.2
95.01391	2.4
96.99339	3.2
99.00866	8.5
101.02438	9.8
106.08202	1.2
109.42191	1.2
111.00884	7.8
113.02462	11.2
113.99582	31.3
115.00376	16.4
117.03498	2.1
119.03497	5.0
119.05009	6.1
123.04527	2.7
123.69842	1.3
127.00374	3.9
129.01924	3.2
129.03474	2.4
130.04230	3.7
131.05029	19.4
135.04547	1.5
141.01935	1.5
145.02945	2.5
147.04475	6.2
157.01390	4.5
175.02580	1.4
175.03998	3.5
177.05518	3.6
189.05518	4.0
203.03494	92.1
204.03900	6.2
205.05046	42.6
206.05348	3.7
216.62083	1.3
221.04567	2.7
277.05615	100.0
278.05972	4.8
383.09872	2.8
399.42358	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	383.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
59.01378	55.7
61.98827	82.8
68.99813	6.9
71.01377	51.1
71.50095	2.7
72.01720	2.1
72.99303	3.9
73.02930	4.7
75.00871	3.1
83.01371	4.1
85.02934	13.7
87.00885	8.5
89.02445	24.4
93.03447	17.0
95.01361	4.0
96.99312	4.2
99.00880	3.9
101.02440	17.0
111.00901	4.5
113.02433	12.6
113.99580	23.5
115.00370	62.8
116.99869	1.9
117.03503	3.2
117.71769	2.1
119.03499	9.3
119.04997	11.7
123.04501	23.2
124.04908	3.0
127.00378	4.2
129.01944	2.9
130.04254	4.5
131.03566	2.6
131.05011	13.2
133.02931	3.4
133.06595	11.3
134.04710	2.3
135.04503	3.9
140.07175	100.0
141.07516	3.3
145.02974	4.1
147.04517	5.2
149.06033	2.2
150.61748	1.9
153.04251	3.8
154.08778	3.6
157.01413	2.3
161.02417	11.5
161.04547	9.3
161.08185	7.0
163.04007	5.6
175.04042	4.7
177.05556	24.8
182.08215	23.3
185.02153	3.2
189.05615	3.7
200.09306	7.1
203.01608	3.8
203.03487	65.2
204.03802	3.9
205.05019	34.2
206.05573	2.4
208.19821	2.0
221.04507	3.7
221.08182	4.7
221.74257	2.2
232.15523	2.0
257.83136	1.9
263.20352	2.0
277.05609	78.2
278.06015	3.6
302.12360	18.6
320.13348	12.1
323.09601	2.4
323.17078	9.1
341.10880	5.7
383.10040	8.3
383.24045	2.7
384.09470	2.5
384.16556	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	383.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37844	0.8
58.00565	1.1
59.01379	25.6
61.98816	3.7
68.99810	2.7
71.01377	51.8
72.01694	1.1
72.99313	1.6
73.02951	1.7
75.00858	1.8
83.01397	2.2
85.02934	5.6
87.00869	3.0
89.02449	10.8
93.03442	6.0
95.01347	1.7
96.96026	1.3
96.99297	3.6
99.00847	2.8
99.04504	3.2
101.02435	8.4
111.00875	2.6
113.02435	6.0
113.99583	8.8
115.00366	100.0
115.03987	2.1
116.00675	3.2
117.05567	2.1
119.03481	3.8
119.05012	6.2
123.04520	45.1
124.04751	1.6
129.01900	1.5
131.05034	4.9
133.02940	2.1
133.06496	1.7
143.03481	1.4
145.02925	2.3
147.04478	3.3
159.03024	1.1
159.06441	1.1
161.02478	6.3
161.04474	5.3
161.08183	16.0
162.08652	1.2
163.03966	1.7
163.44836	1.0
169.43182	1.0
177.05573	3.1
179.05542	1.6
189.05515	1.2
203.03493	28.1
204.03775	1.6
205.05067	13.6
209.37947	1.1
209.71611	1.1
221.04564	1.4
221.08203	1.3
277.05603	35.3
278.05972	1.9
323.17087	3.3
341.10986	2.1
383.09631	11.3
384.09827	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	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85652	1.4
55.01867	1.7
57.86498	1.7
59.01382	100.0
69.45192	11.7
71.01384	35.5
73.02949	6.4
85.02969	9.0
87.00888	3.0
89.02438	4.2
94.58025	1.5
96.99326	1.6
99.00925	2.2
101.02455	11.9
109.23865	1.5
113.02475	7.8
115.00359	5.6
119.03556	2.1
123.04466	1.7
142.98528	1.4
147.06645	28.0
159.03049	1.9
161.04585	10.8
172.37018	1.6
173.00911	1.6
173.08218	4.1
199.20518	1.6
201.07608	4.0
263.11322	30.5
264.11575	2.6
272.23981	1.5
291.10938	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	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29570	1.4
55.01867	6.9
57.03432	5.8
58.00590	3.7
59.01380	78.5
61.98830	25.7
68.99807	2.4
71.01382	87.3
71.49116	2.8
72.99290	6.3
73.02946	30.1
75.00851	4.4
78.95913	3.4
83.01387	21.2
85.02950	42.4
87.00878	9.2
89.02441	34.1
93.03449	5.0
95.01372	6.2
96.96951	4.7
96.99304	2.4
97.02932	3.0
99.00882	11.8
99.20742	1.5
101.02442	100.0
102.02748	3.3
105.01861	1.6
111.00851	2.2
113.01725	2.8
113.02451	39.0
113.99573	6.6
115.00365	17.8
117.05546	1.6
119.03542	9.5
119.05000	7.1
123.04539	10.1
125.02457	2.2
129.01892	3.0
131.03470	2.3
131.05040	2.8
133.02948	3.8
133.06612	6.3
134.04683	3.5
135.04497	1.9
138.05685	1.9
143.03455	7.2
145.02905	2.5
147.04547	2.2
159.02922	5.3
161.02449	5.5
161.04546	32.2
163.04012	4.2
175.03963	2.8
177.01926	11.3
177.05586	3.3
179.05597	5.6
203.03516	18.9
203.05437	2.4
205.05069	10.6
208.58063	1.4
221.04594	2.4
221.10284	64.2
222.10651	3.6
277.05624	20.7
286.00681	1.7
320.08820	1.6
323.09656	1.8
341.10733	4.6
347.85684	1.6
383.10245	6.0
383.15463	38.6
383.19183	1.5
384.16028	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	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
58.70142	0.4
59.01381	4.8
59.61449	0.4
61.98817	0.4
62.88593	0.3
63.03689	0.4
69.03462	0.5
69.50964	3.0
71.01379	2.1
73.02945	0.6
85.02973	0.4
89.02431	1.5
91.03986	2.2
95.05003	0.5
97.06577	1.4
98.19854	0.4
101.02425	0.9
113.02409	1.2
113.09718	2.2
115.07619	1.2
119.03473	0.6
122.01592	0.4
123.04486	0.5
125.06098	0.8
126.06902	0.7
139.11250	0.8
141.09206	1.5
151.11237	0.5
165.12881	3.6
167.10715	0.5
167.14394	1.8
181.12346	3.6
183.13885	1.0
193.12325	1.9
195.13896	2.5
197.11839	0.8
211.13333	3.9
213.14841	0.9
219.77872	0.4
221.15417	2.6
229.14410	0.8
240.13719	1.0
241.14333	0.8
247.20686	4.0
249.85243	0.5
263.20169	1.0
265.21713	0.5
267.01135	0.6
273.18689	3.2
281.21240	1.4
291.19644	36.5
292.20084	4.3
295.00598	0.7
309.20691	100.0
310.21051	13.2
314.17307	1.7
341.10947	0.6
383.12268	0.5
383.24408	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	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33416	0.7
57.03432	1.2
59.01376	7.9
68.67642	0.8
68.91477	0.8
71.01392	3.7
73.02929	1.4
83.01377	0.9
89.02425	2.4
91.03997	1.8
95.65445	0.8
97.02931	0.9
97.06606	0.8
101.02423	2.3
113.02430	1.0
113.09707	2.2
115.07658	1.7
119.03499	1.5
123.04529	0.8
141.09280	1.2
161.04472	1.1
165.12840	3.1
167.14374	1.6
181.12286	2.6
183.13872	1.1
193.12260	1.8
195.13927	2.4
211.13361	3.1
221.15488	2.2
240.13698	1.4
247.20663	3.7
273.18518	2.5
281.21198	1.4
291.19635	37.7
292.20026	4.7
303.62955	0.8
309.20676	100.0
310.21036	12.3
312.06995	0.8
314.17313	1.3
323.09436	0.9
341.10733	2.7
372.40717	0.8
383.10767	2.7
383.24094	5.6
383.28589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91882	0.3
57.03435	0.9
59.01383	4.7
69.50796	0.8
69.51195	2.2
71.01385	2.1
83.05007	0.5
87.00894	0.4
87.48376	0.4
89.02444	1.8
91.04003	1.6
95.04985	0.6
97.02918	0.5
97.06596	1.6
101.02438	0.7
109.86397	0.5
111.08131	0.7
113.02399	0.7
113.09732	2.3
115.07636	1.2
123.04527	0.5
125.06106	0.8
126.06845	0.4
127.07668	0.4
129.86723	0.4
141.09225	1.1
153.93642	0.4
155.31563	0.4
161.04523	0.4
165.12834	3.0
167.10721	0.9
167.14366	1.9
181.12347	2.8
183.13879	1.2
193.12331	1.4
193.15996	0.8
195.13849	2.2
196.14099	0.4
197.11731	0.4
200.44562	0.4
206.34761	0.4
211.13374	3.3
213.14857	1.1
221.15495	2.5
239.12920	0.6
240.13605	0.7
245.19183	0.4
246.91827	0.4
247.20692	4.2
248.20898	0.5
263.20007	0.6
273.18710	2.2
274.19040	0.5
281.21149	1.4
291.19656	38.8
292.20016	4.5
309.20697	100.0
310.21024	12.0
314.17252	1.2
335.39822	0.4
341.10950	0.9
383.24426	4.9
384.24878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11849	0.8
57.79939	0.9
59.01371	3.8
61.98812	1.0
69.78683	3.2
69.79388	0.9
70.13908	0.9
71.01363	1.1
89.02431	1.4
176.40172	0.9
239.23370	0.8
321.31616	62.2
322.31918	10.3
339.32770	1.6
341.10889	1.1
365.30621	16.8
366.31076	2.9
383.31665	100.0
384.32053	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	384.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32502	1.9
51.53464	2.1
53.34896	2.1
55.34399	2.2
59.01377	25.9
61.98827	100.0
66.08531	2.0
69.15259	25.3
71.01395	10.7
73.02953	3.2
74.67757	2.4
74.92025	2.0
81.58472	2.1
85.03410	2.1
89.02387	4.4
95.23229	2.4
100.35195	2.2
101.02443	3.4
106.06618	7.9
115.00345	7.0
117.01939	10.3
118.91057	2.0
119.05014	3.6
120.05306	2.6
123.04499	5.0
127.22174	2.0
127.91465	2.3
146.03212	2.4
161.04509	4.3
163.03937	2.7
164.04475	3.0
165.64632	2.2
171.04825	3.9
223.06078	4.8
235.11818	4.4
321.79504	2.4
384.09918	2.6
385.24396	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43021	2.6
59.01382	32.7
61.98824	11.8
70.68022	6.4
71.01381	16.7
85.02977	3.0
89.02431	17.4
101.02428	6.4
113.02442	6.6
119.03522	8.1
119.05028	100.0
120.05382	5.6
121.02972	3.7
130.08784	3.1
163.04007	93.7
164.04428	3.7
174.01765	3.6
188.03670	4.5
205.12370	20.5
205.97420	2.7
254.83905	2.4
282.94315	3.2
286.40964	2.3
385.11423	4.9
386.10980	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06744	0.5
59.01376	100.0
60.01727	1.0
69.03457	0.6
71.01378	4.3
73.02944	1.2
85.02940	0.9
89.02446	2.2
95.42089	0.7
98.20763	1.5
100.68847	0.6
101.02437	3.1
113.02474	1.8
115.00342	0.6
119.05053	1.3
123.04462	0.8
129.20969	0.5
138.07088	0.6
151.07629	0.6
153.09239	2.3
163.04091	0.9
165.09299	1.0
167.06219	0.6
205.12383	1.3
221.62846	0.6
223.13417	0.9
326.08060	1.3
385.18729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1864
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.57559	0.7
54.95090	0.7
55.01866	2.2
57.03445	6.0
58.00581	2.3
59.01377	100.0
62.41692	0.8
67.22324	0.7
68.15848	0.7
69.03462	0.9
69.32123	5.0
69.32533	1.3
71.01378	47.8
71.05014	1.0
72.01721	1.5
72.99312	2.4
73.02934	13.9
75.00877	1.1
82.54916	0.7
83.01393	3.2
85.02952	10.7
87.00864	4.5
89.02441	43.2
90.02802	1.2
95.01393	3.4
95.05029	0.9
98.19913	1.7
99.00872	6.5
99.04540	3.3
101.02437	29.0
101.69204	0.7
105.00374	0.8
109.02956	0.9
113.02440	18.3
113.06085	2.8
115.00359	2.6
117.01936	24.2
117.02737	1.5
119.03499	18.9
121.02933	0.8
123.04536	4.1
123.08205	1.4
123.57222	0.7
125.02394	1.0
131.03484	1.6
137.09723	2.0
143.03416	1.6
149.02446	1.3
149.04585	1.2
152.04761	1.1
153.09167	4.5
159.03004	0.8
161.04538	6.9
165.09195	29.7
166.09552	1.7
175.07628	1.1
177.12805	1.2
179.05676	3.8
179.10745	5.4
187.11272	5.6
205.12308	12.3
206.12630	1.7
208.11041	1.4
223.13370	15.7
224.13837	1.2
229.12468	0.8
267.42023	0.9
385.11078	1.1
385.18765	7.0
386.19223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98748	0.6
51.60807	0.7
55.01869	2.9
57.03449	3.7
58.00581	2.0
59.01376	62.6
60.01722	1.0
69.50475	4.4
71.01377	64.8
72.01718	1.3
72.23418	0.7
72.99311	2.3
73.02943	13.1
75.00861	0.9
83.01374	5.7
83.05040	1.3
84.02187	0.9
85.02945	21.2
86.03292	0.9
87.00863	3.0
89.02440	33.6
90.02782	0.8
95.01389	4.8
95.05016	2.6
97.02941	5.4
99.00881	5.6
99.35477	0.7
101.02435	36.0
102.02803	1.0
105.07069	1.2
108.05813	2.8
109.06629	1.7
111.04531	1.4
111.08154	0.8
113.02440	25.4
113.06071	3.1
114.02789	0.8
115.00349	0.7
119.03502	11.0
122.03731	1.7
123.08141	3.7
125.02491	1.2
125.06071	4.6
131.03513	2.5
135.08109	1.0
136.05290	3.3
137.06039	1.4
138.06859	23.4
139.07657	10.3
141.67780	0.7
143.03506	2.9
147.08138	1.2
149.04512	0.9
151.07643	20.3
151.08823	1.4
152.04796	2.2
152.08417	45.2
153.09203	100.0
154.09512	6.4
159.02989	3.4
161.04533	14.7
161.09666	1.0
162.04895	0.8
163.11275	3.8
165.09193	3.3
167.07083	1.6
179.05630	2.7
187.11275	1.2
189.09091	0.8
190.09926	1.5
205.12305	32.9
206.12662	2.7
208.56300	0.7
219.05794	0.8
223.13380	15.1
224.13687	1.5
238.54088	0.8
385.11166	1.0
385.18759	8.2
399.16772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01379	5.9
61.55225	0.7
61.98820	0.8
71.01382	3.4
85.02950	1.1
89.02435	2.2
91.03992	2.9
98.19765	1.4
101.02455	1.7
110.45472	0.8
113.02470	1.1
113.11277	0.6
121.02897	1.0
122.03744	1.6
126.03226	1.1
129.73752	0.7
161.04526	0.7
167.14325	3.4
193.15918	1.7
198.52661	0.7
205.12241	0.9
207.17404	1.7
223.20688	1.7
231.17328	0.9
233.15408	1.0
249.18561	7.7
250.18864	1.5
267.19638	100.0
268.20026	11.8
275.16507	11.2
276.16800	1.0
293.17587	75.4
294.17880	6.5
311.18640	14.0
312.18842	2.1
367.21188	6.8
371.91931	0.9
385.22308	55.8
386.22699	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01376	3.9
61.98806	1.1
71.01375	2.3
77.95244	0.8
89.02441	1.4
91.03996	1.0
92.21703	0.7
98.19881	1.6
99.08163	3.9
101.02447	1.2
113.09711	1.0
115.07679	1.8
117.66759	0.7
121.02939	2.0
125.09745	1.0
127.07627	2.7
128.08455	0.8
129.05566	8.3
131.08247	5.3
136.12149	0.8
143.03503	0.8
144.69789	0.7
151.00394	0.7
153.09247	1.2
167.14388	3.1
173.09309	1.3
183.13910	3.0
195.13893	12.9
196.35664	0.7
210.18394	0.6
213.14940	5.3
240.04349	0.9
241.05057	3.3
242.15207	1.4
249.22127	0.8
255.06633	0.7
256.07382	5.0
265.21713	1.0
293.21213	12.8
294.21545	1.9
311.22247	100.0
312.22623	12.2
315.10202	0.7
343.09698	1.8
370.08481	1.5
371.09311	2.7
385.10992	1.8
385.26120	1.5
385.30426	1.6
386.11551	6.4
386.98471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25572	0.3
59.01376	2.1
60.37358	0.3
71.01373	0.5
71.64230	0.3
85.97736	0.3
89.02457	0.6
91.04002	1.1
94.74072	0.3
97.06593	0.5
101.02406	0.4
109.25106	0.3
113.09717	0.9
115.07644	1.2
121.02976	2.0
123.25777	0.3
127.07655	0.7
128.08449	0.9
145.02905	0.4
167.14404	2.7
183.13872	2.4
195.13899	10.5
196.14284	0.7
197.06044	0.9
205.12399	0.4
211.13391	1.0
213.14941	1.2
225.05565	0.5
241.14354	0.4
242.15178	1.4
249.22273	1.0
255.77147	0.3
265.21655	0.9
267.23190	0.7
283.22720	0.6
293.21222	9.4
294.21381	1.6
297.09235	0.6
301.08856	0.3
311.22263	100.0
312.22647	13.1
313.07086	0.4
315.10175	0.8
325.08582	1.0
341.08099	0.5
342.08963	0.9
343.09818	5.8
353.07999	0.4
355.09763	0.3
370.08426	1.2
371.09177	7.8
376.45392	0.3
385.06012	0.4
385.10635	2.5
385.25903	1.3
386.11584	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	386.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23071	0.8
59.01381	4.1
61.32389	0.8
61.98827	100.0
71.01376	2.9
73.50412	0.7
85.02951	1.1
87.00849	1.0
89.02421	1.3
91.18428	0.8
91.19074	0.8
98.20603	1.7
99.04440	0.8
101.02449	1.7
113.02437	1.2
119.03482	0.9
119.05013	1.6
120.05345	2.2
144.07922	0.8
161.08167	4.8
163.04039	1.8
164.04326	2.1
177.71773	0.7
177.76027	0.8
206.12599	1.2
241.11743	0.9
386.25705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.6
57.30004	2.6
59.01376	100.0
60.01720	3.7
61.94978	2.7
61.98828	59.8
69.23554	24.4
71.01378	33.3
71.50445	2.7
73.02951	6.4
74.02471	3.6
75.00873	3.5
80.05084	3.0
83.01363	3.1
85.02960	8.9
89.02448	20.8
98.19933	5.2
99.00860	3.5
101.02441	16.7
104.03578	2.8
108.04546	10.7
113.02437	10.7
115.02229	3.2
117.01904	6.6
118.03019	4.8
119.03497	9.6
121.02937	3.8
123.04547	9.8
135.02989	4.7
143.03563	3.1
144.04567	3.5
161.04553	8.5
162.05606	6.5
164.03523	7.2
165.05234	4.2
177.01923	4.2
188.03499	6.2
192.04289	5.6
207.06604	13.8
221.06583	3.2
223.06036	4.9
224.06339	8.7
274.06070	2.7
335.59131	2.9
343.20123	2.9
386.10773	13.2
387.16962	2.7
389.06210	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07403	1.7
59.01377	53.5
61.98828	100.0
64.03331	1.6
64.59109	1.6
70.51421	5.2
71.01376	3.1
71.02124	1.8
85.02956	2.0
89.02414	1.8
101.02428	2.9
123.04512	3.2
137.56764	1.9
161.04509	4.9
172.22246	1.7
221.06566	5.1
387.08475	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	387.057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64261	0.7
58.88573	0.7
59.01384	30.8
60.99307	12.8
61.98840	4.4
68.02934	0.8
70.32896	1.4
70.33288	1.7
71.01379	4.3
73.02923	0.8
80.22653	0.7
85.02953	1.3
87.00878	2.2
88.98811	100.0
89.02457	3.2
89.99129	1.3
98.37823	0.8
101.02451	2.7
105.77512	0.7
113.02448	1.5
115.00381	3.0
119.03502	1.1
123.04526	2.2
128.03522	3.4
130.08800	1.1
161.04523	2.2
165.05576	0.9
175.02473	9.4
178.76404	0.7
181.05060	0.9
196.05890	0.8
217.77525	0.8
221.06639	2.1
225.04199	1.1
241.11896	1.1
258.14566	0.8
387.13297	1.7
387.19000	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	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.63433	0.5
57.03449	1.0
58.00579	1.1
59.01375	43.1
61.98827	7.5
62.87252	0.6
69.20470	1.7
69.20877	5.4
71.01379	28.9
72.99303	1.5
73.02930	2.2
74.02458	1.3
80.39039	0.5
83.01373	1.3
84.37374	0.7
85.02942	6.7
87.00868	1.8
89.02441	27.9
95.01377	2.5
95.05006	1.2
96.96014	1.6
101.02437	17.9
102.02768	0.6
104.03496	0.7
113.01707	1.2
113.02446	12.5
114.82030	0.5
119.03489	11.1
121.02926	2.2
123.04491	1.2
129.10318	2.5
130.08739	0.7
131.03444	0.9
139.00407	1.1
139.07739	0.9
142.94458	0.6
143.03525	1.3
149.02425	4.6
160.09300	0.7
161.04546	2.0
162.92255	0.7
163.11241	1.4
163.63676	0.6
177.01920	34.3
178.02382	1.5
179.05515	1.0
191.03540	0.9
192.04269	49.6
193.04700	3.9
207.06602	100.0
208.06938	7.7
225.09206	1.9
225.14951	0.7
357.21323	2.1
387.12375	4.5
387.17026	1.3
387.22046	2.6
396.24051	0.7
409.72733	0.6
411.54178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79390	1.1
53.80480	1.2
54.69079	1.2
57.03448	2.4
59.01377	100.0
69.28529	10.9
71.01382	20.4
72.99314	1.3
73.02945	4.0
83.01369	3.1
85.02946	7.3
87.00858	1.7
89.02444	8.1
95.01352	1.4
97.04975	1.1
98.19917	2.0
101.02451	12.1
112.04162	1.2
113.02443	6.5
115.00320	2.4
115.05407	1.0
119.03497	4.2
119.05017	2.9
122.06133	2.0
123.00925	2.4
123.04519	8.1
128.45494	1.5
131.05072	1.7
136.13730	1.4
137.02406	1.6
138.03220	7.9
143.98734	1.2
145.02878	1.7
147.04474	3.3
147.22334	1.4
148.05260	4.8
149.06044	4.1
149.24956	1.4
152.07150	3.6
153.05550	12.1
158.03694	1.9
159.03143	1.7
159.04448	6.8
160.05283	14.4
161.02463	1.2
161.04536	9.6
161.05783	2.4
162.03226	2.3
163.03963	2.2
165.01889	4.9
174.03201	4.4
175.02448	3.7
175.07614	3.0
176.04747	2.9
177.05556	51.3
178.06285	15.7
179.03481	2.9
180.04285	3.3
181.12300	1.6
187.04016	5.4
188.04802	8.4
191.07169	14.9
192.04289	2.1
192.07907	6.2
194.05814	2.3
195.06572	2.5
203.07130	45.3
204.07495	3.4
206.05801	12.7
210.05327	5.0
213.11459	1.6
219.06613	1.4
220.07384	3.1
221.08237	49.5
222.08566	3.0
224.06892	14.0
225.11295	3.1
225.14999	1.5
248.83768	1.4
295.06039	1.8
310.08389	1.7
311.09393	2.2
321.07648	1.8
339.08633	3.4
343.11792	3.5
354.11389	2.2
357.13412	2.6
369.13452	10.4
370.13675	2.1
387.10269	1.7
387.14697	17.0
387.20111	3.8
387.24326	1.5
388.14752	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03446	0.8
59.01375	100.0
60.01706	1.2
60.24983	0.7
61.98822	4.1
69.68559	3.6
70.48421	0.8
71.01373	19.4
72.13766	0.7
72.99312	1.0
73.02944	3.9
83.01392	2.5
85.02949	6.5
87.00875	1.0
89.02437	12.1
95.01378	1.3
96.96021	3.0
99.00894	2.1
99.04530	1.5
101.02439	12.3
113.02434	8.2
119.03493	4.5
123.04562	0.8
127.36090	0.9
129.10406	1.0
130.08768	1.3
133.38525	0.7
139.07680	2.6
143.03513	1.5
159.03085	0.9
161.04541	8.9
163.11343	1.0
165.09178	4.7
178.16737	0.7
179.05623	1.2
185.16502	0.8
189.12816	1.6
207.06844	0.9
207.13879	1.2
327.14703	2.1
357.21558	1.1
387.12808	4.3
387.21420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
54.76047	1.1
55.01877	6.5
56.44786	1.0
57.03442	4.7
58.00587	3.0
59.01377	98.1
60.01713	1.2
66.33939	1.0
69.42782	8.6
71.01380	100.0
72.01714	1.9
72.99313	2.7
73.02944	26.7
75.00880	2.1
78.97710	1.2
83.01389	11.8
84.02164	1.5
85.02943	41.4
86.00085	2.6
87.00875	14.8
89.02435	30.9
90.82990	1.0
95.01350	7.3
97.02956	3.2
99.00885	13.2
101.02438	66.6
102.02776	2.1
102.77560	1.2
105.45930	1.3
108.04588	1.5
111.00848	1.1
113.02447	44.7
119.03490	10.7
119.05009	1.2
123.04517	3.5
125.02441	2.0
129.68027	1.0
136.01627	2.2
143.03491	5.5
151.03978	4.0
159.02968	8.4
160.04059	3.5
161.04547	53.7
162.04799	2.0
163.11276	4.2
166.02719	2.2
176.76622	1.1
179.03496	2.7
179.05544	2.3
181.05081	2.1
181.12390	2.3
188.03542	2.9
207.13913	1.9
218.04541	3.4
221.06662	2.9
225.15083	2.5
252.09079	1.5
267.11371	4.9
269.09204	1.8
281.05569	3.2
283.10864	1.7
296.07651	1.3
311.10385	26.1
312.10568	4.2
319.50751	1.2
325.16525	4.7
337.08270	3.2
343.13602	1.3
343.17648	5.0
355.09317	15.4
372.11905	1.4
387.11771	7.2
387.20221	31.3
388.20584	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	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93235	0.8
55.01879	3.4
57.03440	3.1
58.00583	3.5
59.01377	100.0
60.01723	1.4
67.85532	0.8
69.49802	2.2
69.50205	3.4
71.01377	73.0
72.01733	1.5
72.99320	2.7
73.02945	10.8
75.00851	0.8
83.01361	4.7
85.02946	18.8
87.00875	2.9
89.02439	73.9
90.02818	1.3
95.01380	4.5
97.02950	1.7
99.00869	2.9
101.02438	49.0
102.02788	1.2
113.02440	30.9
114.02756	1.2
119.03488	32.0
120.03861	1.1
125.02419	1.1
131.03500	3.6
137.09677	1.0
143.03477	6.0
149.04547	3.2
150.37997	0.7
152.08441	3.5
159.02980	2.8
161.04549	16.8
162.04904	1.3
173.09715	1.2
179.05609	6.8
184.96814	0.7
189.12825	10.8
207.13925	4.8
216.18091	0.8
225.14977	6.2
261.87033	0.8
264.38852	0.8
341.76208	0.8
366.08264	0.8
387.20203	26.7
388.20609	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05625	0.4
55.01872	6.5
57.03445	5.6
58.00597	2.4
59.01375	63.7
60.01706	0.5
67.01884	0.5
69.03446	0.8
69.18761	4.3
71.01376	100.0
72.01719	1.7
72.99313	2.5
73.02940	29.1
74.03281	0.8
75.00862	1.5
83.01382	11.6
85.02945	41.4
86.00095	0.5
86.03281	0.6
87.00889	4.6
89.02438	37.2
95.01379	8.0
95.01949	0.7
97.02975	1.4
99.00870	11.1
99.04520	0.7
101.02437	73.3
102.02775	1.5
111.00885	0.6
113.02443	44.9
113.06049	0.7
114.02770	1.3
119.03493	16.5
123.04496	0.7
125.02452	2.0
129.01932	2.1
130.02238	0.4
131.03493	1.6
143.03510	4.9
149.04533	0.9
151.11305	1.1
159.02974	9.1
160.03369	0.6
161.04543	41.4
162.04898	1.6
163.11270	0.9
177.12830	0.6
179.05585	2.0
181.12312	2.2
189.12842	1.4
205.03499	0.6
207.13892	4.1
225.14975	5.8
226.15338	0.7
329.37622	0.4
387.20227	21.5
388.20657	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34808	0.6
55.01882	7.7
57.03450	5.8
57.58195	0.5
58.00587	2.6
59.01381	66.4
60.01706	0.9
69.03452	1.4
69.74707	3.6
71.01383	100.0
72.01698	1.2
72.99306	3.8
73.02946	27.5
74.63778	0.6
75.00866	1.8
83.01389	12.5
85.02953	45.6
86.00092	0.8
86.03313	1.0
87.00877	4.4
89.02449	30.2
95.01385	7.6
97.02971	2.0
98.19930	0.7
99.00880	10.6
101.02444	66.7
102.02789	2.2
113.02452	39.2
113.06107	0.8
114.02817	1.1
119.03504	14.7
125.02451	1.8
129.01956	0.9
131.03517	1.2
143.03473	4.3
149.04568	1.0
151.11256	0.9
159.02968	8.1
161.04556	35.1
162.04901	1.5
163.11237	0.9
177.12868	0.9
179.05620	1.9
181.12404	1.5
189.12869	1.1
207.13925	4.2
225.15025	3.8
226.15292	1.0
387.20236	17.5
388.20703	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	387.2021
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01878	6.1
57.03442	6.4
58.00587	1.6
59.01375	55.3
60.01730	0.5
68.99800	0.8
69.03445	1.0
69.72278	2.0
71.01377	100.0
72.01707	1.4
72.99305	3.8
73.02940	28.1
75.00861	2.0
77.26160	0.5
81.03456	0.6
83.01383	11.7
83.05045	0.4
84.02151	0.5
85.02945	42.8
86.00109	0.5
86.03302	0.9
87.00859	4.8
89.02439	27.8
90.02894	0.3
95.01381	7.2
95.88181	0.4
97.02976	2.0
99.00874	11.1
99.04526	0.8
101.02435	70.1
102.02775	1.1
111.00951	0.4
113.02441	39.4
114.02786	1.4
115.04007	0.4
119.03500	11.3
121.03004	0.5
123.04625	0.4
125.02444	2.1
129.01939	1.6
131.03502	1.6
134.03703	0.6
143.03481	5.0
149.04510	0.9
151.11259	0.6
159.02988	9.6
160.03355	0.6
161.04544	45.0
162.04897	1.3
163.04018	0.8
163.11292	0.8
165.09305	0.5
166.05182	0.4
173.09726	0.7
179.05621	1.7
181.12346	1.0
183.10257	0.8
189.12825	3.8
193.05090	0.5
195.13873	0.4
207.13899	4.9
207.64346	0.4
208.14313	0.5
225.14966	5.6
295.06284	0.6
343.05237	0.4
357.21136	0.5
369.19037	0.7
380.21475	0.4
387.10867	2.5
387.20227	30.8
388.20480	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86228	5.0
59.01377	100.0
71.01340	7.2
71.05637	11.0
78.27785	4.2
83.01354	4.9
89.02431	8.6
94.40948	4.5
96.16105	4.4
101.02437	6.0
104.99519	5.8
123.04469	9.3
127.91741	4.9
131.13628	4.2
161.04530	8.0
189.91306	4.8
221.06464	6.1
263.71167	6.1
372.18402	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	388.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74514	0.8
59.01377	26.8
60.01702	1.5
61.98827	100.0
63.86115	0.6
70.77261	2.1
71.01385	8.5
73.02946	1.8
83.01374	1.1
85.02948	1.9
86.42458	0.7
87.00888	1.6
89.02439	7.2
90.02793	0.7
95.01416	0.7
96.96013	1.4
99.00891	0.9
101.02455	4.6
102.02779	0.8
113.02430	3.1
115.00433	1.0
119.03517	2.1
129.10342	0.8
130.08765	0.9
133.01401	1.0
143.04643	0.7
146.58595	0.7
149.02403	0.8
150.03174	0.7
161.04613	1.5
165.09236	2.3
177.03316	0.9
194.63454	0.8
229.08730	1.5
232.26915	0.7
273.05188	0.7
273.07703	3.8
281.76804	0.8
329.16470	0.9
388.13602	1.6
389.13959	1.2
389.18579	1.2
394.94394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02275	1.2
59.01375	17.0
61.98830	100.0
69.38253	10.3
71.01373	3.6
81.32641	1.2
85.02944	1.3
89.02434	1.8
101.02448	2.0
115.75844	1.3
128.03561	3.3
141.86586	1.2
211.05725	1.4
225.83788	1.3
227.09131	1.3
241.11794	2.1
282.11459	1.2
388.16678	2.0
389.09045	1.6
404.67175	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.5
60.01704	1.9
61.98828	100.0
62.42916	1.3
66.58553	1.5
66.94138	1.4
70.80553	4.0
71.01371	2.4
85.02959	1.5
89.02436	2.3
101.02393	2.0
133.02931	4.4
134.03728	3.1
161.04594	3.1
171.07045	1.5
177.01892	2.3
226.11690	2.0
235.78709	1.5
308.53265	1.5
317.08478	1.6
374.11307	2.7
389.13947	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04260	1.8
59.01375	30.6
60.01715	2.8
61.98829	100.0
63.93814	2.1
68.36061	1.9
71.01376	3.9
78.14496	2.6
87.91155	2.2
230.89857	2.2
285.87820	2.1
292.31326	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	389.1239
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
53.11433	0.3
59.01367	1.6
70.85242	0.4
70.85603	1.2
71.01371	0.5
104.28111	0.4
155.08626	0.4
159.08107	0.7
168.05777	0.8
169.06567	1.4
181.06587	3.0
182.07341	3.6
183.08134	25.3
184.08487	1.7
185.06071	4.4
193.05093	0.5
197.06013	3.3
198.06857	10.1
199.07301	1.2
209.06073	0.7
225.05591	4.9
226.06340	52.4
226.51118	0.4
227.07106	100.0
228.07466	8.6
251.07048	2.6
260.56522	0.4
269.08173	4.9
333.07513	0.5
389.12390	76.4
390.12695	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	389.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06903	1.8
53.38175	1.6
53.58885	1.5
59.01386	17.3
59.35789	1.5
61.98828	17.1
67.01887	1.7
67.96152	1.6
69.97475	1.5
70.14256	3.1
70.14671	5.4
70.79720	1.5
71.01374	6.5
85.02984	3.6
86.81570	1.6
89.02421	2.8
90.41033	1.6
93.03443	6.1
98.19897	2.0
101.02449	3.3
103.54438	1.5
108.02084	2.0
113.02448	4.0
117.03455	1.7
121.02957	9.2
122.03747	12.5
133.03040	4.0
134.03746	63.0
135.04048	2.8
136.01627	1.6
137.02446	9.4
139.03989	1.9
149.02431	25.0
149.06061	16.5
150.03220	100.0
151.03606	5.1
161.04594	1.6
164.04817	3.4
164.58995	1.6
165.05557	98.3
166.05882	6.1
167.10725	1.6
178.02705	34.4
180.04291	5.2
188.42802	1.7
193.05048	90.2
194.05380	6.5
195.06619	42.7
196.06993	2.2
229.08682	4.3
273.07535	2.0
282.08896	3.1
341.10193	11.1
373.64594	2.1
389.21637	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	389.1451
Annotation	Reptoside
Peak:m/z	Relative Intensity
50.91950	1.4
55.01870	2.0
57.03426	1.9
58.00564	1.4
59.01376	64.1
60.01703	1.6
61.98824	15.0
62.43561	1.6
63.17758	1.5
69.93351	7.8
71.01379	41.2
72.99308	5.2
73.02942	11.3
75.00867	86.7
76.01231	1.5
83.01393	7.4
85.02953	14.7
87.00863	6.0
89.02435	23.1
99.00860	4.3
99.92588	1.7
101.01803	2.1
101.02435	29.4
109.02928	2.4
111.00916	2.1
113.02441	17.3
115.92036	1.6
116.07153	7.9
119.03502	9.7
127.05099	3.1
129.10237	2.1
131.03441	1.8
137.01485	1.7
137.02444	21.2
152.04753	10.5
153.05472	2.0
158.69385	1.4
159.02948	1.7
160.44653	1.4
161.04498	5.3
164.07025	1.4
167.07101	4.6
179.03494	3.0
184.03729	3.5
193.04973	2.5
194.05812	1.8
197.04362	1.6
209.08092	6.2
212.06859	13.9
226.02643	1.9
227.03519	3.1
227.09227	46.0
228.09499	4.9
237.06133	100.0
238.06358	3.9
250.87614	1.7
254.09798	2.1
272.10703	2.4
272.91934	1.6
389.08902	4.6
389.14331	60.5
389.18567	6.2
390.14777	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01868	2.4
57.03441	5.8
58.00592	3.0
59.01379	100.0
69.53881	5.2
69.54296	3.3
71.01382	52.2
72.99290	3.7
73.02955	7.2
74.02487	1.8
79.27728	1.3
83.01370	2.7
85.02949	13.5
87.00897	3.0
89.02441	49.7
90.02778	1.6
95.01368	3.8
99.00878	2.3
99.04549	1.4
101.02434	33.9
102.02805	1.8
109.06593	32.0
110.06948	1.9
111.00916	1.5
113.02435	22.5
114.05614	4.1
117.76530	1.5
119.03500	23.3
121.02934	4.7
121.03831	1.2
127.05159	2.3
128.03491	2.4
129.10237	1.5
130.08727	9.3
131.03502	2.9
133.03017	1.8
134.03717	10.2
143.03552	3.2
143.04573	2.1
149.02443	7.0
149.06052	3.2
149.09744	1.9
150.03206	14.2
151.03862	1.5
159.03046	1.6
161.04565	7.9
164.04805	1.5
165.05547	12.0
165.12836	2.4
173.03966	1.3
177.03374	4.7
178.02705	4.2
179.05659	6.3
191.10779	3.0
193.05028	14.9
195.06534	3.7
209.11812	60.8
210.12173	4.9
225.05470	2.1
227.07156	2.9
241.06389	2.4
282.08878	1.5
283.07526	1.6
283.10809	2.6
313.08282	3.8
341.10300	4.4
342.10880	2.2
372.15790	3.2
389.13177	2.0
389.18085	39.0
390.17899	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	389.218
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.98455	0.6
55.01877	8.8
57.03442	5.3
58.00579	2.1
59.01378	59.9
60.01724	1.0
69.03450	0.8
69.43703	3.7
71.01379	100.0
72.01711	2.5
72.99299	3.9
73.02943	32.3
73.57941	0.5
75.00864	1.2
81.03426	1.1
83.01383	16.7
84.02190	0.9
84.65990	0.6
85.02945	46.0
86.03306	1.3
87.00865	3.8
89.02438	21.8
90.02771	0.7
95.01388	7.2
97.02974	2.2
99.00878	12.8
99.27293	0.6
101.02439	82.8
102.02792	2.1
113.02446	41.3
114.02786	1.4
115.03999	0.6
119.03503	9.7
125.02433	2.3
125.03642	0.7
127.07655	0.6
129.01936	1.8
131.03500	1.3
131.08667	0.8
139.00299	0.7
143.03482	4.6
147.11842	3.7
150.03178	0.6
153.05573	1.2
155.75504	0.5
159.02985	12.0
161.04547	50.5
162.04929	2.2
165.05487	1.0
165.12807	0.6
179.05573	2.8
193.05179	0.9
197.15387	0.6
205.03571	0.8
209.11841	1.4
227.16501	3.0
389.21823	48.4
390.22144	6.5
412.67703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03448	1.3
58.00595	3.8
59.01376	100.0
60.01724	1.0
69.42715	1.0
69.43124	3.0
71.01379	54.8
71.05025	0.5
72.01730	1.4
72.99306	3.3
73.02960	2.2
76.67725	0.5
83.01369	3.0
84.02158	0.7
85.02943	11.8
87.00873	2.4
89.02439	71.8
90.02799	1.0
95.01384	4.0
98.19902	1.2
99.00886	1.2
101.02434	35.6
102.02782	0.6
109.94005	0.5
113.02445	24.1
114.02779	1.0
119.03492	32.2
120.03862	0.7
123.08157	1.2
125.02481	1.1
129.09224	0.8
131.03481	3.2
143.03481	4.8
149.04518	2.9
155.10777	0.8
161.04506	7.7
169.08899	0.6
179.05580	8.3
197.15501	0.8
209.11880	1.7
209.15424	0.6
227.13043	0.7
227.16502	11.0
228.16800	1.4
360.16025	0.9
389.21805	41.8
390.22144	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	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	62.8
66.25243	13.4
67.33992	11.7
69.25898	100.0
71.01368	15.2
87.70213	12.9
90.29943	12.9
98.19843	27.7
117.70656	13.2
193.31354	14.0
194.01086	12.2
214.40788	13.3
259.86270	16.1
277.21725	19.1
325.80438	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47704	7.4
55.32317	7.2
56.49500	6.9
59.01376	100.0
59.78026	8.3
60.21803	7.8
70.81637	17.8
83.27790	7.3
92.18751	8.0
100.92166	7.5
123.68359	8.2
205.86777	7.6
221.43677	8.3
324.02847	8.1
341.81796	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24286	5.7
59.01374	100.0
59.35170	5.4
70.09061	10.5
70.09455	12.5
98.20607	7.2
99.77925	6.1
153.17625	6.0
352.58768	6.5
374.03976	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.16784	6.0
71.27303	10.1
99.55795	5.9
99.94561	6.4
100.57639	5.4
103.51581	5.6
165.53029	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74585	2.9
55.99764	3.6
56.63567	3.7
59.01382	23.4
61.98833	100.0
64.83583	2.9
69.77824	17.9
71.01385	6.7
77.12062	3.3
79.95757	3.6
80.75049	2.9
82.12042	3.1
96.95986	17.2
98.20652	3.8
101.02390	5.3
136.01625	3.9
137.02376	5.0
145.74997	3.3
177.01921	4.1
211.13295	11.8
213.05551	7.1
241.04922	8.2
277.61331	3.7
359.09213	6.0
376.09384	7.2
390.16507	5.8
391.07767	9.7
391.11777	13.9
391.16452	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	391.0823
Annotation	8-C-p-Hydroxybenzylkaempferol
Peak:m/z	Relative Intensity
54.10828	0.3
59.01375	0.5
61.98803	0.4
62.31926	0.3
93.03455	7.2
98.19907	1.0
105.87279	0.3
108.02184	0.3
109.02966	0.4
111.30690	0.3
114.21902	0.3
117.03460	0.5
119.05024	0.7
121.02942	0.7
123.04531	0.9
133.02937	0.9
135.00847	0.6
135.04498	0.4
136.01646	0.5
143.05026	0.5
145.02908	0.6
147.04497	0.3
157.06624	0.6
157.72037	0.3
163.00342	2.6
169.06540	0.7
171.04507	1.3
173.02342	0.4
176.01149	0.8
177.01897	0.6
183.04570	0.6
185.06015	0.8
187.04025	0.3
195.04535	0.3
197.06044	0.7
199.04016	1.4
201.05444	0.4
204.00620	0.4
211.03981	1.0
213.05640	1.6
215.03479	0.3
215.07184	0.4
219.02989	0.6
225.05565	0.7
227.03488	6.1
228.04065	0.5
239.03468	0.6
240.04358	0.6
241.05095	2.1
252.04343	0.4
253.04951	0.7
254.74805	0.3
255.02942	3.2
256.03458	0.9
269.04593	1.7
270.05182	0.3
284.03232	0.6
297.04028	4.0
298.04373	0.7
303.06555	0.3
333.07574	0.5
357.07437	0.4
391.08206	100.0
392.08557	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	391.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.5
61.98822	4.3
65.23830	1.5
71.01372	24.8
83.50349	1.7
92.81876	1.3
93.03433	3.1
98.20759	3.7
105.03462	4.8
111.00846	2.8
115.00372	24.8
121.02945	5.8
124.01661	3.8
128.87624	1.7
133.01492	11.0
133.02956	52.7
134.03746	54.8
135.04108	2.3
137.02438	45.3
139.04013	15.7
149.02463	3.4
150.03197	3.6
161.02409	6.9
161.06087	8.1
162.03143	2.5
162.06865	2.7
165.01974	2.0
177.01930	41.3
177.05417	1.5
178.02707	100.0
179.03114	3.6
185.29124	1.6
188.04594	1.5
194.02188	2.4
203.10690	1.8
205.05002	2.1
213.09096	2.6
215.14795	1.5
231.10239	8.5
250.04732	1.8
275.09216	23.8
276.09500	2.7
288.55106	1.5
294.03799	5.0
333.07596	2.1
343.09854	1.9
360.06287	4.7
361.07056	4.2
375.08746	12.6
376.09296	5.0
391.11917	25.4
392.12112	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	391.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.2
61.98816	1.6
63.70033	1.0
69.91748	1.0
71.01378	21.8
72.99305	4.0
87.00846	2.3
89.02436	3.2
100.26330	1.0
115.00367	59.5
133.01425	100.0
134.01784	3.3
159.04463	1.2
161.04527	1.1
172.05284	2.3
173.06090	2.2
174.06870	2.1
176.04753	1.2
186.36844	1.2
187.03987	1.9
187.07634	28.6
188.08032	1.5
201.05501	2.7
202.06303	7.3
213.09200	4.7
215.07051	4.2
231.10234	20.6
232.10518	1.2
257.08145	2.9
275.09235	17.2
276.09589	2.5
391.09958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.4
61.98833	1.9
69.22142	8.1
69.22560	5.3
71.01381	31.4
72.99308	3.5
87.00928	2.0
89.02450	4.0
101.02454	3.3
101.50217	1.4
105.03483	1.7
113.98815	1.4
115.00376	55.9
133.01430	100.0
133.03011	5.6
134.01784	2.6
134.03777	8.3
135.04573	1.7
159.04509	2.5
169.10172	1.6
172.05312	8.8
173.05800	1.8
177.01935	5.7
178.02695	3.5
184.05313	2.6
187.07695	2.7
198.06807	2.6
213.09200	54.1
214.09560	4.6
220.86093	1.6
229.08527	2.1
231.10242	39.5
232.10587	4.4
240.71082	1.3
257.08234	22.6
275.09232	15.3
320.08554	1.5
375.05289	1.5
391.19455	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	391.1036
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
52.77378	0.5
55.01863	0.6
57.03436	0.7
59.01117	0.6
59.01384	8.2
61.98817	1.4
64.62897	0.4
66.47478	0.4
67.42049	0.4
69.26650	2.4
69.27081	1.4
71.01381	6.2
73.02942	1.5
78.95901	0.6
80.51813	0.5
83.01389	0.8
85.02937	2.0
89.02448	3.7
96.96945	1.3
97.06590	0.5
99.00905	0.9
101.02454	3.8
111.54216	0.4
113.02467	2.6
115.33981	0.4
115.75677	0.5
119.03483	1.2
123.04511	0.4
123.08147	1.7
143.05023	3.4
145.02895	1.0
151.07628	1.0
155.05009	0.8
157.06531	1.3
158.03728	1.7
159.04507	10.9
160.04881	0.8
161.02467	0.5
161.04550	2.8
161.05864	0.8
167.10748	0.4
171.04500	1.1
173.02470	0.9
173.06126	0.7
175.04004	1.6
176.04741	1.0
181.02934	0.5
182.03691	1.1
183.04512	59.2
184.05284	74.3
185.02419	1.0
185.05969	12.4
186.03352	0.7
186.06393	0.8
187.04013	0.6
199.04048	3.2
200.04701	0.8
201.01926	16.4
201.05576	7.9
202.02713	22.6
202.05666	0.9
203.03375	3.3
211.03995	2.4
211.09685	2.3
212.04724	0.8
213.01987	0.7
214.02718	16.0
215.03090	1.5
227.03497	39.1
227.07085	1.2
228.04234	20.4
229.05042	100.0
229.32814	0.5
230.05402	8.4
245.04539	0.8
271.05942	0.8
347.11337	2.8
348.11627	0.6
365.08774	5.6
366.09204	0.6
391.10397	25.7
391.15942	2.0
392.10837	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	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
57.03248	1.2
57.03455	13.8
57.25531	1.5
58.00591	2.6
59.01381	65.0
60.01688	1.5
61.98832	2.2
67.01888	2.0
69.03450	3.0
71.01384	44.8
71.49671	1.7
72.99316	2.1
73.02944	4.5
75.00889	1.4
80.31740	1.2
83.01382	3.0
84.04519	1.5
85.02944	12.3
87.00879	2.9
89.02448	31.6
95.01363	2.7
95.05019	4.6
97.02934	2.3
97.06592	21.8
99.00891	1.3
101.02446	25.1
102.05634	2.7
107.05028	1.7
109.06588	6.1
111.04456	2.6
113.02460	15.0
119.03521	12.6
121.06599	2.9
123.08164	59.3
124.08484	2.3
128.03519	4.8
131.03563	1.4
143.03490	2.2
149.09723	9.5
161.04573	3.4
167.10780	12.1
179.05608	2.6
183.04469	1.9
183.10196	1.8
193.08684	5.9
211.09758	100.0
212.10089	6.3
229.01411	3.4
229.05023	3.5
237.30450	1.5
263.14014	2.3
285.17502	1.8
351.42676	1.6
373.14850	4.2
391.11044	3.0
391.16135	28.4
392.17630	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01379	100.0
60.01719	1.0
71.01384	10.6
71.05016	1.5
71.50269	1.4
72.99284	0.7
73.02946	31.0
81.03465	2.3
83.01395	2.6
85.02962	4.3
85.06613	0.8
87.00880	1.8
87.04520	1.6
89.02438	9.6
95.01375	1.3
99.00885	1.9
101.02438	9.1
113.02423	4.8
116.07157	1.8
119.03477	4.8
123.04498	6.6
124.04802	0.8
130.08769	1.4
131.03494	0.8
133.01364	1.1
137.09709	1.7
143.03474	0.9
156.95346	0.9
157.12386	0.9
159.02997	0.9
159.04431	1.0
161.04514	2.6
173.11859	2.8
174.03250	0.8
179.05670	1.7
187.07651	1.7
188.04852	1.4
190.06261	0.7
203.07080	1.6
215.07161	1.1
217.08736	1.5
229.08659	15.0
230.09053	1.4
231.10127	0.9
233.08179	3.8
260.10278	1.3
271.16608	1.7
275.09256	2.8
317.16013	1.2
331.17389	0.9
373.14548	1.3
391.10303	2.6
391.19675	30.4
391.26944	6.4
392.19995	4.2
392.27521	1.3
395.86844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
58.00574	1.8
59.01377	42.5
61.98827	5.1
69.03451	3.0
69.30444	18.2
71.01362	2.2
90.47463	2.1
93.03471	2.5
96.96013	2.4
111.08164	39.7
116.92855	2.6
151.11261	4.0
165.12813	7.0
169.12285	10.4
197.11821	100.0
198.12141	7.3
199.13335	2.7
211.13383	8.5
215.10515	5.7
219.10004	97.7
220.10330	5.4
233.11626	45.4
234.12001	2.5
240.04266	2.6
249.13530	3.3
251.11371	2.8
263.20172	6.1
265.17804	2.3
287.16486	3.6
291.19690	17.0
292.20010	3.1
293.12384	4.1
295.91946	2.3
309.17227	4.0
309.20709	82.4
310.20871	9.5
313.17841	2.2
331.18823	30.4
332.19305	4.6
375.17685	2.5
377.08560	2.4
391.11658	3.8
391.16043	3.2
391.20767	8.0
392.11407	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	391.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26765	0.6
59.01381	6.3
67.17465	0.6
70.28506	1.7
71.01033	0.6
71.01426	0.7
75.98302	0.6
78.95918	3.4
96.96983	1.1
106.50403	0.6
111.27895	0.6
152.99591	20.6
198.07140	0.6
220.48491	0.7
241.67337	0.5
255.23303	100.0
256.23679	12.0
281.04407	0.6
291.86996	0.6
391.22427	8.4
392.23196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40028	1.1
55.39353	1.0
59.01378	12.7
61.98824	1.4
64.59158	1.0
71.01360	1.0
71.42091	1.9
71.42431	1.3
72.06179	1.0
72.60205	1.2
74.48876	1.0
78.95911	2.7
152.99579	15.2
243.62674	1.2
255.23299	100.0
256.23672	10.6
260.73407	1.2
311.28281	1.3
340.93497	1.0
391.22342	7.3
414.35056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66071	5.1
59.01374	76.0
60.60773	5.8
61.98827	100.0
69.30014	49.6
82.48400	6.2
96.96001	7.1
102.60699	5.3
109.10973	5.0
162.14265	7.3
203.41103	5.3
204.43748	5.8
221.51039	6.0
255.23178	12.0
297.94498	6.4
391.24710	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	7.5
61.98827	100.0
70.46423	2.2
70.46777	5.4
105.20083	1.8
127.07652	3.5
137.41046	2.2
171.06595	2.1
192.23682	1.9
265.00546	1.8
268.69217	1.7
299.86990	1.9
319.15555	1.8
350.23590	1.8
393.13809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51405	0.4
55.89732	0.4
56.08617	0.4
57.03456	1.2
59.01378	24.6
61.98825	0.9
65.67550	0.6
71.01373	5.0
72.99285	0.6
73.02956	2.3
83.01397	0.8
85.02943	2.6
89.02444	3.7
95.01392	0.8
99.08160	0.6
101.02452	3.7
113.02465	3.5
119.03472	2.5
119.20419	0.4
127.07650	100.0
128.07970	4.3
133.05049	0.9
145.08679	0.7
153.05620	1.0
153.09145	0.5
161.04634	0.8
171.06621	69.1
172.06995	3.1
175.02538	0.7
179.05602	0.8
203.49879	0.5
229.45703	0.7
231.02519	0.5
307.13925	1.7
321.19324	0.6
351.20166	1.3
361.13205	0.6
374.31137	0.6
393.14056	14.3
393.28503	2.5
394.14236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.0
59.43714	1.6
63.54500	1.8
66.97238	1.5
69.30674	1.4
69.43521	6.5
69.43938	4.8
71.01382	2.5
73.02943	8.3
77.65537	1.7
83.01368	1.7
85.75313	1.4
97.19505	1.6
98.19946	3.3
101.02420	4.1
127.07655	100.0
128.07979	5.3
171.06625	70.3
172.06943	4.7
174.21695	2.0
183.73677	1.9
183.88469	1.8
285.07797	2.0
393.14136	30.5
394.14334	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53109	0.6
53.34266	0.6
57.03439	0.8
59.01382	26.3
59.08930	0.8
61.98822	2.2
69.03445	0.8
69.91480	3.6
71.01383	8.5
73.02950	4.3
83.01425	1.9
85.02975	4.3
87.00877	2.0
89.02449	2.8
95.01398	1.0
98.11091	0.7
98.19968	1.0
99.00901	0.9
101.02439	7.7
113.02467	6.8
115.00372	4.0
119.03558	1.2
127.07663	100.0
128.08003	4.7
129.01971	1.1
129.05496	0.9
130.97916	0.8
139.00369	0.8
145.08723	1.2
146.24373	0.7
157.01462	1.2
159.04500	2.1
161.04549	1.6
171.06635	82.7
172.05605	1.1
172.06949	4.3
174.03230	0.8
175.02484	4.9
187.04039	1.3
187.07677	7.1
188.04761	5.4
188.07875	0.8
199.48824	0.7
217.08701	4.8
231.06775	0.9
273.07877	1.1
275.09244	1.2
349.14917	1.4
393.14001	25.9
393.28534	1.6
394.14200	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	393.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.38786	1.7
70.90960	3.9
71.30310	1.7
83.37034	1.5
96.96021	2.1
97.02663	1.8
118.89243	1.7
137.00098	2.8
255.23251	5.3
256.23624	1.9
315.23227	3.5
344.12537	2.2
419.43765	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	394.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69770	1.2
59.01363	2.3
61.98828	100.0
69.24107	2.0
69.24509	9.1
70.39206	1.0
96.96015	2.5
97.38258	1.1
104.94244	1.1
221.51672	1.0
226.06210	1.3
346.86740	1.1
360.76898	1.1
389.02866	1.1
394.13672	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1715
Annotation	Latrunculin B
Peak:m/z	Relative Intensity
55.01860	0.7
58.00578	1.2
59.01382	33.4
61.06317	0.5
61.98822	1.2
65.78124	0.5
69.23012	1.2
69.23414	3.9
71.01383	37.3
72.00910	0.6
72.01720	0.7
72.99302	1.0
73.02935	1.5
83.01406	2.1
85.02952	4.3
85.06594	13.4
86.06898	0.7
87.00887	1.1
88.04043	6.7
89.02444	13.7
95.01394	1.2
97.46465	0.5
99.00880	1.0
101.02443	12.6
113.02459	5.5
113.06086	1.7
116.03553	0.8
119.03522	4.4
127.05164	0.7
129.05595	1.2
130.08766	1.7
135.03004	0.5
142.08751	3.8
143.03506	0.8
157.96678	0.6
159.02939	0.6
160.09798	47.3
161.04556	1.1
161.10114	1.6
161.56035	0.6
187.85757	0.6
214.10854	0.9
277.12842	1.0
322.15106	5.6
354.12167	0.6
358.15100	2.4
376.16177	2.0
394.17166	100.0
395.17590	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	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
59.20515	0.2
61.98825	100.0
62.98524	0.2
70.01023	1.2
95.10709	0.2
97.02966	0.5
98.20001	0.4
101.67575	0.2
127.33737	0.2
138.19658	0.2
163.35876	0.3
181.91364	0.2
222.53285	0.2
261.11105	0.6
262.11819	2.1
291.19754	1.0
307.98828	0.3
309.20697	3.4
310.21014	0.4
312.22733	0.5
325.10349	0.9
331.18793	1.9
332.19254	0.4
393.15189	0.3
394.18436	3.6
395.18832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96983	0.4
59.01374	1.2
61.98830	100.0
63.83773	0.3
70.01880	1.6
96.96057	0.5
197.11833	0.8
240.28165	0.3
288.46878	0.4
296.10016	0.5
309.20581	0.5
312.22733	0.7
394.18509	2.4
394.22836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
60.61148	0.4
61.98824	3.0
64.23418	0.4
68.62181	0.5
71.01385	4.5
71.49432	0.5
72.22104	0.5
72.99303	0.6
77.72456	0.4
78.95905	27.6
79.95737	1.6
83.01381	0.7
85.02946	1.4
87.00871	3.9
87.74749	0.4
88.04034	0.7
89.02431	1.4
90.17247	0.5
93.03500	0.6
95.81071	0.5
96.96009	100.0
96.96960	55.4
101.02444	1.6
111.00970	0.6
113.02451	0.9
115.00376	10.2
126.83782	0.5
127.00361	0.7
139.00394	1.6
145.06529	0.7
153.06735	0.8
157.01422	5.0
175.02475	32.1
176.02849	1.1
189.05550	0.7
190.98749	0.7
220.28926	0.5
233.04449	0.7
233.56256	0.5
251.60272	0.6
286.66644	0.5
297.06055	0.7
306.11905	0.6
338.26984	0.5
377.02591	0.8
395.03323	1.1
395.15268	0.5
397.94583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
70.79302	0.9
70.96814	0.3
77.35178	0.3
99.08152	16.3
99.92585	6.2
100.08495	0.6
100.92667	0.5
100.93354	8.5
101.93355	0.6
115.92072	100.0
116.92086	5.7
116.92862	2.2
123.04482	0.3
132.92342	1.2
145.90547	0.3
164.01317	0.3
183.01157	0.4
189.07613	0.8
201.02229	1.8
206.97548	2.3
227.00220	1.7
238.96494	1.0
321.04379	1.3
365.03366	1.4
399.95496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89851	0.4
58.19369	0.3
59.01373	3.2
69.20670	3.0
71.01366	1.0
78.95903	9.0
85.28446	0.3
89.02428	1.2
96.96947	0.6
105.08028	0.3
117.01939	3.2
135.02962	1.4
143.86444	0.4
152.99577	13.3
153.99896	0.4
167.94968	0.3
230.21249	0.4
233.22801	0.4
242.22504	0.3
275.20242	0.6
277.21704	100.0
278.22046	10.7
278.98309	0.3
311.22775	0.3
395.24017	1.8
395.48712	0.3
400.61581	0.3
409.82172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
71.01370	1.1
75.00883	0.6
76.53678	0.2
78.95902	6.6
96.96982	0.4
117.01933	0.7
135.02992	0.7
152.99576	9.1
171.00615	0.3
214.20497	0.2
233.22714	0.3
241.21780	0.3
259.20602	0.6
275.20026	0.3
277.21701	100.0
278.22049	12.4
282.86978	0.3
330.81906	0.3
395.24878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46503	0.2
55.01865	0.4
59.01384	1.2
65.78065	0.2
70.51828	0.5
70.52197	0.4
71.01369	0.5
73.02954	0.8
75.00873	1.0
78.95895	3.6
79.06281	0.2
87.00874	1.0
89.02418	0.2
99.63819	0.2
99.78310	0.3
104.88432	0.2
117.01955	2.1
127.07701	0.3
135.02989	4.4
152.98373	0.5
152.99570	6.3
167.54909	0.2
171.00645	0.3
183.01280	0.5
227.20178	0.3
240.67085	0.3
259.20651	0.3
275.20224	0.4
277.21695	100.0
278.22052	11.7
311.16797	1.5
339.37659	0.3
395.24146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.4
61.98828	100.0
69.62337	9.8
71.01396	4.2
82.47263	1.9
85.02943	2.7
89.02438	3.2
98.77093	2.1
101.02423	3.2
132.23509	1.7
134.46504	1.6
163.07594	2.6
191.06934	1.8
203.99292	1.8
212.40918	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	396.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78511	21.7
61.98843	32.5
71.01354	25.7
71.50333	39.1
96.96008	74.5
116.90475	32.4
146.57466	22.2
183.01141	45.6
232.60283	20.4
263.74313	25.7
311.16736	100.0
396.13998	29.7
397.22391	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81012	0.9
55.01867	4.3
57.03429	2.9
58.00579	4.4
59.01375	100.0
68.99818	1.2
69.03436	4.1
70.80946	2.1
71.01377	78.7
72.01716	0.9
72.99316	5.0
73.02949	17.3
75.00856	2.2
79.30937	1.0
80.46582	0.9
81.03442	3.7
81.78635	0.9
83.01375	9.2
83.26003	0.9
85.02944	17.4
86.00095	1.9
87.00872	15.3
87.21060	1.2
89.02439	59.4
90.02779	1.6
91.03980	2.3
95.01372	4.6
97.02952	15.2
97.80031	1.0
99.00877	5.7
99.04582	1.1
101.02437	56.3
102.02782	1.6
103.04003	1.7
104.57218	0.9
109.02889	1.7
110.90515	1.0
111.04492	4.4
113.02449	23.9
115.04014	1.5
119.02659	1.6
119.03490	21.1
121.02921	1.6
124.01725	1.1
125.02444	18.1
131.03459	3.5
133.05032	3.6
134.23509	1.0
139.03995	1.5
143.03499	6.9
149.04527	1.2
151.04091	1.1
157.05087	1.2
161.04530	11.5
169.05086	2.5
177.80467	1.0
179.05609	5.6
203.05591	1.1
217.07156	3.2
221.06630	4.0
235.08221	16.1
245.06596	1.7
253.09218	2.0
263.07690	1.3
277.09305	2.0
287.07428	1.8
305.08664	1.7
323.09894	1.6
361.11569	1.3
397.13461	52.9
398.13855	4.7
410.99799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
57.03443	4.4
57.78630	1.4
58.00585	4.5
59.01376	100.0
61.02290	1.5
69.03458	6.8
69.24462	2.3
69.24873	10.2
71.01378	88.0
72.99318	7.9
73.02943	22.3
75.00820	1.4
81.03451	4.5
83.01387	11.7
85.02949	18.9
86.00113	2.2
87.00864	19.4
89.02441	73.0
91.03998	2.1
95.01365	6.4
97.02947	16.6
98.20670	2.5
99.00879	7.4
101.02434	70.3
103.03984	2.2
111.04516	4.0
113.02441	26.9
114.02750	1.6
115.00632	1.4
115.04003	2.3
119.03493	24.7
121.02924	3.0
125.02454	21.3
127.03973	1.6
131.03516	3.2
133.05086	4.6
137.62013	1.4
139.03961	1.5
141.01891	1.6
143.03494	12.0
149.04521	4.1
161.04581	13.1
179.05569	6.2
217.07101	2.2
221.06641	5.7
235.08197	23.6
245.06747	1.6
253.09219	1.7
263.07736	2.0
287.07816	2.1
357.53278	1.6
361.11530	2.6
379.12292	2.2
397.13461	68.5
397.28613	2.3
398.13422	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51066	0.4
53.13152	0.6
54.07763	0.5
59.01376	100.0
60.01697	1.2
60.58294	0.5
60.84720	0.6
71.01387	2.6
71.50430	1.0
73.02950	0.6
85.02951	0.7
87.21227	0.5
88.65047	0.6
89.02455	1.2
101.02449	1.2
113.02471	0.9
114.77470	0.5
122.15657	0.6
137.90361	0.4
138.03189	0.7
161.04570	0.6
183.76711	0.5
216.27718	0.5
235.09839	0.5
269.95889	0.4
277.59915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.6
57.03457	8.0
59.01377	83.1
60.01717	1.5
61.98819	8.2
69.66007	7.8
71.01379	100.0
72.99309	3.7
73.02559	2.6
73.02944	35.2
73.03355	1.8
75.00888	2.7
83.01385	18.6
85.02946	46.6
87.00868	5.9
87.64030	1.6
89.02446	21.3
93.03451	1.8
95.01380	8.2
97.02921	3.6
99.00890	12.9
101.02439	94.1
102.02795	2.5
111.00898	2.2
112.01631	2.1
113.02444	41.4
114.05659	1.7
119.03516	8.5
119.04972	3.9
125.02394	3.4
127.44235	1.4
129.01907	3.2
133.06592	2.2
138.93765	1.6
143.03490	5.6
143.04588	2.0
145.02895	1.8
159.02991	12.7
161.04555	37.3
163.04019	2.9
173.06102	2.9
175.04015	2.3
177.03398	3.1
191.07124	4.8
196.25420	1.4
197.71141	1.4
217.05113	2.4
226.80177	1.4
235.11844	64.3
236.12254	4.3
251.43793	1.7
337.18604	5.6
368.25311	1.5
397.11652	4.5
397.17068	64.2
398.17413	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	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.6
62.12570	2.1
70.65616	5.9
75.51294	2.1
79.95736	12.3
96.96017	83.7
115.94997	2.2
122.97565	5.8
166.68652	2.4
279.23141	2.3
378.66077	2.4
395.02649	2.5
397.17404	5.7
397.22632	100.0
398.22949	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	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.5
61.98829	100.0
71.01364	4.2
73.44801	1.6
89.02431	1.9
101.02404	2.5
117.57935	1.6
249.13387	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	399.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
61.98826	2.9
65.00323	1.1
68.99816	0.5
69.63252	0.9
69.63647	1.1
71.01392	2.6
71.01712	0.4
73.02956	0.6
74.02474	0.4
75.00861	1.6
77.03976	1.3
79.01904	0.6
81.03453	1.0
83.01337	0.4
85.02953	1.5
89.02436	0.9
89.44434	0.3
92.38989	0.4
93.03459	2.0
95.05022	0.8
96.96040	0.4
101.02440	1.7
104.73650	0.3
105.03456	3.5
107.01392	3.3
108.38150	0.3
111.00919	0.4
113.02468	1.1
113.03539	0.4
114.05619	0.4
115.00351	0.4
117.03451	0.7
119.04990	0.6
121.02958	28.8
122.03293	1.4
123.04519	0.7
126.91029	0.3
134.03709	0.7
135.04533	0.5
136.13205	0.3
139.04025	0.8
145.02934	0.6
148.01689	1.4
149.02440	100.0
150.02780	5.4
153.00174	0.3
160.01689	1.0
161.02499	0.5
163.04016	1.1
171.01183	0.5
173.02434	1.4
175.03999	0.5
177.05618	1.0
191.03502	1.1
193.01381	2.9
193.04959	0.4
209.66486	0.4
219.02957	0.9
237.03905	1.1
263.82657	0.3
311.07721	0.5
324.78705	0.3
355.06699	39.8
356.07043	4.4
399.05185	5.7
399.09009	1.0
399.13647	0.8
400.06021	0.6
400.12881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92435	3.3
58.02967	4.3
59.01371	4.1
59.68914	3.1
59.93342	2.8
67.11164	3.1
69.14758	23.1
69.15182	10.1
70.12963	2.9
71.01375	6.4
85.02960	3.9
86.17376	3.2
92.05083	4.5
101.02424	3.7
101.06111	7.8
118.06606	16.6
127.22472	3.7
128.05070	19.6
131.03770	14.9
144.04544	91.6
145.04922	6.0
146.06111	53.5
172.04027	9.1
190.05095	100.0
191.05492	7.6
229.52881	3.4
249.08734	23.9
296.09286	13.1
351.01691	3.1
399.24051	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68778	10.5
59.01374	16.3
71.50382	17.8
71.79966	10.2
72.66944	8.6
80.09681	9.2
86.07394	10.9
89.62685	9.8
94.29758	11.5
104.42583	11.2
145.49536	9.9
170.85562	12.9
399.34735	100.0
400.34879	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.86163	8.8
74.67022	2.7
113.87438	3.1
173.07671	2.8
214.53842	2.5
271.13116	3.0
280.30457	2.9
324.25098	3.2
399.29773	3.0
399.34906	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69690	0.9
54.58273	1.1
59.01376	1.1
71.01380	100.0
71.03975	2.2
72.01732	1.7
72.99308	31.1
73.02920	1.2
77.68812	0.9
81.30128	1.0
85.02951	1.6
87.00867	1.8
89.02454	1.3
95.05042	1.7
96.99313	2.5
98.18656	0.9
101.02438	1.7
113.02414	1.3
115.00368	68.7
116.00659	1.5
119.02195	1.3
119.03350	1.1
123.04518	96.8
124.04850	3.8
133.01425	27.9
157.15987	1.0
161.04533	10.3
181.40076	1.3
277.05640	1.8
285.09787	18.6
286.09991	1.3
383.09787	12.3
384.10205	1.4
401.10855	32.6
402.11093	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55141	1.1
56.80109	1.1
59.01372	5.9
69.80307	6.1
71.01385	100.0
72.99316	29.5
73.02988	1.3
85.02957	2.3
87.00886	13.9
89.02456	3.7
94.52522	0.9
95.05061	1.8
95.72684	1.1
96.11726	1.1
96.99342	2.9
99.00875	1.7
101.02432	3.3
105.01933	3.6
105.03442	2.4
109.02959	1.5
113.02456	2.3
115.00378	73.0
119.03498	1.4
123.04527	91.5
124.04858	3.4
133.01433	24.8
147.69553	1.3
149.02487	2.1
156.46553	1.1
159.48508	1.2
161.04564	9.4
163.04074	2.2
164.04771	2.0
166.02689	1.7
178.06374	1.6
179.03442	2.2
179.05775	1.5
179.07123	7.0
181.05038	2.6
187.36058	1.2
191.03503	3.0
191.07249	1.2
193.05052	1.3
194.05893	1.7
204.04256	1.5
207.06612	1.2
209.08221	2.0
224.70149	1.2
265.07193	14.9
285.09790	16.9
286.10059	1.5
295.08197	8.4
325.09131	1.4
341.11032	3.7
355.10226	2.8
383.09808	13.8
384.10397	1.5
401.10904	55.6
402.11139	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13237	0.2
53.33972	0.2
57.03452	0.2
59.01374	2.4
69.66022	0.9
71.01377	100.0
72.01714	1.8
72.99303	28.7
73.02932	0.9
73.99661	0.3
77.03976	0.4
83.01377	0.6
85.02950	1.7
85.72307	0.2
87.00878	2.0
89.02437	1.2
93.03443	0.4
95.01369	0.4
95.05014	1.6
96.99307	2.1
99.00868	0.6
101.02439	2.6
105.03455	1.2
108.10511	0.2
113.02457	1.9
115.00365	69.2
116.00709	1.7
119.03490	0.3
121.02919	0.4
123.04516	91.5
124.04839	4.3
125.02441	0.2
133.01422	23.3
134.01801	0.5
137.02487	0.2
143.03462	0.5
149.02432	0.5
159.02931	0.6
161.04546	8.5
161.05908	0.4
162.04813	0.3
181.39610	0.2
195.04597	0.7
206.83302	0.2
207.06473	0.3
220.58720	0.2
223.04039	0.4
238.06326	0.7
277.05716	1.0
285.09784	13.8
286.10156	1.3
311.88403	0.2
383.09805	11.6
384.10214	1.5
401.10840	27.2
402.11182	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
69.65984	1.2
71.01380	100.0
72.01715	2.1
72.99307	27.5
72.99751	0.4
73.02950	1.0
76.04267	0.2
77.03944	0.3
77.36074	0.2
83.01408	0.3
85.02955	1.6
87.00858	2.0
89.02454	0.9
90.37952	0.3
93.03449	0.3
95.05013	1.4
96.99313	2.2
97.93972	0.2
99.00881	0.7
101.02454	2.5
105.03452	1.5
113.02441	1.9
115.00372	71.8
116.00718	1.6
119.03522	0.4
121.02966	0.5
123.04523	94.9
124.04844	3.6
133.01427	23.6
134.01811	0.5
143.03490	0.3
149.02432	0.6
150.02866	0.2
159.02979	0.7
161.04546	9.5
162.04834	0.4
195.04539	0.8
205.03482	0.3
207.06606	0.3
223.03990	0.7
235.08118	0.3
238.06319	1.1
239.07094	0.3
272.35007	0.2
277.05695	1.0
285.09805	13.6
286.10150	1.0
306.25201	0.3
383.09836	11.3
383.14780	0.6
384.10199	1.6
387.10733	0.3
401.10849	27.3
402.11218	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73533	2.4
59.01374	17.1
69.83401	9.2
69.83811	5.2
71.01379	100.0
72.99301	23.8
87.00887	13.9
89.02441	12.1
96.73674	3.4
96.99300	3.3
101.02420	6.3
103.00359	2.8
105.01900	12.5
113.02441	6.1
114.99575	4.1
115.00372	70.0
119.03493	5.1
121.81408	2.9
121.82233	2.7
123.04522	86.5
131.29591	2.3
133.01398	16.8
133.87766	3.1
158.83041	2.6
160.72127	2.6
161.04512	9.6
162.82407	3.0
175.02423	7.7
176.84019	3.0
179.05592	5.8
179.07101	6.9
195.18726	2.5
224.77855	2.8
242.01511	2.9
243.42099	2.7
265.07089	6.3
277.07126	4.5
277.69553	3.0
285.09775	11.7
295.08301	8.3
299.50650	3.1
341.10907	14.1
383.09790	10.4
401.10822	37.0
402.11182	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	401.139
Annotation	Ulexin B
Peak:m/z	Relative Intensity
56.03389	0.4
71.20643	0.5
109.02879	0.6
109.30888	0.3
117.03378	0.4
121.02881	1.3
143.04912	0.8
145.02954	8.2
146.03596	1.5
147.04439	1.1
159.04419	1.3
159.40979	0.4
169.06514	0.4
173.02365	0.6
176.12993	0.4
177.01440	0.4
181.06607	0.4
185.02319	1.3
190.49336	0.4
195.04358	0.9
196.05226	1.4
197.06020	3.2
198.06444	0.5
200.56857	0.3
211.03867	1.2
212.04701	0.8
213.05450	0.9
221.06059	2.0
224.04813	2.0
225.05554	9.5
226.06158	2.2
233.05908	0.6
248.04645	1.0
249.05524	4.3
250.06087	0.7
261.05563	0.9
262.06281	1.6
263.06985	1.6
271.11038	0.6
273.05341	0.4
273.09061	1.4
275.10416	0.5
281.09726	0.4
283.07565	1.1
284.08353	0.6
285.09277	0.5
287.07724	0.3
287.10675	2.3
296.08380	0.4
297.09155	1.1
298.09720	1.0
299.07065	1.9
299.10693	4.7
300.07813	2.9
300.10986	0.7
301.08752	4.3
302.08942	0.6
303.10226	1.1
311.07184	0.4
312.07669	0.8
313.08514	1.6
314.05945	0.8
314.09274	3.7
315.10236	6.4
316.10657	0.6
324.07642	0.5
325.08701	4.9
326.09363	2.4
327.06525	1.8
327.10196	4.1
328.07410	3.3
329.08011	2.5
329.11841	2.3
330.12357	0.7
341.08038	1.9
342.08832	4.6
343.09705	32.8
344.10025	5.0
351.06522	0.5
352.07556	0.6
353.08154	4.7
354.08820	3.4
355.09818	2.9
356.06778	1.2
356.10370	1.4
357.11252	1.0
358.11957	1.2
369.07416	1.2
369.11456	1.9
370.08234	1.5
370.12088	1.0
371.09192	100.0
372.09546	16.1
385.10797	2.0
386.11560	97.8
387.11896	15.1
401.13895	68.2
402.14227	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	401.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81719	0.5
58.84935	0.5
60.98492	0.4
69.15537	2.2
69.15970	2.1
72.19504	0.5
79.63470	0.5
93.99567	0.5
97.81109	0.4
121.02956	0.7
145.02956	3.3
159.04556	1.6
197.06068	8.3
198.06424	0.5
213.05649	0.9
225.05586	1.9
226.06299	0.8
238.06352	0.7
240.07977	0.7
250.06496	0.5
273.09247	1.1
287.10760	1.7
297.09045	2.3
298.09674	0.8
299.10721	2.8
300.07990	0.6
301.08646	2.0
314.09399	1.5
315.10263	8.0
316.10590	1.0
324.07895	1.6
325.08646	11.4
326.09296	3.8
327.10202	9.1
328.10779	0.9
329.11795	1.0
330.12646	1.1
341.08237	0.6
342.09021	5.3
343.09708	45.7
344.10089	7.1
353.08148	1.8
353.71234	0.5
354.09082	4.0
355.09689	9.1
356.10327	4.8
357.11432	2.2
358.11990	2.3
368.10349	1.3
369.11325	2.4
370.08258	1.4
370.12280	2.6
371.04230	1.0
371.09195	46.6
372.09579	7.0
385.10812	10.4
386.11551	59.0
387.11856	9.0
401.13907	100.0
402.14279	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	401.1393
Annotation	Ulexin B
Peak:m/z	Relative Intensity
59.01365	1.4
77.17741	0.7
119.34013	0.7
121.02964	5.7
125.67505	0.6
145.02957	3.6
148.31721	0.7
154.22185	0.7
159.04539	1.3
197.06062	8.1
213.05553	0.7
221.05820	0.7
225.05554	2.5
240.08066	0.8
287.10849	1.1
297.09152	2.1
298.09943	0.8
299.07385	0.7
299.10767	2.8
301.08752	2.3
309.09549	0.9
313.07053	1.4
314.09409	1.0
315.10266	6.3
316.10748	0.8
324.07898	1.0
325.08698	9.9
326.09326	3.6
327.10220	8.0
330.12592	1.2
341.08078	0.8
342.08936	3.8
343.09720	42.8
344.09952	5.7
353.08209	1.7
354.09174	4.1
355.09628	10.9
356.10474	4.0
357.11337	1.7
358.12143	2.4
368.10553	1.4
369.11240	2.6
370.08191	1.2
370.12167	1.9
371.09183	49.7
372.09604	6.6
385.10815	9.7
386.11554	56.8
387.11951	7.6
401.13895	100.0
401.30844	4.1
402.09033	1.3
402.14252	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51421	0.9
53.26633	1.0
59.01381	72.3
60.01720	1.7
61.98823	3.8
63.86118	0.9
71.01383	12.1
72.99304	1.6
73.02943	1.8
74.02477	1.2
83.01409	1.3
85.02948	3.4
88.04018	1.9
89.02451	8.1
101.02476	5.9
109.01684	2.4
109.02981	1.2
113.02469	3.4
114.05635	2.2
115.00381	3.0
119.03510	2.1
119.84733	1.0
121.02962	3.0
123.04504	8.4
129.10303	1.3
133.05072	4.4
153.09203	2.2
161.04552	2.7
161.06033	1.1
162.06883	6.6
164.04787	5.6
172.10838	1.4
177.09154	1.8
179.07140	63.7
180.07504	5.6
210.07716	2.0
221.11797	1.8
239.09247	100.0
240.09668	7.8
334.38031	1.0
341.11472	1.2
347.50058	1.0
357.21335	1.8
383.18979	1.3
401.09949	1.5
401.14520	35.2
401.19354	1.4
402.14856	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.0
59.01378	100.0
60.01719	1.2
61.98833	6.5
69.68114	3.9
69.84476	0.7
71.01383	17.3
72.99321	1.8
74.02492	0.9
83.01375	1.0
85.02952	3.7
85.52484	0.7
87.00887	1.2
88.56113	0.7
89.02440	16.7
95.01400	0.9
101.02437	8.1
113.02435	6.0
115.00359	2.0
118.42764	0.7
119.03503	5.9
123.04533	2.4
135.04482	0.8
143.03500	0.8
146.03725	17.7
147.04114	0.8
161.04634	2.1
161.06114	6.1
161.07237	0.9
163.03918	0.7
164.04782	11.3
164.06003	1.0
165.05176	0.8
179.05630	2.1
179.07124	49.3
180.07516	3.1
202.04398	0.8
203.10785	1.3
206.09460	0.9
221.11879	2.7
239.09258	6.8
240.83691	0.9
262.16559	0.7
350.69138	0.7
366.16809	1.0
383.08267	1.1
395.87552	0.8
401.10315	1.0
401.14954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.01377	54.9
69.40863	8.2
70.59778	1.1
71.01353	1.8
75.00846	1.1
99.08150	22.4
102.04934	2.2
102.05605	41.9
103.05904	1.6
111.78396	1.4
121.02953	11.3
123.04510	2.2
127.07642	14.7
129.05574	51.5
130.05913	1.6
134.03732	12.7
141.07869	1.4
142.21632	1.1
145.08690	1.7
149.06062	9.2
171.06601	3.1
189.07672	100.0
190.07961	6.7
208.05325	3.1
212.70860	1.1
221.05937	1.5
236.04713	6.4
237.05415	1.1
249.05463	3.4
251.07121	12.3
401.09235	1.6
403.86081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03443	1.7
57.63544	0.8
58.00581	2.5
59.01380	100.0
60.01706	1.1
61.98833	4.3
69.51788	6.0
69.90184	0.9
71.01382	62.3
72.01735	1.3
72.99306	4.4
73.01071	0.8
73.02935	1.6
74.02470	2.0
75.00873	1.0
80.27516	0.8
83.01383	2.6
85.02946	12.1
87.00869	4.1
88.04045	1.5
89.02445	69.0
90.02737	1.0
95.01391	4.3
99.00935	1.0
101.02441	29.9
103.05100	1.2
109.01723	2.3
109.27514	0.8
113.02454	23.7
114.05611	2.0
115.00356	4.0
119.03506	26.6
121.02943	2.5
123.04508	4.6
131.03497	2.5
133.01425	1.2
133.05054	2.0
143.03510	1.9
145.83376	0.8
146.03773	1.6
149.02425	3.1
149.04395	1.9
150.02768	1.5
151.07713	1.0
153.09164	2.2
161.04529	4.7
161.05898	2.0
161.09721	1.1
164.04794	2.5
166.08649	0.9
172.10857	1.5
177.09210	2.1
177.98714	0.8
179.05571	4.2
179.07095	21.5
180.07491	0.9
187.07687	1.4
193.04953	1.0
203.10806	5.9
206.09409	4.0
217.49527	0.8
221.11829	7.1
221.79468	0.8
239.09241	27.0
240.09529	2.6
341.11038	2.5
357.07132	1.5
357.21402	1.6
357.39850	0.9
366.16812	1.8
401.10229	2.0
401.14432	8.2
401.18845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03443	1.2
57.57402	1.0
58.00587	2.9
59.01378	59.8
71.01379	31.6
71.01778	1.4
72.99299	3.5
73.02942	2.7
75.71165	0.9
83.01372	3.4
85.02955	7.9
87.00843	2.2
89.02441	29.3
95.01390	2.4
99.00868	1.5
101.02442	20.7
101.03098	1.3
113.02443	10.7
119.03510	10.0
119.04983	1.4
121.02955	41.9
122.03284	1.4
123.76879	0.9
143.03450	1.4
148.21910	0.9
161.04585	1.1
179.05626	1.3
181.06577	2.2
189.96693	0.8
221.15430	10.6
225.05518	2.1
239.16463	2.6
274.95618	0.9
313.07114	12.2
314.07458	1.5
357.06177	5.1
377.54440	0.8
383.21036	1.1
401.08862	11.2
401.21765	100.0
402.09229	1.6
402.22150	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	401.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90549	3.4
58.53462	3.7
59.01379	100.0
61.98821	3.8
62.79699	3.4
62.89787	3.8
69.38088	4.1
71.34445	5.4
96.66815	3.3
101.22620	3.8
121.02959	26.5
173.37010	3.6
239.26421	4.2
313.07257	8.3
401.08698	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	401.3057
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01385	0.3
67.19064	0.3
98.06014	0.2
98.19937	0.7
121.02940	1.1
138.91106	0.3
164.03621	0.3
236.48004	0.3
241.71112	0.3
401.30554	100.0
402.30905	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	402.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99852	3.7
66.66790	0.2
69.36868	0.7
69.37280	0.8
88.97548	0.2
92.15138	0.2
140.99855	2.1
164.01482	2.5
164.99872	8.1
167.98541	1.1
172.02811	1.1
208.00444	100.0
209.00874	7.0
223.02795	4.8
399.91534	0.2
402.08612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28360	0.2
59.01369	0.3
59.03696	0.2
61.42129	0.2
63.69467	0.2
65.99837	3.1
70.98680	0.5
70.99007	0.2
75.86665	0.2
94.69441	0.2
119.02495	0.3
128.03763	0.2
140.99873	2.6
156.24551	0.2
164.01469	2.2
164.99855	8.4
166.00330	0.4
167.98647	1.0
172.02769	1.4
199.42439	0.2
208.00430	100.0
209.00844	6.5
223.02771	4.7
224.03149	0.4
291.10410	0.2
342.54083	0.2
387.09225	0.2
402.08655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71256	54.8
61.98818	100.0
62.27833	69.1
71.50217	97.1
71.82847	51.4
152.04263	58.8
193.89796	60.7
241.22446	76.5
357.80951	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93977	0.7
55.01866	0.8
57.03438	1.1
58.00586	1.2
59.01382	39.4
61.98829	12.7
67.01897	0.9
68.99834	0.9
70.84145	1.4
71.01384	22.7
71.01784	1.1
72.99308	1.7
73.02948	1.5
74.23126	0.6
76.00455	0.7
83.01401	2.9
84.68861	0.6
85.02957	3.7
85.06583	1.4
87.00883	1.6
89.02448	22.2
95.01402	4.1
96.81372	0.6
97.02940	0.8
99.00878	1.6
101.02451	13.3
104.26369	0.6
105.82270	0.6
109.02947	1.3
110.13033	0.6
111.00890	2.7
112.98781	0.9
113.02460	9.1
119.03501	7.2
121.02927	1.7
123.00884	13.1
123.04489	1.2
125.02415	1.0
127.00375	3.0
133.02960	1.2
135.04567	1.1
136.98810	2.8
137.02455	3.7
138.03227	8.1
139.00386	9.6
142.92136	0.7
143.03468	1.1
149.09538	0.6
151.00345	1.0
152.01111	2.2
152.04774	1.3
153.01953	0.7
153.05582	2.3
154.02702	1.5
154.99904	0.7
161.02455	5.0
161.04584	1.7
163.00403	1.0
165.01924	11.1
165.09209	0.7
166.02542	0.6
167.03491	2.7
178.02530	0.7
179.03465	2.3
179.05725	1.5
179.10721	1.2
180.04279	5.6
181.08661	0.7
193.01416	22.9
194.01837	1.7
195.06616	1.6
205.12369	1.9
207.03001	2.4
208.03770	39.4
209.04137	4.0
223.06116	100.0
224.06471	6.8
225.11401	0.8
240.08002	1.1
241.14433	1.2
341.08649	2.6
403.12469	5.9
403.16797	0.9
403.20230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13721	0.4
54.62967	0.4
58.35023	0.5
59.01379	4.2
69.38522	2.3
69.38944	1.2
71.01387	2.2
73.02928	1.0
82.22794	0.4
83.01391	0.5
85.02950	0.6
89.02433	0.5
90.02779	0.4
94.34863	0.4
101.02408	1.9
113.02422	0.7
119.03617	0.5
181.12447	0.5
182.07330	1.6
197.05945	0.5
198.06842	5.3
199.13484	0.7
225.05568	0.6
226.06335	66.4
227.06676	5.7
241.08688	100.0
242.09004	8.8
275.99164	0.4
301.37823	0.4
316.40012	0.4
343.17685	1.6
361.18729	4.4
378.31818	0.4
403.19641	8.8
404.20065	0.9
416.01880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1396
Annotation	Koaburanin
Peak:m/z	Relative Intensity
56.45304	0.4
58.35032	0.4
59.01375	1.8
61.98821	1.7
69.27165	3.1
69.27568	0.8
87.02271	0.5
98.20740	0.8
98.88332	0.5
107.49787	0.4
111.08121	0.7
138.04259	0.5
162.83897	1.4
169.06680	0.8
173.08008	0.5
182.07359	1.7
197.06078	0.8
198.06853	6.1
225.05525	1.9
226.06348	62.3
227.06657	5.8
241.08699	100.0
242.09021	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	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32656	0.3
59.01371	1.1
61.41453	0.2
61.98833	0.8
71.01380	0.8
72.87730	0.2
85.02947	0.4
101.02457	0.3
113.02412	0.3
126.11098	0.3
142.15540	0.2
182.07367	3.9
183.07690	0.5
184.05309	0.3
195.04408	0.3
197.06061	7.8
198.06657	1.3
207.04500	1.1
209.06065	4.9
210.06421	0.5
225.05551	12.2
226.06337	96.0
227.06688	7.7
240.07893	3.7
241.08687	100.0
242.09019	9.1
242.33728	0.2
244.12469	0.2
277.43317	0.3
284.48755	0.3
312.74426	0.2
343.17722	0.8
361.18430	0.3
369.60812	0.3
378.07236	0.3
403.14542	0.3
403.19763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1547
Annotation	Glyinflanin D
Peak:m/z	Relative Intensity
59.01374	1.7
61.98829	13.3
71.50646	1.2
90.87376	0.7
108.02169	22.2
109.02999	0.9
121.02964	1.2
123.04523	22.9
124.04828	1.8
145.02931	2.1
151.00368	0.8
153.15170	0.8
155.40912	0.8
159.04372	0.8
161.06038	3.7
173.55179	0.7
185.06033	1.6
187.03986	3.7
211.04050	0.8
223.07588	1.2
226.06320	2.6
227.07108	12.8
228.07536	1.2
236.08507	0.9
239.07133	2.4
241.08710	1.2
251.07039	4.5
264.07986	3.6
265.08649	9.7
279.10242	7.6
280.10895	2.2
292.01630	0.8
301.08633	2.4
301.12137	1.0
302.09384	1.3
313.08572	2.0
314.09485	2.1
329.08142	7.9
329.11514	1.1
330.08829	6.1
342.08905	0.8
355.09616	1.7
357.11270	3.7
358.08395	28.2
359.08899	4.2
372.09714	1.0
373.10751	68.7
374.11060	9.4
387.12378	2.2
388.13113	6.7
403.15485	100.0
404.15820	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	403.1546
Annotation	Glyinflanin D
Peak:m/z	Relative Intensity
50.33466	0.3
59.01357	0.6
61.98829	4.9
62.60726	0.3
69.35829	0.7
69.36222	2.7
72.60025	0.4
109.02939	0.5
117.71798	0.4
135.04510	4.7
159.78481	0.4
181.64059	0.3
195.04459	0.5
195.08034	0.6
222.06844	1.0
223.07643	1.4
225.05652	0.4
226.06548	0.4
227.07079	1.0
231.04501	1.0
233.05952	1.7
237.05562	7.5
238.05971	0.9
239.07066	0.9
241.08818	0.6
249.05635	1.3
250.06355	0.6
251.07108	100.0
252.07449	9.6
265.08618	0.9
357.11032	0.5
373.10638	0.7
387.12375	1.0
388.13147	1.8
403.15472	57.0
404.10785	0.7
404.15808	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.155
Annotation	4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
59.01368	1.4
61.98825	10.9
69.13416	0.9
69.13813	5.2
84.23819	0.6
86.28638	0.5
98.19949	1.5
105.31107	0.5
109.02940	7.4
135.04536	6.1
135.06166	0.6
149.06023	0.6
152.99559	0.9
175.76085	0.5
197.06113	0.8
224.04843	0.5
225.05533	1.1
226.06219	2.0
227.07085	1.3
237.05598	2.6
238.06219	1.4
239.07124	3.1
241.08679	2.6
249.05565	3.0
250.06276	1.3
251.07074	3.3
252.07823	1.8
253.08600	1.2
263.07065	3.8
264.07846	2.7
265.08588	2.9
277.08615	1.2
279.10242	1.0
284.06967	1.2
313.08627	0.9
315.06647	0.7
329.08112	5.7
341.08044	1.2
343.06003	1.3
344.10440	0.9
345.07587	1.1
345.11368	1.5
355.09714	1.1
356.10349	1.0
357.07632	8.1
357.11411	2.0
358.08389	20.9
359.08905	2.4
359.12961	0.7
361.10736	0.7
370.12164	1.2
371.08914	1.3
371.13022	0.7
372.09912	2.6
373.10751	46.9
374.11185	6.3
387.12344	9.0
388.13037	11.3
389.13400	1.6
403.15479	100.0
404.15765	16.0
426.86618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21221	0.5
57.03448	0.6
59.01370	4.9
60.01713	0.5
61.98828	100.0
66.58086	0.5
69.87206	0.4
71.01379	4.8
71.50131	0.7
71.50513	0.7
73.02950	2.0
83.01383	1.0
83.05011	0.6
85.02922	1.0
89.02447	1.4
92.05087	1.8
101.02451	2.3
109.06613	0.7
113.02444	0.9
115.00404	2.0
117.03457	2.8
118.03828	0.7
119.05019	5.3
119.74547	0.5
120.05410	0.9
121.02948	0.9
123.04515	3.7
124.04825	0.7
127.07662	2.4
136.04027	4.8
137.02477	0.8
138.03305	0.8
145.02965	9.8
146.03304	2.5
147.04555	0.9
151.04036	0.9
153.05571	10.4
154.05875	2.5
159.04510	0.8
161.04739	0.7
161.05974	0.5
161.64790	0.5
163.04012	4.9
164.04292	0.5
171.06691	1.4
172.07062	0.5
177.03485	0.6
185.20442	0.6
187.04044	2.3
187.16994	0.5
188.04309	1.3
205.05138	0.8
226.06161	0.7
227.07161	7.2
242.09143	1.0
243.10223	22.0
253.08687	3.7
255.90871	0.6
264.39835	0.6
269.08484	0.8
311.10358	0.6
314.11331	1.3
329.11276	0.9
368.11072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03466	2.4
58.00585	3.7
59.01379	100.0
61.98826	82.1
71.01379	68.9
71.01781	3.2
71.08837	2.1
72.99280	4.1
73.02957	4.7
81.87127	1.9
83.01411	4.8
85.02943	14.0
87.00869	2.7
87.04475	2.1
89.02441	73.6
94.54861	2.1
95.01382	5.6
101.02431	42.6
113.02438	28.0
119.03501	34.3
122.06126	5.6
122.55688	2.0
123.56304	1.9
133.02943	18.3
135.04506	7.4
143.03497	6.2
150.49161	2.0
161.02435	91.7
161.04414	12.1
162.02745	6.6
164.16011	1.8
179.03482	21.2
179.05539	6.9
180.03848	2.0
181.12436	2.2
203.03438	2.4
225.11386	3.5
241.05132	2.0
243.15985	7.6
245.12747	3.1
289.12021	2.9
341.08731	45.4
342.08948	5.2
401.06808	2.6
405.21335	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09077	0.9
57.03445	1.6
58.00594	1.2
59.01074	1.0
59.01379	35.2
61.98832	100.0
69.64344	2.4
69.64761	3.4
71.01385	20.8
71.05022	1.6
73.02938	2.0
75.67551	0.9
81.03490	0.9
82.09877	0.8
83.01373	1.9
85.02952	6.2
87.00871	1.5
89.02448	21.9
99.00874	1.0
99.04520	1.1
99.17262	0.9
101.02447	13.6
111.08176	1.4
113.02465	10.2
119.03510	11.3
131.03479	0.8
133.02960	15.1
135.04543	6.6
143.03485	1.1
149.09723	1.7
161.02443	68.6
161.04579	3.9
162.02808	4.2
167.10735	1.9
179.03499	15.8
179.05516	4.2
193.05606	0.8
203.03513	2.8
207.13873	3.5
213.33069	1.0
225.14977	2.8
243.15915	2.1
246.67932	0.8
269.11084	0.9
341.08759	28.0
342.09036	3.5
387.20160	2.9
405.13748	4.0
405.21313	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	404.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65170	0.8
59.01384	7.6
61.98830	100.0
71.01383	3.0
71.50782	1.2
73.02943	1.9
86.41768	1.0
89.02455	2.5
96.95993	1.0
101.02455	3.3
127.68156	0.8
135.04523	5.6
151.00381	1.4
160.84175	1.3
179.03470	8.2
180.03789	0.9
211.04030	1.3
243.10266	1.7
319.06073	4.3
362.07935	5.2
374.04248	0.9
385.52356	1.0
389.06610	1.1
390.07483	1.6
405.09784	13.5
405.21213	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	404.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
64.56487	0.3
67.41534	0.4
69.26520	3.0
69.26841	0.3
76.23737	0.4
143.01335	0.4
207.62120	0.3
211.59036	0.4
214.48828	0.4
334.72040	0.4
384.86240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
60.00520	0.3
61.05746	0.3
61.98831	100.0
67.32658	0.4
69.34751	2.5
74.56364	0.3
80.12138	0.3
139.72446	0.4
231.58951	0.4
258.38635	0.3
287.45325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32807	0.3
59.01375	0.8
59.92298	0.4
61.98831	100.0
63.56479	0.4
70.54128	1.1
71.01376	0.6
130.73686	0.3
150.16148	0.3
151.96950	0.3
158.16670	0.4
192.23151	0.3
264.09119	0.4
299.16510	0.4
318.90796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03460	4.3
58.00589	4.3
58.02967	5.6
59.01377	100.0
61.98827	12.8
70.02995	0.9
71.01379	62.7
71.05016	3.5
71.50585	1.0
72.00896	0.9
72.99309	5.1
73.02943	5.2
74.02467	14.0
82.02985	2.0
83.01380	3.6
84.04539	0.9
85.02943	12.0
86.02484	4.9
86.99122	1.3
87.00878	4.1
87.05632	5.1
88.04041	1.0
89.02442	77.0
90.00177	1.7
95.01375	3.9
97.04050	1.2
97.06565	2.1
99.00852	1.3
99.05636	13.0
101.02441	39.9
101.07219	1.9
107.06146	1.2
109.04058	1.1
111.08155	1.7
112.04085	1.5
113.02447	28.9
116.01760	1.3
119.03500	36.3
123.04585	1.1
123.05613	1.1
125.03541	1.7
125.09698	2.9
127.05132	1.8
128.03537	32.4
130.08740	0.9
131.03458	4.1
135.05655	2.4
141.06674	2.7
143.03539	3.8
143.04611	48.2
144.04933	1.5
145.06163	1.4
146.04611	3.4
149.04527	2.6
149.09760	4.5
151.11269	1.1
153.06668	3.3
160.00731	12.6
161.04517	7.8
163.11189	5.2
166.09770	1.6
167.04604	3.1
167.08275	0.9
167.10768	7.0
171.04205	1.2
171.07820	1.5
175.66364	1.0
177.03397	4.9
179.04440	3.6
179.05852	8.8
181.06143	1.2
181.12332	5.2
185.05626	2.3
197.05804	1.6
198.08818	1.2
207.13887	11.0
210.08826	7.7
225.14946	8.6
241.05016	1.5
242.05779	3.5
242.07901	1.7
243.15981	13.6
254.07803	13.3
255.68713	0.9
267.82993	1.0
272.08881	20.4
273.09122	1.6
288.06674	6.9
306.07648	60.2
307.07840	3.4
387.20377	5.2
404.14642	0.8
404.19901	1.1
405.12308	1.4
405.21396	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	16.1
60.17451	4.2
61.98834	100.0
69.99370	18.4
70.10195	4.0
71.01376	5.7
71.72879	3.9
98.20693	5.5
110.78200	5.4
133.63478	4.9
134.06084	4.3
154.35800	4.8
189.17862	6.1
210.00153	22.9
227.03447	5.8
255.03085	6.2
291.95938	4.3
302.43158	4.8
302.74216	4.6
303.16776	4.4
313.96509	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	405.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98833	0.3
67.84994	0.1
70.84884	0.4
71.01382	1.4
71.05666	0.1
73.02942	0.2
83.01375	0.2
85.02959	0.3
89.02444	1.1
93.03458	25.8
94.03792	1.1
95.01386	0.5
96.89848	0.2
101.02439	0.7
104.17518	0.2
108.02170	0.4
113.02457	0.5
115.00410	0.2
119.03532	0.5
127.00595	0.1
133.01414	0.3
136.01666	0.5
137.02446	100.0
138.02780	4.3
143.04659	0.4
161.04549	0.3
177.03464	0.9
179.03549	0.2
179.05594	0.2
179.48006	0.2
199.07634	0.2
243.06496	0.2
245.08279	0.2
299.07727	0.5
329.11630	0.2
345.15744	0.2
368.62231	0.2
405.12039	1.4
405.17477	0.5
405.21906	0.4
406.12347	0.3
415.24951	0.1
416.02817	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	405.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42923	0.3
59.01377	2.4
59.37815	0.3
61.39272	0.3
71.01371	1.0
71.50598	0.3
71.50991	0.5
72.91681	0.3
89.02438	0.7
93.03453	27.0
94.03781	1.1
95.01377	0.5
101.02435	0.5
108.02174	0.7
113.02440	0.4
130.08757	0.4
136.01617	0.6
137.02438	100.0
138.02779	4.6
140.18623	0.3
157.69183	0.3
191.99577	0.5
207.97531	0.3
208.54082	0.3
242.05722	0.6
243.06627	0.4
243.10239	1.8
248.14790	0.3
299.07816	0.4
405.11761	1.2
405.21338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.00586	1.0
59.01376	100.0
60.01728	1.3
61.53377	0.8
61.98825	7.9
62.98487	0.7
69.39368	0.7
70.78054	1.7
71.01378	15.1
72.99303	1.8
73.02936	1.3
85.02963	3.5
87.00882	1.8
88.81226	0.9
89.02444	18.3
95.01411	1.5
99.00879	1.0
101.02446	9.2
113.02451	6.0
114.05618	0.8
115.04230	0.7
119.03486	6.7
125.02471	1.0
130.08762	1.4
143.03516	0.9
149.09692	2.2
153.01932	3.8
161.04567	1.7
167.10748	4.1
168.04298	2.5
179.05618	2.0
183.06616	14.5
183.08139	1.4
184.07036	1.2
184.63454	0.8
216.53363	0.8
227.05447	0.8
243.08881	2.2
245.13330	0.7
289.12323	0.8
369.95410	0.9
399.28943	0.8
405.13705	1.4
405.21811	1.8
406.17691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75935	0.2
54.40535	0.2
55.01867	0.3
55.03807	0.2
59.01370	1.0
61.98818	0.4
71.01379	3.5
73.02937	1.0
77.80524	0.2
79.67632	0.2
81.95501	0.2
83.01388	0.3
85.02953	1.3
89.02448	0.3
93.03452	1.3
95.01381	0.6
98.19908	0.7
99.00872	0.4
101.02429	1.9
106.04208	0.3
108.02180	0.9
109.02953	0.9
113.02409	1.0
121.02953	2.6
122.03741	2.2
125.02448	0.3
136.05339	0.4
137.02396	0.3
149.02414	0.5
151.03969	2.0
153.01929	0.3
158.07336	0.6
158.35118	0.2
159.02975	0.4
161.04573	1.8
166.42513	0.2
183.08119	1.0
184.08929	0.2
186.06723	0.4
201.09193	1.3
227.07132	26.3
228.07646	3.5
229.03688	0.3
229.42877	0.2
243.10242	100.0
244.10580	10.2
244.13139	0.5
285.11386	0.4
405.15405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11436	2.8
54.87990	2.7
58.04515	2.7
59.01380	4.0
62.22620	2.9
69.40422	17.0
69.40840	6.6
71.01350	4.4
73.02944	4.0
101.02444	5.0
122.03649	3.4
128.58778	3.0
151.03871	3.4
177.78717	3.7
227.07080	28.9
243.10226	100.0
244.10521	9.5
258.89584	2.9
290.85007	3.3
400.64011	3.3
405.16479	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03455	2.7
58.00598	3.3
59.01380	100.0
60.01715	1.2
61.98857	0.4
69.20642	3.6
69.21053	0.6
71.01384	55.0
72.01743	1.0
72.99309	3.6
73.02949	3.5
74.02480	0.7
83.01382	3.3
84.02183	0.5
85.02950	12.7
87.00868	3.1
88.40962	0.5
89.02447	75.8
90.02777	1.3
95.01391	4.2
97.06612	0.7
99.00880	0.5
99.05656	0.8
101.02444	36.0
102.02783	1.5
113.02451	25.7
114.02792	0.9
119.03504	35.8
123.08147	0.7
125.02405	0.6
128.03557	1.5
131.03534	4.1
143.03500	4.6
143.04669	1.5
144.03893	0.5
144.04973	0.5
146.96425	0.4
149.04581	3.1
149.09697	1.0
151.11298	0.5
161.04549	6.9
163.11305	2.7
167.10747	1.6
179.05641	10.0
180.05978	0.6
181.12325	4.2
182.12700	0.5
189.12801	0.5
207.13910	0.7
225.14908	0.6
226.15234	0.5
241.05064	0.5
243.16020	10.8
244.16295	0.6
272.08932	0.6
273.09128	0.6
307.07977	1.4
405.21341	34.3
406.21573	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	1.6
57.03447	1.9
58.00599	4.2
59.01381	100.0
60.01714	1.4
60.51497	0.3
61.98837	4.1
68.23246	0.4
69.03459	0.5
69.63765	1.9
69.64130	0.6
71.01385	62.0
72.01725	0.7
72.99313	4.0
73.02944	5.8
73.44276	0.3
75.00870	0.6
80.19736	0.3
82.35170	0.3
83.01389	3.0
85.02955	13.1
85.03470	0.7
87.00877	3.7
89.02447	76.4
90.02790	1.4
95.01402	4.1
97.02950	0.5
98.19908	0.7
99.00890	1.3
99.04573	0.4
101.02448	38.2
102.02792	1.2
113.02457	26.1
114.02792	0.5
119.03506	34.3
120.03821	0.8
122.06145	1.0
123.08198	0.4
125.02473	0.8
131.03522	3.5
143.03493	5.3
149.04567	2.8
155.71452	0.3
159.02972	0.7
161.04559	8.7
163.11313	2.4
165.99442	0.3
167.10780	0.4
174.32211	0.3
179.05611	9.4
180.03970	0.4
180.05939	0.4
181.12340	2.7
225.15002	0.4
243.15990	7.9
244.16508	0.6
245.12898	0.7
279.88998	0.3
285.18304	0.4
301.80307	0.4
331.17453	0.7
342.09183	0.5
405.21310	29.4
406.21548	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54245	0.5
55.01869	1.2
57.03452	4.6
58.00593	3.7
58.89335	0.4
59.01378	100.0
60.01709	1.1
61.98837	0.8
65.69062	0.4
70.78380	1.2
71.01380	62.7
72.01715	1.2
72.99294	2.7
73.02952	3.6
75.00867	0.6
83.01369	3.4
85.02949	13.3
85.03465	0.7
86.03289	0.6
87.00875	3.1
89.02444	75.9
90.02760	1.4
91.49638	0.5
94.89055	0.5
95.01382	3.9
99.00878	1.8
101.02443	33.8
102.02796	0.5
113.02451	26.8
114.02769	0.8
118.98492	0.4
119.03500	28.4
120.03833	0.9
123.08173	0.5
125.02424	1.1
131.03514	3.3
137.49492	0.4
142.06367	0.5
143.03500	4.8
149.04527	2.3
159.03029	1.5
161.04558	11.3
163.11310	0.7
167.10764	1.4
179.05608	10.3
180.06010	0.5
202.25958	0.5
221.57890	0.5
225.14803	0.5
243.16025	1.4
405.21329	14.0
406.21603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03452	6.9
58.00586	4.2
59.01376	100.0
60.01702	1.1
62.33939	0.8
69.03438	0.8
71.01377	55.5
71.57404	0.8
72.01717	0.8
72.99310	4.3
73.02945	3.5
83.01385	2.8
85.02943	11.8
87.00878	3.2
89.02440	70.7
90.02766	1.7
95.01365	4.2
97.06609	2.4
98.19936	1.6
99.00891	1.3
101.02436	37.0
102.02785	0.9
113.02445	24.2
119.03494	33.3
123.08157	1.7
125.06133	1.9
128.03551	2.3
131.03488	4.1
143.03513	6.1
143.04539	1.4
145.28535	0.8
149.04565	2.3
149.09763	1.0
151.11290	1.6
161.04524	9.5
163.11246	3.6
167.10782	2.5
169.12381	2.1
175.34401	0.8
179.05621	10.7
181.12315	8.4
182.12642	1.0
199.13400	1.5
225.14931	2.6
243.15990	30.3
244.16370	2.8
258.95502	0.7
268.83362	0.8
270.85190	0.7
307.07748	0.8
370.13437	0.7
405.21280	37.4
406.21628	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.7
61.98814	4.9
66.31255	1.3
67.36042	1.5
68.54696	1.4
68.99821	1.9
69.15898	4.3
69.16304	11.8
71.01383	17.4
73.70354	1.5
83.01364	7.2
87.00868	6.6
88.44865	1.6
91.46759	1.4
99.00874	33.0
115.00367	12.7
127.00337	7.5
145.00259	2.5
145.01407	41.9
146.97273	1.4
161.58026	2.0
277.21707	100.0
278.22131	12.5
405.22769	9.0
406.23129	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	405.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.7
61.98817	6.2
71.01375	22.8
71.37502	2.2
71.37840	2.0
72.91430	1.6
72.99281	2.7
83.01381	7.5
87.00871	9.8
89.02464	1.4
99.00272	3.0
99.00880	41.6
107.01435	1.6
115.00375	13.2
127.00362	9.0
145.01427	51.7
146.01852	1.8
153.87625	1.5
173.31366	1.8
275.20300	1.8
277.21704	100.0
278.22116	12.0
289.21622	1.6
405.22723	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01368	3.6
61.98815	2.0
68.61964	0.6
71.01369	1.4
71.50388	1.1
78.95906	1.2
83.05025	2.2
86.90249	0.6
89.02396	0.9
91.39948	0.6
107.08650	0.8
109.06577	1.2
109.32009	0.7
111.08170	0.7
135.08102	0.8
137.09697	1.3
152.99580	1.3
204.39687	0.7
213.14893	0.8
239.16492	2.4
241.18010	3.7
267.19714	1.9
275.16479	1.8
277.75278	0.7
313.25525	1.1
315.27042	1.9
317.28357	1.1
325.25281	4.3
326.25772	0.8
333.27972	2.2
341.24756	1.6
343.26349	4.7
359.25842	2.6
361.27444	5.4
362.27866	1.0
369.24246	4.2
377.26898	1.4
387.25424	11.4
388.25870	1.9
405.26428	100.0
406.26788	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	405.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
58.69421	0.8
59.01364	3.9
61.98812	0.8
69.72989	0.7
70.66897	0.6
70.86360	2.1
71.01372	1.3
81.13640	0.6
83.05024	1.1
99.60228	0.7
106.98434	0.7
109.06596	0.9
129.49953	0.8
130.56749	0.8
137.09731	0.9
179.33960	0.8
210.00136	1.8
211.00281	2.0
211.13274	1.1
211.16936	0.7
213.14877	2.6
231.17593	1.2
237.18628	1.0
239.16551	2.6
241.18114	1.0
247.13229	1.3
267.19626	1.1
275.16470	0.8
300.21469	0.8
315.26868	3.1
317.28366	1.1
325.25378	3.8
333.28214	1.1
341.24814	2.0
343.26340	4.4
351.23083	1.2
359.25848	2.9
361.27493	2.8
362.27945	1.1
369.24231	4.7
377.26880	1.3
387.25372	12.3
388.25864	1.1
405.26407	100.0
406.26642	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	406.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	12.0
59.01381	8.3
59.63760	0.9
61.98832	1.8
62.08470	0.9
65.83736	0.7
70.99271	1.4
71.01369	2.2
72.00912	5.1
74.02473	40.0
81.02186	1.1
82.06610	1.4
85.04079	2.0
86.02483	6.6
88.02556	0.8
91.05540	1.3
95.01373	0.9
97.04098	2.7
104.03538	41.5
105.03897	1.1
105.31089	0.9
112.07681	4.0
113.03544	1.0
116.05059	19.6
117.07072	1.9
125.03544	1.7
129.10341	100.0
130.06693	1.1
130.08698	1.2
130.10675	2.3
133.01384	1.1
145.06644	4.1
146.06067	2.2
147.04514	2.5
151.03998	1.3
153.10300	2.6
154.08737	2.6
155.11900	3.4
160.07672	11.0
164.07094	2.9
171.11386	63.7
172.07681	34.1
172.11708	2.2
173.07942	2.2
174.05577	1.3
186.05554	5.4
189.10291	2.1
190.08730	3.4
197.12860	4.7
198.12971	1.7
203.08269	1.0
204.06610	2.3
221.09326	5.4
241.14294	1.2
242.11842	29.9
243.12135	2.9
244.45818	0.8
275.62787	0.9
282.31665	1.0
290.18771	1.5
301.15494	7.6
302.18774	1.4
319.16620	21.2
320.17001	1.4
332.19690	2.6
334.17810	0.8
344.19797	17.3
345.20068	2.4
362.20856	2.1
376.18741	74.4
377.19003	10.0
388.18716	3.1
406.19800	68.5
407.19727	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	407.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82520	1.9
57.00633	1.7
59.01371	10.4
65.99823	2.8
69.50230	6.8
69.50653	5.6
71.01371	4.0
73.04055	5.9
74.65424	1.6
82.02984	11.1
83.01369	2.0
85.02953	2.7
87.86479	1.7
89.02420	4.0
101.02415	4.0
113.02394	2.0
119.03497	1.6
125.92527	1.8
141.16595	1.8
147.04500	2.1
160.07648	2.5
164.03470	4.2
164.07135	5.2
172.10883	8.8
174.05603	2.4
177.10269	3.3
186.05595	3.0
188.07127	4.4
189.03030	3.9
191.04620	2.6
202.08673	4.6
203.08234	2.0
215.04585	2.6
216.05307	6.6
216.06984	2.8
217.02496	4.4
217.06021	10.2
218.06834	2.4
228.06799	2.2
229.05965	9.1
229.12952	2.2
230.03258	3.8
230.06860	2.1
231.07684	13.9
232.08463	3.8
233.42165	1.9
241.06021	2.4
242.03294	3.5
243.04068	18.3
243.07596	4.1
244.04849	11.2
244.09862	10.8
245.09290	7.6
248.09218	2.7
256.04968	5.9
257.05731	16.6
258.06351	5.0
259.07184	43.7
259.10745	6.0
260.07306	2.3
269.09171	2.9
270.07678	1.9
271.07263	25.3
272.07483	4.1
285.08777	4.7
287.10336	77.6
288.08264	3.3
288.10995	3.8
291.09970	10.9
303.09521	2.7
313.08279	100.0
314.08554	9.5
331.09308	50.6
332.09772	3.8
333.19171	2.9
335.08527	2.4
345.10794	7.2
357.07208	1.9
375.08270	18.7
376.08371	2.8
389.09702	4.8
407.10904	50.5
407.19116	24.4
408.11148	5.5
419.17606	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	407.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.0
60.48278	1.2
65.99841	2.4
69.25777	11.9
71.01369	2.8
82.02976	9.6
83.01368	1.7
85.02949	1.5
89.02470	3.1
98.19936	3.1
101.02452	3.3
111.60146	1.4
126.47231	1.3
130.08694	1.6
132.04504	1.6
160.07628	2.5
162.04324	1.6
164.03557	7.2
171.10168	1.8
172.10875	1.9
174.05684	1.8
184.10612	1.5
186.05495	2.2
188.07153	4.4
189.06592	1.7
190.01515	1.5
190.03636	1.9
191.04552	3.0
202.08699	3.3
204.05322	1.7
216.05353	6.7
216.06947	3.3
216.10194	3.1
217.02518	6.6
217.06088	10.2
218.06770	2.9
229.06104	10.9
230.03290	3.7
230.06854	6.0
231.07759	13.5
232.08513	5.0
241.06123	1.8
242.03316	3.2
243.04060	19.0
243.07706	3.2
244.04855	15.8
244.09859	10.7
245.09322	6.0
245.23538	1.6
248.09302	3.2
255.04015	1.4
256.04913	8.0
257.05649	16.4
257.09238	2.2
258.06384	9.2
259.07181	39.9
259.10754	5.8
260.07407	3.7
262.06113	1.6
269.09375	2.8
271.07181	26.9
272.07761	2.5
273.61798	1.4
285.08780	4.0
287.10352	81.0
288.08658	6.8
288.10986	4.2
291.09866	11.3
298.05896	2.1
303.06290	1.6
303.09741	2.1
313.08267	100.0
314.08606	9.7
317.07181	1.5
331.09308	57.7
332.09686	6.0
345.10785	10.0
346.11050	1.7
357.07333	3.3
373.13739	2.1
375.08279	20.9
376.08780	1.6
377.17746	1.5
389.10004	3.5
407.10876	57.9
407.18811	10.9
408.11218	6.6
410.87753	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	407.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39403	1.0
54.81065	1.0
57.03446	5.1
58.11304	0.9
59.01364	2.5
65.24211	1.0
69.76659	6.2
75.00880	1.8
78.95919	1.3
93.03414	1.2
96.96947	1.6
97.06544	2.0
98.20600	2.0
99.08156	42.8
100.08453	1.2
109.02928	2.7
113.99385	1.1
121.02927	2.4
127.07647	29.9
128.07922	1.5
129.05573	80.6
130.05916	3.4
137.02441	27.5
138.03224	89.3
139.04080	9.2
145.08679	2.4
158.35939	1.1
166.77565	1.1
171.06595	8.4
189.07666	100.0
190.07991	6.4
235.09756	15.1
250.10249	1.0
280.95050	1.1
309.20718	1.3
347.15491	3.1
407.17746	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	407.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46707	1.2
57.03448	15.3
59.01377	3.1
61.98823	3.7
69.17496	5.5
69.17924	7.6
70.79534	1.6
82.19249	1.3
90.78609	1.7
93.03483	3.0
97.06604	2.3
98.15053	1.3
98.19926	2.1
99.08151	100.0
100.08497	3.8
108.02164	1.9
109.02930	2.3
120.02196	1.6
121.02934	2.1
127.07648	49.4
129.05574	90.8
130.05873	3.8
137.01447	1.1
137.02425	30.8
138.03221	85.9
139.04066	9.5
145.08682	3.6
153.05565	2.6
171.06621	10.3
189.07668	79.1
190.07962	4.7
195.13867	1.3
235.09758	15.6
236.10092	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	407.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92750	3.1
54.21364	2.9
55.80437	3.6
59.01374	100.0
61.98799	5.6
71.01367	10.1
73.02926	4.1
81.03452	4.3
89.02433	9.6
89.18617	3.4
98.19901	9.5
101.02422	9.4
103.53872	3.3
113.02407	3.6
113.74592	3.7
115.00341	5.2
123.04523	20.3
147.06592	4.8
158.67628	4.0
161.04504	4.7
163.03993	7.8
171.10231	16.1
183.13870	4.3
185.11787	4.6
197.50706	3.1
204.98508	4.1
209.11816	4.8
217.03278	4.0
229.48654	4.2
245.08195	12.0
277.08966	4.7
347.16772	7.0
358.96588	3.7
389.18399	3.8
407.18744	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49627	0.7
59.01378	100.0
60.01715	1.7
61.98817	1.3
69.99342	3.8
71.01382	10.4
73.02925	3.5
79.13331	0.7
83.01403	1.7
85.02960	3.2
89.02461	2.3
99.00932	2.0
101.02446	6.7
113.02448	4.5
116.92911	1.5
120.23479	0.8
129.69666	0.7
146.25044	0.7
151.67888	0.8
158.09360	0.9
159.03081	0.9
161.04562	10.3
161.05756	1.2
173.48119	0.7
197.00122	1.0
207.55011	0.8
209.70840	0.8
215.38539	0.8
347.17093	16.7
348.17532	1.0
363.16885	1.1
407.19556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16471	0.7
57.03457	1.4
58.00605	1.0
59.01379	100.0
60.01718	2.8
61.01814	1.5
61.98836	5.4
67.02448	0.6
69.54622	2.5
69.55044	2.4
71.01381	24.2
72.01720	1.6
72.99314	2.8
73.01793	1.1
73.02948	4.3
75.00861	1.3
83.01398	2.1
85.02953	6.2
87.00871	1.7
87.04546	0.7
89.02444	25.4
90.02798	2.2
91.02897	2.0
93.03444	1.4
95.01396	1.3
96.00938	0.8
99.00890	1.8
101.02448	15.0
102.01989	0.7
102.02758	0.8
113.02445	11.3
114.02789	1.4
115.00390	1.2
115.02887	1.2
116.05096	3.0
119.03510	10.4
120.03858	1.3
121.02980	1.6
121.03890	0.7
123.04542	2.9
128.05093	1.1
131.03571	1.1
133.01453	1.1
143.03525	2.7
149.04578	0.9
150.17699	0.8
151.04004	3.3
156.08183	0.7
158.06145	2.9
159.03018	0.8
161.04532	6.8
162.04865	0.9
165.05562	1.8
167.10783	0.9
179.05597	7.0
183.09184	1.3
186.12279	0.9
201.05510	0.8
245.04538	1.7
245.08339	2.2
275.10522	0.9
289.97009	0.8
347.17090	5.8
348.17621	0.7
363.16797	1.1
365.18372	1.3
372.12756	0.7
407.09995	1.6
407.15311	3.6
407.19797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16991	0.3
59.01375	15.2
61.98848	0.6
69.18356	2.1
69.18778	1.1
71.01381	7.0
72.99323	0.7
73.02957	0.8
83.01413	0.6
85.02957	1.4
87.00863	1.0
89.02440	5.0
93.03460	1.2
95.01405	1.0
98.19810	0.6
99.08158	0.6
101.02427	3.8
105.03474	0.5
107.23205	0.3
113.02454	1.6
115.00372	3.3
116.92892	0.5
117.03460	37.9
118.04268	1.3
119.03576	2.0
119.05022	66.5
120.05368	3.1
121.02951	19.0
122.03294	0.9
123.04523	6.3
127.07657	0.4
129.05551	1.5
129.09293	0.3
133.01424	6.6
133.02936	4.7
134.03786	1.9
135.04529	0.7
140.32814	0.3
145.02948	9.6
153.05765	0.3
161.04553	0.6
162.03238	5.4
163.03999	100.0
164.04332	5.9
165.06776	0.4
169.06596	0.7
176.04774	0.5
177.09232	1.1
179.05634	0.4
182.81961	0.4
185.09683	2.0
187.04187	0.4
187.07658	1.5
188.04698	0.4
202.06445	0.5
203.06895	0.7
205.08762	1.0
229.08647	4.5
230.09001	0.5
231.10321	2.0
247.09752	0.9
249.11357	2.9
293.10385	1.9
349.18707	1.2
353.59793	0.3
409.15012	58.6
410.15335	8.4
410.20526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76498	0.2
59.01379	11.1
66.46692	0.2
71.01378	2.7
73.02924	0.4
82.90379	0.2
83.01405	0.3
85.02950	0.7
89.02444	2.1
93.03456	1.1
95.01318	0.3
96.41550	0.2
98.19843	0.8
99.08141	0.6
101.02444	2.0
105.03429	0.3
105.61372	0.3
110.01962	0.3
113.02451	1.3
115.00396	0.6
117.03462	30.6
118.03665	0.6
118.04282	1.2
119.05024	63.6
120.05357	2.8
121.02952	16.7
122.03263	0.5
123.04513	4.4
124.04854	0.4
127.07619	0.6
131.71512	0.3
133.01447	0.3
133.02960	3.2
134.03738	1.6
135.04509	0.7
145.02950	5.7
149.02426	0.6
152.29477	0.3
153.05615	0.4
162.03221	4.3
163.04002	100.0
164.04337	5.1
185.09706	1.6
187.07545	0.3
203.10782	0.3
229.08698	2.1
231.10350	1.5
237.09680	0.4
247.09747	0.8
254.10242	0.3
275.09259	1.1
293.10303	0.4
409.15002	46.4
410.15369	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	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86810	0.4
59.01377	5.0
62.17006	0.4
71.01380	4.3
85.02947	0.9
87.00876	0.5
89.02444	1.6
93.03457	1.2
98.20708	0.7
101.02432	1.9
111.00876	1.2
113.02470	0.5
115.00368	1.8
117.03462	26.0
118.03658	0.6
118.04359	0.8
119.05022	60.6
120.05379	2.8
121.02950	15.4
122.03272	0.6
123.04504	4.4
133.01436	1.9
133.02954	4.0
134.03754	3.2
135.04526	0.9
145.02954	5.0
149.02422	0.5
162.03227	4.3
163.04001	100.0
164.04321	4.8
175.16331	0.4
178.02722	0.6
179.03412	0.4
185.09673	1.2
202.06276	0.5
203.10789	1.0
229.08694	1.2
231.10234	1.5
247.09615	0.9
275.09238	1.7
293.10339	1.8
409.14999	48.6
410.15311	7.4
428.98328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65460	1.8
55.01871	4.7
57.03440	5.3
58.00571	3.1
59.01381	100.0
61.98823	11.9
70.32623	1.6
71.01385	94.4
71.50591	2.8
72.66527	1.7
72.99294	4.7
73.02952	21.7
75.00875	14.4
83.01389	12.5
83.88461	1.9
85.02455	2.9
85.02953	35.3
86.03290	2.4
87.00874	13.2
89.02444	58.2
90.02823	1.9
95.01379	6.5
97.02943	3.9
99.00885	10.2
101.02448	69.3
101.48846	1.7
108.75416	1.9
109.83208	1.7
113.02453	45.2
115.00335	2.3
119.03518	22.8
127.07689	2.5
129.02020	1.8
131.03488	12.6
143.03502	6.6
143.13031	2.0
147.23685	1.7
147.74683	1.9
149.93831	1.7
159.02972	7.5
159.04408	2.5
161.04550	31.4
161.08189	5.5
163.04012	2.7
175.02313	1.7
179.05621	30.5
209.85216	1.9
221.06670	43.0
225.32945	1.6
229.08694	11.4
230.09058	2.3
237.06146	7.0
247.11765	4.9
263.07678	7.0
349.18454	3.0
409.17059	40.6
410.17270	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	409.2357
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
70.98442	0.6
73.22540	0.3
76.54250	0.3
78.95899	54.4
94.04440	0.3
95.58520	0.3
96.96960	6.4
150.97997	1.7
152.99576	100.0
153.99944	1.8
171.00632	4.1
228.04773	0.3
238.28159	0.3
252.72034	0.3
255.23222	1.5
276.38373	0.3
289.33151	0.4
409.23495	6.5
409.28479	0.4
410.23917	1.1
410.29398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05510	1.2
59.01379	32.0
60.01724	1.6
61.96782	1.1
61.98834	100.0
63.92765	1.1
70.20365	4.2
71.01398	2.6
89.02475	1.5
90.94210	1.2
98.19936	1.6
100.60810	1.3
101.02431	2.6
117.03458	4.0
118.03776	1.3
119.05018	5.8
120.05350	6.4
121.02961	2.7
163.04025	17.3
164.04396	9.7
228.05783	1.3
261.13379	3.8
318.16327	1.5
410.15411	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	411.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90705	10.1
59.01382	100.0
61.98838	76.8
63.94736	11.7
69.29295	10.0
70.77124	27.4
71.01376	57.5
73.02967	12.1
75.00870	16.9
78.95922	17.8
81.61971	13.0
84.88734	11.4
85.02950	18.3
87.00881	12.9
89.02441	59.2
96.96039	16.5
96.96938	35.5
101.02435	27.5
113.02492	27.0
119.03477	23.4
120.65862	11.2
122.03704	26.5
123.04544	24.0
139.59787	10.8
143.77071	11.7
150.03197	18.7
161.04507	36.9
164.04689	11.8
164.70404	11.2
165.05574	55.8
179.05634	55.3
195.06621	18.9
205.05139	21.0
211.06215	13.1
306.07574	12.4
329.08640	11.5
351.05530	26.8
357.11874	18.5
411.10388	27.5
414.23096	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	411.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17160	0.8
57.03427	1.2
58.02977	7.2
58.20356	0.7
59.01377	100.0
60.01720	1.5
60.84522	0.7
61.98827	4.2
69.22921	6.8
71.01376	19.3
71.40958	0.8
73.02943	16.1
74.02463	5.1
83.01383	3.9
83.05048	1.1
84.04551	3.8
84.04996	0.7
84.81675	0.7
85.02950	3.4
86.02518	0.9
87.00861	0.7
89.02443	6.5
92.05077	1.9
95.01363	1.2
97.75408	0.8
98.02475	2.3
98.20735	0.9
99.00890	1.5
101.02439	17.7
110.02485	2.2
113.02441	8.2
116.03530	3.1
119.03523	1.7
125.02460	1.1
128.03520	10.7
130.06728	0.8
131.03757	14.0
132.04587	9.0
137.09691	5.5
140.05075	0.8
143.03497	1.0
144.04544	4.7
146.04881	3.3
146.06158	1.9
149.04547	1.1
157.07710	6.9
158.06110	14.2
161.04494	3.5
163.04001	1.3
175.08745	12.8
189.12839	1.6
199.08809	2.6
201.06729	1.6
205.12300	0.9
217.09813	3.9
219.07747	6.6
243.07764	2.2
249.11226	1.0
261.08777	46.0
262.09192	3.5
325.11954	0.9
367.12979	19.6
367.17282	1.2
368.13489	3.0
411.15936	1.3
411.21143	1.1
411.27444	1.6
411.77463	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37964	0.4
57.03440	1.1
59.01377	100.0
60.01699	0.8
61.98830	6.4
68.72171	0.4
69.03469	0.6
69.34464	3.6
71.01379	15.2
72.99300	0.7
73.02945	13.7
83.01384	3.8
85.02952	3.9
87.00891	0.9
87.39774	0.5
89.02449	5.4
95.01399	1.3
101.02439	12.8
113.02453	6.7
119.03523	1.4
129.05539	0.6
131.03502	0.9
137.09724	4.9
147.04591	0.6
155.03511	0.6
161.04536	3.0
189.12886	0.6
249.11450	1.6
333.68622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	4.4
58.05008	1.1
59.01377	100.0
60.01709	1.3
61.98840	1.4
69.19555	6.0
69.19981	6.3
71.01375	18.4
73.02942	14.3
74.02460	2.3
79.76340	1.3
80.69631	1.2
83.01392	3.6
83.05043	2.0
84.04545	2.6
85.02965	4.2
89.02431	6.9
89.91333	1.3
92.05048	1.5
93.60988	1.3
99.04513	4.0
101.02440	15.0
110.02535	1.9
113.02457	6.9
116.03547	2.2
119.03465	1.7
128.03557	8.1
131.03766	10.8
132.04539	6.4
137.09720	5.4
144.04556	2.2
146.04898	2.1
157.07732	4.5
158.06126	9.9
161.04573	2.5
175.08754	7.8
178.19644	1.2
188.05981	1.4
189.12891	1.2
201.06718	1.7
217.09845	2.7
219.07707	4.9
222.46605	1.3
261.08768	30.9
262.09079	1.9
304.37741	1.3
367.12939	10.6
368.13153	1.8
411.27353	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	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11408	0.8
56.41005	0.6
59.01378	4.7
61.98830	5.3
64.65643	0.8
71.01388	0.7
72.95700	0.8
74.78513	0.8
75.00873	2.2
86.80174	0.7
89.02429	1.0
108.17312	0.7
109.33036	0.8
109.95682	0.8
117.01929	2.2
135.03030	4.2
168.14232	0.7
169.78003	0.8
171.10281	1.4
179.14366	0.8
190.44496	0.9
195.13881	7.6
211.13437	1.5
213.39804	0.9
223.13406	6.8
228.13864	1.2
256.13223	2.6
275.20181	8.5
276.20343	0.9
293.21228	100.0
294.21530	10.4
411.23944	6.9
412.24161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01385	1.7
62.39688	0.3
69.03472	0.4
71.01382	1.1
71.34199	0.6
75.00869	0.5
78.54798	0.3
78.85017	0.3
87.23064	0.3
89.02424	0.6
89.46450	0.3
105.03493	0.3
111.08161	0.7
113.09708	0.4
117.01914	1.3
127.74050	0.3
129.83899	0.3
135.02972	1.4
161.23369	0.3
171.10161	0.4
179.10677	0.3
179.14403	0.8
182.19734	0.4
195.13879	8.8
196.14363	0.9
200.70723	0.3
205.12303	0.5
211.13348	0.5
223.13393	7.1
224.13832	0.5
228.13618	0.9
231.21188	0.4
249.22462	0.3
256.13196	2.1
265.21661	0.9
275.20142	4.8
276.20493	0.7
293.21198	100.0
294.21527	9.9
411.23819	6.5
411.28723	0.6
412.24063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31059	5.0
59.01376	100.0
60.32314	4.6
65.74740	4.5
70.82288	10.6
70.82619	6.1
71.82147	4.4
72.73920	4.5
75.82012	4.5
79.91972	4.5
82.21233	4.6
97.04859	4.2
109.23418	5.0
128.86104	5.0
132.74106	5.3
141.17749	4.7
191.84831	4.5
268.68698	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.54173	4.9
70.51341	5.4
70.51684	14.8
78.95895	9.0
111.26700	4.5
128.20218	5.2
152.99631	11.4
155.00018	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	412.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68233	0.8
56.94980	0.8
58.02988	6.2
59.01377	7.0
61.98816	5.4
70.03001	1.1
71.01390	3.7
71.08807	2.2
72.00908	3.1
74.02476	15.1
82.02997	2.1
83.17706	0.9
84.47436	1.0
85.02956	1.7
86.02496	5.9
86.99075	1.3
87.00873	1.7
87.05641	4.1
89.02460	1.3
90.00179	1.9
90.50304	0.9
97.04073	1.3
99.05644	12.3
100.00429	1.0
101.02467	1.8
101.07210	2.0
102.05612	1.5
105.01932	2.8
109.04111	1.2
112.04059	1.4
113.02481	1.3
118.05111	6.1
119.05028	90.6
120.01280	1.2
123.05644	1.3
124.04061	1.3
125.03564	2.0
127.05186	2.9
128.03551	36.3
129.03917	1.2
131.04607	1.0
135.05667	3.0
141.06709	2.6
143.04626	45.2
144.04968	1.1
145.03210	1.0
145.06183	1.6
146.04619	4.0
153.06708	2.9
160.00719	12.3
161.04579	1.9
163.04013	100.0
166.09897	2.6
167.04616	3.0
167.08221	1.1
177.03317	4.8
179.04614	8.5
181.06235	2.2
185.05716	1.4
192.07886	1.2
197.05679	2.2
202.10509	0.8
203.05119	0.8
210.08810	7.3
242.07898	1.3
251.05589	3.8
254.07872	10.3
272.08878	19.7
273.09006	1.2
288.06595	8.6
306.07645	82.8
307.07965	5.6
325.09277	7.6
409.67813	0.9
412.12283	2.7
413.10892	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	412.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15694	0.4
59.01379	1.2
61.98814	1.1
62.87980	0.3
64.31860	0.4
69.36695	0.4
71.01384	1.4
71.49372	0.5
89.02440	0.8
90.02829	0.4
93.81557	0.3
101.02448	0.9
113.02512	0.4
119.05033	0.6
130.08743	100.0
131.09100	3.8
161.04582	0.7
253.31009	0.4
275.80356	0.4
281.12488	3.4
361.33920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87597	0.6
54.85280	0.5
59.01379	2.3
61.35560	0.5
71.40127	0.8
78.95903	5.8
80.06895	0.5
94.78194	0.4
96.96963	1.1
106.04260	0.8
152.99576	23.9
178.19038	0.5
277.21686	100.0
278.22028	10.7
387.41800	0.5
393.86014	0.5
400.26804	0.5
413.20926	7.2
413.27045	3.5
414.21426	1.4
414.26620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60983	0.6
57.03448	0.7
59.01375	100.0
60.01707	1.5
61.98840	2.9
69.16402	4.1
71.01385	5.3
72.99312	1.5
73.02940	0.9
76.92979	0.5
85.02956	1.1
87.00868	0.7
89.02456	1.4
89.69769	0.5
98.20684	1.2
101.02446	2.0
101.70969	0.5
108.02183	0.6
113.02474	1.3
115.00374	3.4
121.02889	0.6
123.04502	0.7
137.02464	0.7
147.04512	9.7
154.55104	0.5
161.04457	0.6
161.40077	0.5
163.03998	0.6
171.44125	0.5
175.02451	0.7
177.02051	0.7
178.02791	0.8
179.05486	0.6
193.03545	1.2
209.48584	0.5
294.24203	0.5
413.14572	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50539	0.5
59.01377	100.0
60.01696	1.6
60.49393	0.4
63.48301	0.4
64.54234	0.4
70.32775	0.4
71.01371	3.9
71.01662	0.4
71.27048	0.6
71.27378	0.8
73.02955	1.7
77.04371	0.4
85.02963	0.8
89.02440	2.1
101.02457	2.0
103.66969	0.4
113.02469	1.0
115.00364	1.5
119.03522	0.8
122.58551	0.5
123.04519	0.8
127.07653	3.9
130.55888	0.4
151.24252	0.5
159.56197	0.4
168.03929	0.4
189.82278	0.4
213.69852	0.5
327.08768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03457	0.6
59.01375	100.0
60.01711	1.1
66.85458	0.4
71.01376	7.3
71.74322	0.4
73.02945	2.6
83.01389	0.9
85.02941	2.5
89.02470	1.1
99.00897	0.5
101.02464	3.6
106.12585	0.3
113.02438	2.1
115.00364	3.1
117.60366	0.3
119.05014	1.3
123.04563	1.3
161.04562	1.5
163.03999	0.7
209.15544	1.1
231.36534	0.3
327.08621	1.7
328.09311	0.3
353.19843	0.9
371.20737	4.5
372.21176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	1.2
61.98839	1.5
71.01379	6.3
73.02957	1.1
85.02959	1.1
89.02467	1.6
99.00893	0.5
100.00424	0.4
101.02444	2.3
101.22691	0.3
102.80356	0.3
108.59541	0.4
111.00881	0.7
113.02439	1.2
113.14153	0.3
115.00363	4.4
119.03527	0.8
119.05036	2.5
123.04542	1.9
133.01413	0.4
161.04547	0.7
163.04050	1.1
167.06183	0.8
209.07228	1.5
250.97722	0.3
310.08521	0.5
327.08743	2.8
328.08942	0.5
353.19632	0.4
354.10971	0.9
371.20956	1.0
374.03949	0.4
413.22015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	1.1
61.98833	0.5
71.01376	3.4
72.99280	0.4
73.02946	0.5
79.08060	0.4
82.82201	0.4
83.01392	0.8
85.02982	1.2
89.02460	1.2
99.00922	0.6
101.02448	1.9
113.02477	1.4
161.04623	1.0
166.63074	0.4
219.03006	0.5
229.14839	0.5
271.14035	0.5
293.68900	0.4
348.31790	0.4
371.20947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42403	5.0
59.01377	100.0
70.80794	11.1
70.81131	8.2
157.73880	5.5
195.50253	6.1
215.18999	5.3
223.17314	5.1
294.55322	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.22925	3.5
67.45522	3.0
67.94134	3.2
68.48504	3.0
70.25600	6.4
70.25951	8.3
71.23067	3.1
81.18931	2.9
123.96832	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	415.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85989	1.1
58.02964	3.6
59.01381	17.8
61.37683	1.4
70.24095	4.4
71.01379	6.9
73.02956	2.3
85.02930	2.2
89.02474	5.8
92.05070	2.5
98.20632	1.3
101.02446	6.2
113.02431	3.9
116.05066	2.2
118.06628	11.8
119.03509	2.1
122.03719	3.2
128.05057	21.7
131.03780	12.8
144.04546	92.3
145.04868	5.1
146.06113	52.4
147.06464	3.1
149.84946	1.2
161.04555	2.8
172.04012	8.9
183.32799	1.1
190.05086	100.0
191.05389	4.8
201.89874	1.2
210.81989	1.4
239.22627	1.2
249.08775	57.8
250.09074	4.2
255.87956	1.2
295.05951	1.5
312.08633	3.0
371.12302	2.8
415.03244	1.4
415.19543	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74510	0.8
57.03448	15.1
59.01114	1.3
59.01377	18.6
61.98827	7.5
67.01878	1.5
71.01014	1.3
71.01375	19.0
71.50694	1.8
72.99302	1.3
73.02940	1.5
73.04047	2.1
74.02468	9.7
83.01397	1.4
85.02946	100.0
86.03265	1.6
87.00874	33.3
87.05624	2.1
88.04020	6.2
89.02441	8.6
93.03429	1.2
95.01380	1.7
95.04982	1.7
96.00880	1.1
96.95922	0.9
101.02431	9.1
102.05582	3.3
104.03520	4.9
108.02164	7.9
109.02963	9.1
111.00876	38.5
112.01187	1.5
113.02430	4.9
114.05594	1.6
115.00357	13.0
115.08771	11.0
116.07141	1.1
119.03500	5.5
123.04519	51.0
124.04019	1.2
124.04842	1.6
125.02438	0.9
127.05121	1.5
128.03548	9.1
129.01926	9.9
129.10342	5.4
130.08707	1.8
132.02998	1.6
141.10350	1.2
143.11855	3.2
146.03645	1.8
146.04672	1.6
147.02995	16.1
149.09602	1.5
151.03949	1.0
152.01132	8.2
153.01915	5.0
155.11871	3.5
161.02400	1.8
161.04558	6.7
163.03944	1.2
164.04675	1.8
169.09761	1.6
179.03488	0.9
179.07123	4.7
183.14952	1.1
187.10867	1.3
191.10706	3.1
193.05063	4.8
193.13477	1.1
197.12912	2.3
209.08138	1.6
210.16212	1.2
214.15654	2.2
235.06007	1.3
235.09544	1.3
242.18614	2.6
247.08232	6.0
252.02396	1.0
254.18837	1.3
281.19757	2.1
285.09784	6.0
286.17706	1.5
299.20822	2.9
300.19171	1.3
315.07156	1.1
328.22159	1.4
353.25452	3.6
357.08459	2.1
371.18860	1.3
380.17993	2.7
383.09552	2.2
385.24814	7.4
397.14951	2.7
397.20782	3.5
415.12225	35.8
415.21649	11.3
415.25537	12.0
416.12851	4.8
416.21594	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	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40839	0.8
55.01863	2.5
57.03427	2.4
58.00576	3.9
59.01376	100.0
60.01686	1.9
69.03458	4.3
70.65286	2.9
71.01379	71.2
71.83194	0.8
72.01733	1.2
72.99313	6.1
73.02944	8.3
75.00858	2.2
81.03459	2.4
83.01392	5.6
85.02952	16.6
87.00872	14.1
89.02441	84.2
95.01379	4.9
96.93474	0.9
97.02944	8.5
97.27217	1.0
99.00880	4.3
101.02437	63.9
102.02737	1.8
103.00390	0.9
110.33394	1.0
111.00875	1.1
113.02444	27.5
114.02839	1.1
119.03497	26.3
125.02438	14.3
131.03452	4.1
139.04019	1.1
143.03477	11.2
149.04567	3.1
161.04546	11.3
179.05603	27.6
185.04523	2.1
221.06641	6.8
231.65044	0.9
235.08171	11.7
236.08638	1.5
246.13336	0.9
253.09267	7.9
260.17166	0.8
263.07727	3.8
287.07748	2.2
293.09326	0.9
305.08746	1.8
323.09747	1.2
397.13391	1.1
397.24149	1.0
398.95059	0.9
415.14557	90.1
416.14853	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72230	0.6
55.01867	3.5
57.03441	2.1
57.14403	0.5
58.00597	4.2
59.01378	100.0
60.01715	1.1
64.40026	0.6
65.96805	0.6
67.01887	0.9
68.99812	0.9
69.03443	2.9
70.10058	2.4
71.01379	72.8
72.01720	1.2
72.99301	5.6
73.02949	9.8
75.00882	1.3
81.03472	2.1
83.01381	6.4
85.02947	15.5
87.00871	13.4
89.02442	78.0
91.04009	1.4
95.01394	4.4
97.02951	7.6
99.00300	0.6
99.00854	4.1
99.04478	0.9
101.02441	60.0
102.02779	1.4
103.00369	0.8
109.03007	1.0
111.00896	1.4
113.02449	26.4
119.03501	25.3
121.02934	1.0
123.48742	0.6
125.02448	14.6
126.02753	0.7
127.03968	0.7
131.03508	3.4
133.51508	0.6
137.02402	0.6
141.01947	0.7
143.03487	10.1
147.80701	0.7
149.02357	0.7
149.04578	3.1
161.04541	10.8
174.28087	0.6
177.58241	0.5
179.05600	23.6
180.05980	0.9
182.37712	0.7
185.04526	1.8
203.05693	1.2
221.06659	5.3
222.07071	0.6
235.06050	1.1
235.08229	11.6
236.08551	0.8
239.99544	0.6
246.18001	0.6
253.09213	6.4
263.07693	3.5
287.07782	1.9
293.95212	0.6
305.08774	2.0
323.09848	1.5
397.13748	0.9
415.14554	80.4
416.14844	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	415.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.4
57.03435	1.2
58.00580	4.2
59.01374	100.0
69.03453	3.1
69.36136	1.1
71.01376	73.5
71.05608	2.9
72.01724	2.5
72.99296	5.7
73.02946	9.0
81.03428	1.7
83.01386	8.8
85.02943	15.1
87.00874	12.4
89.02436	80.6
95.01402	5.7
97.02921	6.6
99.00877	2.3
99.70846	1.4
101.02435	61.6
102.02801	1.8
108.35722	1.5
113.02445	23.1
119.03492	26.8
125.02435	12.8
131.03485	3.1
143.03491	11.8
145.04028	1.5
149.04495	2.3
160.41022	1.3
161.04541	10.5
179.05615	26.9
185.04547	2.7
212.10786	1.5
221.06648	6.0
235.08171	11.5
253.09294	6.3
263.07687	4.0
277.93005	1.4
305.08713	3.2
415.14578	89.8
415.28345	2.5
416.15131	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29921	1.2
54.89155	1.1
55.01873	1.5
57.03450	3.1
59.01381	41.3
61.98824	1.5
69.03460	3.3
69.47749	6.7
69.48158	1.8
71.01379	31.6
72.99287	2.3
73.02940	2.5
75.42321	1.1
81.03454	12.1
83.01387	2.0
83.05015	6.1
85.02962	8.8
87.00871	5.7
89.02448	17.7
93.03453	2.1
95.01396	3.5
95.05015	2.4
97.06571	1.3
99.00874	1.4
101.02447	16.0
106.62951	1.2
107.05042	3.6
108.02180	4.5
109.02953	11.2
112.85331	1.2
113.02442	11.0
115.00393	3.5
119.03500	8.3
120.05845	3.1
121.02953	4.4
123.00878	1.3
123.04527	1.8
125.06075	2.6
127.04008	1.7
130.08691	1.7
133.01474	1.3
133.06589	4.6
135.04549	6.9
135.08160	11.6
136.05331	1.5
146.03737	37.5
147.04155	2.0
147.08156	5.8
149.09648	3.2
152.01138	4.9
152.04784	1.5
153.01942	1.8
161.02411	3.2
161.04700	2.1
161.06070	11.3
163.11275	10.3
164.04785	23.5
165.05214	1.5
173.09714	10.2
174.09996	1.6
175.11310	1.9
179.07129	65.2
180.07451	5.4
191.10776	54.4
192.11075	3.6
217.08679	12.8
235.09753	21.2
236.09987	2.0
327.08575	1.5
397.15033	100.0
398.15417	13.2
415.16531	27.8
416.16559	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81702	3.0
56.40329	3.2
59.01379	100.0
71.42207	6.5
71.42540	4.6
150.86343	3.8
161.13358	6.8
165.05530	3.3
169.12299	3.6
186.75620	3.3
203.98108	3.4
205.12325	43.6
392.28305	5.2
397.09985	12.3
400.09579	5.3
401.09955	4.1
415.11743	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	415.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98834	7.6
67.20648	3.7
69.45469	3.9
71.01379	6.2
71.50642	5.2
74.17996	4.0
76.28352	4.7
86.15152	4.2
87.52359	3.7
98.97910	3.6
101.02445	4.7
117.03450	8.4
119.05038	4.9
119.14959	4.3
121.02969	6.7
138.95337	5.3
145.02965	23.1
161.13370	8.9
163.03902	6.1
165.05574	6.1
205.12329	44.6
249.11250	6.4
252.47237	4.6
256.18527	4.0
269.21088	4.1
271.07724	4.8
309.13263	5.2
309.20740	9.6
312.07687	5.3
325.08862	6.2
347.25940	7.6
369.07050	4.4
372.09866	8.2
397.27396	18.2
400.09128	6.4
408.92889	4.6
415.11600	34.7
415.24445	13.3
415.28601	24.0
415.34372	11.3
416.11880	7.5
416.29352	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	415.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14719	3.7
50.34275	3.6
56.78419	3.6
59.01376	100.0
69.39834	30.6
86.94090	4.4
96.95983	5.5
115.92087	5.4
123.04528	3.9
125.09725	9.8
129.05553	6.9
130.75758	4.6
161.13286	9.9
171.10298	6.8
205.12329	49.6
243.06696	6.8
300.02814	3.7
309.13406	5.0
329.08157	11.0
357.07440	20.0
384.09900	4.4
385.06912	21.7
400.09448	21.5
415.11743	34.9
416.12268	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	415.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.40692	29.4
98.19868	6.8
116.40911	3.5
161.13371	9.9
176.82434	4.2
205.12323	40.9
229.35014	4.2
291.08707	4.1
309.13495	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48588	1.2
59.01377	100.0
62.97519	1.3
69.68089	8.3
78.94600	1.5
86.96011	1.3
87.67184	1.4
156.30815	1.2
321.21884	1.6
357.69281	1.6
415.32169	2.1
430.77213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.78832	14.2
84.66256	2.9
97.69769	2.5
195.48096	2.8
351.95282	3.4
401.83600	3.4
415.32123	27.9
416.32422	4.3
418.46771	2.9
431.72214	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3216
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01386	0.2
70.65643	0.6
72.23882	0.2
102.87442	0.2
177.73444	0.2
185.05402	0.2
260.84998	0.2
273.45245	0.2
274.70212	0.2
343.67935	0.2
415.32175	100.0
416.32489	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	417.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.2
60.01701	0.6
69.38931	1.0
69.39336	3.1
71.01381	29.8
72.01713	0.5
72.99299	3.3
79.57019	0.5
83.96026	0.4
85.02947	1.4
87.00883	1.1
89.02448	3.0
93.03452	1.9
100.13605	0.4
101.02422	1.2
108.02122	0.5
113.02439	0.9
115.00372	55.9
116.00708	1.2
119.03474	0.5
123.04505	0.6
124.97779	0.4
133.01430	100.0
134.01750	3.2
149.06099	2.9
153.05620	0.9
161.04572	0.9
161.06059	0.6
182.07373	3.7
183.08057	0.6
195.08191	1.5
196.08751	0.6
197.09711	31.0
198.10059	2.6
211.07735	0.5
211.11252	4.6
212.11964	0.6
213.12793	0.6
227.10811	2.5
229.73001	0.5
234.25684	0.5
245.11787	2.1
253.05083	0.8
255.06593	1.5
255.10252	1.6
257.11865	2.9
301.10797	52.6
301.42859	0.5
302.11124	5.7
337.53308	0.5
417.11990	3.8
417.20999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.3
70.45878	1.5
71.01380	32.3
72.99317	3.8
81.55676	0.6
87.00883	0.9
89.02436	3.8
93.03445	1.9
113.02436	0.8
115.00369	54.1
116.00738	0.7
133.01427	100.0
134.01775	2.1
149.06093	3.2
161.04565	0.6
182.07362	4.5
195.08104	1.8
196.08855	0.8
197.09702	33.1
198.10072	2.9
211.11194	4.7
227.10829	2.5
232.97607	0.6
245.11826	2.3
255.10175	0.7
257.11829	2.7
271.53571	0.7
301.10779	54.4
302.11154	5.7
329.99954	0.7
334.04813	0.8
417.21097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03442	2.2
58.20009	1.3
58.64555	1.4
59.01377	71.8
60.01706	1.5
61.98826	2.7
71.01376	53.3
72.99312	5.4
73.02924	4.6
77.89375	1.3
83.01367	4.6
85.02944	9.2
87.00884	2.7
89.02446	21.5
93.03438	1.7
99.00893	2.1
101.02445	18.6
113.02438	10.4
115.00368	54.0
119.03482	6.1
121.02900	1.7
133.01433	100.0
134.01752	3.0
149.06070	4.8
161.04539	7.1
178.81902	1.5
179.05614	2.0
182.07378	3.3
197.09721	34.2
198.10100	3.3
211.11206	5.2
227.10796	2.8
229.04752	1.9
240.04277	2.9
245.11632	1.9
255.06747	2.1
255.10123	1.5
257.11853	7.4
301.10831	22.3
302.11032	2.4
363.44919	1.7
417.21191	6.4
417.25418	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74910	1.2
59.01376	100.0
60.01723	1.2
61.86244	1.1
71.01377	48.3
71.50657	1.5
71.51061	1.7
72.99303	4.6
73.02944	4.7
74.02456	3.3
74.22243	1.1
76.19759	1.2
77.19701	1.0
85.02947	5.0
89.02427	7.0
93.03455	5.2
95.01357	2.0
101.02428	9.1
108.02162	1.5
109.03004	1.2
113.02445	5.1
115.00365	54.3
116.00689	1.4
118.22292	1.1
119.03497	3.1
127.07670	1.4
128.53601	1.3
133.01424	84.4
134.01723	1.6
140.54294	1.1
147.04535	1.3
149.06062	13.6
151.07416	1.2
151.11238	1.3
161.04564	2.8
175.14867	2.0
182.07335	12.6
195.10219	2.3
197.09703	96.1
198.06903	1.5
198.10001	7.8
199.11414	1.3
211.11275	16.3
212.11836	2.1
213.12935	2.1
227.10721	8.3
230.05836	1.4
237.14966	2.9
239.03513	2.1
240.04248	9.2
245.11845	8.5
254.05809	1.5
255.06593	11.5
257.11810	27.9
257.14511	1.8
258.12027	2.4
301.10818	34.6
301.14273	1.8
302.11163	3.8
318.48987	1.3
399.20444	1.6
416.26355	2.5
417.12210	3.7
417.21295	35.2
417.26431	3.5
418.21567	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	417.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91669	0.8
56.46196	0.7
57.03445	1.6
58.25478	0.9
59.01377	7.7
61.98817	1.8
70.47459	1.2
70.47800	1.6
71.01382	2.6
72.26511	0.8
73.02937	0.9
77.45975	0.9
85.02946	1.2
89.02444	3.0
99.08143	11.1
101.02457	1.9
101.06033	0.7
108.02161	5.8
123.04508	4.0
127.07652	14.8
129.05579	48.5
130.05887	2.2
130.72218	0.9
143.08667	1.0
145.08694	1.3
149.05981	1.0
161.04477	1.4
171.06587	3.3
177.01901	1.3
189.07675	100.0
190.08008	5.3
195.13710	1.0
216.18390	0.8
224.04836	1.8
225.05540	2.0
225.14864	1.0
237.05632	1.4
277.04980	2.0
278.05692	2.1
293.08182	2.0
315.06738	1.9
316.07303	1.9
343.06158	2.4
343.24921	7.8
344.06567	1.4
357.46915	0.9
358.08289	1.5
359.09137	6.8
387.08603	2.6
389.63354	0.8
401.06186	1.1
402.06763	0.9
402.11172	8.1
417.09140	3.7
417.14133	12.9
417.21616	2.2
418.14090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
53.88582	0.9
55.01874	1.3
56.56915	0.9
57.03449	2.7
58.00585	1.9
59.01381	72.1
60.01698	1.1
66.73976	1.0
68.53984	0.9
69.93172	4.3
71.01382	26.5
72.99312	2.2
73.02927	1.4
83.01379	2.2
85.02947	7.2
85.06597	1.6
87.00887	1.0
89.02442	25.7
95.01390	2.7
101.02440	19.2
111.04501	2.6
111.08167	6.3
113.02454	11.3
119.03493	11.6
137.06027	1.1
151.11267	1.6
152.62044	1.0
161.04494	1.4
175.11325	1.5
177.09254	1.2
179.05656	1.4
193.12332	23.7
194.12708	1.9
211.13368	4.0
237.11307	31.2
238.11647	3.3
252.24365	1.0
373.18710	11.6
374.19153	1.5
417.17633	100.0
418.17932	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	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	0.8
61.98843	2.6
66.20521	0.5
69.41122	3.8
71.01380	3.6
72.99293	0.7
83.01402	0.7
83.05038	1.0
85.02962	0.9
89.02463	1.9
90.72732	0.5
94.40869	0.5
101.87070	0.6
105.01923	1.0
111.08116	4.6
112.39789	0.6
113.02431	0.9
115.00372	4.3
125.09691	4.6
133.01428	5.3
140.56313	0.5
157.08696	0.6
173.08205	4.2
187.09775	4.9
197.09741	2.2
226.31369	0.6
247.11932	1.0
255.68250	0.6
261.13419	0.6
263.27188	0.6
301.10785	3.9
334.49557	0.7
417.09247	0.9
417.21124	8.0
418.21518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01378	100.0
60.01722	1.1
61.98840	1.5
71.01379	3.9
71.50211	0.8
73.02962	0.7
81.80279	0.7
83.01394	0.7
83.05032	1.1
89.02464	2.1
96.96010	0.7
99.00896	0.7
99.08172	2.3
101.02467	0.9
105.15942	0.6
111.01678	0.6
111.08144	5.9
112.16840	0.6
112.98831	2.0
115.00360	5.2
121.02953	1.1
125.09715	4.6
127.07677	1.4
129.05592	2.1
133.01404	9.4
138.56622	0.6
142.99902	0.8
149.06009	0.8
161.06171	1.0
173.00974	1.4
173.08199	4.1
175.07700	1.0
181.55954	0.6
187.09779	3.8
197.09729	2.9
219.06659	1.9
225.05402	0.7
243.06786	1.1
245.08199	3.2
247.11986	1.6
261.13522	1.0
269.28754	0.6
301.10806	3.3
390.93140	0.7
417.08566	1.6
417.21307	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75137	0.9
55.01876	5.1
57.03450	5.2
58.00587	2.3
59.01377	62.9
60.01711	0.8
63.44272	0.8
69.03452	1.5
70.41966	0.8
70.85412	1.1
70.85736	1.3
71.01380	100.0
72.99303	3.7
73.02944	22.0
75.00882	1.5
80.15116	0.8
83.01378	11.0
83.42020	0.9
85.02947	36.2
87.00861	4.5
87.04551	1.9
89.02440	38.1
95.01402	6.6
97.02959	1.8
99.00884	10.0
99.04462	0.9
101.02441	64.9
102.02789	0.9
109.35080	0.9
113.02449	37.7
119.03493	15.5
119.53160	0.8
125.02447	1.9
131.03499	1.2
133.01451	1.1
143.03491	6.1
149.04593	1.1
159.02988	8.7
161.04547	44.7
162.04922	1.4
179.05605	5.1
197.09651	1.3
255.19682	2.5
260.54947	0.8
322.52896	0.9
417.25043	34.3
418.25070	4.0
442.37277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13627	0.5
55.01880	6.3
56.40051	0.4
57.03448	5.7
58.00584	2.6
59.01379	53.9
59.60176	0.5
69.03455	1.0
69.20083	4.3
71.01382	100.0
72.01717	1.9
72.99322	3.1
73.02945	25.3
75.00869	2.0
81.03457	0.5
83.01387	11.2
84.02158	0.7
84.62361	0.5
85.02950	43.9
86.03278	1.0
87.00884	4.0
87.04525	2.6
89.02446	31.1
93.16915	0.5
95.01391	8.0
97.02952	2.2
98.19942	1.0
99.00886	12.2
99.04489	0.6
101.02442	58.0
102.02769	1.0
111.00880	1.7
113.02448	39.9
114.02812	1.0
119.03498	12.0
125.02447	2.0
127.07715	0.5
129.01965	1.7
131.03534	1.5
143.03497	4.2
149.04562	1.0
153.05580	0.9
159.02977	8.2
161.04553	47.5
162.04886	1.4
179.05644	3.0
183.04509	0.6
205.03581	0.9
211.03967	7.2
239.03503	5.5
240.04263	36.7
241.04564	3.1
254.05934	2.4
255.06610	45.6
255.19661	2.1
256.06879	4.1
259.00922	0.5
297.20706	0.8
417.12653	6.8
417.20834	7.7
417.25082	21.2
418.12601	1.0
418.25980	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	418.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.1
61.98829	100.0
69.74266	2.3
70.51300	7.7
71.01375	6.6
73.13580	2.4
85.02968	2.1
89.43183	2.2
98.19888	2.7
101.02451	3.8
113.02467	2.8
128.03500	2.7
140.02287	2.3
198.12363	2.3
207.63509	2.2
218.10837	2.3
269.10385	4.0
283.98477	2.4
299.57941	2.2
357.26639	2.4
419.19357	3.5
430.30243	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	419.0769
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
59.01381	3.8
61.98823	4.2
71.01359	0.8
71.50592	1.0
74.34137	0.6
134.44035	0.6
197.02415	0.8
211.04025	6.4
211.26068	0.6
218.62122	0.7
224.01126	2.0
225.01884	3.8
233.06085	1.1
237.01985	1.0
239.03424	5.5
240.04269	11.0
241.04860	1.6
248.04793	0.9
252.00571	7.7
253.01389	2.9
254.19160	0.6
256.07236	1.0
257.08179	1.3
261.05475	2.6
267.02963	0.6
268.03775	4.6
269.03949	0.8
272.04785	0.8
275.03433	0.9
276.04211	0.7
277.05099	2.1
283.06097	17.0
284.06412	1.5
286.06277	0.7
287.03546	2.3
288.04086	1.8
289.05118	6.0
290.05640	0.8
301.05042	2.5
303.02963	2.6
303.06204	0.7
304.03674	1.4
305.04556	5.3
315.02887	3.6
316.03589	4.2
317.04486	1.7
319.02527	0.8
319.06058	1.3
320.03342	1.2
321.03763	1.0
329.04416	1.4
330.05316	1.2
331.02518	1.1
331.05914	3.0
332.03323	3.0
333.04001	11.3
334.04324	1.0
343.02423	6.3
344.03030	1.5
345.03873	2.3
347.05548	2.2
348.02512	0.8
348.06369	7.5
358.05014	4.0
359.05518	5.4
360.02649	1.0
361.03482	19.1
362.03992	3.3
363.08746	1.0
371.01877	1.7
373.02820	0.9
373.07129	5.6
375.05045	9.5
376.05847	5.3
377.06409	0.8
389.02939	5.8
390.03214	1.3
391.08203	24.9
392.08655	3.8
392.72180	0.6
403.04703	5.5
404.05173	1.9
419.07690	100.0
420.08038	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	419.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
59.01112	2.7
59.01384	32.3
61.98832	87.0
71.01386	14.4
71.50592	2.4
71.50960	1.9
73.02933	3.1
75.00862	2.3
77.84551	1.9
84.59354	1.8
85.02940	5.8
89.02443	12.3
101.02458	8.6
106.06627	100.0
107.06987	4.3
113.02464	7.8
118.06623	3.3
119.03512	3.7
135.81602	1.9
145.56339	1.8
150.05609	90.2
151.05934	6.3
152.03543	3.7
164.07167	13.5
180.05830	2.1
190.06366	3.5
192.06670	9.6
194.04591	18.9
196.05304	6.3
208.05438	2.5
213.55821	1.9
214.06337	5.3
224.04779	24.3
225.05440	6.0
239.07179	19.8
241.04993	4.2
242.05865	51.5
243.06317	2.8
257.08194	74.2
258.08456	6.5
281.09247	2.3
296.07745	6.1
313.21655	1.9
348.61826	2.1
356.09866	51.5
357.10208	8.6
389.16016	8.6
419.13760	2.2
419.19046	8.3
419.23550	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	419.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00588	1.3
59.01379	44.9
61.98832	10.6
65.82368	0.9
69.62430	4.8
71.01385	24.9
72.99317	2.3
73.02958	1.1
81.25362	1.2
83.01396	1.7
85.02947	5.9
87.00861	3.7
89.02443	29.4
95.01408	1.6
101.02431	16.2
102.02779	1.3
113.02435	11.1
119.03493	15.7
121.02984	1.8
127.07672	1.9
134.03598	0.9
143.03490	1.8
153.05594	5.5
154.05873	1.4
155.06114	1.3
161.04533	1.7
171.57703	1.1
180.05731	1.5
196.05276	38.7
197.05684	3.7
207.04533	10.9
209.44290	1.0
213.05521	1.8
224.04767	81.5
225.05174	8.2
239.07108	100.0
240.07516	11.1
241.04980	1.4
241.07289	2.1
242.05673	3.5
256.07413	2.6
257.08176	16.9
258.08548	1.7
419.13495	12.8
419.18704	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	419.1342
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01377	3.8
61.98832	0.6
69.14002	1.4
69.14433	1.4
71.01376	2.4
73.02915	0.4
78.49567	0.3
85.02953	0.9
87.00842	0.4
89.02431	1.6
99.00814	0.4
101.02446	1.5
113.02449	1.8
116.37981	0.3
119.03522	0.5
127.04020	0.6
133.64986	0.3
136.07716	0.4
143.05022	0.7
146.14490	0.3
161.04478	0.4
166.32552	0.3
167.04965	0.8
169.06555	0.9
179.05617	0.4
185.06020	0.6
190.78944	0.3
195.04512	1.0
196.05196	0.3
211.04013	0.4
213.05550	33.3
214.05896	2.6
224.04736	0.7
225.05544	0.6
226.06453	0.6
227.07086	0.6
239.07156	2.1
240.04181	1.8
241.05038	100.0
242.05566	12.1
243.06355	0.9
254.05785	0.6
255.06589	7.9
256.07379	66.1
257.08035	17.6
258.08493	1.3
269.08124	0.3
279.06485	0.6
297.07660	1.0
327.08563	0.4
375.20200	0.6
401.18057	0.9
404.11050	0.8
419.13370	10.4
419.19067	3.0
420.13644	1.8
420.19058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Rhaponticin
Peak:m/z	Relative Intensity
59.01381	3.9
61.98876	1.1
70.28188	0.3
71.01440	1.2
71.08941	0.7
72.05059	0.4
75.79817	0.3
85.02979	0.7
88.98856	0.5
89.02505	1.3
98.81163	0.4
101.02519	0.8
113.02524	0.7
115.00443	0.4
119.03510	0.5
169.06529	2.9
171.04546	1.5
185.06033	2.9
197.06071	0.6
198.06709	0.7
199.04018	1.4
212.04787	0.6
213.05574	24.6
214.05916	1.5
225.05511	0.6
226.02766	2.0
227.07094	0.5
239.07140	0.4
240.04320	2.5
241.05060	100.0
241.07190	5.1
242.05484	11.0
242.08066	1.3
243.08766	0.5
245.80489	0.4
254.05858	0.6
255.06630	9.6
256.07391	79.5
257.07898	11.5
257.10611	0.8
285.09909	0.7
299.09247	0.8
326.27875	0.4
327.08743	0.6
375.20163	1.2
404.10599	0.6
419.13358	41.1
420.13821	6.0
420.19489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	0.4
59.01372	7.9
61.98820	5.4
71.01374	3.7
71.50600	0.5
72.99291	0.4
73.02889	0.8
83.63641	0.4
85.02895	1.7
89.02372	1.3
95.01354	0.6
101.02422	2.2
113.02378	1.6
115.00324	0.6
119.03403	0.5
150.05563	0.6
151.03986	1.1
161.04498	0.7
169.06601	3.1
171.04474	1.6
185.06065	4.9
189.05617	0.5
199.04016	0.8
212.04861	0.4
213.05548	23.8
214.05884	2.0
224.04794	0.6
227.06990	0.7
240.04202	1.2
241.05037	100.0
242.05447	10.0
254.05835	1.4
255.06618	2.3
256.07382	55.4
257.07864	7.2
281.09378	1.3
313.72256	0.4
359.17038	1.6
364.94955	0.5
377.18204	1.2
404.10684	0.5
419.13599	35.8
419.19250	5.9
420.13943	4.3
420.19241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1348
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
55.13401	0.2
57.03444	1.0
59.01379	0.5
61.76971	0.2
63.02409	0.3
65.00314	1.0
71.01413	0.2
81.03456	5.2
83.01388	2.0
91.16028	0.2
93.03445	0.2
98.20739	0.5
101.18738	0.2
107.01399	1.3
109.02970	0.5
121.02960	0.5
122.03749	3.1
124.01666	0.3
125.02449	9.3
126.02757	0.2
131.05006	0.5
143.08583	0.3
147.08136	0.5
149.02441	1.1
149.06119	0.4
151.00381	2.4
152.01096	0.2
153.07048	0.4
155.05037	0.4
156.05824	1.3
166.02684	0.5
167.03438	0.3
167.08704	0.2
169.06563	1.8
170.07201	0.2
171.08151	2.2
173.06065	4.4
174.06245	0.2
185.06081	0.5
190.02684	0.5
194.44016	0.2
195.08138	2.5
197.06079	0.4
211.07693	0.5
213.05956	1.7
213.09204	15.2
214.09586	1.4
229.52028	0.3
239.04785	0.4
239.07137	5.8
240.07440	0.8
241.05046	5.7
242.05801	3.7
243.06326	0.3
253.08578	0.2
255.06766	0.3
256.07361	2.1
257.08185	100.0
258.08521	8.2
281.08304	0.7
299.09271	0.6
316.22809	0.2
419.13440	7.2
420.13754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92118	0.9
59.01381	11.9
61.98826	16.2
70.85762	0.9
71.01375	5.0
72.77460	1.1
73.02927	1.0
81.03453	2.2
85.02919	1.8
87.59864	1.1
91.01879	1.9
91.05593	1.0
93.03433	1.1
98.03989	0.8
98.20672	2.7
101.02432	2.2
108.02171	1.8
108.04546	3.0
113.02424	1.3
122.02924	1.3
122.03746	20.5
125.02363	1.6
137.02359	1.2
159.04402	1.0
161.04553	1.1
169.10240	1.5
171.08157	8.1
213.05602	3.3
213.09209	100.0
214.06331	2.4
214.09570	8.7
227.03528	1.1
239.07124	8.1
241.05069	16.5
242.05836	66.0
243.06107	5.3
256.07297	4.9
257.08182	67.3
257.32928	1.2
258.08481	6.1
393.37259	1.0
419.13446	70.3
419.22015	8.2
420.13831	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	419.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
60.90756	0.2
69.38160	0.2
69.76684	1.4
71.01407	0.8
89.02439	0.4
101.02460	0.7
113.02467	0.4
119.03501	0.4
143.05060	0.4
148.85898	0.2
169.06566	3.1
170.06729	0.2
171.04501	1.8
185.06071	3.6
186.06425	0.4
189.05617	0.4
196.05276	1.0
197.05997	0.3
198.06670	0.4
199.04025	1.2
211.03972	0.4
213.05547	24.4
214.05870	2.1
224.04750	2.9
225.05443	0.8
226.06245	0.2
227.07166	0.6
239.07091	2.4
240.04300	0.8
241.05037	100.0
242.05530	11.1
242.08203	0.4
243.06113	0.2
253.05052	0.4
254.05789	0.9
255.06596	2.5
256.07373	55.0
257.07959	7.9
258.08466	0.4
267.06302	0.2
292.43326	0.2
327.08646	0.3
367.88138	0.2
387.10834	0.5
404.11316	0.2
419.13376	34.7
420.13745	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	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
61.77580	0.3
67.42882	0.3
69.22081	2.2
75.13593	0.3
88.48034	0.3
92.32893	0.3
130.02255	0.3
132.80266	0.3
134.51361	0.3
179.24339	0.3
197.06006	1.6
198.06694	0.3
199.03999	0.7
212.04752	1.1
213.05551	6.2
214.05888	0.5
226.02701	6.0
227.03113	0.6
240.04254	5.5
241.05026	48.3
242.05380	4.7
255.06601	24.0
256.07370	100.0
257.07825	11.7
269.08063	0.4
278.03195	0.4
299.09213	2.4
311.09207	1.2
419.13412	42.3
420.13779	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65265	0.4
53.59037	0.5
59.01379	7.6
59.60093	0.5
69.83540	1.5
69.83952	1.0
71.01356	0.8
77.46000	0.5
87.04516	6.6
93.03429	0.6
100.71272	0.6
102.74789	0.5
108.02165	5.3
121.02956	5.8
122.03735	8.2
123.04563	3.1
124.01610	0.9
132.02164	0.6
136.05302	2.7
137.02423	1.6
148.01610	0.6
149.02429	7.2
150.03238	5.4
153.88850	0.6
154.02704	1.9
164.04787	1.9
165.05525	3.4
168.04279	0.6
195.06537	0.6
197.06053	1.8
209.06059	1.7
210.06749	1.4
211.07660	1.0
223.03947	0.8
223.06018	0.7
224.04793	0.7
225.05539	5.3
226.06348	2.1
227.06958	0.6
237.05565	1.9
238.06331	9.9
239.07104	19.1
240.07884	36.8
241.08257	2.9
253.08691	7.5
253.69720	0.5
254.08997	1.0
255.10323	1.4
257.08035	0.9
265.05035	1.7
266.05820	49.3
267.06555	27.2
268.06931	3.0
271.58926	0.5
277.10715	1.0
280.07437	1.2
281.08191	14.2
282.08441	1.5
295.09665	0.9
343.09744	0.8
359.09238	0.6
371.09140	2.4
386.11658	2.1
389.09949	1.1
389.14639	0.6
401.13818	2.5
404.12552	3.3
419.14969	100.0
420.15311	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	419.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14880	0.4
52.34641	0.5
55.56987	0.5
59.01377	8.2
60.00275	0.5
61.98824	1.5
70.51035	1.1
70.51370	0.6
71.01396	0.6
87.04513	4.1
89.42931	0.5
93.03457	1.1
108.02177	4.4
113.02435	0.8
121.02966	7.0
122.03745	8.7
123.00909	0.8
123.04582	2.6
124.01669	1.5
135.04524	0.9
136.05313	2.6
137.02461	1.5
149.02434	6.9
150.03198	5.8
154.02766	2.5
164.04816	2.1
165.05597	4.7
168.04265	1.3
195.06543	0.7
197.06035	3.2
209.06125	1.4
210.06764	0.9
211.07571	1.5
223.06075	1.6
224.04672	0.9
225.05545	5.0
226.06279	1.5
237.05516	2.4
238.06310	11.0
238.08572	0.9
239.07117	22.1
240.07890	37.5
241.08281	3.7
251.07047	0.6
253.08710	7.9
254.09166	1.0
255.10214	1.4
257.08163	0.8
265.04987	1.5
266.05829	51.5
267.06564	24.2
268.06934	1.9
277.10764	1.4
280.07416	1.4
281.08154	12.5
282.08490	1.2
295.09790	0.9
344.10492	0.6
371.09247	2.7
374.11499	0.9
386.11490	2.7
389.09851	0.8
389.14246	1.3
401.14047	3.5
402.14349	0.6
404.12598	2.9
419.14987	100.0
420.15359	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	419.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.5
59.01375	15.4
61.98837	9.2
69.03443	1.5
71.01373	4.1
78.69469	1.2
87.04514	3.8
93.03428	1.6
98.19780	2.4
100.00394	2.5
101.02452	2.2
108.02169	3.8
120.16369	1.2
121.02959	10.1
122.03709	2.6
123.04537	3.2
128.46284	1.5
136.05301	1.8
145.02873	1.7
149.02429	13.0
150.03232	10.2
164.04788	5.5
165.05528	5.1
169.98114	1.1
195.06505	2.6
197.06105	3.0
208.05289	2.6
209.06071	2.4
210.06859	2.0
211.07629	1.3
213.05568	2.2
215.16492	2.3
223.06061	2.3
225.05576	3.1
226.06134	2.2
237.05554	5.3
238.06351	10.9
239.07092	18.7
240.07916	19.3
241.08200	2.2
251.07224	1.8
252.07642	1.3
253.08658	9.4
266.05899	7.9
267.06607	19.4
268.07220	4.6
272.06860	3.0
280.07245	4.3
280.10172	1.5
281.08142	4.6
283.09744	16.2
284.10220	2.3
295.09720	1.9
297.09189	1.8
303.10202	2.5
313.08694	2.5
315.10257	3.9
316.74182	1.3
323.07059	2.6
325.08453	2.0
327.09958	1.9
329.08112	2.3
330.09009	12.3
331.09695	15.6
332.09985	2.5
341.08142	2.0
343.09647	14.2
344.10138	3.0
345.11249	10.5
354.08890	1.9
355.09839	2.2
356.10709	1.6
358.08420	5.2
359.09229	39.7
360.09631	5.7
370.12003	2.0
371.09207	16.3
372.09464	2.9
373.10791	18.1
374.11530	49.5
375.11951	7.0
376.00464	1.3
377.21680	5.4
385.10641	6.4
386.11554	29.5
387.11755	4.0
388.12997	8.7
389.13925	100.0
390.14301	11.3
401.13910	50.5
402.14288	8.5
404.12607	2.9
419.14969	67.1
419.22711	7.1
420.15314	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	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01377	100.0
69.93160	2.7
69.93566	1.6
71.01382	24.4
72.99307	1.4
73.02939	3.6
83.01363	2.5
85.02943	8.0
87.00887	1.7
89.02439	17.8
95.01400	2.0
98.20723	1.0
99.00855	1.3
101.02433	15.6
112.13213	0.9
113.02432	7.7
115.55807	0.9
119.03501	6.7
122.24281	0.8
143.03540	0.8
161.04565	6.9
179.05623	1.6
195.13895	10.4
213.14917	3.4
265.66519	1.0
269.37546	0.9
359.17038	11.4
360.17734	1.0
375.20212	21.6
376.20377	1.9
401.18051	1.7
419.19202	53.0
420.19614	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
70.91099	0.7
73.53114	0.3
75.58228	0.3
78.95903	54.3
96.96011	0.4
96.96961	6.5
111.59695	0.3
117.03490	0.5
118.95102	0.2
141.93307	0.3
146.25079	0.3
150.98030	2.1
152.99580	100.0
153.99945	1.7
171.00659	4.2
181.76845	0.3
184.93062	0.3
265.21698	0.8
368.40527	0.3
419.22073	4.9
420.22382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	87.5
60.46235	19.0
61.98819	42.7
67.58622	21.1
71.01376	68.0
71.50562	23.5
73.02934	23.4
78.61476	20.2
81.14204	19.7
83.10539	20.1
85.44982	19.0
97.61531	19.8
101.02436	22.6
150.03195	21.1
213.39626	20.1
215.16454	56.2
239.07115	30.8
241.05016	24.5
255.06580	23.5
343.09314	20.7
359.20627	100.0
377.21796	91.6
419.14401	68.3
419.23557	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	72.3
61.98817	45.2
71.01381	42.9
71.50703	20.0
75.15260	15.6
75.91668	12.7
85.02950	22.7
150.03157	31.9
151.74043	14.4
165.05482	22.5
169.92061	14.5
200.01297	16.1
215.16483	53.2
224.04791	16.9
239.07103	26.0
256.07401	26.5
357.36935	16.9
359.20697	100.0
377.21576	77.8
390.54520	15.3
404.11975	20.0
419.14697	48.4
419.23215	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99861	22.9
57.38766	24.1
59.01368	100.0
61.98816	37.2
65.73779	20.4
71.50604	25.6
71.50974	26.3
80.40046	24.0
88.98804	69.9
92.78925	23.2
159.08537	23.0
161.02478	29.3
171.90147	22.4
195.43596	25.1
213.09193	28.5
241.05042	25.6
252.30769	25.6
254.05815	29.0
257.08011	39.7
269.08276	45.9
419.15173	44.2
419.20258	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99861	22.9
57.38766	24.1
59.01368	100.0
61.98816	37.2
65.73779	20.4
71.50604	25.6
71.50974	26.3
80.40046	24.0
88.98804	69.9
92.78925	23.2
159.08537	23.0
161.02478	29.3
171.90147	22.4
195.43596	25.1
213.09193	28.5
241.05042	25.6
252.30769	25.6
254.05815	29.0
257.08011	39.7
269.08276	45.9
419.15173	44.2
419.20258	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82093	27.1
59.01366	55.8
60.47213	22.2
61.98825	52.4
69.60786	35.2
69.61192	95.0
73.59348	21.9
73.80101	22.5
80.96523	36.6
85.23520	22.0
86.46332	21.4
89.86239	21.1
89.97215	20.8
134.48601	21.5
150.03180	46.0
165.05528	67.1
179.42795	21.6
253.08620	27.6
337.21814	23.8
419.14755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96861	0.5
59.01377	66.3
60.01717	0.8
61.98826	1.1
69.69471	0.9
69.69877	2.0
71.01387	0.6
85.02945	0.6
87.04512	100.0
88.04847	2.2
93.03483	0.6
98.20655	0.7
99.08205	0.5
101.02470	0.6
113.02399	0.7
121.02941	0.5
134.79517	0.5
168.67513	0.4
169.82816	0.5
171.04501	0.7
214.09879	0.5
219.89261	0.5
239.07097	0.8
240.07869	0.8
241.04860	0.6
267.06628	0.8
374.07526	1.4
377.21613	1.0
389.10162	0.7
404.12317	1.6
419.08005	0.5
419.14578	4.5
419.22531	1.4
420.15402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63915	78.4
58.68401	71.5
71.50259	100.0
72.96946	64.4
96.95979	93.9
169.85753	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07805	0.9
57.03437	2.3
59.01377	5.4
61.98812	1.6
62.94263	0.9
63.96940	1.0
65.03951	3.7
66.70639	1.1
69.03417	1.5
70.13612	4.4
76.82791	1.0
83.05019	1.9
91.05534	2.6
93.03431	1.0
95.05019	1.5
97.06576	3.5
103.07548	1.1
105.07072	1.6
109.06584	1.5
115.05492	2.0
118.67963	1.0
121.02863	1.1
123.08144	2.1
125.09718	17.1
133.10316	2.3
150.03220	13.4
153.09209	1.4
165.05551	10.8
172.01674	1.0
185.11769	1.5
187.14920	15.9
188.15269	1.4
205.15936	1.4
209.11803	4.3
213.12778	3.7
231.11601	2.1
231.13879	31.6
232.14175	2.2
232.57944	1.1
233.15450	1.1
249.14967	13.3
250.11897	1.5
256.07532	1.6
339.23132	2.9
357.24454	2.9
383.22107	5.4
391.24832	2.3
401.23270	100.0
402.23697	14.9
419.14883	3.3
419.24313	39.2
419.29639	2.3
420.24683	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	420.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01379	6.4
61.98827	100.0
69.13279	3.3
71.01378	3.9
73.02951	0.5
76.39687	0.3
85.02951	1.1
87.00864	0.6
89.02442	1.9
98.20689	0.8
99.00984	0.6
101.02441	2.2
102.31259	0.3
113.02464	1.2
115.76170	0.3
119.03520	0.7
165.26517	0.4
196.04721	0.4
213.05553	3.2
214.05899	3.5
215.12909	0.6
241.05038	4.7
242.05383	10.0
243.06071	1.4
256.07288	5.5
257.07724	13.3
258.08209	1.1
259.06079	0.4
377.18127	16.6
405.11469	0.7
420.13812	10.8
420.18390	0.4
421.14587	0.9
421.20950	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	420.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	10.8
59.01374	2.2
61.65534	0.6
61.98835	1.7
71.01368	1.3
72.00903	4.8
73.04066	8.0
74.02476	0.8
81.03448	1.6
82.06630	1.4
83.28560	0.7
91.05519	4.7
96.26225	0.6
96.96076	0.6
97.04069	2.0
98.02476	4.5
98.20670	1.4
101.02422	0.7
103.05521	1.0
108.08173	1.6
111.55379	0.6
112.07666	1.0
113.02474	0.7
115.05127	4.6
116.03545	1.2
122.03745	0.9
125.02428	1.7
126.09173	1.1
129.10327	13.9
130.10678	1.0
139.08710	1.7
141.10312	2.5
142.26152	0.6
143.11899	1.5
147.04501	17.9
148.04848	0.9
151.00418	0.7
151.08754	1.9
152.07164	10.2
153.05388	1.0
155.08298	1.5
164.07143	42.7
165.07520	1.7
168.11404	18.4
169.09792	1.5
169.11671	0.9
170.35611	0.7
186.12454	37.9
187.12775	1.9
196.09761	1.7
210.12456	22.2
210.14502	0.8
211.10840	4.7
211.12778	1.8
213.09103	3.2
214.09544	4.4
228.13553	3.5
233.16582	11.7
240.07466	0.8
243.06221	0.9
255.13278	0.7
257.08179	9.2
258.05685	1.0
258.08490	19.6
259.09302	1.3
259.14386	1.0
277.15607	6.2
278.16144	0.7
281.08365	0.7
282.08575	5.0
290.18701	7.5
291.19028	0.7
300.09518	2.3
312.09531	1.0
332.19684	5.3
376.18726	100.0
377.19043	10.4
402.20169	1.3
420.14005	2.1
420.21307	15.4
421.22028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09566	1.0
59.01374	6.2
61.98835	3.2
63.02392	1.3
65.00313	1.4
65.78099	1.0
69.13770	7.1
69.14176	2.0
79.40375	1.0
83.01382	1.2
85.02957	0.9
93.03465	2.6
96.96015	7.9
98.19952	2.2
99.39516	0.8
101.02433	2.1
103.71475	0.8
107.01408	2.7
117.03452	2.9
128.09985	1.1
135.00896	1.4
136.01672	1.9
137.02458	9.1
143.04968	1.1
151.00362	1.6
153.05554	1.2
155.04994	1.0
159.04506	3.0
163.00392	1.3
167.05013	1.7
169.06551	1.1
171.04449	1.7
173.02504	1.0
182.03661	1.7
183.04512	6.9
185.02460	1.4
185.06087	2.5
187.04016	2.5
198.30148	0.9
203.28766	0.9
211.03973	4.9
213.05563	1.6
227.03490	62.4
228.03944	5.3
229.05107	5.9
234.22905	1.0
239.03491	1.8
241.05107	1.2
255.02979	89.1
256.03461	10.1
257.04507	4.8
264.86743	1.0
283.02460	90.6
283.98456	1.1
284.03201	52.8
285.04019	100.0
286.04434	8.4
293.27969	1.0
370.12677	1.0
421.13269	2.0
421.19064	3.3
421.24283	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	421.1502
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
51.75143	0.4
59.01373	7.0
69.76801	2.2
71.01383	4.8
72.99297	0.7
81.03455	5.9
83.01384	0.5
85.02943	0.8
93.03455	1.8
99.00821	0.5
101.02428	0.8
108.02165	4.0
109.02956	1.7
113.02430	1.4
115.00374	4.9
121.02953	22.1
122.03745	15.3
123.00884	1.0
123.04528	14.1
124.01667	0.5
125.02430	3.7
133.01413	2.9
136.01651	0.8
136.05287	0.6
137.02455	4.9
137.06075	16.8
138.06416	0.9
152.14354	0.4
153.01891	1.3
154.02673	0.9
161.04572	0.7
171.49176	0.4
185.11737	2.1
197.09709	0.7
209.11824	0.6
243.06587	2.7
244.07364	12.3
245.07549	1.0
259.09726	100.0
260.10049	8.3
283.09836	0.8
301.10907	0.9
313.08441	0.5
421.20355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1502
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
59.01377	12.2
61.98823	1.5
62.98769	0.5
71.01376	5.4
73.02943	1.3
85.02940	1.5
87.00826	0.7
89.02428	1.4
93.03459	2.3
99.00848	0.7
99.08115	0.6
101.02415	2.1
108.02163	31.0
109.02927	1.8
109.19736	0.5
113.02447	1.7
115.00367	2.7
119.03525	0.5
121.02944	50.2
122.03751	23.9
123.04568	2.5
125.06020	0.5
127.07620	1.4
129.05551	0.9
133.01405	1.6
136.01614	0.6
137.02470	0.6
137.06068	25.5
138.06427	0.5
149.06096	1.0
151.03998	1.1
152.01103	1.6
153.01877	0.8
153.05582	0.7
161.04529	1.0
177.00336	0.6
190.03409	0.5
197.09839	0.6
197.11763	1.5
215.07150	0.6
241.08702	1.4
244.07275	1.3
259.09711	100.0
260.10059	9.1
301.10858	0.6
421.11334	0.9
421.20590	5.3
421.24991	0.6
422.21072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35535	6.3
57.03436	6.7
59.01375	100.0
59.58707	5.9
61.98820	15.4
70.98973	12.0
71.01376	47.0
72.99306	6.3
75.00855	12.8
85.02918	10.1
85.06595	30.9
89.02447	20.6
93.03436	9.5
97.56512	6.4
101.02423	19.4
113.02451	11.2
113.06085	51.9
115.00334	21.0
115.04012	38.5
123.04499	11.7
133.01436	10.1
135.04494	8.3
139.03996	20.8
157.05069	13.5
161.04535	15.8
165.05649	8.9
192.49202	6.4
197.11819	14.3
241.04912	8.2
243.05348	8.0
245.50484	6.1
302.34787	7.0
421.16483	32.3
421.20993	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.7
65.00446	6.1
65.49895	6.5
69.18808	55.6
71.01380	31.4
71.01759	6.8
71.39689	6.1
74.97691	6.2
79.65849	6.8
85.02937	8.6
94.10409	7.5
101.02443	28.3
115.92091	10.2
116.92872	54.3
133.35550	6.3
143.07146	41.1
199.89951	6.6
215.12831	8.1
324.00769	8.1
377.18100	100.0
378.18304	7.4
403.45087	7.3
421.16220	90.5
421.20947	20.3
422.16446	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	421.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
57.03436	5.9
58.02967	2.0
59.01376	56.5
61.01786	2.0
61.98828	18.9
69.33910	5.3
69.34338	5.5
70.02973	12.8
71.01375	23.6
71.05017	14.3
73.02931	5.1
74.05653	1.4
77.17435	1.4
83.01376	2.0
85.02937	7.9
87.00844	2.4
87.05629	5.2
87.89259	1.3
89.02454	11.9
95.01357	2.3
99.04485	7.9
101.02437	48.2
113.02454	7.0
113.06064	1.6
115.00383	1.7
116.92850	2.3
119.03464	3.4
122.58549	1.4
123.04512	1.9
125.02400	1.6
128.03500	1.9
128.07109	2.1
129.05547	2.5
130.03308	10.3
130.08699	4.2
131.50363	1.5
145.03011	1.7
146.08221	87.5
147.05930	4.8
147.08530	3.3
161.04510	3.4
171.55330	1.4
179.05612	3.0
195.13977	2.2
197.11688	2.8
215.06927	1.9
215.12773	3.0
217.11899	16.7
218.12169	1.9
223.06168	1.9
231.06668	3.1
243.03085	2.1
259.06049	4.3
277.12247	100.0
278.12555	7.5
285.56494	1.5
361.18436	2.1
377.17975	39.2
378.18240	4.2
404.18469	2.3
421.11356	4.8
421.20584	21.9
422.19623	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95425	0.2
59.01358	0.4
62.96407	0.3
63.37827	0.2
66.13986	0.2
70.51994	0.8
75.88831	0.3
78.95899	51.7
80.96508	0.7
96.96000	0.6
96.96959	6.4
97.12863	0.2
102.66704	0.2
102.92005	0.2
150.98018	1.6
152.99576	100.0
153.99916	1.9
155.59007	0.3
159.59489	0.2
171.00650	4.2
175.28499	0.2
211.19577	0.2
267.23260	1.2
343.98154	0.3
421.23544	5.7
422.23956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50363	1.2
59.01363	1.4
59.63353	1.3
62.81051	1.3
70.23859	5.3
80.96512	3.5
123.78391	1.4
157.47252	1.2
163.11275	100.0
164.11575	5.5
187.29445	1.4
222.85411	1.4
339.23239	64.3
340.23474	8.2
347.36227	1.5
379.21149	1.7
421.22729	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	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.20299	0.8
57.03448	1.3
59.01376	4.0
69.03455	1.3
69.32735	0.8
69.61132	3.3
69.61546	1.6
83.05023	7.0
85.06596	2.9
87.04965	0.9
93.03448	1.2
97.06583	3.7
98.19912	1.8
109.06590	2.5
111.08161	3.2
119.05069	1.5
123.08151	2.1
125.09715	9.1
127.07615	0.8
128.89032	1.0
137.09729	1.6
151.11293	0.9
159.11772	1.1
171.10281	21.5
172.10567	1.4
185.11862	1.0
187.14905	1.8
189.16446	2.1
205.15984	3.9
209.11848	3.5
211.13364	5.9
215.14375	2.2
219.10301	1.1
219.13846	1.1
221.15434	2.6
229.12331	1.0
231.13878	2.7
233.15451	34.0
234.15819	2.9
237.14908	0.9
249.14941	16.8
251.16438	1.8
257.17535	2.6
283.19202	1.4
313.25415	1.2
323.23602	1.3
331.26416	1.7
341.24936	2.6
357.24368	1.0
359.25800	1.5
367.22839	2.1
377.26883	3.7
385.23843	6.7
393.26373	2.3
403.24893	61.2
404.25305	8.4
421.25964	100.0
422.26324	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	423.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
60.15451	0.6
61.98813	0.6
71.01376	21.3
71.50949	1.2
72.99306	4.6
85.02931	1.3
87.00883	1.3
89.02422	2.1
90.60686	0.7
100.11514	0.6
101.02489	1.3
111.75732	0.6
115.00370	49.2
116.00719	1.0
133.01425	100.0
134.01768	2.2
137.02443	1.4
139.02888	0.7
157.35092	0.7
158.98705	0.7
159.04524	2.0
172.05327	0.9
173.06064	2.8
173.28152	0.7
181.95706	0.7
187.04021	1.7
187.07622	19.0
188.08092	1.0
199.07678	1.9
201.05582	2.6
202.06364	7.2
203.06815	0.7
213.09245	2.4
215.07089	1.3
231.10260	8.5
245.11835	1.5
246.07893	1.3
248.10553	1.3
260.10120	0.7
261.10260	1.4
263.12851	10.9
264.13116	0.9
275.09247	5.5
307.11841	17.9
308.12247	2.2
423.26016	0.9
430.88345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63154	8.8
59.01378	93.1
61.98827	13.5
71.01381	85.9
81.06120	9.9
85.02946	16.5
89.02454	18.6
95.01364	12.8
101.02465	19.9
115.00353	86.8
119.05022	27.6
120.25106	9.2
121.02921	16.3
123.04504	29.7
127.07661	23.8
133.01430	100.0
140.05505	11.6
163.03989	31.0
187.07645	17.3
197.43538	11.9
221.54828	9.1
231.10161	20.5
265.82556	9.0
275.09186	16.9
341.80142	10.3
419.18661	12.8
423.16986	35.7
423.26199	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63154	8.8
59.01378	93.1
61.98827	13.5
71.01381	85.9
81.06120	9.9
85.02946	16.5
89.02454	18.6
95.01364	12.8
101.02465	19.9
115.00353	86.8
119.05022	27.6
120.25106	9.2
121.02921	16.3
123.04504	29.7
127.07661	23.8
133.01430	100.0
140.05505	11.6
163.03989	31.0
187.07645	17.3
197.43538	11.9
221.54828	9.1
231.10161	20.5
265.82556	9.0
275.09186	16.9
341.80142	10.3
419.18661	12.8
423.16986	35.7
423.26199	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.7
59.01378	14.2
71.01382	7.4
71.50756	1.0
73.02926	2.5
77.29109	0.9
83.01363	1.0
85.02954	4.2
88.25409	0.8
89.02438	2.3
99.08151	43.5
100.08504	2.3
101.02446	6.7
101.06017	0.9
102.69506	1.0
113.02419	3.2
115.00350	2.6
121.02933	1.0
125.09718	1.0
127.07648	47.1
127.38249	0.9
128.07957	2.1
129.05573	100.0
130.05899	3.9
133.01411	2.9
153.05569	27.0
154.06018	2.0
154.39929	1.1
159.02988	1.1
161.04562	5.6
171.06610	12.5
240.39864	1.0
247.80209	0.9
251.11322	18.5
252.11591	1.6
259.09616	1.3
260.10144	1.4
261.10260	1.8
405.17517	4.0
406.66904	0.9
423.13492	2.1
423.18640	43.1
424.19006	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	425.145
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
59.01381	5.1
71.01369	2.2
80.36236	0.7
85.02966	0.8
89.02451	1.9
93.03458	2.2
101.02400	1.8
102.30885	0.8
106.04208	2.2
109.02958	1.2
113.06061	1.8
121.02930	4.5
133.02951	22.6
134.03743	43.6
135.04521	66.8
136.04819	3.0
137.02437	32.3
139.04027	8.7
140.80345	0.8
149.02362	1.0
150.03226	3.0
157.05022	1.7
161.02428	5.7
165.01894	1.1
178.02698	13.0
179.03481	59.8
180.03784	3.5
201.09171	2.5
219.10323	1.0
245.08160	1.9
247.09673	4.4
381.15457	2.3
425.14468	100.0
426.14789	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	425.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01373	5.7
61.98833	0.9
71.01381	26.8
72.99316	6.6
78.63579	0.7
83.61304	0.6
98.20775	1.2
99.08192	1.5
102.77169	0.6
111.08122	1.7
115.00375	5.0
127.07636	1.4
127.11277	1.8
129.05513	1.1
133.01453	1.3
147.07938	0.6
147.82272	0.6
151.11284	0.7
153.12871	2.4
155.10797	0.9
161.90437	0.7
163.11282	0.8
165.12935	1.1
167.10815	0.8
169.12347	1.1
179.14439	1.0
181.12299	2.4
189.07826	1.1
193.16031	0.6
197.11780	3.4
207.13965	1.0
209.11780	0.9
227.12659	0.7
247.20796	3.6
253.53708	0.6
273.18619	1.8
281.21097	0.7
291.19678	21.2
292.19958	2.3
307.18948	0.8
309.20706	100.0
310.21045	10.8
319.22830	1.2
407.20810	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	425.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39349	1.0
54.16981	1.0
57.03446	7.7
59.01375	4.8
59.64306	1.3
61.98832	2.7
64.84772	0.9
70.91351	1.8
71.01380	34.5
71.01784	1.7
72.99304	8.2
89.02435	1.2
90.31818	1.1
90.93360	1.4
92.18974	1.1
97.06585	1.2
99.08157	50.7
115.00353	15.0
126.06827	1.2
127.07643	32.5
129.05574	32.2
130.05951	1.1
133.01418	6.8
137.02443	1.7
138.03247	6.4
141.09210	1.6
149.58731	1.1
153.05553	3.5
165.12837	3.0
167.14473	1.3
171.06569	6.9
174.14497	1.2
181.12270	2.6
189.07663	22.3
191.96202	1.1
193.12289	1.6
209.11932	1.4
211.13370	1.2
221.15346	1.4
222.15538	1.1
235.09758	4.1
240.13651	1.6
247.20555	3.0
273.18607	1.8
276.28976	1.1
278.24521	1.0
291.19635	24.6
292.20157	1.7
309.20697	100.0
310.20996	12.1
316.64423	1.2
343.35342	1.0
407.20676	3.1
443.46066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94444	1.4
56.86535	1.2
59.01378	100.0
60.01711	1.2
61.25462	1.2
61.98823	2.4
69.40338	4.0
69.40761	5.3
71.01372	6.7
72.99313	1.4
73.02957	1.2
96.96004	1.3
99.08144	4.8
103.64357	1.1
115.00378	1.8
121.02912	1.2
127.07621	3.2
129.05580	1.4
139.75914	1.0
152.99510	1.6
165.12843	1.6
189.07652	2.0
208.78075	1.1
291.19650	10.1
307.73206	1.3
309.20715	24.9
310.21115	3.3
372.29218	1.1
393.81674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	29.3
59.01374	3.9
61.27233	0.6
71.01373	5.7
72.99301	1.1
73.02927	0.7
75.00874	13.0
83.05034	1.0
85.02946	5.4
87.00876	0.8
89.02435	2.2
90.02447	0.8
98.19884	2.2
99.00850	0.9
101.02405	3.4
103.47676	0.7
106.77770	0.6
108.39250	0.6
117.01870	1.0
119.03524	1.1
120.75919	0.6
129.01932	49.5
129.07375	0.7
130.02310	1.0
147.02985	35.5
165.04031	2.7
198.30959	0.6
230.07903	0.8
277.21698	100.0
278.22006	9.0
341.15515	0.6
425.25269	11.7
425.30286	0.9
426.25977	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	426.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72263	1.0
59.01375	3.1
61.98827	100.0
71.67413	1.1
132.95808	1.2
146.03670	3.4
146.22687	1.2
159.04407	1.7
160.05252	1.7
168.88318	1.0
172.05275	1.7
184.39381	1.2
187.03946	5.3
188.04823	5.5
269.11835	1.4
269.15350	1.3
285.14899	2.2
295.13449	5.8
313.14426	18.7
314.14737	2.3
331.15433	25.4
332.15768	3.3
362.85538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31979	0.8
55.88264	0.8
57.34060	0.9
59.01381	21.1
61.98841	1.1
63.26154	0.8
71.01379	15.7
71.01736	1.4
71.49142	1.0
73.02940	1.5
73.68021	0.7
85.02957	10.4
87.00871	2.0
89.02451	24.9
90.02758	0.9
101.02438	9.0
109.42139	0.8
113.02468	6.2
115.04011	1.8
116.04365	0.9
119.03516	8.3
123.40607	0.8
130.08749	100.0
131.03534	1.8
131.09081	3.5
133.05066	5.0
143.03484	1.6
149.04602	0.9
149.16473	0.8
160.35576	0.9
161.04575	3.9
175.77959	0.8
179.05608	8.1
221.06560	4.7
235.08333	2.4
328.44672	0.9
350.71509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71306	1.8
58.01611	1.9
59.01365	6.0
61.98811	6.6
70.02962	2.1
71.50793	2.8
78.88826	1.6
85.09595	1.6
96.95969	2.3
97.04047	5.4
99.08125	3.7
127.07646	2.3
129.05537	4.8
135.02992	2.2
197.11824	2.6
221.66617	1.8
224.01915	1.8
237.05502	7.1
238.03227	3.7
250.03210	1.9
252.01254	5.3
253.01849	14.8
254.02742	19.8
255.03345	3.2
262.02161	2.4
264.06741	3.0
265.01871	2.9
265.04370	5.6
266.02716	12.8
267.03506	5.7
268.04373	29.1
269.04529	2.8
277.04385	3.9
278.02698	3.3
279.03354	4.2
280.04202	8.0
281.05161	12.6
282.02350	25.5
282.05505	4.3
283.02606	2.5
291.19601	3.1
292.04443	9.9
293.04855	3.6
294.02234	7.6
294.05798	6.1
295.05487	30.6
296.07550	3.0
297.04630	43.4
298.04932	4.3
307.04410	2.4
308.03857	4.0
308.07159	2.3
309.20721	7.3
311.06012	4.5
312.06952	24.6
313.07407	3.6
319.05441	27.6
320.06149	5.2
321.03586	3.6
321.07013	31.7
324.07144	2.0
325.07718	12.6
326.08279	3.2
334.04282	3.2
335.04880	11.0
336.05713	84.2
337.06064	13.0
340.10022	23.6
341.10431	2.5
349.06427	17.1
350.07059	4.8
351.08057	100.0
352.08337	9.1
353.05957	10.5
354.05887	1.7
355.11490	1.9
365.05835	6.4
383.06699	3.7
383.10803	22.6
384.10919	3.2
395.07031	7.2
399.73801	1.9
427.09689	2.2
427.23218	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87352	0.8
57.03446	6.7
59.01376	98.2
60.01702	1.3
69.03439	1.0
71.01013	1.7
71.01380	26.5
71.05000	1.9
72.99310	1.8
73.02941	23.2
74.16799	0.9
74.47079	0.9
83.01375	8.8
83.05008	3.4
85.02948	6.1
86.00108	1.6
87.00878	8.6
89.02434	8.0
93.06958	1.0
93.64084	0.8
97.02943	1.6
99.00889	1.9
99.03930	1.0
99.04521	11.4
101.01801	1.8
101.02442	29.0
103.18864	0.8
109.02979	1.1
111.00882	4.6
113.02446	8.3
119.03473	2.3
120.79676	1.0
123.08203	1.8
135.08105	1.1
137.09689	2.2
143.03455	3.4
149.04492	1.9
151.11197	1.2
153.09201	2.1
161.04520	7.7
161.06042	2.7
161.09698	2.4
161.61748	1.0
165.09201	49.0
166.09473	2.7
175.07648	10.2
177.12852	12.2
178.06329	2.9
179.10739	3.8
187.11269	5.7
189.09238	2.3
190.10011	7.1
203.05379	1.2
203.10846	1.1
205.12320	100.0
206.12663	7.7
221.11861	1.6
223.13379	46.1
224.13676	3.3
230.57716	1.2
278.20157	1.2
295.15457	2.4
344.72195	1.0
347.11194	1.0
367.17578	6.6
385.18668	8.6
427.19742	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	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10411	0.6
52.93645	0.6
55.01874	0.8
55.55339	0.5
56.50450	0.7
57.03445	2.7
59.01376	100.0
60.01718	0.7
69.03465	1.2
71.01378	11.1
71.37298	0.6
71.84758	0.5
73.02945	9.2
83.01396	3.3
85.02935	4.5
87.00852	1.6
88.40117	0.6
89.02460	2.6
97.02950	0.9
99.00909	1.2
101.02432	7.2
111.00881	1.2
113.02440	4.2
119.03493	1.4
125.02474	0.9
147.04561	1.5
151.11317	0.6
161.04535	1.1
161.09706	0.8
163.11287	10.1
164.11624	0.6
165.09218	2.1
171.08037	0.8
181.12335	21.0
182.12689	1.6
187.11314	2.5
189.12862	3.6
190.09999	4.8
205.12341	6.4
212.58240	0.5
223.13344	1.3
229.12256	0.7
247.13412	0.8
279.06659	0.7
367.17722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.7
59.01377	100.0
60.01694	1.4
69.03439	1.2
71.01015	1.5
71.01383	24.9
71.50448	1.3
73.02941	27.5
78.18665	1.0
83.01373	7.6
83.05020	3.5
85.02946	5.7
86.00072	0.9
87.00879	10.5
88.27293	0.9
89.02439	9.4
92.77213	0.9
97.02969	1.9
97.43324	1.0
99.00850	2.2
99.04524	9.0
101.02442	27.2
109.02959	1.2
111.00851	5.1
113.02461	6.2
113.06080	1.5
119.03477	5.0
123.08154	1.3
125.02438	1.5
135.08148	1.0
137.09668	3.2
143.03482	2.4
150.06882	1.1
151.11227	1.1
153.09193	2.8
159.06569	1.8
161.04529	7.4
161.06039	3.9
161.09669	1.2
165.09201	43.1
166.09483	3.5
167.48238	1.0
172.08987	1.1
175.07629	8.6
176.08012	1.4
177.12848	10.3
178.06329	1.9
179.10753	5.1
187.11308	4.7
189.09120	1.8
190.09926	5.9
203.05611	1.9
205.12320	93.3
206.12715	7.9
221.11823	3.1
223.13367	51.1
224.13692	4.7
271.17041	1.0
280.25528	0.9
295.15393	1.9
367.17572	4.9
385.18781	7.1
427.19736	7.3
428.19940	1.6
448.50461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03451	7.3
58.00603	1.3
59.01379	100.0
60.01714	1.0
61.98827	2.9
67.01902	1.7
71.01385	24.0
73.02946	28.4
75.00838	1.0
81.90917	0.8
83.01395	8.1
83.05020	3.7
84.05274	0.9
85.02951	7.9
85.34443	0.9
86.00148	0.9
87.00874	10.8
89.02437	8.3
97.02975	1.2
98.13998	1.0
99.00878	1.4
99.04517	8.6
101.02441	22.4
102.02732	1.0
111.00885	17.5
112.01177	1.1
113.02454	8.6
113.06094	2.2
116.05077	1.1
118.14745	0.9
119.03486	4.3
121.06561	1.2
125.02483	1.5
129.01945	1.4
131.03491	1.0
137.09726	3.2
143.03436	1.7
151.11273	1.8
153.09206	2.5
161.04549	8.2
161.06065	2.9
161.09708	2.6
165.09209	40.8
166.09549	2.8
166.79675	0.9
173.00945	1.4
173.04378	0.9
175.07611	7.9
177.12842	12.2
178.04742	0.8
178.06348	2.0
179.10748	4.7
187.11234	5.8
189.09164	1.8
190.10004	7.0
193.69901	1.0
205.12320	91.4
206.12633	8.0
221.11865	1.6
223.13379	48.5
224.13721	3.8
274.12802	0.8
291.78976	0.9
295.15515	1.8
367.17807	4.3
385.18582	7.6
427.19604	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03451	7.3
58.00603	1.3
59.01379	100.0
60.01714	1.0
61.98827	2.9
67.01902	1.7
71.01385	24.0
73.02946	28.4
75.00838	1.0
81.90917	0.8
83.01395	8.1
83.05020	3.7
84.05274	0.9
85.02951	7.9
85.34443	0.9
86.00148	0.9
87.00874	10.8
89.02437	8.3
97.02975	1.2
98.13998	1.0
99.00878	1.4
99.04517	8.6
101.02441	22.4
102.02732	1.0
111.00885	17.5
112.01177	1.1
113.02454	8.6
113.06094	2.2
116.05077	1.1
118.14745	0.9
119.03486	4.3
121.06561	1.2
125.02483	1.5
129.01945	1.4
131.03491	1.0
137.09726	3.2
143.03436	1.7
151.11273	1.8
153.09206	2.5
161.04549	8.2
161.06065	2.9
161.09708	2.6
165.09209	40.8
166.09549	2.8
166.79675	0.9
173.00945	1.4
173.04378	0.9
175.07611	7.9
177.12842	12.2
178.04742	0.8
178.06348	2.0
179.10748	4.7
187.11234	5.8
189.09164	1.8
190.10004	7.0
193.69901	1.0
205.12320	91.4
206.12633	8.0
221.11865	1.6
223.13379	48.5
224.13721	3.8
274.12802	0.8
291.78976	0.9
295.15515	1.8
367.17807	4.3
385.18582	7.6
427.19604	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	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93018	0.7
57.03437	1.3
59.01377	4.5
61.98825	3.1
69.30305	4.9
69.30719	1.3
71.01369	2.2
75.00848	1.1
79.95726	4.9
80.96521	8.0
89.02392	0.8
95.05001	0.8
97.02945	0.8
97.06580	2.1
98.31972	0.7
99.08149	1.9
113.09724	1.3
115.07624	1.9
121.06576	0.6
125.06071	1.1
127.07676	1.5
128.08038	0.8
129.05605	1.1
130.05888	0.8
131.05141	0.7
135.02992	2.1
139.11305	1.3
141.09219	1.7
159.04495	0.7
165.12868	4.4
167.10724	0.7
167.14432	1.9
177.12772	0.6
181.12355	3.3
183.13782	0.8
189.07593	0.9
191.64354	0.8
193.12314	2.0
193.15860	0.7
195.13907	1.7
204.11688	0.7
209.11850	0.8
211.13466	3.4
213.14952	0.9
221.15500	1.1
239.12929	1.0
240.13724	1.2
247.20662	2.4
273.18570	2.1
281.21259	1.0
291.19638	31.9
292.19913	2.8
309.20691	100.0
310.15305	0.7
310.21124	10.2
367.16846	0.7
406.96320	3.2
426.96692	6.4
427.23441	13.0
428.23621	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03980	1.2
53.45511	1.3
59.01380	100.0
60.94563	1.3
69.44721	9.6
91.04021	2.8
102.00038	1.3
142.84787	1.4
146.01572	1.2
175.04051	1.5
187.61066	1.2
232.50160	1.3
239.68846	1.7
275.20078	2.0
293.21259	11.0
427.21317	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	2.4
69.18537	9.4
69.18952	3.1
150.57341	1.1
150.94412	1.0
152.01727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80934	0.9
50.82219	0.8
56.42101	1.0
56.86114	0.8
59.01377	100.0
60.01708	1.2
61.98835	1.3
62.09422	0.8
65.58046	0.9
67.21479	0.8
71.01370	1.0
91.04005	2.3
100.96048	1.0
110.34875	0.9
123.31681	1.1
124.41930	0.9
135.32552	1.1
192.65285	0.9
275.36255	1.0
293.21240	5.4
306.40720	1.1
311.22223	2.2
316.02588	1.1
329.22589	1.2
340.47226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76898	1.1
56.41816	1.2
57.57166	1.1
59.01376	100.0
60.01709	1.6
60.45277	1.2
60.77818	1.2
61.98820	3.1
71.49787	1.9
91.04004	1.3
96.95977	1.5
131.88548	1.1
235.17024	3.0
275.20053	5.0
287.00754	1.3
293.21255	4.3
367.16846	1.3
427.11826	1.4
427.20944	2.2
427.30746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.25136	0.4
59.01383	4.2
61.98833	100.0
67.95121	0.4
71.01379	1.4
72.99294	0.4
85.02990	0.4
88.04064	0.4
89.02472	1.2
99.04553	0.6
101.02486	0.9
102.05618	0.4
113.02454	0.8
123.04496	0.5
128.03551	0.9
131.69041	0.4
143.03543	0.4
161.04585	0.5
188.04865	0.4
220.66167	0.4
221.11928	0.4
247.70399	0.3
248.09309	0.9
266.07535	0.4
428.16324	0.4
428.25839	0.5
429.13666	0.6
429.18420	0.7
429.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01382	6.0
61.59514	0.4
61.98834	100.0
69.16212	4.3
70.24167	0.4
71.01392	2.7
74.02468	0.7
87.00887	1.1
87.05637	0.6
88.04067	0.7
89.02438	2.1
93.03474	0.5
96.96001	0.6
99.04580	0.7
101.02442	2.2
113.02440	0.8
114.05643	0.6
119.04978	0.8
123.04545	0.5
127.05169	0.8
128.03542	2.5
135.04555	1.3
136.05310	0.7
137.99146	0.4
141.06711	1.1
143.04694	0.6
145.06189	0.4
161.04594	1.4
163.04085	1.3
179.03474	0.5
185.05731	0.9
195.06676	1.1
223.06178	1.1
248.09195	0.6
267.07135	2.4
272.08926	0.9
308.39926	0.4
411.22760	0.5
428.15964	0.7
428.25327	1.2
429.13788	1.0
429.18564	1.0
429.23734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08869	0.6
55.01887	1.3
57.03462	1.6
58.00601	1.4
59.01382	48.0
61.27244	0.5
61.98821	0.8
69.20802	3.6
69.21221	2.4
71.01385	29.6
72.99317	1.9
73.02969	2.8
73.04067	4.6
74.02495	2.2
83.01403	1.9
84.04564	1.1
85.02951	8.2
87.00890	1.5
89.02448	19.6
93.03473	1.0
95.01410	1.7
96.11824	0.6
99.00928	0.9
101.02446	18.8
101.03111	1.0
102.05600	6.8
104.03552	1.7
113.02456	9.1
113.03157	0.7
115.00417	1.0
115.08772	3.5
116.85721	0.6
118.98119	1.3
119.03493	7.4
119.05032	1.2
121.78008	0.7
123.04537	0.7
125.02559	0.7
127.05096	0.9
128.03548	19.2
129.10353	1.8
130.08745	2.3
133.01443	0.7
134.03712	4.7
140.07179	0.9
141.10353	0.7
143.11983	1.6
146.04608	5.0
148.39256	0.6
149.06107	2.0
150.33580	0.6
155.11969	1.7
159.02919	0.9
161.04625	1.1
161.13362	1.0
165.12509	0.7
171.15028	0.7
175.02541	0.8
178.02802	1.4
187.11075	1.0
193.05104	2.3
200.18681	0.6
205.12477	0.7
208.13467	1.0
228.17168	0.7
242.18710	0.8
256.20370	1.7
284.23544	1.2
300.19278	5.1
385.24557	1.5
399.26297	2.0
411.22736	0.8
429.17847	100.0
429.23572	14.8
430.12329	1.1
430.18179	14.2
430.23984	2.2
442.65125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55137	0.5
57.03447	1.8
59.01380	100.0
60.01701	1.0
70.15053	0.7
70.15392	1.9
70.32111	0.5
71.01382	10.4
71.05045	0.8
72.99333	0.9
73.02959	2.2
74.02442	0.5
83.01401	1.6
83.05016	0.6
83.18387	0.5
85.02975	2.1
87.00878	4.0
89.02440	9.0
95.01391	1.0
95.05041	0.6
97.06573	3.1
98.20010	0.7
99.00916	1.0
101.02450	6.2
107.05040	6.6
113.02449	5.4
113.99632	0.9
115.00405	1.2
119.03478	3.8
120.05848	1.2
121.02932	0.6
131.03560	0.9
135.04562	1.7
141.05641	0.7
143.03561	0.6
161.04588	2.1
161.09703	4.6
161.13409	2.3
163.11372	0.7
175.02495	0.9
179.05658	1.5
187.11292	6.8
189.09303	2.1
203.10806	1.0
205.12437	2.1
207.10294	1.8
223.13387	32.7
224.13693	2.5
243.28046	0.5
249.11264	3.0
267.12369	30.9
268.12527	2.7
309.13687	0.7
327.14145	0.6
333.09799	2.1
336.18478	0.6
367.63287	0.7
387.20273	1.3
429.12674	0.7
429.17029	3.0
429.25345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18787	0.5
56.68740	0.5
57.03444	2.1
59.01376	100.0
60.01704	1.1
71.01379	14.2
71.05050	0.5
72.99300	0.8
73.02939	2.9
83.01396	2.5
83.05035	0.9
85.02933	3.4
87.00883	3.7
87.23383	0.4
89.02442	11.2
94.33660	0.5
95.01404	0.8
95.04980	0.7
97.06606	2.5
99.00887	1.0
99.04552	0.7
101.02440	6.7
105.52509	0.5
107.05013	5.3
112.98878	0.5
113.02461	6.0
113.26255	0.4
113.99599	0.7
115.00388	1.1
119.03492	3.1
119.05052	0.5
119.22641	0.5
120.05810	1.0
135.04544	1.8
141.05609	0.6
143.03531	0.8
161.04527	3.8
161.09755	3.4
161.13362	1.6
163.03967	0.6
163.11298	1.8
164.92256	0.5
175.02499	1.5
179.05624	1.3
179.10817	0.8
180.11206	0.6
187.11284	6.6
189.09216	2.7
203.10774	0.9
205.12256	2.5
207.10254	1.6
223.13379	29.0
224.13779	2.2
229.12277	0.9
231.10309	0.6
249.11458	2.3
259.38071	0.5
267.12341	28.3
268.12808	1.9
291.12592	0.8
309.13315	0.7
333.09906	1.7
369.19266	0.6
387.20123	2.5
388.20486	0.9
429.12131	1.1
429.17673	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.86284	0.2
69.21712	0.4
69.22112	1.5
74.26014	0.2
93.09161	0.2
99.00883	0.4
99.92583	5.7
100.92697	0.2
100.93365	5.1
101.93398	0.3
103.93458	0.2
115.92079	100.0
116.92090	5.6
116.92873	6.2
117.92570	0.2
124.87648	0.2
128.86925	0.2
132.92378	1.3
135.63779	0.2
142.94533	0.2
155.95247	0.2
162.54057	0.2
164.63832	0.2
172.95471	4.4
173.95609	0.4
206.82277	0.2
211.33307	0.2
221.08156	0.2
255.23315	0.8
287.29483	0.2
355.15887	0.6
371.15314	0.2
381.17480	0.7
425.82220	0.2
429.19476	3.4
429.25543	0.3
429.34045	0.3
430.19983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03427	0.8
59.01381	100.0
60.01709	1.6
61.83281	0.4
61.98869	0.5
67.61410	0.4
69.84251	2.1
71.01382	11.4
72.99325	1.0
73.02951	4.9
83.01398	2.1
85.02959	4.6
87.00874	1.0
89.02450	4.7
94.14649	0.4
95.01366	0.5
96.96014	0.5
98.19962	0.6
99.00882	0.8
99.04533	0.8
101.02445	9.5
107.02100	0.4
109.02953	0.8
113.02464	5.6
113.99624	0.5
115.00389	1.9
117.90175	0.4
119.03497	2.0
119.05032	0.6
123.04565	0.9
125.02473	0.6
129.78854	0.5
130.08717	0.6
143.03551	1.2
151.11234	0.5
153.01892	0.7
161.04527	2.4
161.58730	0.6
166.99742	0.5
175.02434	0.6
177.03119	0.5
179.03677	0.4
184.65919	0.4
207.13878	1.0
223.13461	0.7
225.15045	1.7
255.07910	0.5
315.09937	0.8
333.09903	0.8
369.19214	6.0
370.19641	0.9
380.32953	0.5
387.20288	7.0
388.21072	0.6
429.13385	0.9
429.21707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71606	0.3
55.01887	1.1
57.03446	1.0
59.01378	100.0
60.01718	1.1
71.01380	14.1
71.10491	0.9
71.74775	0.3
72.99313	0.7
73.02943	4.7
83.00947	0.5
83.01374	2.2
85.02950	5.1
87.00871	5.0
89.02433	3.9
90.83633	0.3
91.00974	0.3
92.52012	0.4
95.01395	0.9
97.02985	0.4
99.00916	1.0
101.02438	11.0
110.53199	0.4
113.02444	5.4
115.00372	8.5
119.03493	1.8
127.00387	0.7
131.03529	0.6
143.03534	1.0
159.03079	0.8
161.04556	4.9
175.02472	24.3
176.02876	0.5
179.05647	0.5
181.12344	0.5
189.12920	0.4
207.13953	1.1
225.15126	0.8
369.19339	1.0
387.20203	8.4
388.20950	0.8
447.89124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03445	1.4
58.00604	0.5
59.01377	100.0
60.01714	2.2
62.58159	0.6
66.20110	0.6
70.77725	1.7
71.01379	20.0
72.99324	1.2
73.02953	6.5
74.71651	0.5
82.13236	0.6
83.01390	2.3
85.02950	8.9
86.00100	0.8
87.00883	3.2
89.02441	6.4
90.93304	0.6
95.01405	1.7
99.00896	2.6
101.02435	13.2
107.05059	1.6
113.02450	9.9
113.03187	1.0
119.03505	2.5
120.33430	0.6
125.02430	0.9
135.04515	0.7
143.03520	1.3
159.03049	1.9
161.04539	9.5
161.09781	1.1
163.11313	4.3
179.05635	1.3
181.12338	0.9
187.11250	1.2
203.05576	0.9
205.12456	0.7
207.10387	0.9
207.14020	1.0
223.13342	6.7
225.15004	2.0
237.84969	0.5
267.12347	5.9
275.75323	0.6
325.16550	4.3
326.16974	0.7
333.09940	0.9
343.17819	1.5
351.18347	0.6
369.19321	2.7
387.20197	7.9
387.24265	0.7
404.24466	0.6
429.21548	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2275
Annotation	CJ 15544
Peak:m/z	Relative Intensity
57.03409	0.9
59.01379	23.3
61.32317	1.0
68.99557	1.3
70.04151	1.8
70.04500	2.7
71.01375	1.9
83.05036	1.3
85.02952	1.0
85.84365	0.9
88.07265	0.8
89.02451	1.7
97.06585	18.5
101.02423	1.6
109.02916	1.1
112.98565	2.0
113.02441	1.4
119.03437	1.6
121.02898	1.4
125.09608	1.1
143.04942	1.1
145.02858	0.9
146.03732	18.1
158.03694	1.1
159.04507	12.9
160.05252	4.2
161.06044	3.6
165.35587	1.0
172.05350	5.5
173.06064	9.3
174.03195	1.9
174.06715	1.2
175.03928	1.3
176.04718	3.7
177.13712	1.0
180.44012	1.0
183.13898	6.8
185.05960	1.3
187.03993	19.5
187.07607	3.9
188.04771	24.9
189.05360	2.6
189.09187	1.9
190.06445	1.0
193.12296	2.3
197.05997	1.8
198.06810	1.0
199.07619	2.9
201.05547	1.1
205.08636	5.5
211.13371	100.0
212.13692	6.9
217.08679	19.4
218.09052	1.1
223.57367	1.1
225.12819	1.6
241.12491	1.0
243.13785	1.1
243.48947	1.1
269.11755	8.0
269.15396	5.0
270.15359	1.2
283.13364	3.0
285.14871	4.8
287.13037	5.1
287.15933	0.9
295.10260	1.5
295.13373	19.1
296.13837	1.2
301.14545	4.7
303.16241	1.1
311.22296	3.3
313.10690	2.0
313.14413	39.9
314.14774	4.2
316.13217	2.3
319.15427	2.3
323.07025	1.3
331.15485	31.3
332.15842	4.4
344.71057	1.2
349.18124	2.0
353.08011	1.7
367.18979	1.3
390.71335	1.0
411.21692	4.8
429.22745	78.0
430.23083	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40503	0.7
59.01375	100.0
61.98819	2.6
84.46218	0.7
89.02438	1.2
91.03988	1.0
146.83217	0.8
189.09169	1.0
295.22745	2.8
411.21591	0.9
429.22598	2.0
429.29858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01693	1.1
70.85806	1.8
71.01402	0.9
108.24287	0.7
132.05371	0.6
191.01714	0.7
277.21918	1.5
295.22858	8.0
296.22949	0.8
324.44302	0.7
407.65179	0.7
429.13608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01378	57.0
60.01704	3.2
61.98818	2.2
71.01007	1.4
71.01384	18.3
71.50737	1.4
72.99300	3.6
73.02932	4.9
83.01409	1.7
84.04554	3.6
85.02950	3.3
87.00884	1.4
89.02450	5.8
94.03013	1.5
95.05037	1.3
97.01683	2.0
97.02984	0.8
97.06580	1.2
98.38553	0.9
101.02447	8.8
107.74583	0.8
108.02220	0.9
109.02948	1.0
109.06580	0.9
110.02464	3.1
112.04044	52.7
113.02471	4.2
113.04387	2.2
115.00378	4.2
119.03467	1.5
119.05022	1.2
120.99657	5.6
121.02956	1.9
122.06138	4.9
123.04501	2.3
123.08112	0.8
124.04043	41.8
125.02459	1.3
125.04390	2.2
125.31542	0.8
130.08731	0.9
140.07185	13.8
141.07520	1.3
144.97195	0.8
151.03972	2.1
161.02296	0.8
161.04587	2.6
165.09175	2.2
166.05086	42.4
167.05396	1.7
175.02464	6.1
176.02956	0.9
179.03630	1.0
184.06140	100.0
185.06471	3.5
191.07167	0.8
209.11804	1.5
210.03241	2.0
211.03975	12.6
225.18063	0.8
235.11453	0.9
238.02692	2.4
239.03477	13.5
240.04181	1.7
243.70457	0.9
252.67288	0.8
253.05125	2.7
268.03696	9.6
269.04471	4.0
275.09131	1.0
308.17422	0.7
375.08835	1.1
388.72330	0.8
395.13522	2.7
409.41248	0.9
416.11078	2.1
430.11307	1.5
430.17157	30.4
430.22806	1.8
430.74881	0.9
431.09808	13.5
431.15475	3.3
431.18906	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01377	9.2
61.98537	1.0
61.98831	13.2
69.83524	0.7
71.01379	3.9
71.49464	0.6
72.00909	9.9
72.99310	1.3
75.00881	0.9
78.95905	0.8
85.02936	0.8
87.00870	2.7
88.00363	0.6
88.04049	1.0
88.98789	3.3
89.02453	2.4
90.66508	0.6
96.00918	1.1
96.96012	0.8
96.96944	1.5
98.02449	0.6
101.02437	0.8
102.00134	0.6
103.05580	0.9
106.48846	0.6
109.02930	0.8
113.02478	0.8
115.00358	2.8
119.05004	1.0
123.04475	0.9
128.03537	1.0
128.25134	0.7
132.02982	1.4
133.01430	3.8
133.05081	8.7
134.04755	1.4
135.03003	0.9
137.03612	1.5
139.03998	1.0
147.04526	35.3
148.04831	1.5
164.07164	100.0
165.07518	4.9
169.44286	0.6
175.02495	3.2
179.03500	1.4
184.07208	0.6
303.66858	0.6
430.09149	5.1
430.18887	0.9
431.11554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87268	5.7
55.98384	5.4
59.01379	100.0
60.01704	8.0
61.97300	5.6
61.98832	36.4
70.28439	24.5
71.01410	6.0
76.29622	5.3
78.95921	7.3
89.02460	8.9
96.96022	21.6
119.05025	8.7
120.89711	13.1
121.91795	5.7
152.99567	16.7
160.05093	6.9
163.04004	15.3
168.20230	6.4
251.02412	5.6
271.13492	8.2
284.13605	12.2
290.14801	7.2
295.22662	8.1
346.64072	5.5
384.09613	7.3
394.21048	7.9
412.21997	12.1
415.15155	6.3
416.12881	7.0
430.23120	39.6
431.23083	6.7
431.32700	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64936	0.4
59.01376	42.7
59.32592	0.4
61.98830	3.1
69.54623	1.9
69.55030	0.7
71.01385	4.3
73.02937	2.4
83.01410	0.5
85.02935	1.5
89.02425	2.2
98.20632	0.9
99.00880	0.8
101.02460	3.1
109.09034	0.6
113.02437	2.0
117.03452	0.9
119.03506	1.1
119.05021	3.9
128.53986	0.4
156.05777	0.5
161.04547	1.2
163.04021	8.4
164.04492	0.5
167.05038	0.7
195.04482	1.0
211.03990	77.3
212.04366	5.5
227.03636	0.5
239.03479	76.5
240.04091	15.6
241.04697	1.1
251.12827	0.9
253.01355	1.5
255.02866	0.6
268.03741	65.4
269.04410	15.8
269.07748	0.9
269.13998	0.7
270.04977	0.7
282.22263	0.5
284.03378	0.6
311.05499	1.0
333.09698	1.1
385.09204	1.4
389.21802	0.8
431.09787	100.0
432.10101	12.5
432.15009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01379	49.7
61.98830	2.7
69.54671	2.5
71.01374	5.5
73.02942	2.7
74.02481	0.5
74.18407	0.4
79.81947	0.5
82.16080	0.4
83.01375	0.8
85.02952	1.4
89.02455	2.4
99.00875	0.5
101.02434	4.0
111.08177	0.7
113.02434	2.4
113.99579	0.6
115.00416	0.8
119.03560	0.6
119.05014	4.5
123.04490	0.5
143.03450	0.6
145.02937	0.8
149.02505	0.6
153.09123	0.8
155.10774	0.8
161.04527	1.3
163.04005	9.4
167.05026	0.8
195.04489	0.5
197.06113	0.7
207.13924	0.5
211.04001	85.1
212.04375	6.0
225.05482	0.6
227.03575	0.8
239.03491	79.1
240.04138	14.5
241.04790	1.1
246.00128	0.5
253.01370	1.5
254.02097	0.9
268.03751	63.9
269.04401	18.1
270.04886	1.2
284.03247	1.0
311.05493	1.2
333.09814	0.7
371.20938	0.5
385.09573	0.7
389.21686	1.3
431.09796	100.0
432.10165	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	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46625	0.7
59.01377	1.8
60.99308	13.2
61.83187	1.0
66.32127	0.8
71.01366	1.1
71.48779	1.1
74.48378	0.8
74.59360	0.8
83.80731	0.7
84.76553	0.8
87.00878	1.1
88.98804	100.0
89.02438	8.8
89.56657	0.8
89.99114	1.4
96.27454	1.0
105.01941	1.5
107.69154	0.8
118.47645	0.9
135.90636	0.8
208.59698	0.9
232.86848	0.9
270.41846	1.0
303.68286	0.8
338.32956	1.0
341.10895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33831	0.7
59.01370	6.2
62.64486	0.7
67.02528	0.9
69.03434	2.6
71.01385	4.7
73.02965	0.9
73.40194	0.9
75.47075	0.8
81.03458	1.3
83.01376	1.4
83.05033	1.6
85.02923	1.9
87.00874	1.2
87.92487	1.1
89.02435	1.8
94.24951	0.8
95.01347	1.0
97.02950	2.1
97.06620	0.9
101.02441	2.2
102.98621	2.1
103.92026	9.8
104.92804	5.7
105.36140	0.8
107.01392	2.0
109.02965	1.0
113.02447	2.2
117.05537	1.9
119.03468	0.8
119.05026	1.4
120.99631	2.1
123.00877	5.9
124.01669	20.3
125.02448	53.0
126.02789	2.1
127.07667	3.0
137.02466	1.7
145.03044	0.9
149.99585	30.1
151.00272	1.8
163.03995	2.2
168.00638	62.0
168.99792	0.8
169.01306	5.3
184.23480	0.9
187.00623	10.8
189.97426	0.8
204.00919	0.8
210.03156	2.4
217.01682	1.4
232.00397	1.9
238.02809	1.6
239.03244	1.4
241.01764	2.0
244.00288	1.2
253.04980	6.7
259.99738	2.0
268.07431	2.9
271.06036	0.9
283.04736	1.4
298.08694	11.0
312.06775	5.0
313.05630	3.0
316.09637	0.9
330.07504	1.4
331.06683	1.3
342.07706	3.1
373.07657	0.9
413.10785	2.3
431.11890	100.0
432.12045	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62647	0.7
57.03436	0.9
59.01381	4.1
71.01386	14.6
71.08565	0.8
72.99294	1.2
73.36223	0.7
75.00867	2.8
79.69971	0.7
85.02964	1.7
87.00881	12.2
87.04499	2.1
88.98816	3.5
89.01941	1.5
89.02454	19.9
101.02402	0.8
105.01949	5.6
109.02950	1.7
112.98839	1.3
113.02427	0.9
115.00376	7.4
115.14313	0.7
117.01965	1.5
119.03529	0.9
133.01465	1.9
133.05077	100.0
134.05399	2.8
135.02995	5.2
149.06075	0.9
153.01917	1.5
175.02489	17.0
341.10825	2.8
410.22952	1.0
431.12024	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02256	0.8
57.03428	1.1
59.01376	19.8
60.99299	2.1
61.98827	8.4
69.23067	8.4
71.01379	14.6
72.99287	1.6
73.02953	1.7
74.02444	2.5
78.95869	0.9
81.03436	1.5
82.02970	0.9
83.01392	1.3
83.02513	2.5
84.00912	1.1
85.02923	5.9
87.00860	5.2
88.98799	17.0
89.01939	1.3
89.02443	18.3
93.03445	1.0
95.01377	2.1
96.00908	1.7
96.80950	1.2
96.96006	0.8
97.02917	1.0
98.02448	2.5
101.02433	4.7
102.42405	1.0
102.98578	2.6
104.16988	0.9
108.02168	48.1
109.02953	38.2
110.03288	1.5
113.02430	3.4
115.00302	1.7
115.08765	6.0
119.03461	1.7
121.02971	2.0
123.00857	2.5
123.04490	2.7
124.01642	2.8
125.01653	0.9
125.02414	5.7
129.10271	1.0
130.08699	7.8
133.05046	8.7
135.02716	1.8
135.04474	1.1
138.09236	1.8
147.04573	1.1
149.06055	2.8
149.99530	2.3
151.03969	1.2
151.07657	0.9
152.01143	61.5
153.01932	31.4
154.02298	1.4
155.08228	1.4
161.02390	1.1
161.04475	1.9
163.03976	2.5
165.01884	2.0
168.00650	5.5
169.09789	1.4
175.91321	1.0
179.03473	0.8
181.09827	2.0
209.04424	1.2
209.08035	1.2
210.03188	2.7
238.02773	2.5
245.04501	1.8
253.05086	6.8
266.08798	0.9
267.07675	1.0
267.09882	11.6
268.07373	3.2
278.94318	0.9
297.06216	6.4
297.10812	5.7
315.07169	12.3
316.07495	1.2
383.19241	3.8
387.09268	7.8
388.09235	1.1
396.17432	1.4
413.20245	8.0
431.11844	100.0
432.12140	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19318	0.8
54.90656	0.8
57.03437	1.4
59.01383	17.9
60.99289	3.8
61.98836	4.4
66.51225	0.8
70.20434	0.8
71.01382	9.0
71.50076	1.3
73.02971	1.6
74.02481	1.0
81.03463	1.6
83.01415	0.9
83.02521	2.6
84.00903	1.1
85.02942	5.8
87.00881	4.1
87.05672	1.0
87.55940	0.9
88.98812	24.3
89.01943	1.2
89.02448	17.0
91.46170	0.9
93.03448	1.5
93.78273	0.9
95.01373	2.7
96.00894	2.1
98.02462	2.2
101.02452	5.2
102.98615	1.1
108.02177	54.4
109.02967	41.2
110.02493	1.6
110.03251	1.5
113.02432	3.7
115.00334	1.5
115.08789	5.8
117.51482	1.0
119.03522	0.9
119.04948	1.1
123.00903	1.3
123.04514	2.2
124.01715	1.8
125.02495	4.3
125.03703	0.9
129.10349	1.6
130.08708	6.4
130.58163	1.0
133.05054	7.1
138.09242	2.8
142.23846	1.0
143.11899	1.0
145.02956	1.3
149.06064	2.2
149.99617	1.5
151.03964	1.3
152.01161	65.5
153.01949	30.0
154.02251	0.9
161.02463	2.3
161.04518	2.8
163.04050	4.5
165.01894	1.1
168.00633	3.0
169.09775	1.4
179.03488	1.2
181.09833	1.5
200.58884	0.9
210.03125	1.0
238.02676	2.0
253.05049	3.6
267.09891	8.0
267.18246	1.0
268.07404	2.8
279.10117	1.2
297.06104	7.5
297.10748	6.0
307.48587	1.0
315.07220	13.9
316.07629	1.5
341.08408	1.4
381.11728	1.1
383.19290	5.5
387.09338	9.7
413.20511	6.3
431.11890	100.0
432.12354	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	431.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
70.32841	0.3
81.53654	0.2
93.03476	0.3
93.83186	0.3
98.19919	0.5
117.03449	3.3
119.05022	43.5
120.05354	1.8
121.02944	1.4
123.04530	0.3
135.04526	0.4
145.02960	1.4
163.03999	100.0
163.72433	0.2
164.04330	4.5
169.82649	0.2
225.71667	0.3
229.32707	0.3
269.08124	0.5
298.59750	0.3
302.96521	0.3
325.09277	0.8
431.13306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40849	0.2
59.01376	4.8
61.98830	0.2
64.97438	0.2
66.60758	0.1
67.26990	0.2
71.01396	0.3
71.09276	0.3
78.01521	0.2
89.02408	0.2
93.03468	0.5
101.02470	0.2
117.03460	2.2
119.05022	43.1
120.05368	1.7
121.02946	0.7
123.04510	0.2
133.02971	0.3
135.04523	0.3
145.02930	0.6
147.88725	0.2
163.04002	100.0
164.04335	5.2
250.42172	0.2
269.08206	0.6
325.09348	0.7
334.93903	0.2
399.67297	0.2
429.78131	0.2
431.13568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39817	0.3
51.40959	0.3
56.49297	0.3
58.74505	0.3
59.01381	6.8
69.76574	2.0
71.01382	0.8
98.20543	0.7
101.02440	0.6
104.73667	0.4
109.02653	0.3
113.02460	0.6
114.19651	0.4
117.03458	4.6
119.05021	44.9
120.05368	2.0
121.02937	1.0
123.04518	0.4
124.99522	0.4
133.02954	0.5
145.02911	1.9
163.03998	100.0
164.04361	5.2
249.05217	0.4
269.08124	0.7
325.09320	0.6
397.93716	0.4
431.13397	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	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19036	0.5
57.03437	1.8
59.01379	12.3
61.98821	0.9
62.82915	0.5
70.50865	0.5
70.51198	1.4
71.01373	0.5
97.06573	0.7
99.08155	19.6
119.05022	4.0
124.01656	1.6
125.09715	5.6
127.07650	21.7
128.07954	0.9
129.05580	66.3
130.05888	2.1
132.16643	0.5
145.08707	2.8
152.01144	10.8
153.01451	0.5
163.04024	7.8
171.06631	6.9
172.06982	0.6
187.09743	4.5
189.07680	100.0
190.08064	4.7
197.06169	0.6
236.27388	0.5
241.05025	0.6
259.06104	45.5
260.06442	3.9
261.13419	1.4
301.07156	5.3
329.08313	0.8
330.08508	0.6
358.08353	1.1
401.10226	3.5
413.12329	1.6
416.12909	2.9
431.13510	15.9
431.22107	2.5
432.13843	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	431.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69727	0.3
54.02475	0.3
59.01376	2.5
64.80512	0.3
69.37990	2.4
72.77699	0.3
90.11967	0.3
93.03461	0.6
95.45342	0.3
98.20626	0.6
117.03460	2.3
119.05022	49.7
120.05347	1.7
121.02946	0.9
145.02940	0.8
146.11801	0.3
147.56505	0.3
163.04001	100.0
164.04330	5.1
269.08264	0.4
287.81223	0.3
411.08258	0.3
431.13663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01377	11.8
61.98833	0.9
71.01369	1.5
71.50735	0.7
74.81168	0.5
83.05038	0.7
85.02937	0.9
89.02452	0.7
90.60020	0.5
97.06564	1.2
99.08160	20.2
100.08513	0.6
119.05018	3.1
119.14539	0.5
123.04515	0.5
124.01662	2.2
125.09727	8.7
127.07654	18.5
128.08017	0.7
129.05580	59.1
130.05923	1.5
145.08696	2.4
152.01154	10.2
153.01534	0.7
163.04008	5.4
171.06598	4.2
187.09740	9.2
189.07680	100.0
190.08057	4.3
259.06088	48.0
260.06516	4.0
261.13394	1.1
331.36349	0.6
431.13611	7.8
431.22372	4.1
432.14258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
50.25931	1.7
55.01871	6.5
56.98022	1.7
57.03449	7.3
58.00586	3.6
59.01379	81.3
61.98821	3.5
70.51337	1.5
71.01380	100.0
72.01729	2.1
72.08089	1.4
72.99310	5.5
73.02949	27.4
74.49226	1.4
75.00849	2.0
79.56583	1.4
81.71414	1.3
83.01379	16.9
83.15937	1.5
85.02949	47.2
87.00854	8.4
89.02439	33.7
89.02953	2.7
95.01402	8.4
97.02972	3.6
98.20693	3.0
99.00883	13.7
101.02440	72.3
102.98580	4.4
103.03982	1.5
111.00877	3.1
113.02450	48.2
119.03499	9.5
119.04979	2.1
123.04485	2.5
124.01630	2.0
125.02441	8.8
128.03584	1.6
131.03523	2.1
133.01407	2.6
135.02699	1.6
143.03525	7.8
149.46519	1.4
151.00371	6.0
153.05556	2.3
159.02991	9.3
161.04565	49.5
161.05911	2.9
162.04872	1.7
163.04013	2.5
168.00603	5.0
169.01413	2.7
179.05588	3.3
181.76166	1.5
201.26013	1.4
209.99911	1.7
216.42850	1.5
221.06699	3.2
259.44470	1.4
269.07474	2.8
269.10287	47.2
270.10663	3.9
400.03845	1.6
412.20847	1.7
413.14856	1.9
431.10583	1.8
431.15881	46.7
431.24054	2.1
432.15829	6.4
459.40689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04601	0.6
59.01384	13.6
60.99298	1.0
61.98840	4.8
71.01376	6.5
71.49665	0.7
72.00913	12.6
72.99313	1.8
75.00876	0.7
78.95882	0.8
79.95759	0.8
80.96527	0.8
81.21480	0.7
84.15977	0.6
85.02952	1.0
87.00882	3.4
88.98805	7.0
89.01256	0.8
89.02445	4.2
93.03458	1.0
101.02480	1.1
105.01904	0.8
108.02216	1.2
109.02961	1.9
112.98959	0.7
113.02492	1.6
115.00352	4.3
119.03492	0.7
119.05025	1.5
121.02941	1.4
123.04504	1.5
124.00680	1.2
125.02423	0.8
128.03497	1.3
133.01421	5.5
133.05072	18.3
134.04723	2.9
135.03047	2.3
137.03545	2.8
139.04010	2.3
146.32207	0.8
147.04530	33.7
148.04849	4.4
149.06126	0.9
151.03935	0.8
152.01138	1.0
163.03990	1.7
164.07167	100.0
165.07556	10.3
175.02414	5.3
179.03477	2.9
181.05109	1.0
209.04517	0.8
269.04147	0.8
389.48337	0.9
431.11664	3.0
432.09720	1.7
432.15021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18571	1.2
57.03446	18.3
59.01374	18.9
61.98814	1.7
78.95905	2.2
83.04958	1.7
86.48607	1.1
88.98786	3.5
98.20697	1.8
99.08150	100.0
100.08485	2.7
119.05048	1.9
121.02945	10.6
123.01011	1.3
123.04517	4.8
127.07645	61.2
127.22179	1.3
128.07954	2.7
129.05576	51.9
143.07156	1.3
152.99550	2.6
153.05542	4.2
161.04607	1.4
163.03949	3.8
171.06622	12.7
189.07607	5.3
197.06105	3.2
198.06860	8.9
199.07521	2.9
209.05888	1.4
215.07074	4.8
226.06400	3.2
227.07089	5.9
229.08688	6.2
230.05753	5.6
245.08165	2.6
248.04578	1.3
259.09714	81.2
260.10043	9.5
355.14786	1.3
386.07822	1.5
401.10123	5.2
407.56534	1.2
416.12573	2.1
431.14783	5.6
444.66049	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.39665	0.2
62.96398	0.5
69.16415	0.6
69.16836	1.8
69.46797	0.3
71.33689	0.2
78.95899	48.6
91.06258	0.3
96.96951	6.4
122.33120	0.2
150.98015	1.4
152.99576	100.0
153.99911	1.6
171.00620	4.0
218.72791	0.3
277.21777	0.7
431.22006	4.4
432.22470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
50.96503	0.3
52.57006	0.2
59.01379	0.4
62.96390	0.3
69.76902	1.5
78.95900	72.9
85.04894	0.3
89.82280	0.2
96.04018	0.3
96.96947	6.1
150.98012	2.0
152.99577	100.0
153.99927	1.8
171.00632	2.7
235.56396	0.2
277.21732	0.9
365.58688	0.3
431.22021	10.5
432.22382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.77380	0.5
59.01376	100.0
60.01705	1.2
69.68371	2.6
71.01377	6.3
73.02943	1.3
76.17994	0.5
79.08263	0.5
83.01411	1.1
85.02937	2.3
89.02444	5.3
90.87976	0.4
93.81363	0.5
99.00886	0.6
99.20384	0.4
101.02438	3.7
113.02454	2.5
119.03464	3.0
119.05024	1.3
137.80061	0.5
161.04549	2.7
163.04039	3.0
163.39473	0.5
179.05644	2.0
227.03482	9.4
228.03886	0.7
255.02989	13.6
256.03601	2.0
284.03256	11.5
284.06094	0.8
285.03851	3.1
371.20660	2.7
374.98392	0.5
389.21613	0.6
431.09793	13.6
431.22833	2.3
432.10312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
58.00597	0.3
59.01377	100.0
60.01720	1.1
61.98827	0.3
62.67936	0.3
66.68549	0.3
71.01377	6.2
72.99301	0.6
73.02946	1.6
83.01392	0.8
85.02960	2.2
87.00882	0.8
87.98883	0.3
89.02435	5.7
93.03463	1.0
95.01402	0.5
99.00888	0.4
101.02442	4.4
109.06583	0.6
113.02445	3.0
115.00394	1.1
117.03489	2.1
119.03617	3.2
119.05023	21.7
120.05333	0.9
121.02955	0.7
123.04486	0.5
131.03477	0.6
143.03462	0.8
145.02945	0.8
149.04512	0.4
151.04007	0.6
161.04570	2.4
163.04001	56.5
164.04337	2.2
164.93709	0.2
170.06349	0.3
175.02438	1.1
175.03813	0.2
178.02699	0.3
179.05565	2.0
209.11841	1.2
251.12772	0.3
269.08246	0.7
277.69171	0.2
371.20566	1.0
380.88007	0.3
389.21774	0.4
397.18042	0.3
431.13803	1.1
431.23047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00066	1.0
57.03443	2.8
59.01378	20.3
62.37581	0.9
63.83605	0.9
71.01384	12.4
72.01701	1.0
72.99316	1.3
73.02931	2.7
83.05022	15.4
83.67786	0.8
85.02957	4.8
87.00856	2.0
87.92524	9.1
88.81247	0.9
89.02445	8.3
95.01398	1.2
95.04958	1.1
97.06583	4.4
99.00900	0.9
99.08157	6.5
101.02432	6.2
102.98646	1.3
103.92031	100.0
104.92803	54.7
105.93571	2.8
106.94351	3.9
111.04543	1.1
113.02455	5.3
113.03606	0.9
113.06080	2.9
114.94849	1.2
115.00353	2.1
119.03500	4.4
119.05045	1.1
120.99637	1.1
123.94635	6.0
125.02460	1.2
125.06058	4.3
127.04009	9.2
127.07656	20.3
128.96428	2.8
129.05569	4.4
130.94368	7.2
133.01454	1.1
139.07584	1.3
142.78200	1.2
143.03487	1.4
151.07558	1.4
153.09166	2.7
154.97975	5.1
156.99567	1.2
158.93839	4.2
159.89398	1.3
160.89305	1.1
160.95422	2.4
161.04533	2.8
163.04031	2.3
168.99576	4.2
171.94630	1.4
172.99026	3.0
179.05597	1.8
184.99083	2.1
187.00624	90.8
188.01230	5.8
188.98526	1.1
197.02744	2.8
197.99872	2.3
198.96945	1.5
199.00624	4.7
199.07628	1.3
200.98561	1.1
204.00876	3.0
209.11723	1.1
211.04265	1.6
215.00107	5.4
216.00836	4.9
217.01616	5.7
218.99632	9.3
224.13510	1.4
229.28328	0.9
232.00389	13.4
241.01675	21.2
242.02007	1.1
243.03181	3.0
244.00328	7.9
255.03139	7.8
259.99857	13.1
269.01160	2.4
280.68259	1.0
283.06421	1.5
286.08713	7.8
298.08710	64.3
299.09000	7.0
312.06641	45.2
312.10333	2.2
313.03717	1.0
313.06998	4.7
316.09763	6.0
326.08118	2.6
328.06311	2.0
330.07678	26.2
331.08051	2.7
342.03674	1.9
342.07660	29.3
343.08078	2.1
370.07227	1.5
372.05014	3.1
373.05862	1.5
385.18414	2.1
386.18939	2.7
388.08081	1.2
415.15897	2.1
432.12677	1.7
432.19244	2.9
433.16653	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	432.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46765	1.0
55.83033	1.2
59.01376	24.8
61.98827	100.0
62.87308	1.2
69.19020	11.4
69.19417	2.2
69.59194	1.2
71.01369	5.2
73.02937	5.6
73.54501	1.5
83.21896	1.2
101.02461	5.9
101.86591	1.1
113.02428	2.4
161.04597	2.1
212.04857	1.6
223.88106	1.2
227.33398	1.2
255.06543	2.6
270.09027	3.3
308.78076	1.3
409.70215	1.5
433.15286	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	432.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28151	0.3
56.81534	0.3
59.01376	3.4
61.98828	3.0
71.01393	1.6
71.50205	0.5
72.99306	0.5
85.02943	0.5
85.24818	0.4
86.02473	5.3
88.98803	0.8
89.02441	1.5
90.91883	0.4
101.02429	1.0
109.02995	0.5
113.02457	0.7
115.00402	0.4
119.03539	0.4
120.01250	26.2
121.01577	0.6
121.06593	4.2
136.27226	0.3
138.05612	0.7
149.06071	100.0
150.06425	5.0
161.04538	0.7
182.04308	0.3
182.05869	1.2
183.04834	22.2
184.05180	1.0
197.08189	2.2
227.03462	0.4
255.06651	0.4
270.07974	3.5
337.30954	0.4
345.10077	3.0
432.13281	20.1
433.13071	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	432.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.60308	1.1
69.03475	1.3
70.63402	3.1
71.01382	14.9
73.02946	15.4
83.01366	3.9
85.02943	2.3
89.02444	10.7
90.68707	1.0
92.49726	1.1
93.03445	2.2
101.02438	13.0
112.78285	1.0
113.02469	6.8
119.03485	3.8
127.35950	1.0
149.04536	3.1
161.04472	6.6
179.05577	4.6
208.89781	1.1
221.06570	2.0
256.03317	1.4
266.10394	1.8
275.74817	1.3
284.11301	3.2
326.12436	6.6
328.21625	1.1
335.56238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.4
61.98826	100.0
62.25034	0.5
62.68881	0.5
69.55216	3.0
69.55613	1.2
69.63110	0.5
69.71610	0.5
71.01385	0.6
86.35729	0.5
89.02435	0.8
101.02419	0.7
136.03978	0.8
143.03540	0.5
209.10971	0.4
214.87915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01719	8.9
61.01790	11.0
61.98835	45.5
71.50220	8.9
76.16734	8.7
78.95911	40.0
89.02425	7.4
110.43986	8.9
117.03468	7.6
119.08943	9.5
125.10233	8.1
152.99573	53.2
331.10028	8.3
338.21979	9.6
434.60178	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	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01381	51.8
60.01719	1.3
61.01804	0.7
61.98825	1.5
65.00327	0.8
69.36118	0.7
71.01381	12.5
72.27443	0.6
73.02958	1.2
77.42181	0.7
83.01394	1.9
85.02954	2.6
85.37656	0.7
87.00884	1.0
89.02445	13.6
89.02952	0.5
93.03461	1.9
95.01348	0.8
98.20710	1.1
99.00899	0.7
101.02448	6.7
107.01395	3.1
108.02197	2.5
109.02951	1.8
113.02439	4.9
115.00394	1.2
119.03493	6.3
119.05050	0.9
121.02940	2.6
121.06593	2.0
133.01436	1.3
135.00851	1.2
143.03462	1.1
147.25542	0.6
148.01672	2.0
151.00360	12.5
152.01085	1.8
159.02979	0.9
159.04381	0.7
159.40500	0.6
159.95866	0.7
161.04532	2.2
163.00400	3.6
165.05569	44.0
166.05861	1.4
169.39886	0.7
178.99867	7.3
179.05623	2.3
195.08174	2.5
199.03954	0.7
203.03453	0.7
211.03961	1.9
211.11298	1.0
213.09224	4.7
215.03348	1.0
216.04495	0.7
226.02719	2.5
227.03371	3.9
229.04929	0.8
229.66306	0.6
241.14374	1.1
243.02975	14.6
244.03435	0.7
245.04643	1.3
253.14430	2.0
254.02203	3.2
255.02980	27.0
256.03302	2.2
271.02475	66.8
271.87891	0.7
272.02786	5.4
273.03986	1.1
273.11301	2.4
283.02530	1.5
299.02078	1.2
300.02737	100.0
301.03476	63.2
302.03986	5.1
313.05640	2.5
317.09961	1.5
324.50974	0.7
327.10907	2.7
433.07712	66.3
433.19739	4.9
434.08072	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	433.1139
Annotation	Naringenin 4'-O-galactoside
Peak:m/z	Relative Intensity
50.57706	0.6
50.84579	0.5
54.06099	0.6
55.01888	1.1
57.03451	1.0
58.00585	1.1
59.01379	100.0
60.01721	2.0
61.01805	1.3
61.98825	20.6
64.52511	0.5
65.00330	1.1
65.47033	0.5
71.01382	28.8
71.50811	1.2
72.99312	2.4
73.02949	4.8
83.01389	3.3
85.02948	6.7
87.00893	2.1
89.02444	15.4
93.03459	1.0
95.01400	2.2
99.00907	1.9
101.02436	14.2
101.06027	0.5
102.65197	0.6
107.01400	1.2
109.02980	2.1
111.00948	1.2
113.02436	8.4
115.00372	16.1
116.00727	0.7
118.46137	0.7
119.03529	5.4
119.05037	1.7
121.02969	0.9
123.00923	1.0
123.04568	0.9
124.01645	1.6
125.02473	2.7
127.00481	1.0
133.01428	22.2
135.04533	1.3
137.02463	1.6
138.03319	0.8
139.00389	3.0
139.04008	1.1
143.03490	1.8
143.05043	1.7
145.02960	1.0
146.03740	0.6
147.04544	0.6
148.01711	0.7
151.00369	3.8
153.02068	0.8
153.05635	1.1
159.03062	0.9
161.04573	6.9
161.05981	1.3
162.03151	1.0
163.04004	1.1
165.01929	18.2
165.03285	1.0
165.05634	0.8
166.02412	1.1
167.03622	0.6
169.12460	0.7
175.03986	0.9
177.05653	1.0
178.99828	0.5
179.05663	2.6
183.08163	0.6
185.06065	5.3
187.04001	1.3
189.01941	0.8
197.06137	1.6
197.11775	6.3
197.13284	0.6
198.06778	3.6
199.07637	1.9
200.08223	0.6
203.03549	1.4
204.04167	0.8
211.03943	1.2
211.07658	0.8
212.04773	0.6
213.09195	24.4
214.09634	2.4
218.05934	1.2
225.05618	1.7
227.07095	4.9
227.10823	1.3
229.12334	15.3
230.12697	1.4
240.04309	3.2
240.08385	0.7
241.05101	1.2
253.05031	3.9
253.09323	0.9
255.02884	1.0
255.06732	0.8
256.07471	1.3
269.04675	0.9
270.05539	0.8
271.06110	50.0
271.19086	1.2
272.06375	3.2
273.11313	16.6
274.11792	1.0
317.10245	12.4
317.13599	0.9
318.10568	1.4
343.08533	1.6
343.27505	0.6
344.08505	0.7
355.08368	1.3
358.10590	3.4
373.12927	11.7
373.22290	1.7
374.13193	0.7
385.13382	1.3
391.23587	1.3
403.10260	1.7
403.14600	1.4
418.12622	3.8
433.11478	13.1
433.15598	8.3
433.20920	4.2
433.25214	2.3
433.61920	0.6
434.11404	1.6
434.16309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.1
60.90916	1.4
61.98822	2.3
69.64783	3.0
69.65198	3.9
69.67924	1.3
71.01384	5.9
72.99310	2.4
75.00893	2.7
78.95907	3.6
85.02959	1.9
87.00912	2.3
89.02441	2.7
96.96007	3.5
96.96954	6.5
99.00820	1.5
101.02463	2.5
108.02190	2.6
109.02954	36.3
113.02454	2.8
115.00368	3.0
119.03439	1.8
120.02167	1.4
123.04536	6.0
127.34073	1.4
134.04753	3.1
135.02972	2.8
135.04495	1.8
147.03065	1.6
147.04503	3.2
147.06653	1.9
148.01669	24.2
149.02379	1.5
150.03249	2.9
151.04024	2.9
153.05577	24.0
154.05894	1.6
163.04016	37.4
164.04344	2.5
165.05562	1.5
166.02721	3.0
175.02504	2.4
179.03487	1.7
181.03464	3.2
181.05075	64.9
182.05403	2.8
192.23164	1.3
193.05067	3.6
196.03825	2.2
211.06128	100.0
212.06485	5.2
223.06049	1.6
235.06158	4.5
240.08908	2.0
321.34610	1.3
433.08035	2.1
433.13348	3.4
434.13425	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	433.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99405	0.6
59.01381	27.7
61.98830	2.3
69.20737	6.2
71.01389	2.0
72.99311	3.3
75.00874	1.8
78.95924	0.7
85.02943	1.0
87.00869	1.2
88.98820	0.9
89.02459	1.3
89.82200	0.6
96.95990	1.2
96.96946	1.0
101.02434	1.3
103.00351	0.7
105.01938	100.0
106.02279	2.0
119.03503	0.8
120.01292	1.6
123.04523	1.1
128.03563	0.8
149.06062	1.2
171.23476	0.6
181.05116	0.9
270.08862	0.7
341.97610	0.6
362.41937	0.7
433.10034	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	433.1502
Annotation	4'-O-Methyldavidioside
Peak:m/z	Relative Intensity
50.75097	0.4
59.01378	7.5
61.98827	11.0
69.45477	2.5
71.01370	2.2
73.02921	0.9
78.30789	0.4
78.41837	0.4
85.02937	0.9
89.02452	0.7
101.02420	1.1
113.02434	0.5
153.07141	0.4
161.04530	0.6
185.05876	0.4
196.05266	1.7
197.06082	7.9
197.75223	0.4
198.06488	0.6
199.04004	0.5
213.05498	1.4
224.04755	3.7
225.05467	0.5
239.07100	6.0
240.04260	22.7
241.04967	8.1
242.05354	0.5
255.06606	67.7
256.07324	30.0
257.07700	2.3
271.09729	100.0
272.10077	8.9
433.15085	1.3
433.24673	0.8
434.11011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20432	2.7
78.95899	51.3
84.70249	0.3
96.96958	5.7
98.55946	0.2
110.54073	0.3
147.89891	0.3
150.97983	2.1
152.99574	100.0
153.99918	1.7
165.79973	0.3
171.00616	4.8
171.01933	0.4
279.23221	1.3
359.42776	0.3
433.23596	6.0
434.24054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
69.92286	1.4
73.71794	0.3
74.12113	0.2
75.91709	0.3
78.95903	57.4
84.36248	0.3
96.96962	6.4
113.00584	0.3
113.02366	0.3
150.98009	2.0
152.99590	100.0
153.99922	2.1
154.44733	0.3
162.72754	0.3
171.00645	3.9
279.23306	1.0
433.23599	4.0
434.23941	0.7
446.60028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03449	0.5
59.01379	100.0
60.01717	1.5
61.98834	2.2
62.92595	0.4
65.12061	0.5
70.67364	0.4
71.01380	10.4
71.50247	0.4
72.99281	0.5
73.02943	2.6
83.01391	1.9
85.02947	3.4
87.00897	0.8
88.86908	0.4
89.02438	4.4
89.02866	0.4
95.01408	0.9
99.00910	0.7
101.02435	5.6
106.82210	0.4
113.02446	4.4
115.00401	1.2
119.03524	1.7
121.02979	1.4
125.02460	0.4
131.03464	0.4
133.01456	1.6
143.03505	1.1
151.00395	0.4
161.04530	3.3
163.04135	0.4
165.01941	2.3
179.05629	0.9
197.11818	4.9
198.06799	0.4
202.53398	0.4
213.09241	1.4
227.07176	0.5
229.12405	0.9
229.18184	1.7
241.04915	0.5
253.05057	0.5
255.06635	0.8
256.07434	0.7
271.06226	3.4
271.09842	1.4
272.06433	0.5
273.11505	1.5
317.10342	2.0
335.17242	1.7
373.13135	0.7
373.22299	5.6
374.22873	1.0
391.23355	4.4
392.23694	0.5
418.12860	0.5
433.10782	0.8
433.15616	1.0
433.24774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.6
61.98828	50.4
69.43192	1.7
69.43623	2.2
71.01392	4.5
73.02928	1.9
83.01355	0.8
85.02937	1.7
87.00880	0.6
89.02446	0.6
93.03462	2.5
95.01402	1.3
98.20730	0.8
101.02412	2.4
108.02165	0.9
113.02449	1.9
120.02161	0.7
121.02953	40.3
122.03739	7.3
123.00854	1.0
123.04536	0.9
124.02307	0.6
125.02438	1.7
127.07660	0.5
129.05582	1.2
136.05270	2.1
137.02472	2.6
137.06087	4.4
149.02422	2.2
150.76157	0.5
151.04002	9.2
151.07625	0.7
153.01883	1.6
153.05592	0.9
154.02661	0.8
161.04539	2.2
167.03487	1.3
168.04434	0.6
182.03639	1.0
183.04549	0.9
196.04048	0.6
197.06200	0.6
198.03227	1.4
199.03961	1.3
201.01961	0.9
204.06752	0.5
208.04001	1.3
209.04753	1.1
210.03285	1.1
210.05476	0.7
211.04037	2.7
212.03529	0.6
213.05566	0.9
224.03529	1.5
225.04289	1.5
226.02657	1.5
226.05019	2.4
227.03583	3.1
227.05446	0.6
228.06648	1.4
229.62074	0.5
236.03400	0.9
237.04242	4.6
241.04990	3.2
242.05341	1.5
252.03004	0.6
253.03780	1.8
254.04561	31.6
255.05025	2.3
256.07364	0.7
257.04550	0.6
257.07819	1.0
258.08942	20.9
271.04846	43.7
271.99277	0.6
272.05560	16.4
272.10150	1.5
273.11304	100.0
314.06750	2.1
365.41937	0.5
434.10895	83.2
435.11218	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.5
59.01377	76.5
60.01717	7.9
61.01789	4.3
61.98828	45.8
65.95150	1.6
69.13386	15.3
71.01374	25.1
71.04986	1.5
72.01704	1.6
72.99313	1.5
73.02938	5.9
75.77510	1.4
76.14908	1.3
83.01397	2.0
83.05013	1.5
85.02942	10.1
87.00883	1.7
87.89066	1.5
88.14274	1.4
89.02451	20.5
90.14490	1.2
95.01404	1.5
99.00848	2.7
99.08159	49.9
101.02435	17.4
101.06078	2.8
113.02431	9.9
119.03485	7.2
119.04977	1.4
127.07647	63.5
129.05579	100.0
133.92300	1.6
138.03136	1.6
153.05562	38.0
161.04514	11.1
171.06619	16.8
179.05620	3.2
229.05055	2.2
229.08672	1.3
255.15958	5.6
256.03366	2.5
257.04483	6.0
263.11340	12.7
271.02325	1.8
271.06204	1.9
271.09338	1.3
272.02731	7.0
272.06778	5.3
272.09692	2.4
300.02652	2.0
301.03165	11.5
302.03714	5.4
417.17374	3.6
434.08197	7.5
434.25214	1.9
435.12637	6.9
435.17667	30.8
435.23309	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.2
57.89100	1.5
59.01378	76.9
59.66243	1.5
60.01714	10.0
61.01789	5.9
61.98830	46.9
71.01009	2.5
71.01379	28.6
71.05188	2.5
71.05541	1.4
72.01723	2.3
73.02935	5.4
83.01374	2.4
85.02948	10.8
87.00864	2.4
89.02435	18.2
90.02783	3.3
92.04858	1.7
99.08156	62.4
101.02438	13.0
101.06067	4.8
113.02413	11.5
119.03484	7.6
127.07645	70.9
129.05579	100.0
143.03493	1.9
153.05571	38.9
159.02989	1.6
161.04536	13.4
163.03961	2.0
167.03522	2.1
171.06618	17.7
179.05626	2.2
201.10120	1.9
235.17166	2.0
255.03163	1.8
255.15872	5.2
257.04523	6.6
263.11313	14.7
272.02762	7.4
272.06851	5.3
272.09885	2.3
281.09378	1.7
300.02686	4.3
301.03195	10.7
302.03738	6.1
308.92331	1.6
394.65506	1.7
417.17532	3.8
434.08008	7.0
434.20334	2.0
435.12769	4.6
435.17743	31.7
435.23303	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	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83387	0.7
59.01378	12.5
60.01697	1.9
61.98825	100.0
62.57857	0.8
69.55054	5.7
71.01380	3.3
73.02956	1.0
85.02925	0.9
89.02434	2.5
95.01343	0.8
98.19966	1.0
99.08151	2.5
101.02430	2.0
102.02787	0.9
113.02444	1.1
119.03481	0.8
127.07632	2.6
129.05565	3.3
153.01924	2.7
153.05586	0.9
161.04697	1.2
171.06651	1.2
177.80592	1.1
179.05592	1.2
229.08627	1.7
230.09010	3.2
241.04521	1.2
255.06561	0.9
256.06989	1.5
272.06433	2.9
272.10037	3.2
273.05884	1.0
315.07199	1.6
435.18524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	Tricornoside E
Peak:m/z	Relative Intensity
55.14916	1.1
59.01377	15.6
59.78709	1.4
59.89095	1.4
61.98827	10.5
68.72674	1.4
69.58833	4.0
69.59239	5.0
70.90255	1.3
71.01378	7.9
73.02940	1.5
78.28177	1.5
85.02937	3.1
87.00868	1.3
89.02442	5.2
93.03452	2.3
96.70053	1.3
99.00905	1.9
101.02408	6.2
113.02478	3.9
119.03549	2.4
143.04990	3.7
146.22884	1.3
149.06075	1.4
150.06438	1.8
151.00394	2.1
159.04449	3.8
161.04523	3.3
165.05537	1.7
175.00224	1.3
183.04501	45.4
184.05281	69.1
185.05930	9.1
199.03937	2.2
201.01920	9.9
201.05585	4.0
202.02713	17.0
203.03282	2.7
211.03931	1.5
212.04793	1.8
213.01886	1.4
214.02739	6.3
227.03476	27.1
228.04176	18.7
229.05035	100.0
230.05415	8.8
243.52100	1.4
273.04327	1.9
273.07791	1.9
347.11298	1.7
365.08710	5.3
391.10361	23.4
392.10571	2.6
435.09714	2.0
435.18716	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	435.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03407	0.2
51.27279	0.2
51.55917	0.2
55.38070	0.2
59.01377	3.8
61.98828	0.3
65.00327	0.7
67.01881	0.9
68.99805	0.3
71.01371	3.0
73.02910	0.6
77.05524	0.2
81.03449	0.3
83.01372	0.6
85.00447	0.2
85.02960	0.9
89.02446	0.9
91.01888	7.2
92.02269	0.3
93.03472	0.7
95.01408	1.3
95.61720	0.3
99.08135	0.4
101.02439	0.8
107.01374	2.6
108.02161	2.1
109.02934	0.4
111.00877	1.1
113.02455	1.0
115.00372	1.5
119.05032	0.7
123.00928	1.7
123.04516	27.8
124.01665	0.6
124.04858	0.9
125.02439	0.7
127.07671	0.6
129.05595	0.6
133.01407	0.4
139.00343	0.4
151.00349	0.9
152.01144	1.8
153.05527	0.4
161.04579	0.7
163.03976	0.9
165.01924	1.1
166.02716	0.4
167.03481	100.0
168.03851	4.3
171.06567	0.4
180.04276	0.8
195.06621	0.8
211.07610	1.3
225.07623	0.4
255.06625	0.6
257.04520	0.7
258.05301	0.4
263.11472	0.3
265.08774	0.5
272.06680	0.3
273.53934	0.3
291.03854	0.3
319.13861	0.3
327.08694	1.9
329.08740	0.7
399.91962	0.3
435.13422	1.3
435.17950	0.5
435.23035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23370	0.4
59.01381	16.1
69.03462	0.6
71.01377	4.8
71.27659	0.9
73.02950	8.6
75.85072	0.4
83.01392	1.2
85.02936	1.0
86.68784	0.4
89.02443	0.5
99.08144	1.2
101.02442	6.2
113.02469	1.2
125.02487	0.7
127.07656	100.0
128.07967	3.2
129.05600	1.5
143.03497	0.7
145.08731	1.1
153.05568	0.8
161.04550	0.7
165.01883	0.7
171.06628	75.7
172.07002	2.7
175.45134	0.5
203.05528	0.6
208.90240	0.5
230.55042	0.4
272.06946	0.5
391.16040	1.0
397.43225	0.5
435.15045	22.2
436.15274	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	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
61.98832	3.1
66.33720	0.4
67.77002	0.4
69.73795	1.6
71.01376	4.7
73.02927	1.1
80.77792	0.4
83.01379	0.7
84.15340	0.4
85.02944	1.5
93.03458	2.4
95.01379	1.8
101.02438	1.7
108.02178	1.1
113.02424	1.6
120.02162	1.2
121.02953	46.9
122.03786	8.9
123.00838	0.8
124.01632	0.7
125.02406	1.4
136.01643	0.6
136.05287	2.9
137.02452	2.4
137.06090	4.1
149.02451	2.7
151.04007	12.6
151.07632	0.6
152.04317	0.7
153.01949	2.3
154.02711	1.0
159.02954	0.8
161.04541	2.1
254.04549	0.7
255.04869	0.8
258.08957	21.1
259.09286	2.2
271.04630	0.5
272.05249	1.6
273.11310	100.0
274.11664	9.9
435.11166	3.1
453.29788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.0
57.03444	8.1
59.01381	7.6
64.45238	0.9
67.19726	0.9
69.76007	1.8
69.76300	5.3
71.01386	5.7
73.02936	1.7
73.06142	1.1
81.10316	0.9
83.01392	1.3
85.02941	4.3
86.53327	0.8
89.02448	2.6
98.19928	1.0
99.00896	1.0
99.08157	50.6
100.08504	1.6
101.02428	5.0
101.06105	2.0
107.02894	0.9
113.02436	3.9
119.03468	2.0
127.07651	66.7
128.07983	3.2
129.05577	100.0
130.05919	4.0
138.14278	0.9
153.05576	45.9
154.05925	1.4
159.03011	1.0
161.04564	10.9
171.06624	21.0
171.17931	1.0
179.05605	3.1
181.82394	0.9
194.51733	1.2
263.11334	16.4
346.01532	1.0
417.17606	5.0
435.18665	53.3
436.18961	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08764	0.5
54.08815	0.5
55.01904	0.6
57.03448	17.1
59.01378	7.5
69.15540	4.8
71.01014	0.9
71.01382	13.9
71.05021	1.2
72.99291	0.8
73.02950	3.4
77.22541	0.5
83.01377	1.5
83.05009	1.9
85.02950	6.1
87.00898	0.6
89.02435	2.2
92.27144	0.5
92.51936	0.5
95.01369	1.0
99.00896	1.6
99.08154	79.2
100.08506	3.8
101.02434	9.2
101.06091	4.6
105.56570	0.5
107.19189	0.5
109.06612	0.6
113.02444	6.5
119.03471	0.7
127.07651	100.0
128.07977	3.8
129.05579	29.6
130.05920	1.0
136.99953	0.5
138.03220	1.0
143.03471	1.0
153.05568	50.8
154.05934	2.6
159.03024	1.6
161.04547	14.1
165.38751	0.5
171.06619	23.5
171.08096	1.2
172.06956	0.8
179.05525	1.0
185.41048	0.5
263.11343	21.0
264.11694	1.6
396.30222	0.6
430.10431	0.6
435.18567	9.9
435.23807	0.8
436.19217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.187
Annotation	Ambiguine E isonitrile
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	10.7
59.01383	11.9
61.98838	1.9
62.36391	0.6
66.61632	0.7
71.01378	10.0
71.05560	2.0
73.02953	2.7
83.01424	1.3
83.05045	1.2
85.02972	5.8
89.02442	2.1
95.01378	1.1
97.04518	0.7
99.00922	1.3
99.08162	53.5
100.08505	2.5
101.02444	4.9
101.06091	3.7
109.06625	0.8
113.02454	4.4
127.07654	66.1
128.07980	2.0
129.05585	100.0
130.05879	3.8
138.03125	0.7
143.03511	0.8
153.05579	37.3
154.05942	1.7
159.03020	1.7
161.04565	8.8
171.06619	15.7
172.06956	1.0
263.11334	14.8
264.11673	1.1
417.17834	3.1
435.18671	35.6
435.24747	1.8
436.19006	4.7
450.30966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03162	0.7
57.03445	12.5
58.69425	0.3
59.01377	13.1
61.98824	1.9
71.01379	11.2
71.05005	0.9
73.02949	3.2
74.69210	0.4
81.07074	1.0
83.01378	1.4
83.05015	1.3
85.02952	4.5
87.04534	0.4
89.02453	1.1
94.83171	0.4
95.01372	1.0
98.20626	1.3
99.00879	1.2
99.08152	63.3
100.08469	2.1
100.54566	0.4
101.02435	7.0
101.03033	0.8
101.06082	3.4
109.06587	1.1
109.33157	0.4
113.02440	4.9
119.03513	0.5
120.25880	0.3
127.07648	69.2
128.08006	2.8
129.05574	100.0
130.05914	3.8
130.19176	0.4
138.03194	0.7
143.03517	0.9
153.05565	44.1
154.05896	1.7
159.02962	1.2
161.04536	11.6
171.06612	18.9
172.06961	0.8
179.05463	0.4
189.07709	0.7
263.11325	16.4
264.11716	1.0
307.10324	0.6
316.05319	0.4
324.82706	0.4
417.17639	3.6
421.21893	0.4
435.18646	40.9
436.19009	4.9
445.74390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14120	0.7
53.57578	0.7
59.01373	1.0
69.84659	0.8
70.45776	2.4
78.95899	36.6
93.03419	2.1
96.95997	3.6
96.96969	2.4
121.02946	10.5
123.84824	0.9
131.43446	0.8
152.99582	52.7
171.00581	1.1
277.21713	100.0
278.22034	12.1
343.23309	0.8
435.25320	4.5
456.48270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.2
71.50898	0.3
71.51254	0.2
73.61523	0.2
78.95905	52.7
89.28442	0.2
96.95989	0.5
96.96964	6.2
107.98820	0.2
117.00611	0.2
120.00040	0.2
150.98016	1.5
152.99586	100.0
153.99905	1.5
171.00650	4.0
188.56017	0.2
195.89795	0.2
196.33746	0.2
281.24844	0.6
282.25314	0.3
435.25113	7.2
436.25320	0.7
445.54391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
57.69557	0.2
71.27690	0.5
72.95975	0.2
74.25458	0.2
78.95904	50.6
96.96969	6.7
104.15144	0.2
108.02713	0.2
108.11206	0.2
132.43605	0.2
150.98022	2.1
152.99583	100.0
153.99931	1.4
160.55061	0.2
171.00636	4.4
281.24768	0.7
435.25079	6.0
436.25305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.8
61.98826	100.0
70.68432	1.7
71.01383	3.5
71.95991	0.7
85.02970	1.3
87.00893	1.2
89.02447	2.5
94.49449	0.8
95.01371	0.7
96.95982	0.7
101.02462	2.6
103.92038	0.8
111.00906	1.9
115.00397	0.6
116.92854	1.7
119.03497	0.6
119.05030	1.1
123.04524	0.9
123.56546	0.6
127.96220	0.6
128.03522	0.9
161.04546	1.0
163.04073	0.8
171.04530	0.7
178.02786	1.9
179.05629	0.7
193.05101	6.5
221.70132	0.7
231.06647	1.0
257.04596	1.7
275.05563	0.7
285.30444	0.8
309.92047	0.7
373.11273	1.6
388.02591	0.7
412.06473	0.7
436.19742	0.9
437.10904	2.3
437.20868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1085
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03443	0.8
59.01368	0.9
63.02392	0.6
65.00317	3.2
69.14401	5.8
81.03465	1.8
83.01390	2.9
86.06899	0.7
91.41447	0.6
93.03477	5.8
107.01382	1.7
119.05005	3.7
125.02437	10.5
137.02473	6.5
143.05022	1.2
145.06570	3.0
147.04520	13.8
148.04846	0.7
151.00352	10.4
151.04047	1.0
152.00752	1.0
163.00378	2.0
163.07613	1.0
169.06511	0.7
171.04506	17.1
172.04817	1.5
175.00351	1.5
179.60828	0.6
181.01405	1.7
187.03958	0.6
189.05586	10.4
193.01419	1.1
213.05525	1.9
228.03996	0.8
230.05829	1.8
231.06601	34.5
232.06950	2.2
257.04544	44.6
258.04825	3.4
274.04846	1.8
275.05576	7.5
276.05820	0.6
281.04575	6.0
299.05627	2.3
331.06555	0.8
437.10855	100.0
438.11169	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	437.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16940	0.4
55.76479	0.4
57.03452	0.9
59.01379	0.8
69.29052	3.9
81.35744	0.4
99.08160	12.2
100.08516	0.7
101.06050	0.4
123.04553	1.3
127.07657	12.3
129.05580	38.2
130.05949	2.0
145.01414	0.4
145.08711	1.8
153.05643	0.5
156.64072	0.4
171.06601	2.8
189.07681	100.0
190.08020	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	437.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91533	0.6
57.03442	2.3
57.33352	0.6
58.00577	0.6
59.01378	14.4
61.98825	1.9
63.30207	0.6
71.01381	8.5
72.99277	0.6
81.13205	0.7
83.01391	1.0
85.02955	2.2
86.26827	0.5
87.00919	0.8
89.02441	5.8
95.01434	1.5
98.19951	1.6
99.08158	7.8
99.28918	0.6
101.02444	4.4
109.02969	1.0
111.00913	1.4
113.02455	3.2
119.03500	1.8
122.03758	1.2
123.04544	1.6
127.07640	5.6
129.05576	16.1
130.05908	0.9
131.06067	0.7
137.02446	1.6
137.06079	1.1
151.03925	0.6
153.05571	4.3
158.03716	0.8
159.04503	3.4
161.02486	1.1
161.04555	1.2
171.06613	1.4
172.05293	16.8
173.06070	3.1
174.75179	0.7
175.03918	0.9
183.04488	4.9
186.03168	1.1
186.06961	0.9
187.04195	3.2
187.07631	97.9
188.07985	6.4
189.01967	0.8
189.05571	2.4
198.06889	0.9
199.03993	6.8
200.04752	7.6
201.05490	2.2
202.06339	3.9
204.04236	2.3
211.03992	2.1
211.07607	1.6
213.09206	10.6
214.06331	1.1
214.09465	0.8
215.07094	16.4
215.09033	1.2
216.07515	1.5
227.03513	12.6
228.04231	6.3
229.08675	4.4
231.06645	10.5
231.10205	10.2
232.03661	0.9
232.07040	0.8
232.10683	0.9
257.08176	100.0
258.08502	8.2
259.23993	0.7
265.12866	1.9
273.07654	5.6
275.09274	10.1
333.09918	1.0
393.11871	10.1
394.12253	1.2
419.18640	0.6
437.14371	2.6
437.20151	5.4
437.24670	2.3
438.14624	1.1
438.20093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.6
58.17564	0.7
59.01380	10.6
69.20980	6.8
71.01381	6.9
71.04026	0.7
73.02937	2.6
78.56834	0.7
81.07121	1.5
82.33804	0.9
83.01360	1.0
85.02943	3.9
99.08157	37.4
100.08512	1.2
101.02454	6.2
101.06062	1.0
101.81158	0.9
109.06541	1.0
113.02457	3.1
119.05005	0.8
127.06711	1.7
127.07654	32.8
128.08023	1.8
129.05582	100.0
130.05911	3.0
133.60739	0.7
153.05574	24.3
159.02950	0.9
161.04520	3.5
171.06644	8.4
172.05284	2.6
172.06828	0.9
187.07646	17.0
188.07912	1.0
199.03967	2.0
200.04674	1.6
204.13934	1.1
213.09180	2.2
215.07101	3.1
227.03366	2.2
229.08571	1.0
231.06534	2.0
231.10233	2.8
257.08194	14.7
258.08444	1.5
265.12939	15.9
266.13181	1.2
275.09195	1.1
276.12387	1.1
327.34454	0.8
337.13080	1.0
393.11942	1.6
419.19302	4.0
437.20184	41.1
438.20624	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	437.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57473	0.8
55.00114	0.7
55.01871	1.0
57.03452	7.2
59.01374	11.4
59.64537	0.8
61.98809	1.5
69.18693	5.1
69.19116	2.9
71.01378	7.1
73.02938	3.4
74.74771	0.8
77.36854	0.9
83.01381	1.6
85.02947	4.7
89.02419	1.9
98.20605	1.5
98.46884	1.0
99.00835	1.2
99.08154	36.8
100.08486	1.4
101.02450	6.2
101.06091	1.7
109.06520	1.0
113.02429	2.8
119.04980	0.9
123.67518	0.8
127.03963	0.8
127.07652	38.1
128.07936	1.2
129.05582	100.0
130.05882	2.9
138.03188	1.1
153.05580	25.0
161.04503	2.4
171.06609	9.4
172.05298	2.0
187.07646	13.5
199.04030	1.3
200.04778	1.0
213.09155	1.7
215.07095	2.5
226.54175	0.9
227.03319	1.4
229.08641	1.0
231.06612	1.6
231.10149	2.2
247.22133	0.8
257.08133	13.2
265.12881	15.6
275.09271	1.7
323.63562	1.0
351.07007	0.9
393.11716	1.7
419.19257	4.0
437.20074	44.4
438.20465	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	438.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75428	0.4
59.01376	1.1
61.98829	100.0
71.01388	1.4
71.48685	0.5
78.95905	14.2
79.95746	0.6
82.52159	0.5
89.02462	0.6
90.97145	0.7
96.96020	21.3
96.96976	29.5
97.61125	0.5
105.01948	0.6
118.96634	3.2
119.05000	0.6
121.90506	0.4
132.98225	1.1
156.98228	0.6
160.97736	1.0
217.00287	3.4
257.04590	0.6
259.01382	1.1
283.40079	0.5
318.88031	0.5
382.90372	0.5
395.15726	1.1
438.10898	0.9
439.18433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
65.92609	0.3
71.55283	0.3
78.04533	0.3
78.95901	16.9
98.19862	0.6
101.50219	0.3
122.00126	0.8
140.01189	4.7
152.99599	1.8
196.03792	9.4
197.04189	0.5
206.06180	0.3
214.04794	2.0
238.90439	0.3
241.21710	100.0
242.22034	8.5
301.32315	0.3
438.26230	22.5
439.26532	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	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61630	0.3
70.37525	1.0
73.73017	0.4
78.95908	21.4
79.95729	2.6
96.96006	100.0
96.96957	47.2
105.01959	0.4
106.54163	0.3
143.58896	0.3
439.07901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72828	0.3
69.54877	0.7
69.55283	1.3
71.35973	0.3
78.95900	46.2
79.95734	1.1
81.62881	0.3
88.50781	0.3
88.81648	0.3
93.73608	0.3
96.96012	44.0
96.96957	100.0
97.77077	0.3
101.77707	0.3
111.20046	0.3
127.10614	0.3
159.12776	0.3
184.43520	0.3
192.66733	0.3
239.13097	0.3
251.47243	0.3
297.82721	0.3
413.55887	0.3
439.08588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06346	0.1
67.87868	0.1
69.03465	0.3
69.51437	1.0
71.01385	0.5
73.02943	0.2
77.03988	0.2
79.05536	0.5
81.07095	5.3
82.07426	0.2
83.05025	1.4
85.02953	0.3
86.91480	0.1
91.19241	0.1
93.03467	0.5
94.04253	0.6
95.05039	0.5
101.02457	0.3
105.03482	0.4
109.06592	7.2
110.06938	0.3
113.02408	0.2
118.14865	0.1
121.02946	0.4
123.04527	16.8
124.04864	0.6
125.06074	0.4
127.07656	13.8
128.08026	0.5
138.03229	7.8
139.03558	0.2
149.02434	0.2
153.05577	100.0
154.05910	4.4
154.06870	0.1
155.07141	0.2
161.04559	0.5
171.06630	15.9
172.06935	0.6
187.11340	0.3
197.04477	0.2
226.44402	0.2
233.11768	0.1
305.38245	0.1
404.66064	0.2
439.16086	7.5
440.16467	0.9
461.29431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.22564	0.3
61.98829	0.9
62.79977	0.4
66.79824	0.3
69.78709	1.5
71.01385	0.5
73.02951	0.5
78.98818	0.3
81.07095	5.8
83.05016	1.4
85.02964	0.5
89.43293	0.4
94.04231	0.7
95.05037	0.4
97.76935	0.4
105.03481	0.5
109.06584	5.9
123.04526	17.2
124.04795	0.4
127.07645	5.3
138.03239	7.6
153.05579	100.0
154.05922	4.1
161.04639	0.7
167.78519	0.4
171.06644	5.8
189.07660	0.8
226.06406	1.6
241.08711	2.2
297.74768	0.4
439.16064	6.6
440.16333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
71.01397	0.6
76.77672	0.5
77.37756	0.5
81.07097	3.4
82.92011	0.5
83.05022	0.9
93.03484	0.7
94.04232	0.9
98.20721	1.6
99.51740	0.7
109.06580	7.4
115.33762	0.5
123.04521	12.7
127.07644	96.0
128.07980	3.7
138.03221	9.2
153.05562	89.7
154.05936	3.8
161.04607	0.9
171.06615	100.0
172.06996	4.5
211.13371	1.3
229.14441	1.4
231.43846	0.6
249.68706	0.5
333.11942	0.9
356.86935	0.6
439.16031	22.1
440.16470	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49397	0.4
59.01373	1.1
61.09422	0.4
69.46687	3.4
71.01361	0.5
73.02983	0.6
81.07095	4.0
82.89803	0.4
83.05028	1.3
85.36880	0.4
89.02428	0.5
93.03471	1.1
94.04244	0.7
95.05038	0.9
98.19863	0.5
109.06589	5.6
123.04520	11.9
124.04891	0.7
125.06033	0.6
127.07656	100.0
128.07999	3.5
128.73769	0.5
138.03226	7.4
147.15709	0.5
149.02487	0.8
153.05577	87.8
154.05910	4.0
171.06627	99.4
172.06963	4.1
280.66821	0.5
321.86588	0.5
333.11664	0.6
425.89981	0.5
438.82700	0.5
439.16077	21.8
440.16391	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54757	0.5
59.01373	2.0
71.01375	1.1
81.07082	3.6
83.05017	1.7
94.04259	0.7
95.05058	0.7
98.20765	1.0
107.22285	0.5
108.29814	0.5
109.06588	6.3
110.00046	0.6
121.37549	0.5
122.86396	0.5
123.03637	0.7
123.04527	13.5
124.04800	0.5
125.85334	0.6
126.91932	0.5
127.07649	94.0
128.08000	3.0
138.03223	7.9
153.05569	87.7
154.05896	3.7
155.30042	0.5
161.01643	0.5
171.06622	100.0
172.06979	4.2
198.29344	0.5
230.00963	0.5
281.62186	0.5
439.16080	24.2
440.16602	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	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82515	0.4
59.01372	1.2
61.98826	0.5
66.51990	0.5
69.03426	0.5
71.01368	0.7
74.39554	0.4
81.07085	4.2
82.60472	0.4
83.05030	1.5
85.02954	0.5
93.03465	0.7
94.04228	0.6
95.05025	0.7
96.01180	0.4
96.95996	0.4
105.01940	0.9
109.06583	6.1
110.06916	0.4
114.05605	4.0
123.04517	15.7
125.06065	0.7
127.07645	78.1
128.07985	3.1
129.10339	1.0
138.02238	0.8
138.03218	8.3
153.05566	100.0
154.05919	5.0
171.06615	77.8
172.06976	3.3
175.07477	0.6
229.41270	0.5
257.39355	0.5
306.65103	0.5
439.16034	19.1
439.29105	2.0
440.16559	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30661	1.7
55.01862	3.4
55.06816	1.8
57.03450	11.8
59.01378	59.9
68.25888	1.6
68.56789	2.0
71.01375	41.7
72.01711	1.9
73.02946	13.0
75.00850	3.3
80.91655	3.2
83.01371	7.8
85.02946	21.3
86.89642	1.7
87.00884	3.7
89.02451	19.1
95.01400	3.0
99.00854	3.9
99.08150	42.1
101.02430	44.4
105.05571	4.3
109.06563	2.2
113.02448	17.6
114.05588	3.2
119.03476	6.8
123.04515	4.3
125.02394	3.2
127.07649	80.1
128.07996	2.9
128.41927	1.8
129.05580	100.0
130.05887	3.1
135.02972	12.1
153.05565	40.3
153.89427	2.0
154.05925	2.1
159.02876	2.7
161.04550	20.0
164.74007	1.8
170.04529	3.6
171.06607	19.2
179.05568	2.3
179.07088	2.0
201.11267	2.5
235.11929	8.7
249.09824	2.4
265.60870	1.9
267.10825	93.4
268.11142	5.1
321.15347	3.0
397.17126	22.3
398.17084	2.6
421.17151	2.3
439.18158	54.9
440.18457	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30661	1.7
55.01862	3.4
55.06816	1.8
57.03450	11.8
59.01378	59.9
68.25888	1.6
68.56789	2.0
71.01375	41.7
72.01711	1.9
73.02946	13.0
75.00850	3.3
80.91655	3.2
83.01371	7.8
85.02946	21.3
86.89642	1.7
87.00884	3.7
89.02451	19.1
95.01400	3.0
99.00854	3.9
99.08150	42.1
101.02430	44.4
105.05571	4.3
109.06563	2.2
113.02448	17.6
114.05588	3.2
119.03476	6.8
123.04515	4.3
125.02394	3.2
127.07649	80.1
128.07996	2.9
128.41927	1.8
129.05580	100.0
130.05887	3.1
135.02972	12.1
153.05565	40.3
153.89427	2.0
154.05925	2.1
159.02876	2.7
161.04550	20.0
164.74007	1.8
170.04529	3.6
171.06607	19.2
179.05568	2.3
179.07088	2.0
201.11267	2.5
235.11929	8.7
249.09824	2.4
265.60870	1.9
267.10825	93.4
268.11142	5.1
321.15347	3.0
397.17126	22.3
398.17084	2.6
421.17151	2.3
439.18158	54.9
440.18457	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86299	0.6
55.01875	1.3
57.03449	3.4
58.00579	1.1
59.01377	23.8
69.03458	3.1
69.16640	1.5
69.17060	4.5
71.01380	17.0
71.04996	0.9
72.99306	15.6
73.02935	1.6
75.00861	0.8
81.03450	6.0
83.01385	9.4
84.02152	1.4
85.02948	38.7
86.03271	0.8
87.00862	1.6
87.04482	1.0
89.02446	14.9
94.18768	0.6
97.02952	6.1
99.04523	7.3
101.02436	2.0
101.57372	0.5
112.91692	0.7
113.02447	1.7
115.03966	0.6
125.02415	1.5
126.81993	0.7
129.01910	1.7
131.03499	20.9
143.03484	12.8
159.03020	1.3
161.04546	74.4
162.04871	2.2
179.05576	4.5
277.21701	100.0
278.22046	10.1
291.23367	2.0
314.66116	0.7
439.26968	54.6
440.27304	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	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
71.01384	6.0
71.05820	0.9
71.06155	0.5
73.02941	1.7
73.24780	0.5
75.00876	1.7
83.01405	0.5
83.09397	0.5
85.02938	1.2
89.02425	1.1
92.54628	0.4
101.02456	1.6
113.02444	2.7
116.18571	0.5
120.96195	0.5
121.49986	0.6
127.07648	0.5
128.55898	0.5
132.38419	0.5
152.45946	0.5
154.48378	0.4
161.04575	0.6
171.06750	0.5
218.63412	0.4
277.21713	100.0
278.22052	10.3
291.23343	5.0
292.23743	0.6
293.11618	0.5
301.21765	0.8
303.23099	0.6
308.71976	0.5
319.22830	2.7
331.22742	3.4
349.23703	0.5
357.13654	0.4
402.74573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20008	4.2
59.01379	20.8
59.05362	4.0
61.98823	7.3
69.61291	6.7
69.61696	18.9
71.01375	20.3
72.47540	4.5
73.02945	8.0
75.00880	7.4
76.20321	4.0
89.78736	4.2
101.02432	6.8
109.06560	4.0
113.02464	17.9
120.44930	4.3
138.64853	4.3
145.02892	7.6
210.12418	4.4
273.22284	5.3
277.21710	100.0
278.22064	9.6
278.88211	4.5
291.23373	15.5
313.79938	4.4
319.22873	13.1
327.19086	5.2
331.22745	16.6
349.23798	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98826	0.3
67.64909	0.2
70.86461	0.6
71.01381	0.8
73.02967	0.3
74.49783	0.2
82.03939	0.2
85.02985	0.4
96.36370	0.2
101.02451	0.4
113.02454	0.4
123.63907	0.2
233.22624	0.4
244.97289	0.2
259.20667	0.4
275.20193	0.5
277.21716	100.0
278.22061	9.5
291.00504	0.3
301.15457	0.2
344.73691	0.2
439.35089	0.2
454.64090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55995	0.9
70.56327	0.5
71.01385	8.3
78.95907	0.9
93.03480	0.5
96.96000	0.8
96.96954	1.1
98.95597	1.3
98.97370	0.5
103.31342	0.4
115.00378	7.2
119.05029	84.4
120.05358	4.2
163.04008	100.0
164.04372	4.2
325.09286	11.6
326.09491	0.7
441.10153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88930	0.4
53.83322	0.4
59.01349	0.5
69.75877	1.7
71.01387	14.7
72.99309	1.3
77.04156	0.4
89.02462	0.4
93.03474	0.7
115.00383	5.2
119.05033	74.6
120.05367	3.4
127.02180	0.4
132.31360	0.4
135.89891	0.3
163.04025	100.0
164.04356	4.7
325.09323	2.0
331.02786	0.4
441.19171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37643	0.4
70.78553	1.2
71.01382	8.2
76.32043	0.5
115.00375	8.1
119.05029	98.8
120.05383	4.3
163.04013	100.0
164.04349	5.5
192.89386	0.5
214.07701	0.5
325.09271	12.4
326.09497	0.7
407.48148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55695	0.4
59.01381	0.7
65.33932	0.4
70.76145	0.4
70.76493	0.9
71.01389	9.6
78.05770	0.4
78.95934	0.5
93.03461	0.5
94.49911	0.3
96.96976	0.7
115.00383	7.5
119.05032	84.7
120.05331	3.3
163.04015	100.0
164.04346	4.7
179.66272	0.4
325.09302	11.0
326.09747	1.2
392.74240	0.4
441.10175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28668	13.9
66.62804	17.8
84.70363	15.8
84.70885	15.6
119.04982	16.9
142.76793	15.0
159.92276	17.0
328.41235	16.4
338.52921	18.1
395.40344	17.5
441.18805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06882	9.2
58.84281	9.0
59.01370	33.4
59.97471	9.6
67.22469	9.3
71.01377	24.9
77.52621	9.0
84.00706	8.9
84.82921	10.7
89.02457	12.1
93.03393	10.2
115.00347	19.1
119.05022	33.6
142.08125	8.9
157.01401	10.9
163.03992	37.2
171.37282	9.3
177.53387	11.1
192.32811	9.1
204.43489	9.3
210.15141	9.8
237.09198	11.4
242.89032	9.2
247.26279	10.7
290.74100	10.5
292.15814	8.4
441.18765	100.0
442.18741	12.3
455.46494	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85419	1.0
59.01381	100.0
60.01748	0.9
61.98840	1.1
71.50665	0.9
74.65363	0.8
74.88095	0.9
86.62569	0.8
127.07670	2.0
172.78706	0.9
226.66641	0.8
289.18088	3.0
293.20993	1.3
307.19119	2.2
348.56589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.77976	0.4
60.01705	0.6
69.03479	0.5
71.01386	4.5
71.27276	0.9
73.02950	4.5
73.95927	0.4
83.01395	1.1
85.02945	0.8
85.50092	0.5
89.02454	1.6
101.02438	4.6
113.02461	2.2
115.14063	0.4
119.03522	1.0
127.07670	2.2
128.08020	0.5
151.35770	0.6
153.05548	1.2
154.05930	0.6
155.06107	0.5
157.75220	0.4
160.33060	0.5
161.04510	0.6
171.06657	1.2
172.06979	0.6
173.07207	0.9
229.14575	0.5
436.75113	0.5
441.16739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.94121	0.4
57.12455	0.3
59.01378	100.0
60.01705	1.3
61.36270	0.4
70.97077	0.4
71.01379	5.0
71.50482	0.7
73.02953	1.4
85.02941	1.8
88.83801	0.4
89.02464	1.6
95.01447	0.4
98.35560	0.3
99.00858	0.5
101.02437	2.4
113.02439	2.0
119.03464	0.8
123.04562	0.5
123.76075	0.4
161.04581	1.5
179.05833	0.4
190.53578	0.4
218.96571	0.4
270.81506	0.3
351.28519	0.4
399.24243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83957	1.1
52.89188	0.9
56.40551	1.0
57.67275	1.0
59.01377	100.0
60.01705	1.7
61.98823	1.5
71.50520	1.8
127.07607	1.3
171.06558	1.5
193.52452	1.0
195.13861	1.3
201.80257	1.0
245.19029	1.6
289.18039	5.5
290.18237	1.2
293.21152	3.8
304.50140	1.0
307.18979	4.9
335.95703	1.0
461.15451	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00272	0.8
53.60779	0.8
59.01378	100.0
60.01709	1.1
69.28010	6.7
82.09864	0.7
137.89691	1.0
289.18085	2.8
307.19128	2.9
339.77466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67303	0.6
57.03440	0.6
57.13428	0.7
59.01367	1.0
64.13560	0.6
64.33919	0.8
70.84595	2.3
71.01381	14.2
93.03442	6.2
101.02449	1.3
105.15469	0.7
115.00375	14.6
119.05022	41.0
120.05357	1.5
121.02889	1.1
131.04999	1.4
132.05844	1.2
133.01410	8.4
133.02942	0.9
138.01164	0.7
143.05022	4.9
145.06548	2.2
163.04016	15.9
168.01649	0.7
176.04877	0.8
195.04501	1.3
211.07578	0.9
223.07654	1.3
235.07623	0.8
237.09195	6.8
238.09778	1.4
239.10759	3.8
265.08679	3.2
283.09787	12.1
284.10107	1.2
327.08722	100.0
328.09122	9.2
365.79828	0.8
422.59003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48832	0.6
59.01379	4.7
63.14761	0.6
67.67751	0.5
69.50087	3.0
71.01386	13.8
73.06406	0.6
89.02450	1.6
92.29504	0.6
92.99295	0.6
93.03458	12.2
96.99324	1.8
101.02449	0.8
113.02426	1.2
115.00380	12.8
117.03474	1.0
118.04122	0.5
119.05033	27.9
120.05349	0.6
121.02934	0.6
123.04546	1.3
130.04208	0.7
131.05025	2.5
132.05861	1.0
133.01421	5.0
133.02972	1.7
143.05035	9.9
145.02960	1.1
145.06580	1.3
163.04012	12.2
164.04317	0.6
171.04547	0.7
175.02728	1.2
176.03558	2.7
176.04822	0.7
195.04523	0.9
200.53870	0.7
209.06104	1.0
211.07666	2.6
221.09566	0.7
222.06822	0.9
223.07555	1.4
224.08325	0.8
235.07635	2.1
237.09212	12.8
238.09604	1.6
239.10732	3.2
257.64673	0.6
264.06622	0.8
265.08701	10.4
266.09113	0.7
268.12704	0.6
283.09769	14.1
283.12811	1.3
284.10214	1.3
309.07599	3.1
327.08737	100.0
328.09094	9.9
338.08841	1.7
380.61588	0.7
443.11526	0.8
444.12567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68999	0.5
59.01377	13.9
61.98812	1.3
69.59535	2.3
69.59933	0.9
71.01379	12.9
72.99294	0.7
73.02934	1.6
82.80577	0.5
85.02934	1.2
87.00863	1.0
89.02448	1.8
93.03451	14.8
96.99300	2.3
99.08179	0.6
101.02425	2.7
109.02946	0.6
113.02460	1.2
115.00366	10.5
117.03452	1.1
119.03649	0.8
119.05029	21.4
120.05351	0.7
121.02956	0.7
123.04538	1.7
129.05585	1.5
130.04269	1.1
131.05014	3.6
132.05840	0.6
133.01427	6.9
133.02940	2.6
141.88264	0.6
143.05028	12.7
144.05429	0.6
145.02948	1.9
145.06573	1.6
147.04509	0.7
161.04564	1.7
163.03999	9.2
171.04524	1.5
171.06595	0.6
189.07761	0.7
195.04483	0.8
209.06015	0.8
210.06799	0.7
211.07634	3.3
219.07957	0.7
221.09666	1.0
221.11722	0.6
223.07625	1.6
235.07625	2.9
236.07828	0.7
237.09195	8.6
238.09703	0.9
239.10794	2.2
265.05963	1.0
265.08685	12.4
266.08960	1.5
279.07001	0.6
283.09778	8.4
284.10196	0.9
309.07608	4.7
327.08719	100.0
328.09067	11.5
443.23013	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05494	1.4
52.85841	2.0
57.03431	1.6
59.01371	13.8
61.98813	1.6
62.70661	1.5
68.99816	2.0
70.09414	2.9
70.09826	5.5
70.73560	1.5
71.01378	22.4
72.99301	2.7
73.46842	1.6
75.00854	2.1
83.01379	3.1
85.02946	4.6
87.00872	6.1
89.02451	6.2
93.03456	6.9
95.01376	2.3
96.99326	1.7
97.02944	1.8
99.00888	7.2
101.02451	4.9
111.00874	5.4
113.02473	3.5
113.99603	6.6
115.00372	14.4
119.05017	92.5
120.05318	3.0
120.76191	1.5
123.04499	1.7
125.99630	1.7
127.00336	3.5
130.04237	1.6
131.05026	3.1
133.01421	7.2
135.04524	2.6
143.04984	3.3
145.02901	2.2
145.06551	1.9
147.04501	3.5
156.00586	3.8
163.03998	100.0
164.04329	5.7
181.05057	18.4
189.05450	3.1
203.03458	22.4
204.03806	2.0
205.05013	10.8
215.03432	5.5
217.05061	4.2
219.06635	2.8
233.04555	5.8
235.06075	2.9
237.03450	2.2
237.09134	6.8
239.10823	3.3
242.18600	2.0
245.04539	7.1
256.45465	1.6
263.05661	2.7
277.05603	32.7
283.09888	11.5
301.05682	7.9
319.06732	8.1
325.09259	5.1
327.08725	68.8
328.08896	7.8
395.09720	5.6
443.12009	3.9
443.19116	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	443.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55848	2.8
59.01379	24.0
61.98799	3.8
63.38266	3.0
70.84574	6.5
71.01376	34.8
72.99294	4.0
73.02934	4.1
83.01374	4.0
85.02941	7.1
87.00862	10.0
89.02434	10.8
89.44912	2.7
93.03442	18.4
99.00852	8.4
101.02443	7.4
101.11820	2.6
111.00868	8.8
113.02426	9.1
113.99588	10.4
115.00346	18.2
119.03550	4.8
119.05025	63.2
120.05363	5.6
127.00359	7.7
131.05022	4.8
133.01416	5.5
134.03706	3.5
135.04535	3.0
143.05025	4.9
145.02974	2.9
147.04518	3.8
151.54958	2.5
156.00673	4.8
157.01483	3.1
163.04019	49.3
164.04370	4.0
181.05000	22.2
182.05453	3.2
193.05017	5.5
203.03508	33.8
205.05034	16.4
215.03458	8.8
217.05037	3.8
237.09215	7.7
239.10718	4.3
245.04507	3.7
265.08832	4.2
277.05600	48.3
283.09808	14.8
289.58481	2.9
301.05518	9.4
319.06638	11.6
325.09482	3.6
327.08688	100.0
328.09079	8.7
395.09586	6.1
425.10455	3.6
443.19357	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04378	2.1
50.11528	1.9
50.55521	1.9
53.31786	1.9
58.00577	3.4
59.01383	42.3
61.98815	6.7
69.27399	14.9
71.01024	2.8
71.01380	42.4
71.05028	5.1
72.99313	3.0
73.02930	7.1
73.04091	2.1
83.01369	4.3
85.02964	12.3
87.00877	11.4
89.02438	25.4
93.03376	5.2
95.01348	2.7
96.96017	2.5
99.00861	4.7
99.04517	15.3
101.02441	18.6
104.18008	2.4
111.00899	3.2
113.02488	12.7
113.99556	4.5
114.01933	4.7
115.00323	8.6
115.04015	12.2
115.08804	2.5
117.01940	5.1
117.05524	7.4
119.03454	5.9
119.05035	42.3
120.05363	3.1
127.00385	2.4
133.01367	4.1
137.07156	3.9
143.36795	2.3
145.02917	3.9
146.08231	3.1
154.09827	3.5
161.04460	2.4
161.08195	100.0
162.08493	3.7
162.83817	7.4
163.04015	43.1
172.10811	4.3
181.05095	10.1
203.03377	8.4
205.04973	6.4
215.03319	3.5
217.04857	2.1
237.03366	2.7
237.09267	2.2
245.04555	3.7
277.05496	12.5
283.09592	3.7
301.05441	2.3
310.18524	3.1
319.06549	4.0
325.08963	4.3
327.08652	16.4
328.19977	3.9
373.78149	2.4
380.15509	7.8
394.48364	2.2
395.09836	2.9
443.12506	5.9
443.18933	87.3
444.19470	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	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65521	0.9
55.92721	0.9
57.03443	2.8
59.01376	100.0
60.01717	1.9
62.60714	1.2
69.17318	10.0
69.17644	2.1
69.97174	0.8
71.01012	1.3
71.01377	12.8
72.99283	1.1
73.02947	3.9
73.53491	1.0
83.01386	1.0
85.02948	5.7
87.05647	2.9
89.02422	1.6
93.03443	4.4
99.00867	1.3
99.37101	0.9
101.02459	6.2
106.06648	0.9
109.02943	5.4
110.63318	1.4
113.02444	5.0
114.84926	1.0
115.00390	6.6
118.96828	1.0
119.05012	3.8
121.06539	1.2
123.04512	2.9
125.00679	1.0
127.62157	1.0
129.06679	2.6
129.37036	1.1
130.08733	6.3
133.01433	13.6
147.04514	10.5
160.14458	0.9
161.04544	4.4
161.09703	3.6
163.04042	1.6
163.07715	1.4
168.09076	1.2
170.24585	0.9
177.12880	1.3
178.06316	1.1
178.99350	0.9
179.10756	10.2
181.05035	1.9
185.16492	1.8
186.83086	1.0
191.07124	1.8
193.12299	2.7
195.08170	3.9
197.09569	1.3
203.10764	18.3
204.11157	1.0
206.09451	4.8
221.11809	80.9
222.12155	6.2
224.03925	1.0
239.10730	3.2
258.07040	1.0
261.84247	0.9
265.39761	1.2
271.08206	1.7
283.09732	3.3
295.10141	1.6
296.07712	1.2
327.08658	4.0
341.70633	0.9
383.51364	1.0
399.22354	10.7
443.24634	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01862	1.7
57.03435	2.4
58.00597	1.4
59.01384	36.2
60.01711	0.7
61.27180	0.6
61.98817	1.4
62.54881	0.8
68.99831	0.7
69.03459	0.7
70.76228	0.6
71.01387	31.8
72.99300	2.5
73.02956	4.0
75.00856	0.8
83.01385	4.1
85.02954	10.2
87.00871	3.9
89.02454	18.3
89.31999	0.6
93.03442	0.7
95.01403	3.5
95.80682	0.7
96.95995	0.7
99.00871	2.7
99.40485	0.8
101.02451	20.4
111.00854	0.8
111.04532	1.0
113.02456	11.0
113.99561	1.1
115.00356	1.9
119.03538	7.3
119.05021	13.9
120.05352	1.1
121.06559	0.8
127.00451	0.7
129.01958	0.7
133.01431	1.1
135.04492	0.8
137.64856	0.6
147.04527	1.0
157.74400	0.7
161.04549	1.8
161.08179	1.9
163.04044	12.3
164.04341	2.1
168.03027	0.9
181.05005	2.4
189.12814	1.7
203.03488	3.9
205.05025	2.2
229.01402	0.8
233.04509	0.9
237.03513	1.0
237.14819	1.1
239.10796	0.9
257.16040	1.2
277.05682	4.9
283.09741	1.5
319.06735	0.9
325.09229	1.2
327.08755	5.2
334.28226	0.6
443.19174	100.0
444.19577	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	443.2284
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
52.92797	1.1
55.01874	2.1
57.03436	3.1
59.01376	53.9
60.52130	1.4
61.30762	1.9
61.98821	5.8
67.97371	1.2
68.44098	1.2
69.03438	2.3
71.01382	50.9
72.99311	11.1
73.02948	18.6
75.00854	1.8
83.01372	7.4
83.05001	2.1
85.02948	16.2
87.00867	2.6
89.02452	6.9
97.06536	2.2
99.00850	1.6
101.02436	18.6
113.02462	5.2
115.00370	12.0
115.11501	1.2
119.03489	2.7
119.04993	1.4
125.02447	1.3
125.09685	1.7
133.01393	3.9
137.09666	3.2
153.09256	1.5
161.04543	2.7
163.11285	1.9
171.10269	26.0
172.10574	1.9
174.43002	1.3
177.16551	2.2
183.13895	1.8
197.11644	1.6
209.11806	9.0
211.13335	9.6
212.71774	1.3
221.11852	1.8
221.15402	9.9
229.14406	6.8
239.16505	4.5
288.80719	1.4
291.19571	2.5
295.05710	1.6
307.19122	9.5
308.19452	1.7
325.20242	8.5
327.21738	100.0
328.21985	12.5
338.07721	2.3
383.20700	9.3
401.21677	19.1
402.22217	2.2
425.21783	4.0
443.13211	3.1
443.22784	71.5
444.13358	2.1
444.23068	7.3
457.90857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98811	5.6
66.06988	2.3
69.93677	2.1
71.50643	2.4
75.00870	2.4
76.56073	2.1
96.15393	2.3
99.60576	2.2
100.88905	2.6
101.26704	2.3
115.91994	2.4
123.04431	4.1
211.13478	2.3
262.11783	3.0
309.20395	3.2
341.10471	3.0
393.20728	2.8
406.38098	2.1
411.21259	4.1
419.40540	2.4
443.32794	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82618	1.0
59.01379	100.0
69.50498	1.9
69.50902	5.4
71.01379	3.6
73.02935	3.4
85.02960	1.6
91.03997	1.9
101.02448	3.1
122.68230	1.0
136.12906	1.0
207.10228	1.1
211.13290	1.8
221.15414	2.3
247.20598	1.6
291.19666	18.9
292.19980	1.8
309.20728	27.4
310.20895	2.4
401.21616	3.0
443.22623	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	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01704	1.1
61.98823	1.5
71.39759	1.2
77.17902	0.7
83.14329	0.7
89.02448	1.3
96.95998	0.8
99.00826	1.0
125.09694	1.2
193.78899	0.9
209.11642	0.9
226.00061	0.9
254.59151	0.8
269.28296	0.8
285.05792	1.0
291.19604	3.0
309.20795	4.5
352.02258	0.8
380.23587	0.8
382.60107	0.8
385.10101	0.8
393.20801	1.8
411.21786	3.4
443.28931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61153	0.5
52.72913	0.5
59.01381	100.0
60.01724	1.1
61.98841	1.1
70.85886	1.5
77.45695	0.5
82.21532	0.5
101.72223	0.6
130.22600	0.6
209.11925	0.8
218.30347	0.5
265.66867	0.5
291.19733	2.5
309.20709	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86731	0.9
56.90029	0.8
59.01379	100.0
59.30156	0.9
60.01724	1.0
61.98825	1.8
65.29208	1.0
69.17749	9.5
71.01389	0.8
84.85442	0.9
89.02449	3.1
91.04001	7.8
98.19881	2.1
101.02477	1.1
103.69163	0.9
110.47353	0.8
171.49776	0.8
195.13927	1.6
221.15416	1.7
223.13412	1.3
240.37056	0.9
253.98131	0.8
255.80267	1.0
291.19650	6.0
309.20691	20.4
310.21066	3.3
314.16452	1.0
394.23270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09049	0.8
59.01376	100.0
60.01696	0.9
63.68888	0.7
69.35252	1.4
69.35647	5.4
71.01385	0.9
91.03970	1.6
111.08128	1.2
122.25050	0.8
123.86842	0.8
123.87720	0.8
197.11772	5.1
207.09953	0.8
288.90723	0.8
291.19577	3.6
309.20746	7.2
310.20840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59008	0.7
58.66446	0.8
59.01377	100.0
60.01702	1.0
70.70135	2.3
79.50041	0.8
91.03999	4.2
96.95988	1.2
111.08143	2.9
121.02967	1.4
197.11807	8.3
240.70045	0.8
277.55200	0.8
291.19650	4.3
309.20663	12.1
310.21033	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98804	1.5
68.30550	1.5
71.50546	2.8
164.64505	2.1
209.11856	1.6
242.18796	2.0
247.19888	1.5
264.56076	1.6
443.28357	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	443.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01363	2.3
61.98821	3.3
69.15350	1.0
71.01364	1.4
71.50314	1.5
80.29424	1.0
84.48859	1.0
94.84333	1.0
101.02438	1.1
101.13175	1.1
139.63071	0.9
142.65750	1.1
165.27116	1.0
169.93526	1.2
178.73953	1.2
252.55864	1.1
307.30029	100.0
308.30380	12.5
325.30829	1.7
351.28989	47.7
352.29489	5.2
366.72839	1.0
369.30051	99.6
369.76578	1.1
370.30405	9.0
395.10770	1.1
443.33746	53.4
444.34128	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	443.3532
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
61.98822	0.2
70.36531	0.5
70.36890	0.3
77.58963	0.2
78.05455	0.2
97.59591	0.2
107.25080	0.2
121.06596	0.4
126.45788	0.2
157.28734	0.2
247.14719	0.2
427.07227	0.4
430.17236	0.2
443.35303	100.0
444.35651	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	445.1349
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
51.68156	0.6
58.00580	1.9
59.01379	12.2
70.97327	1.6
71.01385	5.7
72.99298	1.2
84.12543	0.7
85.02948	1.3
87.00869	1.0
89.02452	1.3
89.18286	0.8
93.02868	1.5
93.03456	29.4
94.03817	1.1
99.00887	2.5
101.02426	1.4
107.05038	7.2
119.05038	2.4
129.01941	1.8
133.02933	1.1
134.03775	1.2
135.04521	30.2
136.04935	1.3
147.04527	3.2
149.06105	1.1
159.02992	0.7
163.04019	9.2
165.05566	100.0
166.05957	4.7
177.05518	4.5
179.03577	1.4
181.05078	8.6
187.04018	1.5
191.07144	1.6
193.05028	6.3
195.06674	2.2
205.05032	1.6
219.06638	0.8
223.06041	7.1
245.11900	0.7
255.08786	1.1
265.07059	1.5
283.08218	77.7
284.08517	5.5
327.11081	1.3
343.10120	0.8
346.41565	0.9
445.13724	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	445.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
67.59788	0.4
69.35999	3.0
71.01386	0.7
71.73216	0.4
82.77206	0.4
89.02468	0.6
91.87300	0.3
94.49123	0.3
101.02435	0.7
102.18320	0.3
110.60691	0.5
143.56418	0.3
161.04443	0.4
169.06561	2.3
181.06461	0.5
182.07353	2.2
183.04459	0.5
197.05969	2.5
198.06850	12.7
198.08673	0.7
199.07236	0.5
209.06071	1.5
223.13405	0.5
225.05524	4.1
226.06331	85.3
227.06682	6.3
241.08678	100.0
242.08998	8.3
314.60898	0.4
404.11591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03442	0.5
59.01375	6.1
59.81901	0.6
61.98828	1.2
70.80555	1.2
71.01376	1.6
71.85966	0.5
89.02435	1.0
101.02432	0.8
115.00387	0.8
117.26176	0.6
121.03010	0.6
153.09207	0.9
157.57512	0.6
169.06557	0.9
175.02412	0.7
182.07295	0.8
197.06084	1.0
198.06857	6.9
205.12186	0.6
209.11880	0.7
225.05585	3.1
226.06340	67.2
227.06721	5.4
241.08691	100.0
242.09010	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	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59811	0.6
59.01380	100.0
60.01737	1.1
61.98837	2.3
63.67149	0.5
69.20241	1.8
69.20657	3.2
71.01382	2.9
85.02956	0.8
89.02450	1.5
101.02460	1.4
113.02451	0.6
115.00384	0.6
117.05582	97.5
118.05907	2.4
118.79169	0.5
127.83482	0.6
133.01466	0.5
151.90599	0.6
161.04550	1.2
177.12769	0.6
204.40472	0.5
205.12288	2.4
209.11880	0.9
223.13393	1.7
230.10849	0.6
265.10919	0.7
279.10895	2.9
327.08743	0.7
329.09335	1.9
385.18671	1.5
389.10321	0.8
445.22638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
57.30993	0.7
59.01381	100.0
60.01724	1.2
61.98843	1.2
69.43501	4.2
71.01381	23.2
71.43407	0.6
72.99316	0.8
73.02947	11.5
83.01403	1.7
83.05005	0.9
85.02944	7.4
85.03406	0.7
87.00873	1.7
89.02444	11.4
95.01421	1.7
98.20699	1.3
99.00907	2.9
101.02437	11.7
113.02460	9.9
113.06113	1.2
117.05582	20.8
119.03483	3.5
137.09772	1.6
143.03563	2.1
153.09270	2.6
159.03023	2.2
160.34814	0.7
161.04541	15.6
162.04846	0.7
165.09239	2.3
168.00587	0.8
175.02808	1.6
176.03513	2.2
177.03972	2.1
179.05608	4.0
205.12383	2.7
209.11897	1.4
223.13412	12.0
224.67699	0.7
255.03180	0.7
283.12134	0.8
315.20135	0.8
329.09631	0.8
338.09119	1.3
339.09283	2.2
377.65613	0.7
431.19656	0.8
445.13382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12895	0.5
59.01371	5.4
61.98801	0.8
65.84444	0.4
69.28584	3.2
71.01379	1.2
78.95894	6.4
82.90154	0.4
87.04492	0.5
89.02426	0.7
101.02407	0.5
110.98517	5.0
113.02426	0.6
120.48947	0.5
124.74538	0.4
130.06187	0.5
147.03004	0.4
152.99565	1.2
158.91006	0.5
167.01172	2.3
185.02156	5.1
209.11835	0.6
233.22795	0.6
237.13876	0.5
259.20508	0.5
277.21686	100.0
278.22055	9.7
329.24951	0.5
385.18903	0.6
385.27493	1.0
445.23578	5.6
445.29355	1.0
446.23792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28355	0.8
59.01381	100.0
61.98836	2.6
67.15337	0.8
70.99284	2.1
71.01377	1.4
71.36653	0.9
78.95908	1.6
91.04017	2.4
96.87922	1.0
152.99588	3.7
162.06842	1.4
211.13423	4.0
234.08972	1.9
270.54498	0.9
293.21344	1.1
311.22314	11.3
312.22644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01378	100.0
61.98839	4.8
67.19854	0.8
69.97895	0.8
71.01392	4.6
71.50513	0.9
73.02966	1.1
78.95890	9.5
85.02952	1.2
88.09540	0.8
89.02464	2.4
91.04001	3.1
96.96983	1.1
101.02452	1.1
113.02452	1.8
121.02956	2.1
149.06097	1.0
152.99580	18.9
153.09248	2.0
161.04546	1.2
162.06805	1.6
175.03998	1.0
189.05685	1.4
191.06995	1.2
205.12279	1.3
211.13374	5.9
234.08910	3.1
238.06322	0.9
239.82396	0.8
241.18253	1.2
253.08896	1.3
270.08951	0.8
293.21259	1.1
311.22250	15.3
312.22540	1.3
326.32455	1.0
327.19547	1.4
345.20612	0.9
385.18436	1.9
403.23199	2.1
427.21063	1.3
445.21371	3.6
446.23080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97935	0.8
59.01376	100.0
61.98844	1.7
62.28015	0.7
68.27117	0.7
71.01375	1.4
71.21556	0.9
78.83553	0.8
86.03571	0.8
89.02435	1.1
89.43823	0.8
91.04011	5.7
110.06167	0.8
129.09109	0.8
153.09183	1.0
162.06833	1.3
165.01939	0.8
181.12334	1.1
211.13377	4.2
234.08913	2.8
251.62631	0.8
293.21219	1.5
311.22247	19.3
312.22644	1.7
445.22183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83133	0.6
53.54050	0.5
59.01377	13.4
61.98829	27.3
62.96393	1.1
70.99323	1.6
71.01372	0.8
78.21555	0.6
78.95902	43.5
81.66730	0.5
96.96974	2.8
101.02464	0.7
149.00079	19.6
152.99596	5.0
158.92506	1.8
161.04622	0.6
162.92578	0.7
165.12758	0.5
179.01170	2.4
205.15968	2.3
211.13315	0.8
227.03514	2.5
255.02925	3.7
284.03146	3.1
285.04126	0.9
371.86038	0.7
417.12180	1.1
431.10449	2.5
435.16553	0.7
447.13458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98827	34.0
62.38444	1.9
69.90253	4.7
69.90648	3.1
71.01381	10.0
71.78282	2.0
73.02961	3.1
73.33189	2.4
78.95908	6.7
85.02982	3.2
89.02435	5.9
98.20568	2.4
100.74623	3.0
101.02446	2.5
113.02426	4.1
119.03467	2.3
151.00317	3.2
152.99553	10.7
161.02408	3.0
161.04532	3.1
163.61110	1.8
189.12793	2.2
211.13388	6.4
212.13583	2.4
217.89041	1.9
227.03519	18.2
234.09016	3.3
235.09250	4.1
255.02994	27.2
257.04465	3.7
273.41946	2.0
283.02606	2.1
284.03293	22.4
285.04034	6.8
387.20224	6.5
447.09238	34.4
447.31357	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24456	0.5
59.01376	1.4
63.02362	0.5
82.76362	0.5
83.01362	0.9
92.05718	0.5
98.20766	0.7
107.01400	0.8
117.03453	0.4
118.48914	0.4
125.02505	0.5
125.29649	0.4
135.00858	0.8
151.00375	2.4
153.01921	0.6
163.00323	0.8
178.99852	0.7
183.04517	2.0
185.06111	1.0
187.03897	1.2
202.13049	0.5
211.04005	2.6
227.03468	87.0
228.03842	7.7
229.04991	2.2
255.02954	100.0
256.03433	13.7
257.04440	1.1
284.03229	51.1
285.03925	23.2
286.04321	1.9
327.04910	0.9
447.09259	81.1
448.09613	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	75.3
61.98811	2.3
63.02395	2.0
63.55659	0.8
65.00330	1.2
68.44193	0.8
69.18983	2.6
69.19397	5.2
69.83611	0.7
71.01382	8.2
72.99295	0.9
73.02946	1.7
75.00867	2.7
75.61079	0.8
83.01362	2.4
85.02932	3.2
87.00872	1.0
89.02422	4.3
93.03439	0.9
94.27207	0.9
99.00846	0.9
101.02424	5.9
107.01379	4.6
107.04980	1.1
108.02177	0.9
113.02427	3.8
115.00356	3.6
119.03486	3.5
123.04530	1.5
125.02417	0.8
132.02173	1.2
133.01411	5.2
133.02890	2.7
134.03752	4.2
135.04526	31.9
136.04820	1.0
151.00375	10.8
153.01927	1.0
161.02434	1.1
161.04544	5.7
163.00310	1.6
164.01199	1.6
165.09183	0.8
178.99940	1.5
179.03497	51.3
180.03783	1.7
183.04472	1.2
183.13933	1.2
211.03905	3.0
211.13313	3.8
218.07690	0.8
225.14990	2.1
227.03491	49.0
228.03851	3.2
229.04988	2.1
240.04094	1.0
240.07896	1.3
241.08565	2.5
243.03044	3.9
243.10236	6.7
254.02242	1.1
255.02974	62.7
256.03549	8.3
257.04495	3.8
270.05139	1.1
271.02490	13.7
272.02728	1.0
284.03253	66.3
285.04001	32.1
285.07565	3.7
286.04398	2.9
300.02750	15.7
301.03482	6.9
314.04108	3.2
333.09750	1.3
387.20178	4.6
427.42709	0.9
447.09164	100.0
448.09457	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52634	0.5
57.03447	0.9
59.01381	100.0
60.01708	1.0
61.98830	3.1
69.03456	2.6
69.14597	5.1
71.01379	16.0
72.99322	1.1
73.02962	3.3
74.02472	2.0
74.03303	0.4
79.01910	1.0
81.03458	1.3
83.01379	2.9
85.02956	4.0
87.00883	4.5
87.04498	0.6
89.02448	14.1
93.03500	0.5
95.01392	2.5
97.02966	1.8
99.00900	0.7
101.02448	6.7
101.19876	0.6
107.01418	1.7
107.05025	0.5
107.87704	0.5
108.02193	1.2
109.02982	1.9
113.02454	6.3
119.03510	3.7
121.02967	1.2
123.00883	7.9
123.04524	14.2
124.01666	17.5
125.02454	49.8
126.02807	1.6
133.05063	14.2
136.01663	1.6
137.02464	6.5
143.03506	1.2
145.02859	0.4
147.04561	0.7
147.05986	0.9
149.02502	0.9
149.99586	28.0
151.00378	4.6
151.04036	1.7
161.04514	3.3
163.03969	0.6
167.03508	1.1
168.00644	53.5
169.01378	7.2
175.02544	1.0
179.05641	2.0
189.12845	0.6
191.31819	0.6
207.14034	0.7
213.09254	0.5
225.01976	0.7
225.14911	0.8
226.02620	0.6
227.03525	5.6
228.03734	0.6
228.17247	0.5
241.05089	0.8
255.02962	6.0
256.03461	0.8
269.06754	1.0
284.03189	6.2
285.04050	4.1
285.09872	1.9
313.05640	11.3
314.06070	1.0
331.06833	1.7
387.20456	3.5
388.20169	0.6
403.09399	0.6
403.20117	3.1
405.21375	0.8
447.11444	93.4
448.11749	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46394	0.2
59.01305	5.0
59.01624	0.5
61.98781	0.2
69.55147	0.7
69.55560	0.6
71.01316	0.5
79.30393	0.2
79.49970	0.2
89.02390	0.3
93.03444	0.4
98.19872	0.3
101.02406	0.4
106.04175	0.2
107.05030	1.2
111.00855	0.3
113.02438	0.3
115.00381	0.3
117.03406	0.7
119.03532	0.3
121.02895	0.6
133.02950	4.8
134.03735	8.7
135.04520	62.3
136.04845	3.0
137.02422	2.7
139.03993	0.9
149.02487	0.3
151.00383	0.5
161.02434	2.1
161.04552	0.4
178.02768	0.6
179.03487	100.0
180.03819	5.0
197.43863	0.2
211.13388	0.2
227.03468	3.0
227.07159	0.5
228.03947	0.3
241.08859	0.6
243.10249	1.6
255.02951	4.3
256.03519	0.5
271.02716	0.7
284.03271	3.4
285.04349	2.3
285.08014	6.6
286.08255	0.7
300.03134	0.9
301.03775	0.5
341.09256	0.7
361.91904	0.2
387.20413	0.4
447.13965	9.4
448.14200	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	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
61.98811	1.0
62.96399	1.3
71.27168	0.6
71.54068	0.2
78.95901	42.4
96.96974	2.7
149.00085	19.9
150.00443	0.5
151.01654	0.3
152.99609	2.4
158.92546	1.4
179.01091	2.6
184.83456	0.3
205.15953	1.8
227.03511	1.3
234.90244	0.4
240.96753	0.4
255.03009	1.8
256.03723	0.4
284.03156	1.0
285.04099	0.8
347.08160	0.5
417.12048	1.1
431.10233	2.5
447.13437	100.0
448.13800	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	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
60.66523	0.4
69.35200	3.1
69.35594	1.0
71.01385	1.2
72.99310	5.8
75.00890	2.9
89.02450	1.4
105.01940	100.0
106.02255	2.2
133.05099	1.5
149.04556	5.9
150.03860	0.7
179.05589	0.6
227.03593	0.4
255.03096	1.2
284.03049	0.9
285.00739	0.6
285.03979	0.9
354.83997	0.5
447.09555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62727	0.3
52.41478	0.4
53.15547	0.4
59.01370	1.3
64.36716	0.4
69.06660	0.4
69.34898	1.8
69.35314	1.3
71.01411	0.5
72.99308	4.9
75.00877	2.6
76.76659	0.4
76.77490	0.3
82.86382	0.3
104.03518	0.4
105.01938	100.0
106.02249	2.4
125.51885	0.3
130.54172	0.4
131.40300	0.4
170.27562	0.4
220.31578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03436	1.2
58.00589	2.9
59.01379	100.0
59.18893	0.7
60.01697	0.9
61.65806	0.8
61.98822	1.6
69.44577	0.7
70.89642	1.8
71.01382	53.8
72.01739	1.0
72.99316	4.9
73.02951	2.8
75.00852	1.1
83.01377	2.3
85.02953	11.6
87.00894	3.8
89.02447	84.4
89.32258	0.8
90.02789	1.3
93.03479	1.0
95.01369	4.2
97.02956	1.3
99.00908	1.3
101.01802	1.5
101.02444	29.9
102.02758	0.8
105.01936	32.1
109.02940	1.0
113.02454	24.7
119.03508	35.2
123.04520	10.0
125.02464	4.0
131.03508	4.1
137.02519	0.8
143.03496	9.8
149.04549	4.8
161.04565	13.0
165.05574	1.0
179.05617	78.8
180.05920	2.5
192.03250	0.8
195.03032	1.0
221.06570	1.6
227.03535	3.8
255.03008	4.2
256.03519	1.4
284.03149	3.6
285.03964	2.1
323.09589	1.8
348.96225	0.9
371.04791	0.9
387.20258	1.5
447.09171	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	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
57.03439	5.0
58.00579	1.5
59.01379	100.0
61.98810	1.8
62.40570	1.4
68.45932	1.3
69.03441	1.7
70.78073	3.6
71.01381	76.6
72.99306	3.6
73.02950	14.1
74.00701	3.2
75.00904	1.5
77.03963	2.0
81.03439	2.2
83.01388	12.1
85.02949	43.3
86.03274	1.6
87.00881	8.2
89.02449	48.1
93.03493	2.1
95.01403	8.4
95.05022	5.5
97.02929	2.4
99.00884	25.2
99.05658	1.8
101.02444	51.9
101.64410	1.7
105.03440	3.9
111.62832	1.4
113.02451	53.9
114.02779	2.2
119.03489	21.9
123.04526	85.8
124.04845	2.3
125.02402	6.9
128.03513	2.4
130.08757	3.3
131.03470	2.3
137.02397	4.0
143.03494	19.7
149.02487	1.9
159.02972	3.0
161.04565	49.1
162.04939	2.8
179.05606	12.7
191.69055	1.7
221.06668	5.6
227.03522	10.6
245.06763	1.8
255.03021	11.6
284.03189	8.8
285.04083	10.1
323.09851	72.4
324.10104	5.1
387.20105	2.4
447.09183	15.3
447.14822	3.5
447.20676	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	447.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91066	1.1
57.03445	11.3
59.01378	100.0
61.98829	15.7
64.25374	1.1
71.01375	9.0
73.02937	1.9
83.05012	1.3
85.02943	2.3
89.02459	6.2
95.01353	1.1
96.84164	1.2
98.20663	3.4
99.08156	74.7
101.02436	4.9
113.02415	5.1
119.03516	1.2
123.00871	1.9
123.04517	1.1
127.07646	76.1
128.07948	2.1
129.05577	40.3
133.02924	4.4
134.03401	1.3
138.03192	1.4
143.03575	1.2
151.00375	2.1
153.05557	10.0
160.84271	1.5
161.04570	5.8
163.04033	1.5
171.06628	29.0
172.06952	1.7
179.03499	3.3
179.05536	1.8
189.07614	2.3
189.12851	2.3
193.01491	1.7
207.13867	1.4
208.03731	3.4
211.13371	21.1
215.07121	7.4
223.06046	5.7
225.14984	1.9
227.03470	16.1
228.03822	2.1
243.06607	22.7
243.19638	2.5
244.06970	1.9
253.09106	3.0
255.02986	20.4
256.03430	2.7
275.09229	3.7
284.03229	16.6
285.03909	8.0
285.07010	2.2
327.04874	1.4
343.14911	1.3
387.20206	7.4
396.04120	1.4
405.24670	4.1
415.14017	1.8
447.09082	23.4
447.14468	2.4
447.26266	5.8
448.09598	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.6
61.98848	0.2
66.33554	0.2
69.72572	1.3
71.01380	1.1
73.02941	0.4
79.89571	0.2
81.03479	0.3
81.44714	0.2
83.01321	0.3
85.02949	0.4
89.02445	0.7
93.03419	1.2
95.01360	0.5
101.02440	0.6
106.04223	0.3
107.42055	0.2
108.02177	1.1
109.02953	1.3
112.77662	0.2
113.02427	0.5
121.02957	2.1
122.03747	2.5
122.19007	0.2
122.36742	0.2
125.02490	0.4
135.04579	0.4
136.05255	0.5
137.02403	0.5
145.92744	0.2
149.02455	0.4
151.03998	2.1
153.01945	0.6
158.07343	0.4
161.04494	0.4
168.11758	0.2
173.71603	0.3
182.79836	0.2
183.08067	1.2
183.13908	0.4
184.08823	0.3
185.06096	0.6
187.40385	0.2
201.09247	1.3
211.07646	0.3
211.13354	6.6
212.13562	0.3
213.05353	0.3
227.03476	1.5
227.07112	27.7
228.07689	3.4
243.10231	100.0
244.10561	7.4
253.09312	0.9
255.02933	1.2
256.03531	0.3
284.03387	1.1
285.03992	0.3
285.11298	0.4
387.14490	1.1
387.20090	0.4
402.52502	0.3
405.15573	0.6
447.09238	1.6
447.16531	0.6
448.09424	0.4
448.16510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98821	2.3
69.20245	1.8
69.20673	1.0
71.01374	2.0
73.02946	0.4
81.03477	0.3
85.02956	0.4
89.02414	0.7
93.03451	1.7
101.02444	1.0
101.38465	0.3
106.04224	0.5
108.02175	0.8
109.02936	1.0
113.02402	0.9
119.94937	0.3
121.02951	2.3
122.03745	2.2
125.02438	0.5
133.01424	1.1
136.05325	0.7
149.02496	0.4
151.04002	1.8
155.29108	0.3
158.07387	0.8
161.04510	0.7
182.07352	0.3
183.08090	0.8
183.13887	0.9
184.08807	0.4
185.06102	0.5
186.06865	0.5
193.12299	0.5
197.06056	1.2
198.06654	0.5
201.09198	1.6
211.13377	21.5
212.13751	1.2
225.05563	1.6
226.06335	12.1
227.03455	1.1
227.07109	28.9
228.07626	3.6
240.08022	0.4
241.08675	3.2
243.10229	100.0
244.08182	0.6
244.10559	7.8
253.09225	2.4
255.02902	1.0
270.05276	0.9
271.05676	0.4
284.03217	1.5
284.06836	1.3
285.04468	0.4
285.07605	6.1
285.10864	0.6
286.07983	0.6
349.18530	0.4
374.02814	0.3
387.14523	1.1
387.19928	0.5
405.15604	0.6
447.13266	9.4
447.22119	0.5
448.13242	1.1
455.80942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.7
61.98829	5.5
62.96403	0.3
64.00564	0.3
64.53477	0.3
70.91426	0.9
71.01376	1.3
78.95898	52.2
85.02920	0.6
89.02428	0.8
96.96954	6.7
101.02427	0.6
119.03519	0.6
143.42410	0.3
150.97990	1.2
152.99573	100.0
153.99905	1.7
161.04552	0.6
171.00638	4.3
176.04666	0.3
177.75961	0.3
179.05609	0.4
191.07150	0.5
211.13356	0.5
225.14905	0.4
227.03479	4.1
228.03764	0.4
253.09306	0.4
255.02972	4.3
256.03552	0.5
258.00870	0.3
284.03250	3.7
285.03900	2.3
300.66284	0.3
304.84509	0.3
387.20160	0.9
447.09177	5.9
447.21448	7.8
448.09406	0.6
448.21954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03740	0.2
59.01378	16.3
61.98842	0.5
62.96405	0.4
63.44653	0.2
63.51955	0.2
71.01381	1.6
71.50919	0.5
73.02920	0.3
78.95901	57.4
85.02975	0.3
89.02444	1.1
90.23032	0.2
96.96957	6.0
101.02444	1.0
107.01360	0.2
113.02464	0.6
119.03487	0.4
125.02468	0.3
128.96210	0.3
146.15320	0.2
149.00075	0.8
150.98027	1.9
152.99579	100.0
153.99922	1.6
161.04552	0.8
171.00638	4.4
211.13393	1.1
227.03477	3.4
255.02980	4.8
256.03629	0.5
257.04462	0.2
283.39978	0.2
284.00259	0.4
284.03265	3.6
285.04034	1.8
293.21164	0.6
387.20230	1.2
432.09943	0.8
447.09216	3.6
447.13751	3.1
447.21603	10.4
448.14032	0.3
448.21915	1.3
466.45419	0.2
468.54089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51124	0.6
59.01381	100.0
60.01698	1.0
69.22977	5.5
71.01382	9.6
73.02979	0.9
73.44629	0.6
82.34200	0.6
83.01422	0.8
85.02981	1.2
89.02456	15.0
89.25227	0.5
101.02452	5.2
107.41453	0.6
113.02451	4.1
119.03497	5.9
131.03474	0.8
136.41983	0.6
141.14854	0.7
143.03470	1.4
161.04611	2.4
176.26758	0.6
179.05606	8.0
179.29793	0.6
207.79448	0.6
227.03580	1.4
255.03107	2.2
271.88287	0.7
284.03305	1.8
285.04034	1.3
291.74405	0.7
314.14923	0.6
447.09485	2.1
447.22595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98996	0.4
57.03444	0.5
59.01376	100.0
60.01725	1.5
61.98827	1.2
70.67235	0.9
70.67570	0.6
71.01376	3.8
73.02956	1.6
73.13813	0.4
73.37841	0.4
85.02962	1.6
89.02451	2.2
89.86486	0.4
99.23839	0.5
101.02428	2.5
113.02461	1.9
119.03516	0.9
123.08189	0.7
127.94720	0.5
143.03558	0.5
159.02975	0.7
161.04517	3.0
163.11292	1.1
179.05664	1.4
189.12941	2.1
207.13899	2.5
225.15038	0.9
347.29776	0.5
387.20367	1.7
420.68356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36195	0.4
59.01376	100.0
60.01716	1.3
61.98820	3.4
68.23479	0.4
69.42747	2.8
71.01384	4.6
73.02962	1.0
83.01402	0.7
85.02966	1.1
89.02447	4.2
89.04957	0.4
91.61195	0.5
96.54224	0.5
101.02437	3.3
113.02413	2.6
119.03520	1.4
129.60112	0.5
130.30171	0.4
135.57062	0.4
139.30910	0.4
140.01480	0.4
143.03664	0.6
161.04503	3.1
179.03456	0.4
179.05661	0.9
227.03506	0.5
242.04677	0.5
255.03052	1.3
269.64737	0.5
276.19189	0.5
284.03290	2.1
285.03842	2.5
286.07251	0.6
325.49374	0.4
387.20200	7.3
388.21075	1.0
427.93735	0.5
447.09464	1.1
447.22672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18964	0.3
53.80063	0.4
59.01376	100.0
60.01715	0.9
61.98835	1.1
66.92335	0.4
71.01379	5.2
73.02948	1.2
75.00875	0.6
75.25881	0.4
82.22866	0.4
83.01395	0.6
85.02945	1.8
87.00909	0.6
89.02439	5.8
101.02436	3.7
113.02443	3.1
116.14795	0.4
117.12976	0.4
119.03492	2.2
125.55114	0.4
130.85744	0.4
143.03493	0.6
161.04550	2.1
179.05670	1.3
207.13939	0.7
209.11874	0.6
211.13451	2.9
227.03445	4.0
237.62117	0.4
245.95876	0.4
255.02945	5.4
256.03629	0.6
284.03275	5.4
285.03946	3.0
372.67120	0.5
387.20212	4.3
405.21582	0.9
411.83371	0.4
447.09247	5.6
447.14700	0.6
447.22156	0.7
448.10031	0.6
471.27832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
59.01660	0.8
60.01697	0.8
61.98827	21.3
65.99790	0.7
71.01349	2.4
74.73627	0.5
85.02941	0.6
89.02419	1.9
101.02419	1.8
106.91675	0.5
108.69788	0.5
110.06078	0.5
113.02438	0.9
115.00339	1.0
116.34135	0.5
119.04975	2.4
135.04503	0.5
145.02843	0.5
146.42509	0.5
154.04199	1.0
155.03731	1.0
163.03986	7.3
167.04965	0.6
168.04485	2.1
171.79866	0.5
179.03418	0.6
180.04498	1.4
181.05058	0.8
182.03683	1.4
182.06050	0.8
183.04471	1.4
184.03990	2.5
184.05417	0.7
184.14183	0.9
184.81100	0.5
186.91342	0.5
192.04497	0.8
195.04453	1.1
196.03935	1.1
197.02345	2.3
197.04681	0.9
198.03169	2.8
198.05501	0.6
199.04008	1.6
207.03267	0.8
208.03856	4.1
209.04362	0.6
210.03221	1.4
210.05415	1.0
211.03987	4.2
211.13400	6.8
212.04846	4.6
212.13701	7.4
213.05470	1.5
222.05521	4.1
223.04034	0.5
223.06273	1.3
224.03392	7.7
225.01956	1.6
225.04236	10.5
226.02643	7.2
226.05011	2.9
227.03365	2.0
228.03728	1.6
229.02112	0.6
236.03413	5.6
237.04057	0.8
238.05086	1.7
239.03447	3.5
239.05869	2.8
240.04187	3.8
240.06592	1.5
241.04875	2.1
242.04568	4.2
243.05261	1.0
250.05122	0.6
251.05907	6.4
252.02921	5.6
253.03764	14.1
253.09230	1.2
254.04503	7.5
255.06706	4.2
256.03311	2.6
267.05328	2.2
268.06122	31.5
269.06458	2.2
269.13928	3.4
270.04065	19.1
271.04831	60.1
272.05127	5.2
279.04959	1.1
284.03293	1.3
285.03702	2.1
285.06403	37.7
286.07178	100.0
287.07419	7.4
328.07993	0.8
357.90027	0.6
448.12512	76.3
449.12982	9.9
449.20236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
60.01704	0.3
61.98835	2.1
64.95126	0.2
71.01379	0.6
78.78195	0.2
78.94634	0.2
85.02965	0.2
88.49569	0.2
89.02455	0.4
93.11358	0.2
98.25981	0.2
131.05006	0.4
159.04507	0.4
164.38821	0.2
168.04553	0.7
169.06607	0.7
171.04599	0.3
180.04579	1.3
182.06079	0.3
183.04546	0.6
184.03940	0.5
185.02399	1.3
185.06029	0.3
195.04533	0.4
196.04001	1.1
197.06131	0.3
198.03220	0.7
199.03986	1.2
208.04002	0.8
210.01900	0.3
210.05592	0.3
211.04037	0.4
213.05594	3.2
224.03517	1.0
225.04269	6.3
226.05008	2.9
227.03445	1.9
227.63615	0.2
236.03569	0.3
236.14030	0.2
236.52710	0.2
237.05374	0.3
239.05833	0.2
241.05177	4.2
242.04593	4.2
243.05180	0.6
245.34230	0.2
250.05063	0.8
252.03053	0.3
253.03798	1.5
254.04552	3.2
255.05029	0.3
256.02875	0.3
268.05972	0.5
269.06860	0.3
270.04102	1.6
271.04852	24.1
272.05148	1.8
286.07199	100.0
287.07535	8.0
287.10806	0.2
448.12616	3.9
449.13336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62905	0.8
56.17792	0.8
57.13423	0.8
59.01378	24.1
60.01719	1.2
61.98832	4.3
69.20508	2.2
69.20918	5.4
71.01366	2.6
85.02942	1.4
86.58069	0.8
89.02428	2.2
98.12485	1.0
101.02412	2.0
113.02455	1.4
124.07641	1.8
153.67365	0.9
161.04539	1.0
167.04987	0.9
168.04561	0.9
175.64420	0.9
183.04471	1.9
184.04057	1.4
195.04555	1.7
198.03140	1.4
206.06052	1.0
208.03998	2.8
211.13383	6.2
212.13751	6.5
213.05540	6.9
214.05934	0.9
225.04347	1.1
226.02844	1.4
226.05048	2.7
227.03445	4.8
236.03465	1.0
238.05257	1.1
241.05063	8.3
242.04774	1.4
243.05290	1.2
243.10248	2.8
244.10616	2.9
253.03653	4.1
254.04550	7.9
256.03232	2.4
270.04095	3.8
271.04883	9.8
285.03665	2.9
286.07184	100.0
287.07590	8.1
287.14099	4.4
388.20505	1.1
448.09183	4.4
449.27460	2.6
465.35712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03451	1.0
57.38344	0.7
59.01379	100.0
60.01713	2.7
61.98830	96.3
69.22280	4.9
69.22682	1.8
71.01379	21.1
71.21794	0.7
72.99287	0.8
73.02940	5.4
83.01377	3.5
85.02949	9.1
87.00859	0.9
89.02445	10.1
95.01375	1.4
99.00878	3.4
101.02441	15.7
104.38412	0.7
113.02450	9.1
119.03471	3.8
121.02966	4.6
125.02431	1.3
125.03477	0.9
129.01950	1.0
143.03404	2.3
143.91188	0.7
159.02957	1.9
161.03300	0.8
161.04547	14.6
169.02521	0.7
179.05510	1.4
181.05069	4.9
243.06598	1.5
259.06046	1.2
287.05573	0.9
388.20325	2.2
389.21802	46.6
448.16721	0.9
448.22995	1.1
449.10413	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.2
60.01711	1.8
61.98828	83.3
70.64990	3.2
71.01373	2.3
78.95900	55.0
96.96967	5.4
111.94387	1.3
117.03474	1.4
121.03000	2.6
136.17680	1.2
152.99580	100.0
153.99806	1.6
157.21202	1.3
159.27733	1.3
169.88525	1.4
171.00601	6.0
227.03433	2.2
228.03769	2.2
256.03238	5.4
285.03610	4.3
286.04459	1.7
286.87149	1.5
349.33810	1.4
367.49426	1.3
371.57349	1.4
434.11850	2.1
448.09308	6.2
448.13867	4.8
449.13901	2.7
449.23065	12.2
471.04361	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04887	1.0
59.01383	13.8
60.01711	1.8
61.98830	55.8
69.01904	1.1
70.24482	4.4
72.98137	1.1
78.95905	65.2
79.39027	1.0
83.11886	1.0
86.34115	1.0
96.02965	1.1
96.96948	6.9
115.26968	0.9
125.87942	1.1
150.98012	2.6
152.99590	100.0
153.99947	10.2
155.00021	2.1
161.02412	1.4
171.00623	4.2
227.03523	1.5
256.03351	2.6
268.72968	1.2
285.03659	4.3
286.04327	1.3
325.66962	1.3
448.09521	5.0
448.21710	6.6
449.23056	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	449.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.5
56.27431	2.2
57.03438	6.5
58.00594	3.3
59.01375	100.0
60.01688	3.8
61.98827	12.7
69.03439	6.2
69.14656	9.4
69.15087	11.5
71.01377	99.2
72.99296	6.3
73.02948	17.0
74.00694	11.7
75.00871	7.6
76.00286	2.8
81.03441	3.4
83.01379	13.2
85.02946	47.0
87.00872	22.4
89.02445	47.2
93.03447	4.1
95.01386	8.5
96.96001	5.0
97.02944	17.8
99.00882	21.2
101.02432	72.4
111.00859	9.4
113.02445	46.7
116.92841	4.2
119.03482	21.8
119.04939	2.6
121.02940	16.5
125.02451	40.1
127.03998	3.2
131.03534	11.4
136.00719	7.3
143.03484	26.3
145.05055	3.0
155.03513	2.1
161.04543	49.3
179.05576	12.5
181.05058	10.0
187.39638	2.1
203.05676	3.7
221.06606	30.6
225.09201	5.6
235.08025	3.2
245.06636	27.5
247.67073	2.4
249.49184	2.6
255.02927	3.6
263.07700	17.5
265.54971	2.5
305.08875	2.5
323.09570	11.6
324.10205	3.2
329.50577	2.3
387.84396	2.3
449.10513	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	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30413	0.6
59.01382	100.0
60.01722	1.0
61.98843	3.4
61.99131	0.5
70.83868	1.3
71.01391	1.3
81.98937	0.5
89.02444	1.0
96.95996	0.9
101.02482	1.1
119.05084	0.6
121.02992	2.0
137.02448	4.0
149.06128	0.6
152.04800	2.1
153.05562	3.8
161.04677	0.7
181.03267	0.9
181.05061	1.2
184.03874	0.6
212.06905	7.0
213.07150	0.5
215.60378	0.5
221.61357	0.6
222.52531	0.6
227.09248	20.0
228.09531	0.7
237.06953	0.5
243.03247	0.5
247.16331	0.6
259.05582	0.6
267.06387	0.6
278.21130	0.5
348.97177	0.5
449.16080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.3
59.01377	49.0
61.98826	2.3
69.34615	8.2
71.01382	14.3
85.02962	3.2
87.00868	1.9
89.02437	14.9
93.03423	1.4
94.46163	1.1
98.19849	2.9
99.08154	49.9
100.08446	2.6
101.02451	6.3
113.02428	6.2
118.56336	1.2
119.03500	8.4
119.05000	2.2
127.07648	58.3
128.07899	1.7
129.05577	100.0
130.05881	3.2
133.99054	1.6
135.04526	9.1
136.04834	3.8
149.04517	1.3
153.05565	31.2
154.05945	1.6
161.04527	4.8
171.06610	16.7
179.03473	12.3
179.05554	12.1
180.03841	6.8
181.03976	5.1
203.08109	1.8
279.66086	1.4
287.05566	2.2
389.21603	4.4
411.99286	1.5
449.10239	5.5
449.19629	32.5
450.20459	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.6
59.01379	51.3
61.98823	6.7
71.01373	28.5
71.10940	3.2
73.02959	4.6
75.00885	1.7
76.06603	2.0
77.09808	1.6
83.01369	3.8
83.05041	2.7
83.27374	1.8
84.43890	1.7
85.02946	8.2
87.00874	1.9
89.02442	18.0
89.84937	1.9
99.00890	2.1
99.08153	40.3
100.32068	1.6
101.02451	14.9
101.06068	2.9
108.82272	1.6
113.02448	12.2
113.09725	63.6
119.03495	12.0
124.01644	4.9
127.07650	53.9
129.05576	87.2
137.06085	5.1
141.09218	75.1
141.10332	3.1
143.07135	100.0
144.07500	4.2
147.04509	1.7
151.11288	3.8
153.05574	27.0
154.05846	1.7
161.04556	16.8
167.07135	43.3
169.12341	25.8
171.06635	15.0
179.05627	11.7
181.05035	3.5
185.08163	20.2
211.04012	2.8
213.11374	4.2
226.76678	1.8
228.03979	2.5
240.04301	5.7
241.05043	1.9
242.05769	8.3
253.09192	2.4
257.04050	1.6
263.11392	16.7
265.00131	2.0
268.03760	22.5
269.04266	2.3
269.08194	2.0
277.12927	7.0
285.03928	3.4
286.04718	13.9
287.04996	2.9
333.09653	2.6
389.21628	3.4
431.09824	6.7
431.19247	7.9
449.10745	49.8
449.20227	98.6
450.11166	6.1
450.20477	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	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.17169	0.2
68.82545	0.2
70.99149	0.4
78.95899	54.5
96.96956	6.5
110.46446	0.2
136.44101	0.2
146.20555	0.2
150.97993	1.8
152.99576	100.0
153.99901	1.8
155.00063	0.2
168.43076	0.2
171.00624	4.3
195.13870	0.2
207.09381	0.2
284.90414	0.2
295.22745	0.8
441.34222	0.2
449.23016	10.2
450.23407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79008	0.2
57.40421	0.2
59.01372	2.0
60.12459	0.2
61.98826	6.0
69.15662	0.6
69.16079	1.8
69.31315	0.2
71.01384	0.7
75.41661	0.2
78.08520	0.2
89.02386	0.3
95.05006	0.4
101.02430	0.5
113.02477	0.3
119.05013	0.3
123.03255	15.5
124.03600	0.3
138.05597	100.0
139.05951	3.8
182.04568	6.9
183.04836	0.3
228.81870	0.2
229.92096	0.2
238.60619	0.2
250.18213	0.2
278.66663	0.3
289.05060	0.3
289.10779	0.7
344.09683	0.4
352.29193	0.3
450.14304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90672	0.5
52.25842	0.5
53.56401	0.6
56.64391	0.5
59.01109	0.9
59.01383	10.1
60.01706	1.2
61.98823	2.4
62.81707	0.6
65.69981	0.5
71.01375	1.9
71.48810	0.8
72.00915	11.4
75.00880	1.7
78.95919	0.7
81.21562	0.5
85.02956	0.6
89.02448	1.5
91.05562	0.9
101.02464	1.3
103.05553	1.2
109.02941	1.1
111.04556	0.6
113.02464	1.1
114.01995	0.6
115.00394	0.7
119.03481	0.7
119.05042	0.7
123.04548	0.8
147.04533	33.7
148.04849	1.6
151.00378	1.1
161.04512	0.7
164.07172	100.0
165.07524	4.6
175.02492	1.1
176.52916	0.6
179.05663	0.9
179.74150	0.6
343.14127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
59.09325	0.6
61.98828	100.0
69.17617	0.5
69.33595	2.9
69.34003	1.3
71.01378	1.2
78.00591	0.5
78.34081	0.6
85.02968	0.8
89.02474	0.8
101.02467	1.0
101.62328	0.5
108.93808	0.6
113.02436	1.1
135.03044	0.8
138.05656	0.7
161.04626	0.7
189.53088	0.7
204.68539	0.7
314.78964	0.7
390.22403	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	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97423	0.6
59.01366	0.9
61.63789	0.8
61.98828	100.0
69.44017	3.3
69.44440	1.8
78.26289	0.6
157.04573	0.8
195.47575	0.8
213.25081	0.6
237.91554	0.7
468.92212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48569	0.6
57.15923	0.6
59.01381	4.6
61.98831	100.0
63.58158	0.6
66.94163	0.7
69.73936	1.4
69.74346	1.9
71.01386	1.3
71.36668	0.6
83.61693	0.6
85.02953	0.6
89.02476	1.8
99.08143	0.7
101.02464	0.8
107.21558	0.7
112.13802	0.5
115.00375	0.7
119.03525	0.9
123.03333	0.6
127.07665	1.8
129.05655	1.9
138.05646	1.7
153.05623	1.1
245.08241	0.7
364.51297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45101	1.0
57.38098	1.2
59.01379	20.0
60.01702	2.4
61.98828	100.0
62.46748	1.1
64.69103	1.0
69.39430	9.9
71.01388	3.8
73.38885	1.3
89.02437	3.7
101.02408	2.5
105.84323	1.1
113.02415	2.1
114.69423	1.2
119.03519	1.2
122.03799	1.6
125.89690	1.4
127.07646	1.2
136.01660	3.7
137.06056	3.0
137.37277	1.3
138.05606	5.2
138.09216	3.4
151.03987	9.6
153.01891	6.9
182.08211	5.4
183.03009	1.6
219.02646	1.2
238.44563	1.2
247.41246	1.5
289.10684	14.9
311.79202	1.2
315.07242	4.5
330.03949	1.2
390.21942	2.0
418.33896	1.3
470.28189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07941	1.3
53.84570	1.3
59.01382	11.8
60.01695	1.6
61.01793	1.8
61.98829	100.0
70.90755	2.0
70.91100	3.1
71.01366	1.7
88.12757	1.2
89.59534	1.3
94.10522	1.5
101.14600	1.2
104.64312	1.5
113.53277	1.3
184.35670	1.2
200.66597	1.3
328.74173	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	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84192	0.7
57.03448	1.6
59.01384	17.4
61.36699	0.7
61.98833	17.8
65.00330	16.0
65.25641	0.6
67.01899	1.5
68.33642	0.6
68.99815	0.7
71.01388	10.6
71.50267	0.6
72.99313	1.4
73.02942	1.2
74.02462	0.8
75.00877	1.0
78.61471	0.8
83.01381	7.4
83.04981	0.8
85.02956	3.2
87.00893	1.9
89.02450	8.3
92.64523	0.7
93.03463	1.4
95.01405	1.6
96.96028	1.5
97.02978	0.7
99.00879	2.7
99.04512	2.3
99.92596	3.5
100.93373	1.4
101.02446	6.1
103.01872	2.0
107.01393	25.8
109.02984	1.4
111.00904	1.5
111.02005	1.4
112.00414	1.6
113.02438	3.8
115.00372	1.3
115.92079	16.0
116.92094	1.4
116.92852	6.6
119.03506	2.8
119.05014	1.5
121.02941	1.3
121.17194	0.7
123.04543	1.7
125.02444	5.5
126.94897	0.9
127.05136	0.9
131.01401	7.4
137.02452	2.1
137.48404	0.7
138.05574	1.1
138.41530	0.7
139.07532	0.7
141.02100	0.8
142.94337	0.8
143.03596	0.9
149.02441	1.7
151.00371	100.0
152.00722	4.1
159.37691	0.7
161.02489	1.1
161.04547	1.9
164.07162	1.0
165.01866	2.1
168.95822	0.8
169.01410	1.7
171.04492	0.8
175.00368	38.1
176.00739	2.1
176.10744	1.0
179.05646	1.8
181.05026	1.0
187.02525	1.7
193.01442	2.6
201.05597	3.0
201.07475	1.0
202.12430	0.7
205.01404	3.0
226.96564	2.5
228.04286	3.1
229.05083	1.1
243.06598	1.5
244.97540	5.6
245.04536	2.8
245.08194	4.2
262.98553	2.2
271.06219	1.4
289.07181	2.3
289.20251	1.1
313.05627	11.2
321.09052	1.0
331.06778	3.2
390.10904	0.8
405.21185	1.7
451.13391	4.8
451.22348	9.1
452.12234	1.2
469.02716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1758
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
59.01365	4.7
61.98820	2.1
71.50800	0.8
78.95891	1.6
93.03471	2.3
96.62311	1.0
96.96018	1.0
99.00867	1.3
108.02185	7.4
109.02946	1.5
121.02961	18.1
122.03762	10.7
122.30923	0.8
123.04525	15.7
124.01646	2.5
124.04915	1.1
134.03749	0.9
135.04501	5.4
136.05286	6.5
137.02390	3.5
137.06064	1.4
145.02888	0.9
145.24168	1.1
148.01750	1.3
149.02446	6.8
149.06026	1.2
150.03249	5.8
151.07663	2.2
151.54083	0.8
152.66299	0.8
154.02701	2.7
161.02448	12.8
162.03221	59.7
163.03970	6.3
164.01170	1.4
164.04759	3.2
165.05580	5.4
167.03546	0.8
168.04268	2.3
175.04013	1.0
176.01215	2.0
176.04779	2.0
177.05556	11.5
194.02245	1.3
201.13263	0.8
213.28369	0.8
239.07050	1.2
240.07919	2.0
249.11237	0.9
267.06503	1.0
282.08832	1.6
284.06949	2.4
298.08450	37.0
299.09164	14.2
313.10797	27.1
314.11264	1.5
315.12311	2.6
327.12378	1.7
403.12024	1.4
419.14932	1.2
427.49930	1.0
451.17587	100.0
452.17941	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	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59953	0.4
61.98816	0.7
70.10051	0.8
70.10432	1.2
71.01381	9.5
84.93880	0.5
87.00875	0.3
87.72569	0.3
99.92579	29.7
100.92619	1.6
100.93359	8.4
115.92072	100.0
116.92109	5.4
116.92851	67.5
117.92899	3.9
126.94921	0.7
129.12239	0.4
132.92343	1.2
144.95988	1.2
154.94376	0.4
172.95457	38.1
173.95503	2.3
186.93361	0.6
255.23283	2.4
277.21710	2.1
377.14221	0.6
393.13791	1.0
433.16931	1.3
451.18149	3.2
452.17938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.6
61.98812	3.6
70.13944	1.7
70.98419	2.6
70.98760	3.4
71.01389	9.9
79.83889	1.5
87.00853	1.6
89.02447	8.5
99.92580	8.1
100.93443	1.9
101.02472	4.0
113.02453	3.6
115.92081	15.9
116.92870	100.0
117.92902	3.9
119.03523	3.9
179.05611	4.3
183.62468	1.6
190.37173	1.6
229.53397	1.6
243.25844	1.6
244.97433	1.8
330.68741	1.8
339.60056	1.7
386.29285	1.5
451.05460	2.3
451.22220	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	451.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76387	4.0
55.63909	3.9
57.03448	6.8
59.01377	24.9
59.67341	3.6
61.98814	8.0
71.01375	15.4
71.50936	5.1
73.02949	19.9
83.01388	34.5
85.02965	6.4
87.00876	35.4
99.92566	4.3
105.28149	3.8
111.00880	44.7
115.00381	18.0
115.92084	25.6
116.92836	5.4
118.07160	4.0
125.06042	6.3
129.01921	5.9
138.98392	4.0
145.01422	11.8
147.02997	4.4
187.00403	4.3
241.30348	4.4
255.23244	4.9
273.22192	20.2
277.18890	7.2
277.21704	100.0
278.21988	10.0
291.23291	72.7
292.23663	7.3
295.53036	3.8
301.21426	4.4
303.23279	4.3
319.22739	35.5
337.14175	4.8
474.20242	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	451.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93479	0.1
58.02967	0.2
59.01379	1.4
59.20143	0.1
61.98835	1.6
69.17154	1.3
69.17487	0.2
69.43206	0.1
71.01374	0.5
73.02942	0.2
76.64468	0.1
80.05063	0.2
81.03455	8.4
82.03786	0.1
82.06631	0.2
83.05022	24.9
84.05357	0.6
89.02449	0.4
90.69583	0.1
95.28593	0.1
100.07677	0.2
101.02434	0.4
107.06129	0.7
108.04543	1.0
113.02443	0.2
115.00384	0.3
125.02437	0.3
125.07200	3.0
126.05595	0.5
127.07635	0.5
129.05540	0.2
133.01422	0.5
136.01656	0.2
137.02419	0.2
143.08252	1.7
149.99614	0.2
151.03999	0.3
157.13445	0.2
161.04472	0.2
163.03951	0.2
168.00632	0.3
171.06570	0.5
183.03061	0.1
184.06119	0.1
203.85548	0.1
207.15002	3.2
207.16954	0.2
208.15250	0.3
224.17670	4.5
225.16069	12.5
225.17879	0.4
226.16386	0.7
242.18721	1.7
247.05470	0.3
250.15611	0.3
268.16589	0.3
289.10764	0.5
290.22354	0.3
306.22031	0.2
307.24100	0.3
309.21811	0.5
324.26535	1.7
325.26743	0.2
328.20465	0.1
333.22931	4.1
334.23151	0.4
339.27710	0.2
341.29196	0.2
351.24042	1.0
367.27130	1.7
385.28082	0.3
391.23062	0.3
407.19608	0.2
416.68814	0.1
433.31818	5.7
434.32257	0.8
449.11771	0.1
451.32849	100.0
452.33167	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	452.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89135	0.4
56.19300	0.4
59.01379	9.0
61.98821	1.9
69.27906	1.6
69.28329	1.9
71.01381	4.3
74.54431	0.4
78.74010	0.4
84.04540	1.4
94.02975	0.6
97.01688	0.7
110.02465	0.6
112.04044	21.3
113.02457	0.7
119.24970	0.4
122.06087	2.3
124.04044	18.1
125.04420	0.4
128.69026	0.4
140.07175	9.4
166.05077	2.6
184.06137	100.0
185.06473	4.3
410.34195	0.5
452.15579	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	452.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
61.98825	100.0
71.01376	3.5
72.74150	0.8
85.02931	1.4
85.50634	0.9
87.00880	0.8
87.30400	0.9
89.02440	2.9
98.20687	1.4
101.02432	3.2
113.02439	2.1
115.00368	2.0
119.04949	1.0
121.92648	1.0
131.03528	0.9
161.04510	1.0
175.02438	2.1
185.61194	0.9
198.99710	0.8
239.43663	0.8
270.02121	0.8
286.62106	0.9
290.20566	2.8
317.43686	0.9
352.11487	0.9
392.23645	1.5
452.25790	10.3
453.26376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
60.01717	0.7
61.98827	100.0
71.01388	2.2
71.41757	0.6
98.19868	1.2
99.00866	0.8
99.08157	0.9
101.02444	1.2
108.74956	0.6
113.02488	0.8
121.72363	0.6
128.99380	0.7
129.05559	1.0
134.94281	0.6
161.04634	0.7
336.10376	0.6
392.23557	0.9
408.05426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88549	0.7
59.01385	2.6
61.98832	100.0
65.67426	0.7
69.62025	3.8
71.01377	0.9
73.02966	0.6
77.21769	0.7
96.33450	0.7
98.20594	0.9
110.76547	0.7
136.01698	1.3
136.47455	0.7
141.04839	0.8
151.04025	3.2
152.04381	1.6
153.02010	1.5
163.03885	0.7
166.05145	1.1
184.06197	0.8
184.36700	0.7
188.07735	0.7
240.44591	0.7
258.30676	0.8
289.10980	2.9
290.11169	6.6
392.80112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96632	0.2
53.67813	0.2
68.09904	0.3
75.69271	0.2
78.95903	6.3
79.64052	0.2
87.02769	0.2
98.19874	0.6
140.01201	1.6
152.99547	0.7
170.02066	0.2
176.08386	0.2
187.22134	0.2
196.03804	1.3
214.04863	2.7
237.22368	0.5
251.50435	0.3
255.23282	100.0
256.23624	8.7
401.26932	0.3
452.27802	8.8
453.28329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.22035	0.2
70.99117	0.4
78.95899	20.6
91.55074	0.2
104.97472	0.3
122.00146	1.0
134.98492	0.2
140.00102	0.3
140.01184	5.6
152.99582	2.0
166.02750	0.4
171.00571	0.2
196.03795	10.4
214.04842	1.8
217.69310	0.2
237.22107	0.3
255.23271	100.0
256.23627	9.1
256.26389	0.3
379.84549	0.2
391.22266	0.2
435.78076	0.2
452.27780	23.0
453.28146	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	453.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88895	2.2
58.00576	3.0
59.01378	35.3
61.98539	3.9
61.98830	53.9
71.01391	18.0
71.50726	2.7
72.99314	4.2
73.02936	3.7
74.88322	2.7
83.01363	6.4
85.02942	5.8
86.03866	2.4
87.00863	19.5
89.02480	3.9
89.63808	2.3
92.57099	2.6
93.03454	57.2
97.41413	2.3
98.22971	2.9
99.00858	7.8
99.08157	18.9
101.02440	7.0
113.02438	5.7
113.99580	29.2
115.00380	63.6
119.05020	10.6
123.04524	4.6
127.07668	25.9
129.01924	3.0
129.04715	3.9
129.05588	51.2
131.04967	2.8
133.02945	16.3
135.04492	5.8
147.04509	7.1
149.06062	3.7
153.05548	4.2
157.01390	6.5
163.04021	3.5
165.05554	19.3
171.06602	4.3
175.02483	100.0
175.03981	6.8
176.02806	4.6
177.05620	6.0
181.05055	7.9
189.07695	96.2
193.05113	14.3
219.06546	6.0
221.04558	85.3
222.04810	6.3
254.42700	2.5
263.05722	3.5
347.09695	5.8
393.34833	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	453.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88895	2.2
58.00576	3.0
59.01378	35.3
61.98539	3.9
61.98830	53.9
71.01391	18.0
71.50726	2.7
72.99314	4.2
73.02936	3.7
74.88322	2.7
83.01363	6.4
85.02942	5.8
86.03866	2.4
87.00863	19.5
89.02480	3.9
89.63808	2.3
92.57099	2.6
93.03454	57.2
97.41413	2.3
98.22971	2.9
99.00858	7.8
99.08157	18.9
101.02440	7.0
113.02438	5.7
113.99580	29.2
115.00380	63.6
119.05020	10.6
123.04524	4.6
127.07668	25.9
129.01924	3.0
129.04715	3.9
129.05588	51.2
131.04967	2.8
133.02945	16.3
135.04492	5.8
147.04509	7.1
149.06062	3.7
153.05548	4.2
157.01390	6.5
163.04021	3.5
165.05554	19.3
171.06602	4.3
175.02483	100.0
175.03981	6.8
176.02806	4.6
177.05620	6.0
181.05055	7.9
189.07695	96.2
193.05113	14.3
219.06546	6.0
221.04558	85.3
222.04810	6.3
254.42700	2.5
263.05722	3.5
347.09695	5.8
393.34833	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	453.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
61.98828	100.0
68.51276	0.4
71.01392	1.0
73.02950	0.5
83.01392	0.3
93.03497	0.6
97.01166	0.3
101.02439	0.9
101.63766	0.3
105.01964	0.5
113.87107	0.4
115.00371	0.8
120.81833	0.4
129.05559	0.7
140.07149	0.4
141.09251	0.4
158.19852	0.3
175.02487	1.2
185.08281	0.5
189.07724	0.8
221.04628	0.8
241.92928	0.3
453.26224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78740	0.3
53.67334	0.4
54.23893	0.3
55.11575	0.3
58.93413	0.3
66.74014	0.3
67.76363	0.3
71.01387	9.1
71.05946	0.7
84.93864	0.4
99.00894	0.4
99.92587	28.1
100.92612	1.4
100.93369	6.3
115.92081	100.0
116.92119	4.8
116.92860	67.8
117.92899	3.1
132.92363	1.4
142.94464	0.3
144.92294	0.4
144.96005	1.1
154.94424	0.4
172.95470	41.3
173.95496	1.8
184.91824	0.3
186.93376	0.6
255.23120	0.4
279.23215	2.6
296.76678	0.4
379.15823	0.9
395.15396	1.2
435.18497	0.9
453.19479	5.5
454.19995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03448	8.7
58.00576	1.7
59.01377	31.4
61.80062	0.7
61.98821	9.5
71.01377	32.0
72.01701	0.8
72.99276	1.1
73.02934	9.2
73.30564	0.8
75.00855	1.4
83.01390	4.6
83.05017	1.0
85.02938	12.8
87.00876	2.2
89.02438	13.4
95.01392	1.8
98.19949	2.2
99.00879	3.1
99.08153	38.8
100.08522	1.2
101.02433	27.3
113.02444	16.5
114.93388	0.9
115.00401	1.3
119.03477	4.7
119.07148	4.5
123.63206	0.8
125.02437	1.2
127.07647	67.1
128.07988	2.8
129.05576	95.3
130.05910	3.0
135.02995	3.4
143.03473	1.3
143.07085	0.8
153.05547	18.9
153.06740	1.4
159.02969	2.4
161.04549	18.9
171.06610	18.7
175.02510	1.0
179.05646	1.8
184.06113	2.8
185.06413	1.4
249.13370	1.1
263.11398	1.1
281.12390	100.0
282.12683	5.8
335.17197	2.0
390.03360	0.8
411.18610	4.8
435.18524	1.4
453.19733	49.8
454.20276	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	453.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03448	8.7
58.00576	1.7
59.01377	31.4
61.80062	0.7
61.98821	9.5
71.01377	32.0
72.01701	0.8
72.99276	1.1
73.02934	9.2
73.30564	0.8
75.00855	1.4
83.01390	4.6
83.05017	1.0
85.02938	12.8
87.00876	2.2
89.02438	13.4
95.01392	1.8
98.19949	2.2
99.00879	3.1
99.08153	38.8
100.08522	1.2
101.02433	27.3
113.02444	16.5
114.93388	0.9
115.00401	1.3
119.03477	4.7
119.07148	4.5
123.63206	0.8
125.02437	1.2
127.07647	67.1
128.07988	2.8
129.05576	95.3
130.05910	3.0
135.02995	3.4
143.03473	1.3
143.07085	0.8
153.05547	18.9
153.06740	1.4
159.02969	2.4
161.04549	18.9
171.06610	18.7
175.02510	1.0
179.05646	1.8
184.06113	2.8
185.06413	1.4
249.13370	1.1
263.11398	1.1
281.12390	100.0
282.12683	5.8
335.17197	2.0
390.03360	0.8
411.18610	4.8
435.18524	1.4
453.19733	49.8
454.20276	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	453.2128
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01876	1.0
57.03441	1.5
58.00581	1.3
59.01380	100.0
60.01711	0.7
61.98835	4.7
69.03468	1.5
70.65524	2.1
71.01382	31.1
72.99304	1.1
73.02947	26.1
75.00871	1.0
79.05568	1.0
80.91731	0.8
81.03487	0.9
83.01385	7.5
83.05020	4.2
85.02950	7.0
87.00896	2.0
89.02439	7.4
95.01393	2.0
95.05016	0.7
97.02971	1.7
97.06603	2.6
99.00896	1.2
99.08185	0.7
101.02447	22.8
102.98613	0.8
109.02946	1.1
113.02452	16.6
114.05608	0.9
114.20084	0.8
119.03530	2.2
119.05034	0.8
121.06616	1.2
123.08167	1.6
125.02473	1.3
125.06061	3.3
130.18181	0.7
131.03546	1.4
136.05287	2.1
137.09738	5.2
138.06892	4.6
139.07732	1.1
143.03520	1.7
149.04601	1.2
151.07646	6.9
152.08429	20.9
153.05762	0.7
153.09216	24.1
154.09538	1.5
161.04541	8.9
161.09682	6.2
165.09213	7.0
171.08083	0.7
178.10048	2.0
187.11275	11.4
189.12875	0.9
191.05357	0.8
191.10851	2.5
201.09213	1.0
203.05659	2.3
203.10841	0.9
205.12244	3.3
213.12950	1.3
215.10825	2.8
229.12575	0.8
231.13878	27.6
232.14366	2.5
234.12639	1.5
249.14954	25.4
250.15332	2.1
281.12393	1.4
283.04944	1.1
296.79120	0.7
393.19247	4.2
405.94632	0.7
411.20383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70508	33.3
56.40706	29.9
60.49850	27.9
62.68532	33.7
64.89526	28.5
71.00975	30.6
71.01433	33.6
71.51162	53.5
72.45080	34.6
139.04680	32.8
159.73235	30.0
181.35542	29.6
246.62566	31.7
255.23222	100.0
332.90567	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.66916	0.4
61.98828	100.0
63.81093	0.4
64.69103	0.4
71.01383	0.5
89.02460	0.6
93.03472	0.9
98.20651	1.1
101.02452	0.5
208.06761	0.4
209.11855	0.4
253.08777	0.5
259.13593	0.6
361.14352	0.5
396.32428	0.4
438.14240	0.6
454.17523	4.6
455.26932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.1
61.98827	100.0
64.81112	0.6
71.01373	2.5
85.02969	0.5
87.19104	0.6
89.02450	1.6
97.71186	0.5
101.02457	1.3
109.06548	0.5
110.96087	0.6
113.02479	0.9
119.03548	0.7
124.67388	0.5
151.66928	0.5
197.75482	0.6
275.20355	0.6
291.19568	0.7
292.19992	1.5
293.21347	0.7
455.26471	5.0
459.47183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98830	12.2
68.99807	0.3
71.01385	1.6
71.50497	0.4
73.02937	0.6
83.01395	0.4
85.02949	0.5
87.00894	0.5
89.02448	0.5
89.89613	0.2
93.02180	0.3
93.03474	0.4
95.01413	0.3
96.96003	0.3
97.02949	0.3
98.95595	0.3
99.00886	0.4
99.08159	0.6
99.92584	11.9
100.92574	0.9
100.93388	1.2
101.02452	1.1
103.00390	0.5
107.01389	0.4
108.02195	0.3
111.00862	0.6
115.00393	0.3
115.92081	23.1
116.92861	100.0
117.92875	5.6
117.93716	0.2
118.00386	0.3
118.01179	0.3
120.99621	0.4
123.04496	0.3
125.02485	0.6
125.06068	0.4
125.13290	0.2
127.04003	0.3
127.07669	0.8
129.05579	1.3
130.05940	0.4
132.92375	0.4
136.32155	0.3
140.92944	0.4
141.93654	0.8
142.94408	0.6
143.07115	0.8
151.00363	0.4
153.01888	0.3
156.92279	0.3
158.93987	0.3
163.04036	0.5
168.00578	0.3
169.01433	0.8
169.93283	0.3
174.93434	0.3
175.02542	1.2
184.91814	1.4
184.95610	0.3
187.06165	1.6
187.07634	0.3
189.00365	0.3
212.64151	0.3
221.08170	0.5
251.07083	0.6
281.12375	0.7
282.12762	0.7
292.03162	0.7
292.53281	1.3
293.03281	0.4
320.52789	0.3
333.00696	0.7
334.01062	0.3
351.01706	2.4
352.02280	0.5
369.02820	3.7
370.02948	0.4
373.05481	0.3
373.55875	0.8
381.02994	0.6
393.02652	1.3
411.03842	2.8
412.03961	0.6
419.00748	0.9
454.20285	0.4
455.02875	7.8
455.10202	0.4
455.15494	0.6
455.20767	0.6
456.02975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68369	1.6
59.01381	17.6
61.98827	100.0
69.76443	5.3
69.76852	3.8
70.91632	1.7
71.01371	6.9
73.02909	3.8
78.17690	1.4
83.01363	2.1
85.02948	2.1
89.02426	3.3
89.70816	1.5
90.78532	1.4
98.19968	1.7
101.02422	5.7
107.40291	1.6
110.90945	1.6
113.02429	2.1
115.00337	2.0
119.41628	1.7
123.79255	1.6
163.03960	2.0
175.02419	3.7
189.09105	1.7
242.05859	11.8
243.06529	3.8
250.72641	1.5
251.07005	4.0
257.05627	2.9
257.08115	22.7
405.11853	6.3
455.11118	5.1
465.45599	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	455.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98797	0.5
64.90521	0.3
68.47737	0.4
69.34502	0.3
70.51929	1.1
72.06443	0.4
78.95905	7.0
96.96936	0.7
119.87982	0.4
141.23880	0.3
152.99564	14.3
171.00569	1.0
196.36116	0.4
227.03239	3.7
227.20143	100.0
228.20482	6.9
242.01120	0.4
245.04279	1.5
281.65607	0.4
293.96048	0.4
455.24115	20.6
455.34225	2.0
456.24414	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01374	5.3
61.13488	0.9
61.98815	2.3
70.41365	2.9
70.41717	1.2
70.43031	1.0
71.01361	4.1
78.95902	1.1
85.02940	2.0
97.06506	0.9
101.02402	2.1
113.02437	2.8
115.58955	0.9
121.10200	2.5
125.09729	1.4
133.28276	1.0
168.97697	1.0
171.10268	6.7
195.13899	7.5
211.13246	1.3
223.13370	4.9
231.21072	1.3
275.20108	14.8
276.20438	1.9
293.21198	100.0
294.21509	11.4
347.22168	1.2
440.96411	1.1
455.26849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.4
58.00596	1.4
59.01376	28.8
61.98817	3.3
66.04951	1.3
69.03435	3.1
69.05875	1.3
71.01375	22.9
71.05025	1.5
71.50911	1.8
72.99298	17.8
73.02943	1.6
81.03446	9.3
83.01395	11.7
84.02161	1.3
85.02946	41.8
87.00868	2.4
87.04514	1.8
89.02439	19.5
89.98627	1.3
97.02918	6.8
99.04504	10.7
101.02419	3.4
101.28535	1.3
105.31271	1.6
113.02446	2.3
125.02396	1.8
125.19514	1.2
129.01952	1.6
131.03497	27.2
143.03496	16.2
150.47066	1.3
159.03058	1.4
161.04552	86.1
162.04871	2.8
179.05597	6.8
189.07446	1.1
195.13875	11.2
211.13426	1.4
219.90491	1.3
223.13344	7.7
228.13660	1.5
229.16174	1.3
256.13190	2.8
275.20099	3.7
293.21219	96.9
294.21597	8.9
361.14291	2.3
455.26456	100.0
456.26694	14.0
482.63699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78648	0.9
57.03444	8.9
59.01115	1.2
59.01381	16.4
67.48335	0.9
69.03443	1.6
71.01379	21.6
72.99313	5.0
73.02943	1.5
75.00871	81.5
75.57090	0.8
78.95894	4.0
80.96309	1.0
83.01382	1.8
84.02159	1.8
85.02950	18.4
87.00869	16.8
89.02432	6.6
97.02938	2.6
98.20746	1.7
99.00864	7.4
101.02426	3.4
103.00355	1.4
111.00870	2.5
117.01888	1.7
129.01938	20.3
141.01927	2.6
149.04527	0.9
159.02971	5.7
159.10262	1.6
161.02411	1.8
170.36809	1.0
175.04712	0.8
177.04027	89.7
178.04340	4.0
195.05072	1.6
196.23381	1.0
221.17252	1.0
233.22810	1.0
255.23238	3.1
256.23715	9.6
257.23932	5.3
258.24197	6.9
277.21707	67.5
278.21954	6.4
312.63892	0.9
419.24341	1.5
455.26443	100.0
456.26764	13.3
473.86728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14256	0.2
56.53981	0.2
57.03460	0.6
59.01382	2.7
61.98831	100.0
67.57319	0.2
69.74184	1.3
71.01395	3.0
72.99295	0.2
82.33910	0.2
85.02966	0.4
87.00880	3.7
89.02454	0.3
99.08157	2.2
101.02428	0.4
110.94307	0.3
113.02473	0.4
115.00368	7.2
116.92865	0.4
118.45500	0.2
123.04529	3.8
123.05380	0.3
127.00429	0.5
127.07655	2.1
129.05609	1.8
133.01453	0.3
139.00320	0.3
147.04535	0.4
153.05565	1.6
157.01428	0.5
161.04620	0.4
161.06183	0.3
171.06682	0.4
175.02470	27.6
176.02850	1.2
253.08727	0.6
285.09869	0.8
297.07709	0.5
303.02914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49115	0.8
59.01382	10.8
69.42722	0.8
69.99096	1.7
69.99449	3.5
71.01384	16.3
72.99307	1.5
73.02951	1.8
76.90584	0.8
79.89790	0.8
83.01405	0.9
85.02962	1.0
87.00876	29.7
88.49448	0.9
101.02457	1.6
113.02437	1.8
115.00373	46.2
116.00738	0.9
127.00380	1.5
155.01913	0.9
175.02484	100.0
176.02840	3.4
179.03413	1.0
202.95679	1.0
283.63962	0.9
289.55652	0.8
465.60834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.2
59.01378	6.5
59.73598	0.3
61.98828	7.2
70.34692	1.2
71.01379	4.0
73.02946	1.3
73.56225	0.3
77.03942	0.5
81.07099	0.4
83.01399	0.5
83.05036	0.4
85.02959	1.9
89.02450	0.9
93.03458	0.6
95.01424	0.5
95.05024	1.7
99.00855	0.5
99.08154	65.0
100.08477	1.9
101.02442	2.7
105.03458	1.3
109.06592	0.8
113.02420	2.0
121.02939	1.0
122.03703	0.6
123.04519	100.0
124.04851	3.5
127.07647	69.9
128.07991	2.6
129.05576	27.6
130.05846	0.6
137.06055	1.0
138.03209	1.4
143.07077	0.4
149.02499	0.7
153.05571	44.2
154.05908	2.1
161.04530	7.1
171.06622	15.9
171.08099	0.8
172.06964	0.6
189.07686	2.0
221.11086	0.4
248.38379	0.3
259.09772	3.8
260.10083	0.4
285.09787	12.3
286.10159	1.2
333.73599	0.4
413.14157	0.6
421.15164	0.9
457.17117	6.6
457.23163	0.3
458.17245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.7
59.01376	1.1
61.98818	1.4
71.01394	2.9
73.02952	0.8
80.15286	0.7
85.02940	1.3
91.56625	0.6
95.05022	1.9
99.08156	58.7
100.08485	1.4
101.02445	1.5
105.03445	1.7
113.02450	1.2
121.02911	0.8
123.04523	100.0
124.04844	3.1
127.07650	67.8
128.07990	1.0
129.05580	25.3
138.03226	0.8
147.04556	0.8
153.05573	44.1
154.05943	1.4
154.18787	0.6
161.04558	9.5
171.06616	16.1
189.07646	2.6
239.30322	0.6
247.59009	0.6
253.08623	1.5
285.09790	12.4
286.10147	0.7
457.17151	6.3
458.17740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25676	0.4
57.03446	12.2
59.01369	1.8
71.01385	3.5
73.02956	0.9
77.03958	0.5
80.46779	0.4
83.05017	0.5
83.48378	0.4
85.02952	1.6
95.05022	2.0
99.08154	68.0
100.08495	1.6
101.02412	2.2
101.06062	0.7
105.03458	1.6
109.06575	0.7
113.02434	1.4
123.04517	100.0
123.98623	0.4
124.04851	2.3
127.07647	78.1
128.07988	2.7
129.05574	81.0
130.05907	1.5
138.03223	1.4
143.03403	0.5
143.07098	0.6
148.79712	0.4
149.02516	0.7
153.05566	47.6
154.05893	1.7
159.02940	0.8
161.04541	11.5
162.04915	0.4
171.06610	23.2
172.06992	1.3
176.38354	0.4
189.07683	5.1
207.06641	0.6
285.09772	17.5
286.10184	1.0
400.98300	0.5
439.16171	2.2
457.17145	22.2
458.17300	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02961	0.3
53.88952	0.2
54.28407	0.2
55.01881	0.3
57.03449	14.5
58.03775	0.3
59.01371	0.7
63.60804	0.2
64.28252	0.2
70.25565	0.3
71.01385	2.5
73.02957	0.8
77.03960	0.7
77.90115	0.3
81.07105	0.5
83.05006	0.4
85.02956	1.3
95.05025	1.9
98.20757	0.6
99.00863	0.4
99.08161	59.3
100.08501	1.1
101.02434	1.5
105.03470	1.9
109.06576	1.0
113.02455	1.4
121.02972	0.4
123.04529	100.0
124.04864	2.5
127.07658	66.6
128.08006	1.8
129.05586	23.1
130.05952	0.4
138.03244	0.8
143.07141	0.7
149.02441	0.8
153.05579	43.7
154.05896	1.7
159.03017	0.7
161.04552	8.9
171.06630	17.3
172.06870	0.6
189.07686	1.9
195.83055	0.3
207.06531	0.4
232.30865	0.3
285.09790	13.5
286.10165	0.8
457.17188	5.7
458.17569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.7
59.01357	1.5
62.58715	0.7
70.24379	2.5
70.24761	1.6
71.01375	3.1
77.03944	1.4
84.55563	0.9
85.02923	2.3
95.04996	2.6
99.08159	70.4
99.31584	1.2
100.08453	2.4
101.02436	2.4
105.03433	2.6
113.02487	2.0
113.81509	0.9
123.04523	100.0
123.52696	0.9
124.04822	3.8
127.07655	70.2
128.07954	3.0
129.05585	51.0
130.00432	0.8
138.03175	2.0
153.05574	40.3
154.05881	1.9
161.04543	7.3
171.06625	14.1
179.99907	0.8
189.07597	3.4
218.48283	1.0
280.07770	0.9
285.09738	11.9
457.17197	10.8
457.23248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34116	0.8
57.03448	12.7
59.01361	1.7
70.34907	3.3
71.01364	2.9
71.10788	0.7
71.31003	0.8
77.03972	1.1
85.02912	1.3
90.17570	0.9
95.05010	1.8
96.98283	0.8
98.19891	1.0
99.08152	60.3
100.08496	2.2
101.02432	1.1
105.03429	2.4
109.06544	1.0
113.02370	0.9
114.72655	1.0
115.26947	0.8
123.04518	100.0
123.56458	0.8
124.04837	3.6
127.07646	59.5
128.07971	2.8
129.05569	22.0
138.03178	0.8
149.02412	1.2
153.05560	45.7
154.05859	1.8
161.04552	9.3
171.06602	18.4
172.06935	1.5
189.07637	2.5
201.86000	0.8
285.09769	15.1
286.10062	1.2
375.24597	0.9
457.16867	6.1
458.18018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.1
59.01367	3.2
69.16290	1.0
71.01384	3.6
71.05235	1.4
73.02937	1.6
76.12971	1.1
83.05020	1.0
85.02962	1.5
95.05003	2.1
99.08154	73.4
100.08501	2.6
101.02431	2.7
105.03446	1.8
109.06571	1.0
110.84754	0.9
113.02457	2.2
123.04523	100.0
124.04876	2.9
127.07648	81.9
128.07979	2.7
129.05577	82.2
130.05898	1.9
136.47437	1.0
138.03273	1.0
148.43800	1.1
153.05571	43.5
154.05887	1.7
159.09605	1.0
161.04570	7.9
171.06619	18.4
189.07686	4.3
285.09808	14.3
366.40277	1.1
457.17102	18.7
458.17432	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	457.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.3
59.01361	3.5
63.54393	1.3
71.01368	2.7
71.50957	1.5
85.02948	2.0
87.77705	1.4
99.08150	66.6
100.08482	1.6
101.02472	1.6
106.04232	3.8
108.02163	2.4
123.04513	100.0
123.59922	1.5
124.04845	5.5
127.07645	68.8
128.07985	4.5
129.05563	33.8
138.03224	2.4
138.84325	1.5
153.05559	46.7
161.04544	7.6
171.06601	15.0
189.07578	2.1
285.09778	10.8
299.15335	1.7
395.25674	4.2
395.47430	1.5
413.26740	4.8
457.17273	7.5
457.29144	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	457.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40989	1.8
58.00609	2.2
59.01375	23.8
61.47939	1.6
69.19268	17.1
71.01379	15.5
72.92603	1.6
85.02933	2.5
87.00868	2.9
89.02440	25.1
89.73531	1.6
99.08160	8.6
101.02421	6.5
108.04572	2.5
110.91929	1.5
113.02444	4.8
119.03490	6.0
123.04529	14.0
127.07632	9.0
129.05562	7.2
136.01698	2.0
137.02432	1.9
146.34299	1.8
153.05521	4.6
161.04607	2.0
171.06580	4.2
179.05609	9.1
180.02911	2.1
197.28529	1.6
221.11171	1.8
277.21707	100.0
278.22064	8.6
321.31516	3.3
352.07263	1.8
359.22104	2.2
383.31708	2.2
390.71594	1.8
457.32410	4.7
457.37204	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3683
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
53.79406	0.3
67.89558	0.2
71.04957	0.6
71.05312	0.4
81.03455	0.3
83.05029	2.1
83.37181	0.3
95.83290	0.3
114.21300	0.3
123.04523	1.0
127.07648	0.3
129.05540	0.5
142.53090	0.3
153.05585	0.4
228.94196	0.3
255.23322	0.5
380.08423	0.3
457.36819	100.0
458.37161	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	459.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48751	3.8
57.03455	25.4
59.01383	37.9
67.01891	11.8
68.99805	4.1
71.01383	100.0
71.48684	4.8
72.99274	6.2
73.02940	14.1
75.00881	6.1
83.01389	24.6
85.02959	27.9
87.00887	7.4
89.02440	13.0
93.03430	4.6
94.03987	4.2
99.00891	24.0
101.02407	7.8
111.00900	62.5
112.01228	4.9
112.98832	8.6
113.02464	9.0
115.00365	14.1
116.92840	19.4
119.05011	4.4
121.02966	16.7
123.04523	50.3
129.01939	55.6
131.08255	5.1
135.04544	5.8
142.99805	6.9
173.00888	8.6
175.02505	5.2
175.70276	4.4
179.05606	5.4
187.55344	4.2
207.06581	6.2
208.66649	4.1
215.82240	4.0
218.18080	3.9
269.82773	4.5
279.01807	4.3
303.25577	4.2
356.78052	4.2
358.72931	4.6
406.80038	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
57.05763	0.3
59.01374	2.0
61.98823	1.0
67.01880	4.5
69.66908	0.3
70.90648	0.6
71.01377	1.3
75.00881	0.3
83.68892	0.3
85.02950	5.8
87.00873	18.9
88.01218	0.5
89.02458	0.6
101.02460	0.7
105.01872	0.3
111.00876	100.0
112.01211	3.4
115.00430	0.5
116.07167	0.4
116.92857	0.9
128.36537	0.3
129.01924	5.0
130.99867	0.6
135.04500	1.2
149.06117	0.3
154.99840	0.4
161.04620	0.6
173.00900	9.8
174.01350	0.4
179.03497	0.8
180.03780	0.3
207.06599	0.6
297.10095	0.3
297.13345	0.4
397.11548	0.8
416.21756	0.6
459.11279	7.2
460.11868	0.8
460.24438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68520	1.1
59.01383	7.4
61.76147	1.0
69.25974	2.7
69.26385	7.7
71.01384	6.3
72.00909	1.6
73.02948	47.8
87.00883	1.8
88.04031	1.3
89.02461	6.4
98.19849	2.1
99.00884	6.8
101.02455	2.4
111.00896	8.6
112.78719	1.0
115.00436	1.5
116.92844	4.5
117.01948	100.0
118.02278	1.9
118.05105	5.0
119.03524	2.2
123.04493	1.1
124.19461	1.1
129.01889	1.7
130.50940	1.2
133.05090	7.0
141.43025	1.3
143.76106	1.3
152.45198	1.3
163.06192	1.4
179.05522	1.5
224.69138	1.3
314.43854	1.1
341.10858	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.01681	3.8
61.10315	4.4
61.98819	13.5
71.50652	5.4
74.25571	4.6
104.49721	4.3
121.02953	9.7
152.99573	8.1
154.21997	4.5
162.51299	4.8
205.12326	26.8
214.70883	4.8
241.08614	4.7
372.09915	7.2
387.12265	9.2
400.12756	6.4
401.13837	21.5
440.02884	6.5
444.15695	16.4
459.18027	92.1
459.28925	4.8
460.18338	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	459.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54193	3.8
59.01379	100.0
61.98831	9.6
69.24150	5.0
70.13731	4.9
70.91339	10.4
70.91668	5.3
82.61540	4.1
88.07044	4.7
93.03440	12.5
97.12756	4.0
102.87319	3.9
121.03011	4.5
152.99551	6.7
161.13336	6.3
189.09076	5.6
205.12256	41.4
209.00711	4.7
233.15512	4.6
309.13229	5.5
310.44769	4.7
347.12704	7.5
459.27692	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	459.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98804	17.8
69.35349	89.1
82.20509	9.9
87.50596	11.8
120.57800	11.7
120.69978	11.8
123.04592	16.7
124.04890	21.5
127.07679	18.6
140.11606	13.6
205.12230	26.8
223.13533	15.4
253.30415	13.2
329.90256	13.1
340.49323	11.3
454.16824	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08430	0.2
57.03435	0.7
58.00586	0.3
58.19000	0.2
59.01377	9.7
61.98821	0.4
62.45071	0.2
69.03458	2.1
71.01376	4.2
71.05004	0.7
71.50384	0.3
73.02943	1.1
83.01392	0.5
83.05031	0.4
83.43185	0.2
85.02936	1.1
85.06593	0.7
87.00871	0.5
89.02444	4.2
91.04014	0.2
93.03460	0.4
95.01342	0.3
95.05008	0.5
99.00924	0.3
99.08105	0.2
101.02445	5.0
106.06470	0.2
109.06604	0.7
113.02460	2.3
119.03488	1.1
123.04520	0.5
125.09750	0.4
127.07648	0.3
129.72754	0.2
143.03548	0.4
149.09712	0.7
157.08945	0.3
161.04527	1.4
161.13333	0.5
167.10765	2.6
177.12888	0.7
179.05609	0.3
179.10776	1.3
179.14403	3.0
195.13884	10.6
196.14221	0.5
205.12317	11.1
206.12672	0.7
223.13376	100.0
224.13710	6.8
235.08224	0.8
253.09276	18.1
254.09613	0.9
257.08069	0.2
258.08554	0.3
275.55914	0.2
459.22229	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01377	100.0
60.01711	0.9
61.98828	0.8
63.02406	0.2
70.24174	0.2
71.01379	2.6
73.02950	0.6
74.38926	0.2
83.01427	0.3
85.02948	0.5
89.02440	2.7
93.03535	0.3
95.01408	0.3
99.08173	0.6
101.02449	1.7
113.02413	1.1
119.03505	1.7
123.04530	1.6
124.04803	0.5
127.07662	1.0
128.07928	0.2
129.05597	0.6
143.03410	0.4
153.05582	0.5
161.04567	0.5
171.06653	0.2
179.05597	1.0
208.65489	0.2
240.04337	0.8
255.06648	0.4
262.54865	0.2
326.09790	0.4
355.21259	0.9
357.19308	0.3
373.55508	0.2
399.20135	2.1
400.20688	0.3
415.23328	0.8
417.21222	1.5
459.15933	0.4
459.22330	8.0
460.22678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42987	0.3
55.01877	0.5
55.81384	0.3
57.03445	0.9
59.01376	100.0
59.68276	0.4
60.01709	1.3
60.10680	0.3
61.98823	0.5
64.90624	0.3
71.01382	8.2
73.02935	2.3
79.83281	0.3
83.01397	1.2
85.02936	3.6
87.00874	0.3
87.04505	1.1
89.02441	2.5
95.01382	0.6
98.20773	0.7
98.94450	0.3
99.00896	1.1
99.08157	0.6
101.02433	3.8
113.02442	7.2
113.03164	0.5
119.03541	0.5
122.03752	2.3
123.04527	0.8
146.09471	0.3
147.04538	1.8
153.05513	0.7
161.04547	2.6
191.03462	1.5
255.19763	0.5
297.07895	0.7
337.47006	0.3
359.35764	0.4
399.23840	5.3
400.24338	0.9
417.25305	2.3
459.22299	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	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
57.04540	0.4
59.01377	100.0
60.01704	0.8
61.98830	2.7
69.16322	4.3
71.01381	13.0
72.99292	0.4
73.02954	4.2
83.01414	1.7
85.02938	4.5
87.00875	0.5
89.02447	7.5
95.01413	1.7
99.00882	0.9
99.08160	1.2
101.02438	7.2
113.02449	10.4
119.03540	2.6
122.03777	0.5
123.04571	1.6
124.04884	0.6
127.07637	1.0
128.07997	0.5
129.05551	1.0
139.70940	0.4
149.04601	0.5
153.05605	1.0
161.04582	2.5
174.01804	0.7
179.05602	0.9
195.04649	0.5
215.97960	0.5
222.18921	0.5
223.04015	0.5
238.06482	0.8
253.08852	0.9
399.23911	3.8
400.24454	0.7
417.25122	3.3
459.22391	1.1
479.82370	0.4
484.77655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29439	0.3
52.24750	0.3
59.01375	100.0
60.01712	1.0
61.98835	0.3
66.40640	0.3
69.92722	1.3
71.01382	5.8
73.02934	1.6
83.01375	1.2
85.02932	2.9
87.00890	0.4
87.04518	0.6
89.02453	2.0
95.01387	0.8
98.20051	0.4
99.00896	0.5
99.08173	0.4
101.02434	4.7
101.06110	1.0
103.78172	0.3
111.00919	0.5
113.02454	2.6
119.03527	0.9
123.04542	0.4
125.02463	0.6
143.03465	0.5
161.04527	1.8
179.05582	0.6
194.99411	0.3
300.68402	0.3
306.16660	0.3
325.20218	0.3
342.46036	0.3
368.22672	0.3
381.22717	0.4
399.23981	1.5
417.24893	2.5
418.25882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29439	0.3
52.24750	0.3
59.01375	100.0
60.01712	1.0
61.98835	0.3
66.40640	0.3
69.92722	1.3
71.01382	5.8
73.02934	1.6
83.01375	1.2
85.02932	2.9
87.00890	0.4
87.04518	0.6
89.02453	2.0
95.01387	0.8
98.20051	0.4
99.00896	0.5
99.08173	0.4
101.02434	4.7
101.06110	1.0
103.78172	0.3
111.00919	0.5
113.02454	2.6
119.03527	0.9
123.04542	0.4
125.02463	0.6
143.03465	0.5
161.04527	1.8
179.05582	0.6
194.99411	0.3
300.68402	0.3
306.16660	0.3
325.20218	0.3
342.46036	0.3
368.22672	0.3
381.22717	0.4
399.23981	1.5
417.24893	2.5
418.25882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	18.5
60.19615	3.4
61.98847	3.6
62.23232	3.8
69.37311	12.8
69.37728	19.5
71.01371	10.7
78.37007	4.2
89.02438	15.0
161.04532	8.5
176.02875	3.4
179.05598	11.9
279.20428	7.8
279.23300	100.0
280.23605	8.4
298.92645	3.9
459.34644	66.1
460.35028	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	461.0725
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
52.23053	1.0
59.01378	15.0
61.98820	2.5
67.84985	1.2
71.01371	4.5
72.99288	1.8
83.01357	1.1
84.20415	1.1
89.02411	1.9
90.98601	5.7
101.02391	1.5
108.02173	1.2
109.02931	3.0
115.00350	7.6
117.03475	1.1
119.04992	2.5
133.01424	13.9
133.02921	1.0
134.03699	3.4
143.05005	1.0
145.02928	2.2
151.00322	4.7
152.01137	1.7
153.01884	1.6
158.03691	3.5
159.04552	1.3
161.02412	2.5
161.04709	1.1
163.03979	2.5
171.04437	1.2
172.01727	1.2
178.99792	2.5
185.02480	1.2
186.03253	7.1
187.03699	1.0
189.01880	2.6
193.05034	7.6
193.72643	1.1
197.09636	5.6
198.03181	2.5
199.03941	2.9
207.10306	1.6
213.12743	1.3
214.02635	11.1
215.03294	3.2
216.00543	1.6
217.01266	1.8
218.02104	1.3
227.03493	2.1
241.01407	72.1
242.02153	30.2
242.05835	3.0
243.02892	6.2
245.00882	31.1
245.03398	1.5
246.01173	2.1
257.08130	3.1
257.11765	1.4
270.01663	79.5
271.02411	45.4
272.02689	3.2
273.00333	1.8
282.01453	2.8
283.02325	2.1
285.03873	1.3
298.01135	29.1
299.01913	59.9
299.09155	3.4
300.02234	4.7
301.10742	9.2
311.01929	1.1
313.03534	1.6
315.07059	1.3
345.09772	1.4
347.00806	1.0
433.07840	6.7
461.07144	100.0
462.07608	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	461.0722
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
52.29201	0.8
54.45137	0.7
59.01362	1.6
62.77113	0.6
63.22736	0.7
65.00318	1.1
71.01389	1.0
88.98498	0.7
92.23515	0.9
93.23546	0.9
107.01391	1.1
115.00386	1.8
116.23826	0.8
127.42954	0.8
131.54620	0.8
133.01424	2.3
133.02850	0.8
143.05023	1.2
151.00391	3.5
158.03700	3.5
161.02422	2.7
171.04417	1.0
172.01587	0.9
172.91446	0.7
175.03899	1.3
178.99837	1.4
186.03204	6.0
189.01909	1.8
197.09653	1.5
198.03197	1.3
199.03970	2.7
201.01895	0.9
203.03503	0.9
213.01898	1.2
214.02702	9.8
215.03323	1.1
216.00624	2.3
217.01472	1.3
227.03433	2.0
241.01396	59.4
242.02133	28.0
242.04665	1.1
243.02853	5.8
245.00885	23.6
246.01169	0.9
255.02905	1.0
270.01660	59.3
271.02432	36.9
271.05447	1.3
272.02811	1.8
273.00281	1.7
274.01242	1.1
282.01727	1.8
283.02386	1.4
298.01157	25.1
299.01929	50.3
300.02231	3.0
301.10840	2.2
322.20538	0.8
341.03015	1.0
433.07840	5.8
461.07211	100.0
462.07565	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	461.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39124	1.0
55.49099	0.9
59.01379	48.7
59.06514	1.0
60.83588	0.9
64.58056	1.0
69.55008	1.9
69.55414	4.9
71.01380	25.2
72.99302	3.9
87.00860	1.3
87.56370	1.2
89.02444	1.9
93.03468	3.3
103.07948	1.1
104.28306	1.0
106.59357	1.0
115.00370	56.7
119.05011	2.6
130.60870	1.0
133.01428	100.0
134.01736	2.3
134.03706	9.0
137.14198	1.0
149.06070	4.5
160.42918	1.0
169.06577	2.3
174.30334	0.9
178.71732	1.0
182.07285	5.9
183.08022	1.6
193.05067	12.8
195.08110	1.1
197.09720	42.9
198.10109	3.4
211.11226	6.2
213.12875	9.2
214.13196	1.5
227.10870	2.2
241.01414	3.4
242.02098	2.2
245.00894	1.5
245.11778	4.2
256.44336	1.0
257.11835	11.3
270.01666	4.2
271.02512	2.9
287.55301	1.0
298.01154	1.5
299.02029	1.8
301.10794	75.2
302.11093	7.4
305.23071	1.1
345.09799	14.9
461.06897	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	53.8
60.02000	1.4
61.98814	3.3
65.25413	1.1
71.01379	26.3
72.99294	4.0
73.02940	4.1
85.74408	1.2
87.00862	1.5
89.02435	4.3
91.32013	1.0
93.03447	2.8
101.02419	2.1
113.02438	2.0
115.00365	55.8
119.04998	3.5
130.08694	1.6
133.01425	100.0
134.01744	1.6
134.03719	9.2
143.07115	11.5
149.06050	4.7
158.03743	1.6
163.04027	1.5
172.09753	1.9
178.99841	1.4
182.07498	5.7
183.08006	1.4
185.09660	1.5
186.03191	3.3
193.05055	15.6
195.08046	1.7
195.16425	1.2
197.09692	39.1
198.09937	1.3
199.03929	1.8
211.11253	4.2
213.12782	6.1
214.02669	5.4
216.71083	1.4
225.11296	4.2
227.03477	1.7
227.10728	2.2
241.01407	32.2
241.08662	9.2
242.02124	13.7
243.02783	2.8
245.00893	14.5
245.11720	2.6
253.09375	1.7
257.11829	21.0
258.12030	2.1
270.01660	34.9
271.02429	24.9
283.02225	1.4
298.01147	15.7
299.01947	29.8
299.09131	2.4
300.02432	2.3
301.10785	52.5
302.11078	4.7
335.13461	2.1
345.09723	21.4
346.10156	2.6
377.18454	1.2
389.18298	1.8
419.19220	3.8
433.07971	2.7
461.07156	56.2
461.19299	5.5
462.07370	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88012	0.9
59.01374	45.9
61.98825	1.4
68.39748	0.9
69.15301	6.1
69.15726	4.4
71.01378	27.0
72.99306	4.6
75.00879	1.4
83.01395	1.2
87.00852	1.4
89.02451	3.3
93.03455	4.3
98.19964	2.7
101.02412	1.8
110.31734	1.4
113.02437	1.2
115.00361	65.2
116.00708	1.4
117.03457	1.1
119.05009	4.6
122.06070	1.2
125.53899	0.9
133.01416	100.0
134.01743	1.7
134.03772	1.7
148.04013	4.5
149.04373	1.6
149.06058	4.3
169.06540	2.9
175.02434	1.6
182.07306	5.1
193.04999	2.6
193.06619	1.1
195.08125	1.6
197.09689	37.7
198.10114	4.5
204.98238	1.0
211.11211	5.3
213.12842	9.0
225.11185	1.9
227.10739	1.7
239.10797	1.3
241.08685	16.1
241.66533	1.1
245.11775	1.9
255.08487	1.4
257.11774	22.8
258.12018	2.4
264.01813	1.0
283.10022	1.2
285.03970	1.3
301.10782	57.0
302.11130	5.0
304.73447	1.2
345.09747	20.4
346.09982	2.7
376.33102	1.1
417.13208	1.0
461.20593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21770	0.3
59.01377	4.1
61.07664	0.4
69.94760	1.2
69.95172	0.6
71.01378	2.8
82.32925	0.3
88.28791	0.3
89.02460	0.4
89.03970	1.2
93.03483	0.5
94.59475	0.3
105.03455	1.1
115.00362	6.6
117.03446	5.6
119.05033	1.4
132.02240	0.5
133.01428	9.6
133.02936	5.4
134.03731	68.7
135.04044	3.1
136.01689	0.6
137.02458	0.5
147.04506	1.1
149.06102	4.8
160.01666	1.2
163.04005	0.5
177.01886	0.7
178.02669	0.6
182.07349	0.5
183.93716	0.4
186.03265	0.5
193.05034	100.0
194.05356	5.8
197.09703	4.0
198.10036	0.4
213.12808	0.7
214.02757	0.6
241.01421	5.1
241.08675	1.3
242.02081	2.1
243.02921	0.4
245.00951	1.9
257.11777	2.5
270.01666	4.6
271.02344	3.3
298.01196	2.0
299.01950	4.1
301.10791	4.5
345.09625	1.9
348.88174	0.3
355.10162	0.5
461.07196	6.1
461.14438	1.2
462.07721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1453
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
57.03448	0.7
59.01377	33.4
61.98820	3.2
63.39264	0.8
70.45272	0.6
71.01376	7.0
72.99285	0.8
73.02940	1.6
81.67073	0.7
83.01363	1.0
85.02932	2.5
87.00832	0.7
89.02419	3.0
89.03933	0.9
93.03481	1.0
95.01357	0.9
95.05016	0.6
97.02913	1.1
101.02436	3.4
106.06644	0.8
107.05007	1.4
109.06532	0.8
113.02425	2.1
115.00352	2.6
117.03490	1.3
119.05021	25.4
119.63577	0.6
120.05333	1.2
123.04540	0.6
125.02413	0.7
130.60359	0.7
131.70184	0.6
132.02229	0.6
133.01430	3.7
133.02933	4.9
134.03737	20.2
134.45799	0.6
135.04523	70.8
136.04822	3.3
137.02419	1.7
139.04028	0.7
147.04463	0.9
149.06046	1.1
150.05641	0.8
151.00334	1.3
161.02435	5.6
161.04541	0.7
163.04002	38.3
164.04355	2.0
175.02463	1.1
179.03490	75.7
180.03790	3.6
193.03360	1.4
193.05048	23.6
194.05333	1.3
197.09767	1.2
207.10216	1.8
214.02774	1.7
225.11314	7.3
227.03459	0.7
241.01431	7.0
241.05098	1.2
242.02104	2.4
242.05798	1.8
243.02988	1.4
245.00874	4.1
253.01271	0.9
253.09222	1.2
255.02930	0.7
255.06618	1.6
257.08194	2.8
257.11713	1.1
257.17624	1.2
270.01688	8.1
271.02432	5.9
298.01230	4.6
299.02216	7.9
299.09216	100.0
300.02328	0.9
300.09567	8.9
301.10739	2.2
333.09821	1.7
401.21552	1.2
419.22873	1.4
433.07462	0.9
461.07281	11.5
461.14459	24.9
461.23953	10.9
462.07629	1.9
462.14716	2.8
462.24426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95702	0.2
57.28007	0.2
59.01371	2.1
59.02783	0.2
61.98820	0.4
71.01392	0.7
84.61475	0.2
89.03957	0.9
95.07195	0.3
98.19851	0.4
105.03457	0.7
115.00376	0.7
117.03458	4.8
117.04285	0.3
119.05027	1.5
129.86685	0.2
132.02213	0.6
133.01479	1.1
133.02951	4.3
134.03735	71.1
135.04074	3.1
136.01628	0.3
137.02446	0.3
137.90396	0.2
147.04533	0.5
149.06079	4.6
160.01617	0.7
163.04012	1.4
175.03940	0.5
177.01842	0.6
178.02664	0.7
193.05043	100.0
194.05385	5.1
197.09763	0.4
225.05489	0.4
225.11409	0.3
240.07860	0.6
241.01494	0.6
255.10352	0.6
270.01736	0.5
271.02432	0.3
298.00967	0.3
299.01941	0.5
299.09305	0.8
301.10858	0.7
355.10226	0.7
461.07538	0.5
461.14407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77932	0.4
55.11429	0.3
59.01377	32.5
61.98818	0.4
63.23959	0.4
67.67863	0.3
69.23013	2.1
69.23443	1.5
71.01376	8.7
73.02958	0.5
85.02955	1.0
87.00877	5.3
87.04515	0.9
89.02440	3.9
101.02442	1.6
113.02501	0.9
115.00334	0.5
119.03476	0.4
121.14002	0.4
123.04493	2.2
133.05066	100.0
134.05424	2.4
137.02530	0.4
153.09192	1.1
158.54239	0.4
161.04518	0.9
179.05557	0.4
183.06592	0.5
195.35875	0.3
200.73085	0.4
202.23294	0.4
221.11859	0.9
239.12866	0.7
271.02509	1.4
290.51532	0.5
292.87387	0.4
295.10532	0.5
299.02014	1.2
300.02551	0.7
365.70276	0.4
389.13553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.7
60.73784	0.4
66.59196	0.5
69.41978	4.1
71.01379	7.7
87.00874	5.8
89.02442	2.3
113.02405	0.6
133.05063	100.0
134.05411	3.1
138.55289	0.5
150.24692	0.5
167.08321	0.5
179.05687	0.6
218.24208	0.5
242.02269	0.5
243.02875	0.5
255.02972	0.8
270.01697	0.7
271.02393	3.4
273.41168	0.5
299.01926	6.7
299.97311	0.5
316.68127	0.6
461.07285	1.5
462.07962	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.5
61.98821	3.9
71.01376	5.5
71.50839	2.0
72.99303	1.1
73.02907	1.1
78.95882	2.2
81.03460	2.8
83.05037	2.7
85.02938	2.4
89.02457	5.0
97.02951	8.9
99.00875	1.6
101.02437	6.4
107.05037	1.3
109.06584	34.4
109.43018	0.9
110.03748	1.2
111.04552	1.3
113.02427	2.3
119.03461	2.1
121.06591	2.1
123.04557	1.2
123.08159	1.2
134.18486	1.1
135.08163	3.9
136.05254	1.9
142.02689	3.3
142.62715	1.0
146.03752	1.7
152.99547	3.1
161.04536	2.1
161.09723	1.7
163.11284	19.3
179.10693	1.3
181.12289	5.6
189.09308	1.8
192.34544	1.1
207.10245	100.0
208.10585	5.9
214.02580	1.8
225.11308	63.1
226.11594	3.5
241.01375	7.1
242.02229	1.3
245.00876	2.0
253.09288	17.4
270.01675	6.8
271.02402	3.8
298.01001	2.6
299.02045	5.6
299.15106	1.9
335.04807	1.0
422.83453	1.4
429.22787	3.0
433.07166	1.3
445.21951	1.1
461.06995	8.8
461.20206	62.5
461.25543	3.8
462.20801	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	461.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84862	1.3
52.66572	1.4
59.01384	8.7
61.98814	4.6
69.52506	9.9
71.01389	5.4
78.95911	3.3
83.05003	1.5
85.89757	1.8
95.38594	1.4
97.02931	3.0
97.06561	2.7
101.02441	2.2
109.06564	5.4
111.04506	4.1
127.07632	6.8
146.03729	36.5
147.04471	1.9
152.99562	5.4
159.04518	29.6
160.05299	38.0
161.06021	6.0
162.08228	1.6
163.11269	4.0
171.04544	1.8
172.05302	10.1
173.06116	16.9
174.03194	1.7
174.06798	2.7
175.07619	3.1
186.06847	7.5
187.04044	5.2
187.07617	4.5
188.04752	4.5
188.08463	1.9
190.75761	1.7
199.04013	4.7
199.07593	3.6
204.04442	1.9
207.10266	23.6
213.05560	2.2
214.06369	3.7
216.04272	3.8
216.57275	1.7
217.05045	14.4
217.12154	1.6
218.05743	2.1
225.11324	16.2
226.11742	1.7
227.07068	2.2
239.07278	1.8
241.01558	8.6
242.02158	2.6
245.00853	4.4
246.05310	1.8
253.09225	4.9
257.15512	2.6
259.13190	2.7
269.11774	5.3
270.01782	8.0
271.02460	7.0
271.11179	1.2
271.13382	35.5
272.13599	3.2
283.13419	37.3
284.13681	4.1
285.11319	7.1
285.14932	27.8
286.12076	3.9
286.15140	2.2
287.12796	4.7
288.13577	4.9
289.14407	39.1
290.14874	3.9
295.13385	5.0
297.15015	4.1
298.01263	3.9
299.01947	8.2
301.14426	53.2
302.14835	6.2
303.16019	10.9
313.14417	5.0
331.15466	5.9
345.13300	3.9
360.16129	2.6
393.20731	26.7
394.21042	5.1
411.21692	49.7
412.22101	7.3
429.22797	100.0
430.23166	15.1
461.07294	12.0
461.20169	12.7
461.25565	4.8
462.21155	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	461.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31932	0.4
59.01371	2.1
61.98823	0.6
71.50661	0.7
73.04398	0.5
78.95905	5.4
80.37883	0.6
81.28360	0.6
93.65467	0.5
96.95980	1.0
125.00112	3.0
152.99561	0.7
181.02702	1.0
199.03772	3.1
207.10208	2.2
225.11288	1.1
241.01390	2.1
245.01013	0.6
270.01617	1.3
271.02448	0.9
279.23260	100.0
280.23621	9.1
287.81140	0.6
298.01126	0.7
299.01965	1.7
461.07080	2.7
461.20291	0.8
461.26639	3.9
461.32938	1.8
462.26849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23934	0.2
59.01372	2.7
61.06550	0.2
61.98822	0.5
71.01377	0.7
71.50900	0.4
73.02943	0.5
75.00817	0.3
77.33755	0.2
80.05045	0.3
83.79135	0.2
85.02951	0.3
89.02425	0.4
101.02496	0.5
104.05047	0.3
106.06620	94.5
107.06290	0.4
107.06939	3.0
113.02463	0.3
119.03474	0.4
123.04534	0.4
127.07634	0.4
129.05623	0.3
135.04146	0.3
150.05595	100.0
151.00375	0.9
151.05954	4.0
153.05693	0.3
175.02522	0.3
178.99875	0.4
192.06839	0.3
193.04999	0.4
194.04567	21.0
195.04895	1.1
197.05653	0.4
218.13255	0.3
224.04732	0.4
225.05132	0.6
227.03552	0.3
234.16733	0.3
234.18982	0.3
239.07083	0.4
240.07529	0.7
242.01768	0.3
242.05795	1.3
243.02859	0.6
243.06215	1.6
253.05074	0.3
255.02966	1.1
257.08194	0.3
258.08533	0.8
271.02466	3.4
272.02710	0.5
299.01807	0.8
300.02695	4.9
300.10013	0.4
301.03455	2.4
301.10904	0.6
333.10150	0.4
462.07864	1.0
462.14084	14.5
462.24295	0.5
463.08728	3.5
463.14725	2.2
463.25330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58306	0.3
58.19681	0.3
59.01398	1.7
61.98828	0.7
69.91149	1.6
71.01416	0.5
73.02932	0.5
80.05064	0.3
102.29591	0.3
104.05110	0.3
106.06625	95.2
107.06956	3.0
135.39912	0.3
150.05605	100.0
151.05951	4.7
159.50446	0.3
194.04572	19.0
195.04970	1.2
244.07379	0.3
271.02405	1.2
284.70786	0.3
300.02795	1.8
301.03619	0.8
340.52457	0.3
462.08115	0.5
462.14035	11.9
462.23682	0.5
463.08588	0.8
463.14215	1.5
463.25412	0.9
473.30264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45583	0.7
59.01381	8.4
59.33083	0.6
62.42068	0.6
66.57880	0.6
69.79984	3.6
71.01385	11.4
72.99319	1.1
73.02973	0.6
85.02956	1.3
87.00880	14.6
109.02957	0.6
113.02428	1.1
115.00381	36.9
116.00731	0.8
127.00387	1.0
147.04568	0.7
175.02493	100.0
176.01477	0.7
176.02872	2.3
191.81799	0.6
196.08737	0.6
241.84113	0.7
248.47961	0.6
276.28683	0.7
279.80783	0.7
284.37924	0.7
328.63953	0.6
358.25595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42821	0.7
59.01382	4.3
61.98829	100.0
66.01929	0.6
69.19779	4.9
71.01382	0.8
78.95892	0.6
82.86653	0.5
102.97128	0.5
148.78325	0.5
151.00345	0.6
203.67186	0.6
215.77347	0.7
231.30151	0.6
255.02858	1.1
271.02347	1.6
295.11743	0.6
299.01871	0.9
300.02777	2.3
301.03558	0.8
462.07706	1.1
462.28207	0.7
463.08841	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93410	0.9
59.01372	1.1
61.10223	0.8
61.98826	100.0
85.77350	0.9
94.31702	0.9
96.95988	0.9
98.20657	2.4
110.84955	1.0
166.25204	0.8
210.83011	0.9
234.12428	0.9
271.02298	1.6
300.02686	3.4
301.03387	1.6
343.97659	1.0
463.08679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02411	0.8
65.00319	0.9
68.78757	0.5
69.14026	4.6
69.14428	1.8
83.01387	0.8
107.01381	3.0
108.02161	2.2
109.02949	1.8
121.02948	2.3
135.00925	1.6
148.01657	1.8
150.99214	0.8
151.00368	11.9
163.00342	2.7
164.01172	0.8
171.48518	0.5
178.99854	6.7
183.04486	0.8
198.02983	0.6
199.04056	0.8
201.05515	0.7
211.03992	1.4
215.03368	0.9
222.28368	0.5
226.02676	2.1
227.03516	4.6
228.03969	0.7
243.02989	15.2
244.03413	1.2
245.04480	1.7
254.02284	2.5
255.02982	30.2
256.03271	2.6
266.32028	0.6
271.02472	70.9
272.02850	7.2
273.03934	1.2
281.38971	0.6
283.02353	1.2
299.01938	2.1
300.02734	100.0
301.03482	56.2
302.04007	2.7
343.04456	0.6
463.08823	71.3
464.09174	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	463.0881
Annotation	8-Hydroxyluteolin 8-glucoside
Peak:m/z	Relative Intensity
58.16466	0.3
59.01379	15.5
61.98829	2.0
63.02404	0.4
65.00322	0.9
71.01375	1.8
71.06916	0.3
73.02937	0.7
73.21215	0.3
83.01392	1.6
85.02982	0.8
95.01358	0.4
98.20760	0.8
101.02442	1.3
107.01382	3.0
108.02192	1.2
109.02924	1.6
110.63647	0.3
113.02428	0.6
114.59227	0.4
119.01417	0.5
121.02972	1.6
122.03709	0.6
125.02454	0.6
135.00896	1.2
137.02420	3.8
137.06041	0.6
148.01666	1.3
149.02446	0.6
151.00359	8.8
152.00827	0.4
161.04561	0.5
163.00365	3.2
164.01161	0.5
174.03186	0.4
175.03964	0.5
178.99866	4.9
187.04005	0.6
190.99916	0.6
193.05077	0.4
198.03229	0.9
199.03960	1.3
201.02002	0.5
201.05634	0.6
202.28839	0.4
211.03978	1.1
215.03407	0.8
216.04294	1.0
226.02704	6.4
227.03476	4.7
228.04059	0.4
229.05116	0.7
243.02963	20.0
244.03429	1.5
244.07372	5.1
245.04503	1.1
245.07581	0.5
246.04822	0.4
254.02170	5.7
255.02969	18.5
256.03387	1.3
259.09747	8.5
271.02457	89.1
272.02945	9.2
273.03946	0.7
283.02460	0.9
299.01974	0.8
300.02719	88.4
301.03433	41.0
301.10608	0.6
302.03891	2.9
343.04529	0.8
361.22131	0.6
421.24326	0.8
445.08298	0.4
445.24063	0.9
463.08786	100.0
463.25433	12.4
464.09100	12.2
464.25809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	SCHEMBL1155662
Peak:m/z	Relative Intensity
50.86102	0.5
59.01379	6.7
61.98824	1.5
63.02387	0.8
65.00310	1.5
66.54205	0.5
67.29864	0.5
69.27702	4.9
71.01379	2.4
73.02980	0.6
76.90668	0.5
79.41104	0.5
83.01380	1.0
84.23462	0.7
89.02458	0.8
94.14464	0.5
97.14591	0.6
98.20612	0.9
99.08121	0.9
101.02434	0.8
107.01381	3.6
108.02164	1.6
108.97861	0.5
109.02924	2.2
113.02438	1.6
119.05044	0.7
121.02968	2.8
125.02455	0.5
127.07652	1.0
129.05629	0.8
134.03737	3.6
135.00923	1.2
135.04054	1.7
136.04204	0.6
148.01698	2.0
150.99191	1.0
151.00360	13.1
153.05562	0.8
159.04527	0.6
163.00343	3.2
163.04033	1.0
164.01097	0.9
178.99866	5.5
183.13890	1.6
193.05032	3.0
194.05324	3.0
195.05621	1.9
199.04021	0.7
211.03917	0.9
215.03500	1.1
225.05623	0.7
226.02699	2.2
226.06213	1.3
227.03500	4.3
227.12784	0.7
228.03801	0.6
229.04871	0.9
241.08685	6.0
243.02966	13.2
244.03506	1.0
245.04543	2.3
254.02122	2.3
255.02971	27.8
256.03302	1.9
257.08121	1.6
259.09982	0.9
271.02463	64.3
272.02884	6.8
273.03992	1.0
283.02429	1.0
286.03656	0.8
286.25516	0.6
299.02155	1.2
300.02722	100.0
301.03448	52.6
301.06348	1.7
302.03833	3.4
327.73212	0.6
343.05014	0.6
375.18414	0.6
463.08795	75.8
463.25455	2.0
464.08887	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	463.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86024	0.5
59.01380	7.1
62.71027	0.6
67.32851	0.6
71.01385	5.8
71.49052	0.9
72.99314	9.0
73.02946	0.8
75.00883	1.2
77.93179	0.6
81.03473	0.6
83.01438	1.1
85.02970	2.0
87.00892	1.0
89.02460	1.9
93.03465	22.0
99.00893	1.2
100.94183	0.6
101.02448	2.2
103.00371	1.0
106.04203	0.9
107.05032	10.4
119.05029	22.9
120.05396	0.7
121.02943	1.1
133.06564	0.6
134.03745	2.2
135.04533	25.9
136.04832	0.9
149.06070	1.8
163.04025	37.9
164.04427	1.5
165.05585	25.0
166.05966	0.9
181.05083	100.0
182.05354	4.2
193.05078	5.2
195.06757	0.7
220.78319	0.6
223.06175	1.5
283.08215	20.3
284.08493	0.9
306.49112	0.7
327.10858	1.3
343.10324	14.1
343.14139	1.1
344.11002	1.1
355.10489	1.0
413.69711	0.7
445.13239	1.1
463.14569	90.8
464.14923	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	463.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43047	0.8
59.01379	7.9
69.42955	5.9
71.01370	3.3
75.00879	13.6
76.78497	0.9
87.00853	1.0
89.02444	1.7
98.20682	1.7
101.02440	1.1
145.07689	0.9
172.08788	2.0
198.06683	10.8
209.11807	16.1
214.09799	1.5
224.00494	0.9
227.12840	2.5
241.05157	3.5
241.07280	67.3
242.07803	18.6
243.08792	9.4
253.09322	2.3
256.07327	2.9
256.09723	2.6
257.10379	4.7
268.10614	1.0
269.52634	0.8
285.09888	9.4
299.11481	2.2
300.02621	1.9
301.03589	1.0
311.11401	2.7
353.12512	2.0
359.13632	1.4
376.13977	2.6
377.14548	6.5
401.14612	4.6
419.15698	100.0
420.16040	11.2
463.12784	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	463.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77259	0.5
59.01377	30.9
61.98829	6.0
64.51666	0.4
68.32450	0.4
69.14941	1.0
69.15349	3.5
71.01382	1.3
71.48756	0.5
77.57198	0.4
85.02927	1.0
87.56087	0.4
101.02426	1.1
111.14896	0.5
113.02467	0.6
119.24236	0.4
151.00385	0.6
167.03575	0.4
169.06589	0.5
178.99873	0.8
182.07310	1.3
197.05980	0.9
198.06824	4.6
209.05984	0.6
219.65544	0.4
225.05594	1.5
226.06340	53.4
227.03607	0.6
227.06689	3.0
241.08690	100.0
242.09050	8.3
243.02975	2.1
255.03078	2.5
256.03598	0.5
259.09747	0.8
271.02435	8.2
272.02908	1.4
286.35849	0.5
300.02719	9.9
301.03381	4.1
302.06711	1.7
341.26202	0.5
421.23965	0.6
445.23645	0.5
463.08783	9.3
463.14841	0.8
463.25500	7.9
464.11978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82409	2.6
58.10623	2.5
59.01392	16.4
61.98816	5.4
68.03441	3.1
68.96880	2.5
70.35966	7.6
71.01362	3.5
78.95905	21.1
96.96014	4.2
96.96984	4.0
107.01344	4.4
121.02930	3.4
125.02460	2.9
129.54436	2.4
134.44025	2.5
151.00366	18.8
152.98563	3.3
152.99600	38.4
153.05589	3.8
162.06834	2.8
163.00352	3.3
178.99831	10.0
189.07620	3.1
196.05298	2.9
209.11760	3.6
211.13214	3.2
226.06389	6.1
227.03432	3.7
239.07074	3.7
241.08681	3.1
243.03090	15.1
245.04594	3.2
254.02306	3.3
255.02933	24.4
271.02469	66.8
272.02893	4.8
273.04034	4.2
300.02728	100.0
300.06140	5.6
301.03464	66.0
302.04111	3.6
309.70276	2.7
405.11261	5.5
417.70914	3.4
448.13043	7.2
463.08835	73.0
463.15164	7.5
463.21268	6.9
464.08908	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82488	0.4
52.92898	0.4
59.01376	8.4
60.01709	0.5
61.98815	0.8
62.88974	0.3
65.13246	0.4
70.93119	0.3
71.01380	5.1
71.27356	0.9
72.99291	0.5
73.02959	0.6
80.02690	1.2
81.03438	0.9
83.01365	0.8
83.05028	3.9
84.02169	1.2
85.02946	1.2
87.61927	0.4
89.02439	2.7
91.50668	0.3
93.03461	0.6
95.05006	0.7
101.02442	3.4
107.01393	1.0
107.05083	0.7
108.02171	0.6
109.02936	0.6
113.02422	1.6
115.00365	2.0
117.00793	0.5
119.03531	1.0
119.05016	0.5
121.02946	1.4
125.06061	0.4
133.01418	3.0
134.01805	0.8
134.03740	4.1
135.00952	0.4
135.01888	1.3
135.04074	1.7
135.08160	0.5
136.04219	0.7
137.02449	0.6
143.03517	0.5
148.01697	0.6
151.00388	3.6
151.03963	0.7
161.04568	1.5
163.00346	0.6
163.11285	3.8
165.01927	0.4
165.12875	2.3
171.96519	0.5
176.03223	0.4
178.99870	2.2
179.05536	0.6
181.12326	0.7
191.10701	1.0
193.05025	4.0
194.05373	3.1
195.05476	2.4
196.06224	0.8
197.09680	1.1
198.10114	0.6
199.03973	0.6
199.10439	0.4
199.13368	0.4
209.11810	100.0
210.12160	6.6
226.02617	0.6
227.03461	0.8
227.12878	16.7
228.13268	1.0
235.08107	0.5
243.03001	3.7
245.04567	0.4
253.09264	13.8
254.02176	0.8
255.02986	8.0
256.03391	0.9
257.11871	0.4
259.09671	1.0
271.02463	17.6
272.02795	1.9
273.03928	0.5
300.02734	26.0
301.03448	15.2
301.10760	0.9
302.03818	0.9
303.11328	1.4
463.08719	19.2
464.09186	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	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71564	0.5
53.32081	0.5
59.01376	5.9
61.98820	0.8
65.00320	0.7
68.39670	0.5
69.47009	2.3
69.47427	1.5
71.01382	3.8
80.02699	0.8
81.03461	0.9
83.01379	1.2
83.05025	4.4
84.02165	0.6
85.02955	1.1
87.00908	0.6
89.02438	3.0
101.02435	3.1
107.01373	1.5
109.02894	0.6
113.02453	1.4
121.02935	1.7
125.02399	0.7
127.49771	0.6
134.03734	5.1
135.00879	0.9
135.04118	2.9
136.04280	1.0
148.01694	1.1
151.00377	7.0
161.04568	1.4
163.00342	1.9
163.11301	3.0
165.12823	2.4
178.99879	3.7
181.69604	0.6
183.00618	0.6
191.10565	0.6
193.05034	6.7
194.05379	4.5
195.05534	4.0
199.04042	0.6
209.11813	100.0
210.12148	6.6
211.03961	0.7
213.24164	0.5
226.02657	1.0
227.03474	2.5
227.12881	16.6
228.13112	1.1
229.04999	0.7
233.58710	0.7
242.02216	0.6
243.02966	8.1
244.03516	0.5
245.04474	0.9
253.09250	13.1
254.02238	1.6
255.02986	15.2
256.03378	1.2
271.02457	38.7
272.02905	4.2
273.03952	1.0
299.01874	1.7
300.02722	58.9
301.03452	37.0
302.03885	2.4
425.96964	0.6
463.08783	44.4
464.09018	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	464.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38368	0.4
57.20338	0.5
59.01377	4.1
61.98801	1.6
71.01386	0.9
74.02449	0.7
89.02390	0.6
89.76990	0.5
97.32882	0.5
98.20663	1.2
106.06600	3.5
107.06953	1.2
108.05736	0.5
108.07323	0.4
117.75867	0.5
119.03534	0.7
126.03432	0.6
150.05591	2.9
151.05911	1.7
152.06229	0.9
154.86618	0.5
159.04509	0.5
163.03929	0.7
170.02426	0.8
179.05457	0.4
185.02287	0.5
211.02736	0.5
213.01950	0.6
214.05109	4.2
216.02951	0.7
227.03436	1.1
230.04556	4.4
239.02122	3.7
240.03030	1.6
241.03772	1.7
244.02501	1.3
255.02864	0.6
256.03876	2.4
258.04047	21.0
259.04260	1.3
268.02426	1.0
269.03296	4.7
271.02341	1.1
272.02890	0.8
274.88785	0.4
284.05643	2.5
285.02795	0.7
286.03546	100.0
287.03918	6.8
300.02484	0.9
301.03259	2.2
301.05902	55.2
302.06482	4.0
432.09305	0.9
463.25696	0.8
464.11954	67.8
465.12274	8.1
465.26886	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	464.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98826	100.0
62.98537	0.4
69.45913	1.9
109.95522	0.3
127.07684	0.4
129.05595	1.0
189.07722	1.9
196.52617	0.2
355.02695	0.3
444.53271	0.3
464.08673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95819	0.5
57.99521	0.5
58.32494	0.4
59.01379	8.5
61.98827	100.0
64.20985	0.5
68.49979	0.4
70.33952	0.4
71.01392	1.4
78.95909	0.9
89.02448	1.4
93.75690	0.6
101.02431	0.8
103.35713	0.6
115.00510	0.5
119.03524	0.5
140.60683	0.6
147.20444	0.6
151.00404	0.5
152.99626	1.7
176.56099	0.5
211.13475	0.5
232.84801	0.5
272.02814	0.7
300.02789	1.1
301.02957	2.4
302.03558	0.6
436.24677	0.6
464.09225	1.8
465.21286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86251	3.5
59.01368	19.6
59.97768	4.2
61.98830	100.0
70.07539	11.4
98.08423	3.2
101.86069	3.4
171.41751	3.6
186.41211	4.3
301.03146	5.7
446.14389	3.4
464.08939	6.6
470.13904	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99115	7.0
52.50016	6.6
59.01383	93.9
61.98836	8.1
70.10234	27.9
71.01376	11.5
78.95891	18.3
80.46236	7.2
89.02451	11.2
89.98299	7.1
96.96017	10.9
101.02437	9.9
109.89649	7.2
123.45808	6.9
127.55105	8.1
152.99536	24.4
198.83910	8.1
211.03983	26.2
212.04483	7.6
223.13307	22.6
226.06311	93.6
227.06718	7.5
239.03452	9.2
241.08673	100.0
253.04987	11.6
254.05800	13.4
393.76947	8.2
404.24652	8.0
465.13428	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28465	0.4
50.37015	0.4
57.03446	0.9
59.01377	100.0
60.01709	0.9
65.81876	0.4
70.20061	1.4
71.01379	6.8
71.67851	0.4
85.02959	1.0
87.00887	0.5
89.02444	9.0
101.02448	4.1
113.02454	2.9
119.03510	4.7
131.03548	0.7
143.03496	1.1
149.04660	0.4
161.04614	1.6
167.10847	0.9
179.05630	2.8
199.23424	0.4
243.58243	0.4
329.24051	0.4
405.21420	2.5
465.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44780	1.3
57.03445	1.4
58.00590	2.9
59.01379	100.0
61.98820	4.4
66.53085	1.3
69.79240	6.7
69.79635	2.9
71.01017	2.3
71.01382	30.8
72.22324	1.4
72.99276	2.4
73.02937	3.3
80.43074	1.3
83.01385	3.1
85.02946	6.4
87.00888	1.6
89.02445	49.5
95.01369	4.2
98.19933	2.2
101.02444	22.8
113.02440	16.3
119.03503	20.8
123.58351	1.6
131.03487	2.8
143.03479	4.3
149.04572	1.7
161.04556	3.7
163.11258	1.4
167.10805	2.1
179.05640	12.2
179.20438	1.3
181.12320	3.0
243.15987	6.7
282.15472	1.5
327.09277	1.6
405.21298	86.2
406.21655	9.1
456.94250	1.6
477.22171	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30554	2.0
57.03439	2.0
57.59481	1.8
59.01378	100.0
61.98826	28.8
70.08638	2.5
70.08981	7.3
71.01382	21.8
72.95023	2.1
72.99314	2.5
73.02928	3.3
79.46440	1.9
85.02952	4.7
87.00883	2.8
89.02444	22.0
101.02435	12.7
113.02437	9.0
116.35229	1.9
119.03494	12.7
135.04558	3.1
161.04538	4.6
164.07143	4.2
167.10808	3.6
176.26582	1.9
179.05583	6.1
243.15936	3.7
285.11990	2.6
371.03476	2.6
405.21323	20.0
412.62033	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	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65906	0.5
55.01868	0.9
57.03455	0.8
59.01378	21.5
61.98829	4.6
71.01379	12.1
71.04995	0.9
71.50671	0.9
72.99308	1.5
73.02943	3.5
75.00847	0.7
83.01376	2.4
83.69256	0.5
85.02936	4.8
85.06579	0.6
86.00042	0.7
87.00859	1.7
89.02442	3.6
95.01365	0.9
99.00887	0.8
99.08142	1.9
101.02429	7.9
108.02167	1.7
109.02326	0.6
109.02962	6.0
111.00873	1.4
113.02428	3.6
119.03466	1.0
123.04559	0.7
127.07661	0.9
127.11309	0.5
129.09186	1.8
151.78992	0.6
152.01134	1.6
153.01918	5.0
155.10835	0.5
161.04568	0.8
167.03455	2.6
171.06528	0.8
172.85426	0.5
179.05540	0.6
209.11754	1.1
210.12227	0.9
223.08820	0.6
257.21283	0.6
273.02966	1.0
273.64853	0.6
285.20688	6.0
287.05826	0.5
288.04718	0.6
301.20340	0.6
302.03540	0.9
303.21756	12.3
304.22318	1.2
405.20764	0.8
411.54300	0.6
447.26068	4.8
465.10007	7.9
465.27005	100.0
466.10703	0.8
466.27371	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	465.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60459	13.0
52.20962	14.6
53.39591	13.2
59.01379	100.0
61.98844	15.8
71.50267	19.5
84.15736	13.3
86.78080	14.3
99.78056	14.5
137.34671	14.0
152.15186	14.8
159.64552	13.8
198.29337	16.3
224.56102	13.4
278.92184	14.5
388.65457	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.49834	11.8
84.76093	10.2
93.89194	9.5
140.13130	8.5
165.05978	8.9
262.43365	10.5
302.08981	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	466.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.8
60.47754	0.5
61.98830	100.0
67.05166	0.4
69.21307	3.8
71.01385	0.7
74.83485	0.4
98.19933	0.7
155.10802	1.6
199.09770	1.3
239.90469	0.5
242.08832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01379	100.0
60.01702	6.7
61.98824	24.0
66.56023	1.8
67.01878	1.9
69.43668	14.8
71.01380	23.9
72.01704	2.7
72.99313	3.2
73.61333	2.1
75.00868	4.9
78.68669	1.8
79.37556	1.7
80.47163	2.1
85.02950	5.5
87.00881	4.5
89.02441	30.0
93.03462	16.3
100.72662	2.0
101.02438	17.7
108.02209	5.1
112.04054	16.2
113.02467	10.2
113.99573	5.2
114.02795	3.3
115.00361	8.7
119.03485	9.7
119.05054	2.3
120.01245	2.7
123.04510	3.9
124.04021	10.5
133.02957	5.2
135.04510	3.4
140.07185	7.0
143.03560	2.4
149.02432	3.2
149.09703	3.0
151.04002	7.2
157.01442	2.6
161.04636	2.3
165.05547	7.2
167.10767	4.9
175.02449	4.9
179.05635	8.9
184.06137	58.3
185.06378	2.7
190.88480	2.1
193.05095	2.6
206.24577	2.1
221.04539	13.2
243.06653	2.8
257.07925	2.9
405.21005	3.2
406.21591	7.4
467.12036	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	466.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54022	0.6
59.01381	2.4
59.76092	0.5
61.98827	100.0
66.38062	0.7
69.59271	0.6
71.01382	1.9
81.49867	0.6
85.02901	0.7
89.02474	1.0
101.02472	0.7
115.00357	1.8
119.05054	0.8
123.04522	0.9
139.09683	0.7
218.85808	0.7
327.08835	1.4
341.50186	0.6
405.08542	0.8
465.27045	1.9
466.27417	3.3
485.34592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.38972	0.7
61.98828	100.0
62.27087	0.7
69.17709	3.2
69.18137	3.8
76.28738	0.8
80.45890	0.6
98.20657	1.8
111.53574	0.9
129.05531	0.7
163.04039	2.3
177.37900	0.7
203.71902	0.7
359.10321	0.7
411.38983	0.7
448.47934	0.8
465.26917	1.0
466.27487	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	466.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01675	0.4
58.37399	0.4
59.01381	3.0
61.98830	100.0
69.25468	3.9
72.99322	0.5
78.12704	0.4
121.63882	0.4
138.18248	0.4
174.96124	0.4
201.00046	0.5
202.01578	0.4
380.20721	0.5
447.11499	0.5
466.12524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.8
61.98826	100.0
71.01409	1.3
71.50325	1.2
71.50696	1.0
77.63245	1.0
78.95907	11.0
96.96997	1.0
107.87098	0.9
114.23480	1.0
115.08768	13.2
128.55762	1.0
131.03775	7.1
132.04587	1.4
132.47903	1.1
140.07123	1.5
141.10312	1.7
144.04509	1.4
146.06102	1.3
152.99571	8.9
153.99939	1.4
155.10800	1.6
157.09808	8.0
158.06125	7.1
175.08710	3.3
183.11411	1.2
199.09688	2.4
201.47064	1.3
209.09279	1.1
213.05492	1.3
274.15536	3.9
316.16675	16.6
319.98474	1.1
360.15540	7.6
466.13324	2.7
466.19635	12.2
466.26477	1.5
467.19882	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	466.2935
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
53.24717	0.6
55.34435	0.6
59.01359	2.2
61.98816	0.7
66.31110	0.5
71.51172	0.7
78.95899	18.2
85.71691	0.6
140.01167	4.0
152.99571	2.3
196.03809	9.7
214.04893	2.6
269.24835	100.0
270.25183	9.6
270.28128	0.7
270.92102	0.7
442.15207	0.6
466.29370	29.2
467.29587	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	467.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91640	2.9
58.67848	2.8
59.01374	16.2
61.98828	51.0
66.22718	2.6
69.36103	13.8
69.36514	6.9
71.01385	3.7
73.02930	4.1
80.02213	3.1
89.02438	4.0
101.02431	3.4
119.05019	36.6
149.91408	2.9
155.10783	3.2
163.03999	100.0
164.04356	3.9
182.82808	2.6
325.09265	5.3
467.27576	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	467.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20156	0.8
59.01379	2.3
61.98823	2.4
69.69038	4.9
79.00947	0.9
83.29436	0.8
98.65167	0.9
108.11984	0.9
111.85236	0.8
115.00381	1.2
161.97237	0.9
180.33826	0.8
184.05293	2.1
195.04558	1.7
196.05276	2.6
197.05890	1.3
211.13396	1.0
212.04826	1.7
213.05597	5.7
216.78133	1.1
224.04758	6.0
225.05592	3.3
226.06372	1.8
239.07056	1.5
240.04132	1.0
241.05000	5.9
255.06609	10.2
256.07330	11.5
301.08694	3.1
309.20590	2.3
328.07419	2.8
329.08044	1.3
330.08862	1.7
331.06064	4.9
332.06870	10.0
344.10529	2.3
346.08374	3.4
347.09280	9.8
361.10754	2.8
409.14764	1.0
418.11871	1.5
419.12915	3.9
420.13599	9.7
421.14185	2.9
433.14435	2.0
434.14972	1.1
435.16043	12.9
436.13318	3.1
437.13864	2.3
451.15546	13.6
452.16190	5.4
467.18677	100.0
468.18985	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	467.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73496	0.8
51.84962	0.8
59.01369	1.3
60.15705	0.8
61.98818	2.1
69.19888	5.3
69.20314	2.3
135.78352	0.7
137.39154	0.8
159.80586	0.8
168.88145	0.7
176.74483	1.1
184.05278	6.7
195.04538	0.8
199.04013	0.8
199.07570	1.7
212.04765	3.2
213.05539	13.3
226.06183	0.9
227.07178	3.0
229.02605	0.8
239.03500	3.9
240.04193	2.6
241.05051	18.7
242.05473	1.6
255.06618	31.6
256.07367	29.7
256.10068	1.8
257.07690	2.3
272.03311	2.1
276.08237	1.0
300.07904	2.2
301.08441	1.3
315.10178	1.0
317.08179	1.4
318.09006	1.4
332.06918	1.3
333.11218	1.4
342.08868	1.8
344.10443	1.7
345.07751	1.0
346.08356	3.7
357.11182	4.9
361.10822	1.7
365.15512	0.8
376.14417	0.8
391.13403	4.2
409.14496	5.3
410.14923	1.0
418.11966	2.3
419.12491	1.5
420.13535	6.5
433.14478	6.5
434.15106	10.8
435.15900	10.8
436.16141	1.7
437.14352	0.9
449.17651	1.2
452.16232	36.4
453.16760	5.5
467.18634	100.0
468.18985	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.4
59.01383	14.6
59.65763	0.8
61.37460	0.9
61.98828	5.8
71.01383	10.7
71.50867	1.2
73.02940	4.4
83.01393	2.5
83.68371	1.0
85.02946	5.5
89.02434	4.1
99.08154	30.5
100.08482	1.1
101.02447	8.2
109.06658	1.3
113.02463	5.1
119.03517	1.9
127.07646	32.5
128.07988	1.5
129.05577	100.0
130.05901	3.7
133.08701	1.2
137.06064	2.0
138.03220	1.1
143.03487	1.3
153.05568	15.7
161.04524	5.8
171.06635	7.4
171.10233	5.0
181.05058	1.7
198.01251	0.9
199.06145	1.4
267.41119	0.8
273.68250	0.9
277.13007	0.8
295.13956	28.4
296.14371	1.9
449.20215	3.0
467.21347	66.0
468.21786	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	467.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	24.8
65.96583	8.0
69.26624	73.0
72.99300	29.5
75.00869	75.7
98.19957	18.8
99.00853	16.8
101.66914	9.0
111.08145	11.2
112.98834	9.1
121.02987	10.2
135.02992	100.0
142.99823	10.7
161.06094	14.6
165.12843	20.4
174.01680	76.9
175.07530	9.2
183.14021	8.7
202.10089	10.7
216.76256	9.8
217.11250	8.6
233.14810	10.6
236.96490	8.3
277.21765	52.6
287.20029	11.4
293.21240	31.1
305.21222	69.7
309.00165	8.1
317.20959	10.6
327.19476	13.7
331.19159	93.1
333.20801	16.8
345.20670	74.4
346.20789	9.4
349.20093	39.1
369.20816	15.0
371.18597	75.9
389.19843	14.4
395.18570	12.2
401.19431	22.6
413.19540	22.8
431.20694	29.1
449.21796	26.5
467.20975	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	468.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98828	100.0
69.39726	1.9
272.38626	0.3
364.13901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65084	0.4
51.83346	0.4
59.01377	1.2
61.98831	100.0
69.23358	3.4
71.01397	1.3
85.02950	0.4
85.37720	0.4
88.27868	0.5
89.02436	0.9
89.38599	0.4
98.20622	0.8
101.02472	0.6
102.66205	0.4
113.02422	0.5
125.64821	0.4
184.42076	0.4
242.28160	0.5
259.55508	0.5
386.47031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94551	0.5
59.01384	5.9
60.01718	0.8
61.01804	1.7
61.49674	0.5
61.98830	100.0
67.60975	0.6
67.72084	0.5
70.85206	1.4
73.38803	0.5
76.72863	0.5
89.02431	0.7
91.31920	0.4
93.05785	0.5
153.90465	0.5
180.04068	0.5
377.67642	0.5
470.16351	0.6
485.71744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	72.4
65.31670	10.2
71.01385	100.0
71.48817	24.9
73.02936	23.3
75.00869	12.9
79.77546	10.0
85.02929	56.9
88.67554	10.8
89.02435	62.9
99.00882	27.1
101.02428	47.4
112.98795	41.2
113.02441	34.9
115.02158	12.6
119.03473	32.0
129.01932	27.5
130.08682	16.6
131.08293	13.3
131.51825	15.0
137.23997	12.8
142.99942	18.8
145.01398	28.4
149.46382	11.9
161.04501	31.4
163.04001	28.1
173.00847	13.6
179.05643	24.6
180.04303	18.6
181.05080	69.5
221.06575	19.0
235.08145	30.9
313.09161	15.7
343.10580	54.0
424.16837	12.3
469.09662	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	469.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	72.4
65.31670	10.2
71.01385	100.0
71.48817	24.9
73.02936	23.3
75.00869	12.9
79.77546	10.0
85.02929	56.9
88.67554	10.8
89.02435	62.9
99.00882	27.1
101.02428	47.4
112.98795	41.2
113.02441	34.9
115.02158	12.6
119.03473	32.0
129.01932	27.5
130.08682	16.6
131.08293	13.3
131.51825	15.0
137.23997	12.8
142.99942	18.8
145.01398	28.4
149.46382	11.9
161.04501	31.4
163.04001	28.1
173.00847	13.6
179.05643	24.6
180.04303	18.6
181.05080	69.5
221.06575	19.0
235.08145	30.9
313.09161	15.7
343.10580	54.0
424.16837	12.3
469.09662	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84120	0.9
57.03444	3.7
58.00591	1.1
59.01380	37.4
61.98833	26.1
69.68555	5.2
71.01385	28.9
72.99326	1.4
73.02941	5.2
83.01394	2.0
85.02955	8.8
87.00867	2.3
87.04536	1.3
89.02451	32.3
95.01404	2.5
98.20542	1.0
99.00905	2.2
99.08168	12.6
100.51991	0.8
101.02449	20.6
111.00826	0.8
113.02457	13.6
119.03497	12.3
127.07661	29.2
129.05591	36.8
130.05890	2.0
131.03502	1.5
135.06644	11.4
143.03505	2.7
153.05626	5.3
161.04543	8.2
161.62967	0.9
171.06630	7.7
179.05629	11.1
189.07651	2.7
234.75308	0.8
297.11905	100.0
298.12332	6.5
307.17545	3.2
384.91177	0.9
451.18335	1.0
469.18921	14.6
469.23477	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	469.2569
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
71.51042	0.4
78.95901	6.7
85.36599	0.3
86.03707	0.2
94.32426	0.3
96.96984	0.7
114.83418	0.3
152.99579	14.6
153.99852	0.3
171.00626	1.2
227.03238	3.2
241.21706	100.0
242.22058	6.7
245.04306	1.2
255.23409	0.3
262.38144	0.3
318.39474	0.3
335.08444	0.3
419.37799	0.3
456.12323	0.4
469.25647	23.5
469.32764	1.3
470.25977	2.6
470.33072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04711	1.4
50.76301	1.8
53.67675	1.6
57.03439	4.7
59.01388	8.8
65.11054	1.7
66.29319	1.4
68.99821	4.0
69.03455	11.0
70.15437	7.8
71.01376	23.1
72.99318	5.6
73.02958	2.8
78.95914	6.0
83.01379	3.3
85.02950	21.0
87.00873	36.3
87.04488	3.3
95.15732	1.8
97.02954	14.3
99.00884	11.0
101.75955	1.7
103.67017	2.0
111.00902	3.2
113.02477	2.0
115.04023	5.6
129.01935	26.0
139.84947	1.6
141.01962	7.0
152.99553	11.3
159.03029	6.3
173.11893	3.2
191.05603	15.9
209.06735	4.1
241.21709	28.0
242.22307	2.3
250.80190	1.6
255.23312	18.9
277.21689	100.0
278.22049	9.2
291.23282	6.2
301.22055	2.1
311.17123	1.7
345.24435	4.6
419.24637	3.8
451.24854	4.0
469.28073	91.8
469.34393	6.1
470.28558	9.3
481.80496	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	469.3686
Annotation	Combretanone G
Peak:m/z	Relative Intensity
62.25788	0.5
66.38712	0.6
97.02946	2.0
98.20705	0.8
112.92033	0.5
157.89771	0.6
229.14377	0.7
287.39578	0.5
307.06985	0.5
352.30902	0.6
469.36896	100.0
470.37201	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01377	100.0
61.98825	2.7
69.13261	2.6
69.13683	9.1
71.01376	7.3
73.02937	2.3
73.52580	1.1
83.38396	1.0
85.02943	2.5
89.02448	3.7
95.05005	2.4
97.06606	1.3
98.19947	2.8
99.04522	4.5
101.02448	4.0
107.08728	2.2
113.02460	9.7
113.09724	57.9
114.10059	2.0
119.03503	1.7
119.04981	1.5
123.04520	85.4
123.08224	1.4
124.01652	4.8
124.04836	3.3
141.09212	68.9
142.09549	2.1
143.07135	17.6
150.06900	2.5
151.07642	2.7
161.04544	8.9
161.13371	18.2
167.07127	46.4
168.07491	1.9
185.08165	15.6
187.11238	5.3
203.09193	2.6
205.12325	56.2
206.12613	3.4
223.13361	2.9
229.12309	2.1
231.10194	1.6
241.08606	1.6
247.13373	2.0
249.11307	41.7
250.11833	1.6
265.14386	1.5
276.26755	1.1
285.09784	9.6
289.06522	1.3
291.12466	10.0
291.19669	1.4
309.13553	8.2
471.18585	5.5
471.25967	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	1.1
70.97031	0.9
71.01382	5.3
71.02187	2.0
72.99326	1.0
73.02908	0.7
74.00756	0.9
84.02163	0.8
85.02946	2.3
85.86397	0.8
89.02443	5.9
95.05006	1.1
101.02425	3.5
106.94205	0.8
113.02454	6.1
119.03474	2.0
159.08130	0.9
159.11760	1.0
161.04550	1.1
161.13353	11.5
179.05536	1.0
185.09695	1.2
185.13380	1.0
187.11284	25.5
188.11653	2.1
205.12328	39.2
206.12642	2.2
223.13373	2.4
229.12328	6.3
238.59570	0.8
247.13448	2.2
249.11340	9.3
265.14420	1.9
267.12329	2.3
291.12476	1.2
309.13443	17.7
310.13672	0.9
411.16449	2.2
471.18915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59581	1.1
57.03444	6.3
59.01374	14.5
71.01364	4.6
85.02956	2.1
86.21498	1.3
95.05036	2.6
97.06590	1.3
101.02438	2.0
105.03391	1.7
113.02449	3.5
113.09723	93.5
114.10056	3.2
123.04517	100.0
123.08159	1.2
124.01643	4.7
124.04813	3.5
138.03229	1.6
138.05621	2.3
141.09209	82.2
142.09583	3.1
143.07127	74.3
144.07448	2.9
161.04527	7.8
167.07124	54.5
183.54788	1.2
185.08194	20.3
203.09172	6.1
231.52293	1.5
249.11296	1.5
285.09790	13.3
453.17651	2.4
471.18735	21.3
472.18900	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13558	0.8
59.01377	100.0
60.01707	0.9
61.98828	18.9
68.16068	1.0
69.03446	0.8
69.42158	5.7
71.01370	6.1
71.43401	0.8
72.99296	0.9
73.02956	0.9
79.05528	0.7
81.07083	0.8
85.02950	1.2
87.65102	0.7
89.02425	3.6
95.05022	1.3
98.19833	0.9
99.04527	1.7
101.02463	4.1
104.05953	0.8
107.05050	2.7
113.02421	4.1
113.09747	0.9
119.03506	1.9
153.65814	0.7
159.08147	1.2
161.04669	1.2
161.13364	13.2
185.13368	1.2
187.11290	14.9
188.11690	1.0
203.07224	0.9
205.12323	47.1
206.12668	4.2
223.13454	2.2
229.12305	3.8
231.10367	1.2
247.13565	1.1
249.11279	22.4
249.13673	1.1
250.11673	2.2
265.14301	1.3
267.12415	1.4
291.12521	1.5
309.13397	23.5
310.13754	1.9
351.14795	1.2
411.16824	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	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	0.7
61.98830	1.0
64.34200	0.5
71.01378	3.6
72.99289	0.5
73.02938	3.1
83.01394	1.0
85.02963	1.3
89.02445	2.5
93.99472	0.4
95.01392	0.6
101.02428	4.5
101.52129	0.4
111.77278	0.4
113.02454	3.2
119.03523	0.6
119.05013	0.7
127.07742	0.7
127.12673	0.5
133.37929	0.4
137.09674	0.5
149.04585	0.6
159.08229	0.6
161.04587	1.7
161.13367	2.5
171.51918	0.5
187.11261	4.7
187.68596	0.5
196.81992	0.6
205.12329	10.3
206.12616	0.5
223.13597	0.5
229.12352	0.8
247.13501	0.5
249.11333	3.7
265.14603	0.6
291.12601	0.7
309.13388	4.1
310.13779	0.7
324.10037	0.5
343.99420	0.5
411.16708	0.9
476.07773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27002	0.6
57.03448	2.2
57.28855	0.6
59.01380	100.0
60.01712	1.2
61.98815	1.1
62.97617	0.5
71.01376	5.9
71.50924	0.6
73.02943	3.8
83.01387	0.7
85.02965	2.6
89.02441	3.3
95.01410	1.3
98.92339	0.5
99.08147	6.8
101.02455	6.7
106.64576	0.6
113.02445	6.0
114.87998	0.6
119.03544	0.8
120.68280	0.5
123.04550	1.1
125.02484	0.9
127.07661	6.7
129.05583	3.8
131.03563	1.0
131.08174	0.6
135.04503	0.8
137.06085	6.0
137.09822	0.6
143.03532	0.8
149.04599	0.9
153.05557	4.8
161.04546	3.3
161.13326	2.7
168.00693	0.9
171.06717	1.7
185.13405	1.1
187.11304	3.0
203.14485	1.2
205.12325	12.1
205.14113	1.0
206.12711	0.8
210.75163	0.6
229.12260	3.6
247.13469	1.0
249.11288	8.6
299.11636	1.4
309.13461	7.1
471.18799	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94094	2.3
53.09007	2.3
53.94172	2.0
59.01378	25.4
61.98806	1.9
71.01379	7.2
71.50768	3.8
82.33207	1.9
85.02975	3.6
89.02465	5.4
95.58776	1.9
97.06526	2.1
101.02431	6.4
113.02467	3.8
113.34072	2.3
119.03524	2.1
120.06126	1.9
155.92357	2.0
159.79756	2.0
179.09500	2.3
181.12326	2.7
211.13399	2.8
227.73512	2.1
273.18683	3.2
291.19629	30.0
292.19962	2.3
309.20673	100.0
310.21036	11.1
333.20642	5.2
471.14688	2.9
471.25732	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09723	1.1
57.03452	5.2
59.01374	15.3
60.84017	1.2
61.98825	2.4
63.01336	1.0
63.03270	1.0
63.33363	1.0
64.08681	1.0
69.03444	1.6
69.42919	5.5
69.43325	2.1
71.01379	17.5
72.99307	5.0
75.00872	52.5
83.01362	1.5
84.02158	1.7
85.02964	10.1
87.00874	10.2
89.02432	4.5
95.01314	1.1
97.02920	3.0
99.00895	5.9
101.02432	2.7
111.00877	1.7
113.02415	1.4
118.95879	1.0
129.01939	13.8
131.03467	1.4
141.01886	2.5
151.83246	1.2
159.02969	4.9
160.84195	1.5
162.83917	3.1
177.04031	56.6
178.04395	1.5
195.05089	1.3
195.13882	4.2
223.13374	3.4
230.43008	1.1
235.17038	2.8
247.20697	1.3
275.20023	1.7
279.20245	1.2
287.61801	1.3
291.19598	8.7
293.21216	32.9
294.21542	2.8
309.20679	14.8
348.28653	1.1
435.23959	2.9
436.06549	1.5
456.12158	1.2
471.14423	4.3
471.25925	100.0
472.26367	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49837	0.6
57.03431	1.6
58.00587	1.9
59.01378	49.2
61.98807	2.0
70.64709	1.7
71.01379	27.0
72.01659	0.6
72.99302	2.7
73.02943	2.7
83.01396	2.1
83.05030	0.8
85.02954	5.3
87.00846	1.7
87.48299	0.5
89.02444	20.5
91.70510	0.5
95.01381	1.9
97.06615	0.6
99.00889	1.5
101.02448	15.6
111.08169	0.6
113.02443	8.7
119.03504	7.2
125.09751	1.0
131.03455	0.9
131.64482	0.6
133.01447	1.4
141.09235	0.7
151.11206	0.9
161.04503	0.9
165.12831	1.7
179.05672	0.9
197.11852	1.9
199.13368	0.7
211.13350	8.0
241.08696	0.9
247.20683	1.4
248.95100	0.6
273.18567	1.7
291.19656	32.3
292.19934	2.2
293.21259	0.6
309.20700	9.2
310.20993	0.6
471.25958	100.0
472.26294	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	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
57.03443	2.2
58.00566	0.9
59.01380	18.9
61.98857	0.5
64.69447	0.6
67.01873	0.9
69.03455	7.4
71.01383	12.6
72.99307	1.2
73.02940	0.8
75.00906	0.6
76.51833	0.7
82.48876	0.7
83.05019	0.9
85.02950	3.3
89.02439	7.6
97.06585	2.2
101.02449	7.2
103.22989	0.7
113.02460	3.8
113.09738	2.0
119.03500	3.2
121.10223	6.5
123.04517	2.9
123.08153	1.1
125.09722	11.1
141.09222	2.3
147.08148	0.8
161.04575	1.0
165.12857	1.0
167.07118	1.1
167.14381	1.4
171.10318	1.3
185.11807	7.9
197.11836	2.8
203.10695	1.1
209.11803	1.2
211.13387	40.9
212.13737	2.0
221.11838	1.9
223.13306	1.0
229.74829	0.8
233.25156	0.6
233.80360	0.6
235.13373	0.7
239.12810	4.2
244.12109	0.7
247.20566	1.2
249.11308	0.8
273.18536	1.4
274.47351	0.6
291.19656	51.8
292.19998	4.7
309.20663	6.3
331.70502	0.6
349.47006	0.7
385.74326	0.7
471.25967	100.0
472.26306	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
56.23975	0.5
57.03432	0.9
58.00579	1.0
59.01378	33.6
61.47341	0.6
61.98823	1.6
65.06257	0.5
67.01892	1.2
68.18826	0.5
69.03449	0.7
69.30270	1.8
69.30695	2.5
69.58662	0.5
71.01015	1.1
71.01382	17.0
72.44656	0.5
72.99287	2.1
73.02925	1.3
83.01376	1.5
83.05038	0.6
85.02940	4.3
87.00877	1.0
89.01932	1.0
89.02445	12.3
95.01374	1.9
95.05006	0.9
97.02969	1.1
97.06580	0.6
98.19846	1.0
101.02438	10.9
111.08167	4.0
113.02444	6.3
113.09721	3.8
119.03490	5.5
119.08634	0.9
121.06583	0.6
123.04527	4.0
124.18395	0.5
125.09683	0.8
135.03029	1.1
137.09711	4.9
141.09221	4.1
143.07152	1.0
151.18045	0.6
161.04602	0.7
161.13382	0.6
167.07124	1.9
167.10712	0.7
171.10280	12.3
177.12840	0.8
179.10756	0.9
195.13872	2.3
205.12337	1.8
229.19429	0.9
247.20631	1.1
249.11279	1.4
270.39206	0.5
273.18491	1.8
291.19666	17.5
292.20105	1.3
309.20648	1.6
314.31265	0.6
471.25964	100.0
472.26270	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	471.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97025	4.9
59.01374	100.0
61.98822	37.9
71.01379	54.3
71.39888	8.2
89.02440	80.9
101.02461	18.1
113.02421	19.7
119.03480	22.1
143.03471	9.5
161.04527	7.1
165.12849	23.5
179.05573	19.1
247.20699	10.2
291.19687	99.0
471.13083	5.5
471.34128	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	471.2748
Annotation	Methyl lucidenate A
Peak:m/z	Relative Intensity
53.92607	0.9
55.34263	1.0
59.01379	2.0
61.98827	2.3
77.19976	0.9
78.95911	2.2
90.82587	1.0
98.20638	3.2
100.10448	0.9
100.29253	1.0
105.03471	2.5
108.92615	0.8
132.02153	10.6
133.02956	13.6
134.03746	16.5
135.04562	5.2
137.02437	2.7
139.03955	1.3
148.05292	1.6
149.06137	1.1
152.99596	5.4
160.01654	47.5
161.02428	7.9
161.06062	2.3
162.02805	0.9
175.03989	100.0
176.04308	3.2
178.02740	1.1
179.03513	2.7
190.10086	1.2
193.05037	6.2
281.89850	0.9
287.12912	2.2
295.22702	9.9
409.23511	2.7
413.30716	1.2
427.35675	2.4
439.24811	5.1
453.25497	1.2
471.27475	50.2
471.34711	25.6
472.27753	7.7
472.34833	3.1
493.01035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24818	0.9
59.01368	2.4
63.19408	0.8
64.65997	0.8
69.20890	5.4
69.21310	2.1
85.96421	0.9
86.38075	0.8
99.14649	0.8
100.59660	0.8
193.07144	1.1
247.93834	0.8
277.21707	100.0
278.22034	9.8
438.87402	1.1
471.35333	8.0
472.35172	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	472.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.5
59.01377	55.0
61.98824	2.2
69.51685	3.5
69.52116	5.3
71.01379	38.9
71.36652	1.1
72.99309	1.4
73.02966	1.6
83.01393	2.1
85.02946	4.8
87.00851	1.7
89.02440	54.1
90.02767	1.4
95.01362	3.0
99.00845	1.3
101.02441	21.1
113.02449	13.3
119.03495	20.2
130.07773	2.7
130.08739	49.0
131.03506	1.9
143.03519	5.8
161.04518	6.8
179.04169	1.8
179.05618	27.1
190.68422	1.2
323.30875	1.2
341.10858	100.0
342.11151	4.6
353.00876	1.4
358.69803	1.4
365.97766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21585	1.2
57.10299	1.4
59.01388	1.7
61.98818	5.1
71.50110	1.4
78.95900	41.8
96.96941	6.4
111.85531	1.3
114.87294	1.3
134.04691	2.0
152.99574	100.0
159.82785	1.2
171.00623	3.7
409.23560	23.9
410.23929	2.4
427.35382	2.6
472.35196	3.3
473.36584	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	473.145
Annotation	Peperomin F
Peak:m/z	Relative Intensity
57.03448	0.7
59.01378	100.0
60.01717	0.8
61.98826	9.2
71.01381	3.6
73.02955	1.2
78.04630	0.5
78.75089	0.4
79.20288	0.4
83.01387	0.5
85.02968	1.1
89.02452	1.5
93.03455	9.5
96.99308	2.6
99.08154	6.5
101.02447	2.0
113.02464	1.7
115.00372	1.4
115.05513	1.0
117.03481	1.7
119.03578	0.9
119.05024	17.9
120.05345	0.9
121.02953	3.3
123.04513	1.4
127.07654	11.5
129.05573	22.7
130.04240	1.7
130.05902	1.3
131.05052	1.7
132.05809	2.1
133.01462	0.6
135.04527	0.5
139.04008	18.9
143.05023	3.6
145.06584	0.5
145.08690	1.5
147.04523	3.2
153.05542	0.8
158.03737	1.0
163.04010	26.5
164.04330	1.3
171.06627	3.9
176.04723	0.5
180.58429	0.4
189.07684	40.7
190.08023	1.9
195.08153	15.2
196.08443	1.0
206.07437	0.7
207.08151	1.8
219.08134	3.0
221.09715	21.6
222.10023	2.0
223.11270	10.1
224.11638	1.1
229.20213	0.5
230.07193	0.5
234.06807	0.5
237.09172	0.9
247.07628	0.8
248.08377	3.5
249.09180	8.5
250.09518	0.5
267.10031	0.7
292.07324	1.0
293.08060	1.5
301.09268	6.2
311.09216	1.8
351.12903	2.6
413.12711	0.5
455.13702	0.8
473.14490	54.4
474.14911	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88890	0.3
56.13280	0.3
57.03452	1.1
58.01163	0.3
59.01379	14.1
60.17976	0.3
61.98827	3.2
66.82860	0.3
68.24810	0.3
70.48078	1.0
71.01390	2.2
73.02953	0.6
75.00874	0.3
77.70123	0.3
82.33208	0.3
83.01410	0.4
85.02991	0.8
86.52221	0.4
88.38689	0.3
89.02457	1.9
93.03462	2.2
99.08158	13.1
100.08537	0.4
101.02459	1.4
113.02476	1.0
115.00389	0.4
115.07601	0.3
118.19843	0.3
119.05024	1.6
121.02966	4.7
127.07657	14.8
127.59260	0.3
129.05585	52.0
130.05910	1.1
133.17764	0.3
139.04015	49.1
140.04349	1.5
145.08710	2.2
161.04602	0.4
163.03998	2.1
171.06610	3.8
179.05682	0.4
189.07684	100.0
190.08018	3.8
195.08228	0.5
221.09761	0.9
249.09245	0.4
279.76474	0.4
280.14008	0.4
293.21078	0.5
301.09305	18.9
302.09637	0.8
311.09183	0.6
357.09897	1.3
466.30557	0.5
473.16754	10.4
473.27353	3.5
474.17032	1.4
474.23315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01378	14.5
61.98826	1.3
69.36971	1.8
69.37391	1.0
71.01377	0.9
85.02988	0.4
88.52300	0.4
89.02441	0.9
91.82039	0.4
93.03447	1.3
99.08159	14.8
100.08476	0.4
113.02453	0.7
121.02951	3.6
127.07647	14.3
128.07939	0.5
129.05576	55.8
130.05928	1.5
139.04008	52.0
140.04338	1.5
145.08694	2.2
153.05424	0.4
158.67540	0.4
171.06622	3.3
189.07680	100.0
190.08000	3.8
301.09271	18.7
302.09647	1.1
311.09232	0.4
392.33676	0.4
473.16556	9.3
474.16760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.8
61.98819	11.0
63.00917	1.3
63.94066	1.2
69.25102	11.6
71.01363	5.0
73.02949	2.0
83.01395	1.2
85.06989	1.2
89.02447	2.1
93.03452	16.9
96.99297	3.0
98.20708	2.7
99.08149	11.8
101.02448	3.1
113.02412	1.4
115.05526	1.3
119.05022	20.9
121.02925	5.7
127.07640	18.1
129.05576	49.0
130.04231	2.5
130.05830	1.8
131.04974	4.1
132.05859	1.7
139.04002	37.3
143.05023	7.5
145.06622	1.5
147.04503	6.2
158.03748	1.4
163.04013	23.4
171.06586	7.4
189.07672	87.4
190.07994	3.7
195.08128	23.4
207.08066	2.8
219.08113	6.1
221.09695	38.0
222.10147	3.3
223.09480	1.7
223.11302	20.2
237.09221	1.9
248.08401	6.5
249.06827	1.6
249.09190	17.6
292.07382	2.6
293.08075	3.6
301.09293	16.8
311.08847	3.1
339.08691	1.7
351.12839	5.9
473.14453	100.0
474.14630	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	473.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68494	1.2
53.16860	1.3
57.03445	1.5
58.00585	3.9
58.80663	1.3
59.01376	93.1
61.98814	4.9
62.30677	1.1
69.28868	3.2
69.29279	8.8
71.01377	68.0
72.99303	5.5
74.02449	1.2
83.01367	2.7
85.02959	10.9
87.00868	6.3
88.04011	2.2
89.02439	100.0
90.02754	1.7
95.01378	4.2
99.00879	3.1
101.02438	39.4
107.03506	1.5
109.02939	5.2
111.00861	4.0
113.02433	29.4
113.03175	2.4
115.07607	1.7
119.03490	41.7
119.05021	4.8
123.04512	1.3
127.00352	8.9
128.03514	3.0
131.03490	4.1
131.65242	1.6
134.03729	4.1
135.04506	7.8
143.03479	11.3
149.04524	4.3
149.06056	7.2
161.02351	1.9
161.04535	15.7
162.03215	3.7
163.03998	6.9
165.05592	1.9
175.04027	1.5
176.22379	1.3
177.01761	1.6
177.05534	8.9
179.05600	84.4
180.05919	3.3
187.02441	1.6
189.05464	1.9
193.05066	5.8
206.05823	1.9
221.04526	28.5
221.07962	9.6
222.04924	1.8
223.06001	2.0
274.34351	1.5
293.12344	2.5
456.20352	1.5
462.44110	1.3
473.12534	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89495	1.0
55.01871	5.7
57.03433	3.2
58.00582	1.6
59.01377	100.0
60.01708	1.7
61.98814	2.9
67.22452	0.9
69.03424	1.5
69.23668	0.8
71.01379	58.1
71.04966	2.9
72.99289	3.0
73.02943	19.9
73.33533	0.9
75.00879	1.5
78.91874	3.4
81.52745	0.8
83.01385	12.2
83.04072	0.9
83.77958	0.9
85.02463	1.8
85.02947	26.9
87.00844	3.4
89.02444	15.0
93.03485	1.1
95.01366	3.3
96.96935	1.4
96.99304	2.0
97.02958	2.0
99.00883	7.3
101.02436	59.9
102.02731	1.1
106.06606	1.2
108.02128	1.4
111.00835	1.0
113.02444	24.9
113.03577	1.1
115.00348	3.1
115.07637	2.0
119.03481	8.5
119.04975	5.6
123.04517	3.1
125.02412	4.1
131.03419	1.1
133.01384	3.1
133.02992	1.4
134.03729	4.3
135.02994	1.2
143.03468	3.8
143.04996	2.3
146.03705	1.5
147.04518	1.3
150.05579	1.6
152.08459	1.0
159.02953	3.8
159.04500	3.4
161.04523	18.3
161.06026	4.4
163.03957	3.4
178.46043	1.0
179.05569	3.0
189.07491	1.3
193.05037	1.3
205.05032	2.0
211.07629	1.8
212.07962	1.0
226.06169	1.6
237.09055	1.1
251.07048	3.8
252.07957	2.3
253.08693	1.7
269.10263	18.6
280.07468	4.6
295.09637	3.4
297.18124	1.0
302.38135	1.2
311.11411	5.8
323.16000	4.1
324.06281	1.3
339.08755	1.7
357.09778	43.2
358.10034	3.5
431.15533	65.5
432.15848	5.2
473.16434	7.1
474.82669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04069	1.3
59.01380	100.0
61.98827	9.6
62.55811	1.4
65.52542	1.3
68.09114	1.2
71.50598	2.2
78.95929	1.9
96.53648	1.3
100.86404	1.4
122.21310	1.4
134.04677	1.5
141.82602	1.4
143.22433	1.5
186.60248	1.6
187.67941	1.5
341.07874	3.2
390.90265	1.6
473.33365	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	473.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	2.1
61.01786	0.6
61.98829	5.0
65.02879	0.3
66.93987	0.3
71.01398	2.0
73.02965	0.4
79.62107	0.3
84.63054	0.4
89.02439	1.0
94.61269	0.3
98.19859	0.8
100.01257	0.4
101.02464	0.8
112.76677	0.4
113.02482	0.5
119.04974	0.4
129.05548	0.5
129.82899	0.3
134.03786	0.4
163.04045	0.5
163.56247	0.4
171.86066	0.4
177.02089	0.4
187.11230	0.3
188.11667	0.3
189.07722	1.0
205.12430	0.8
205.55756	0.4
206.12668	0.4
206.42015	0.4
207.14090	0.5
283.05533	0.4
307.50757	0.4
311.09766	0.4
311.14505	0.4
357.09717	0.6
371.20905	0.5
383.72232	0.5
412.34183	0.4
413.21957	0.4
473.15076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27648	6.2
52.37151	6.5
59.01376	89.2
61.98833	18.6
71.01379	64.2
71.51054	8.0
89.02440	62.3
101.02441	17.3
113.02438	14.1
121.02912	6.7
134.04735	10.0
169.82411	7.0
178.23112	6.7
179.05568	13.1
195.13892	7.5
275.14880	7.9
277.21716	14.1
293.21198	100.0
399.61935	8.1
473.33044	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	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03440	1.9
59.01378	12.5
61.98827	1.1
66.00807	0.5
66.18324	0.4
67.01887	1.1
71.01382	7.6
73.02972	0.5
83.05032	1.0
85.02934	2.4
89.02444	3.8
91.35678	0.6
95.01406	0.6
97.06615	0.5
99.00887	0.6
100.37781	0.5
101.02451	3.7
113.02433	1.8
113.09720	0.7
119.03479	1.4
123.08212	0.7
125.09721	5.6
139.11208	0.7
141.12839	1.3
149.09695	1.2
167.10675	0.8
167.14374	0.8
170.67447	0.5
171.10237	1.8
185.11842	7.8
197.11813	2.1
211.13388	36.2
212.13800	1.4
222.33820	0.5
225.75687	0.5
227.32158	0.5
235.13477	0.6
235.17062	0.5
241.39265	0.6
249.22266	1.0
275.20007	0.8
293.21225	57.3
294.21533	4.8
311.22275	7.7
345.57877	0.5
353.23465	0.6
431.27216	0.5
473.27542	100.0
474.27869	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	473.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25473	0.8
58.44510	0.9
59.01392	0.8
69.79333	0.8
69.86243	5.1
111.78532	0.9
121.06637	3.7
133.06654	2.1
134.23969	1.0
149.09715	100.0
150.10049	4.7
163.11444	1.0
205.15970	8.4
255.11707	0.9
297.18552	1.9
298.19165	0.9
311.20145	24.4
312.20667	2.7
323.20145	22.0
323.23590	1.2
324.20624	2.2
441.78622	0.9
457.25256	4.2
473.30542	90.2
474.31039	12.0
497.86649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.5
61.98829	2.7
66.28544	1.9
70.91615	3.4
72.23186	1.8
79.99091	2.0
97.95997	1.8
128.67062	2.0
163.67877	1.8
205.16060	2.9
211.65645	1.8
232.41290	1.9
243.16559	1.7
255.23209	2.5
279.23285	100.0
280.23596	6.6
295.42871	1.8
431.57990	1.9
431.71744	2.6
473.27948	17.1
473.33820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07937	0.5
54.15877	0.4
54.86752	0.5
55.95928	0.4
59.01368	1.3
78.95899	100.0
81.63596	0.5
82.75994	0.5
96.96958	7.5
99.73494	0.5
102.03840	0.5
113.35381	0.5
122.00142	0.7
139.73547	0.5
140.01199	4.3
152.99573	14.9
161.64851	0.5
171.00626	15.4
196.03798	7.4
214.04836	1.9
260.34531	0.5
277.21704	58.6
278.22052	4.9
310.66525	0.6
400.22461	1.6
474.26227	64.5
475.26602	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33746	0.2
50.88831	0.3
52.53107	0.3
53.04624	0.2
59.01362	1.1
70.80939	0.6
78.95905	11.4
85.12644	0.2
96.96969	0.5
119.24104	0.2
122.00112	0.3
126.42910	0.2
140.01195	2.6
141.24277	0.3
151.41182	0.2
151.79913	0.3
152.99603	1.8
171.00633	0.9
172.90147	0.2
196.03827	1.3
211.82256	0.2
214.04839	3.4
229.26065	0.3
233.22856	0.3
275.20007	0.4
277.21713	100.0
278.22064	8.9
332.41220	0.2
434.99319	0.3
457.26349	0.4
472.63986	0.3
474.26236	10.3
475.26724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46408	0.6
58.38789	0.5
59.01378	97.1
60.01732	0.8
61.98823	1.9
71.01382	4.3
73.02957	0.9
77.58899	0.6
83.01415	0.6
85.02966	1.7
87.00897	0.7
89.02454	2.1
91.04001	0.7
95.01425	0.7
101.02468	3.1
101.34232	0.5
103.05534	1.0
105.28471	0.5
113.02464	1.8
115.34436	0.7
119.05010	1.2
147.04515	100.0
148.04860	3.5
161.04712	0.8
167.40889	0.6
253.87764	0.5
292.03448	0.6
295.22635	1.4
309.09875	3.2
313.23923	0.9
341.23407	1.8
341.43161	0.6
362.41794	0.6
475.29138	13.2
476.29205	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
65.72653	0.5
69.39693	2.3
71.01367	0.7
84.52347	0.3
98.63091	0.3
99.08109	0.3
101.02425	0.3
117.22339	0.3
127.07600	0.3
145.02937	0.4
169.06503	0.4
195.04459	0.4
196.05287	1.5
197.06084	8.3
198.06400	0.9
199.03940	0.9
212.04675	0.4
213.05568	1.9
223.03973	0.5
224.04790	4.2
225.05251	0.4
239.07112	4.2
240.04263	25.0
241.04982	10.2
245.18092	0.3
255.06602	70.0
256.07333	30.5
257.07840	1.8
271.09735	100.0
272.10095	6.8
415.13904	1.0
433.15030	0.4
475.15689	0.7
475.29434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
61.98832	3.1
65.80415	0.5
71.01383	12.4
71.49347	0.5
72.99331	0.8
87.00882	10.4
87.04519	1.5
89.02442	3.5
93.32709	0.5
94.62540	0.5
96.96023	0.6
101.02441	0.9
108.93726	2.4
114.01965	0.6
119.05042	0.7
133.05069	100.0
134.05418	2.0
135.04530	2.0
136.74124	0.5
149.06093	1.2
163.03932	0.7
164.01323	0.6
165.05603	0.6
166.66994	0.5
177.04466	0.5
179.05673	1.2
191.82848	0.4
192.95811	0.9
207.02914	0.5
217.03705	0.5
223.06085	1.2
234.96846	0.8
385.11386	0.7
400.60306	0.6
415.04138	0.5
415.09412	1.2
475.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90270	0.7
55.01883	0.9
58.00560	0.8
59.01377	27.1
61.98827	1.4
71.01382	14.2
71.50829	1.2
72.99304	1.8
73.02921	1.8
75.00881	1.1
83.01392	1.1
85.02952	3.3
87.00880	1.2
89.02447	8.5
90.75502	0.6
95.01393	1.3
101.02431	7.5
104.05063	2.5
105.45418	0.6
106.06612	2.9
111.00860	0.8
113.02442	5.6
115.00380	0.7
119.03477	2.1
122.06084	1.2
123.04523	0.7
134.06114	19.8
134.40749	0.6
135.02951	2.6
135.06424	1.0
136.04066	1.1
147.04506	0.7
148.04033	28.3
149.04341	0.8
152.07132	0.8
153.05516	0.9
160.04028	10.0
161.04610	1.3
162.64946	0.6
174.05602	4.9
218.07651	0.8
233.10011	1.2
237.06584	0.8
250.23787	0.6
267.11337	8.9
269.08078	0.7
277.09000	1.5
295.10846	42.1
296.11121	3.0
296.65991	0.7
340.01791	0.7
357.09845	0.7
447.17554	2.1
475.17120	100.0
476.17532	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	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.3
71.01382	2.5
89.02435	1.3
101.02429	1.6
111.44365	0.7
113.02419	0.7
119.05076	0.6
129.44547	0.5
133.01468	0.6
135.04532	1.0
145.02951	1.1
146.03723	35.5
147.04210	1.2
161.04721	1.0
161.06058	11.7
163.04027	1.0
164.04776	23.7
165.05092	1.4
179.07124	100.0
180.07466	5.2
226.06363	1.3
229.94826	0.6
241.08641	1.5
248.20403	0.6
383.89996	0.6
415.15717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01516	4.1
52.90051	4.3
59.01379	8.7
61.98841	5.1
69.49149	4.0
69.97922	4.9
70.26267	18.3
71.01383	20.6
77.74389	4.5
89.02424	5.5
101.02451	6.3
103.99016	5.6
113.02462	6.6
192.67795	4.5
201.33328	4.4
277.18887	8.8
277.21692	100.0
278.22079	8.5
279.23169	8.1
281.61685	4.5
290.51068	5.3
296.30264	5.3
300.93683	4.3
319.22675	20.5
349.24109	6.7
475.26178	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	475.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	26.0
69.76128	47.7
69.76561	38.4
71.01421	15.3
277.21704	100.0
340.02975	13.8
347.32645	14.8
471.77982	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	475.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76839	100.0
72.52867	18.6
76.73364	16.9
78.72832	19.9
84.78622	19.4
244.17601	20.9
277.21555	26.9
279.23260	27.0
288.27316	21.6
303.26309	18.8
399.25949	20.3
455.14877	24.5
473.62985	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	1.4
61.98828	5.2
69.54401	1.7
69.54808	0.9
71.01372	3.1
73.02953	1.4
75.21350	0.4
83.01385	0.5
85.02982	1.0
89.02446	3.1
101.02453	2.2
107.93664	0.4
111.00902	0.7
113.02466	2.1
119.03508	0.8
119.05025	0.4
122.40459	0.4
161.04616	0.5
179.05666	0.9
221.12061	0.5
355.28836	0.5
389.13797	0.5
415.23605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32450	0.5
57.29345	0.6
59.01377	100.0
60.01703	1.4
61.01804	0.6
61.98832	4.5
67.54465	0.6
71.01378	3.4
71.50864	0.8
80.77180	0.6
85.02950	0.9
89.02467	2.2
97.65907	0.6
101.02469	2.0
113.02467	1.8
115.34055	0.6
119.03488	0.8
153.05663	0.8
153.09666	0.7
161.04553	0.6
323.02948	0.6
348.44714	0.6
356.56592	0.8
401.79935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01377	0.6
61.27952	0.2
61.98830	0.3
62.96400	0.2
71.50610	0.1
77.26259	0.1
78.95900	32.0
92.49842	0.2
94.15079	0.1
96.96969	2.2
122.00125	0.2
140.01172	2.5
152.99577	4.9
171.00639	4.8
171.02124	0.3
196.03769	1.3
214.04839	2.8
239.20171	0.2
240.20511	0.2
242.01921	0.1
243.03046	0.2
261.22205	0.4
271.02573	0.2
279.23267	100.0
280.23611	9.1
402.24005	0.4
476.27795	21.3
477.10281	0.3
477.28250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	0.9
66.06102	0.8
69.34144	5.0
69.34570	2.4
77.23193	0.8
101.87538	0.8
129.20000	0.7
151.00360	2.7
178.99759	0.8
199.03964	3.7
201.02000	1.3
203.03453	0.9
215.03426	4.3
225.01884	0.9
226.02664	1.5
227.03445	2.5
229.01254	1.1
241.82370	0.8
242.02171	9.9
243.02939	40.0
244.03333	2.9
257.04559	12.5
270.01685	12.4
271.02444	43.5
272.02737	2.6
285.03995	22.9
286.04730	7.1
299.01913	7.8
300.02661	6.5
314.04297	44.4
315.04962	10.2
337.21530	0.8
372.28354	0.8
477.10324	100.0
478.10696	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	477.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44749	0.9
57.03440	2.6
59.01374	11.8
61.69931	1.1
67.21211	1.1
68.43181	1.1
69.61972	5.8
69.62389	2.1
71.01366	2.2
72.99301	8.6
85.02933	1.3
89.02484	1.4
90.52827	1.0
99.08150	15.0
99.92554	1.1
115.92052	3.5
116.92820	1.2
124.01614	2.2
125.02444	2.2
127.07640	20.6
129.05568	20.6
151.00293	1.6
153.05534	6.2
166.05103	1.7
168.00601	1.8
171.06606	3.9
182.07326	1.1
199.03966	3.1
199.14594	1.1
201.01761	1.2
203.03448	1.2
210.06831	32.0
211.07207	1.9
215.03506	2.6
223.07431	1.8
225.09157	6.3
226.06400	5.6
227.03397	3.2
238.06332	47.2
239.06720	3.6
241.08574	1.3
242.02246	7.5
242.05829	6.1
243.00426	1.8
243.02954	33.0
244.03339	2.7
253.08665	100.0
254.05788	12.3
254.08986	9.1
255.06091	1.4
256.07391	7.7
257.04520	9.2
269.08163	37.9
270.01596	8.3
270.08484	3.0
271.02423	36.5
271.09692	6.5
272.02832	2.4
273.11404	1.5
285.03986	21.2
286.04596	5.7
297.07635	20.1
298.07727	2.3
299.01862	13.5
300.02487	2.8
314.00702	2.3
314.04279	36.4
314.07874	2.3
315.04865	9.7
315.08664	3.3
339.69989	1.4
351.01968	1.2
459.12961	51.8
460.13187	5.0
477.10147	64.2
477.14404	30.2
478.10403	6.9
478.14868	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	477.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64885	0.5
57.03444	0.5
59.01377	9.9
61.98812	1.9
69.03437	0.4
70.02959	0.5
70.86614	0.4
71.01382	3.3
71.04595	0.5
71.50394	0.5
72.99286	0.9
73.02929	0.7
75.00859	1.2
78.56106	0.5
81.31854	0.4
83.01366	0.8
83.05003	0.4
85.02911	0.8
87.00856	0.6
89.02408	2.3
93.03451	1.1
95.01362	0.7
96.72675	0.4
99.00844	0.7
101.02428	1.5
107.01346	0.6
108.02165	10.0
109.02963	0.5
111.00877	0.8
113.02427	1.1
117.77327	0.5
119.03502	0.8
120.02138	1.3
121.02948	2.0
123.04517	0.6
124.01656	0.9
125.02486	1.0
132.02162	1.0
133.02979	0.8
134.40163	0.4
135.00877	5.4
136.01675	3.2
137.02429	9.3
149.02402	2.0
150.05556	0.8
151.00443	0.7
153.01933	1.1
161.02414	0.6
161.04494	1.5
163.00363	7.9
164.01141	30.6
165.01921	6.1
174.03311	0.5
175.02394	0.6
176.01132	0.9
177.01915	19.9
178.02237	0.7
179.05539	1.0
187.03838	0.6
192.00616	3.1
193.01323	2.5
197.06090	0.6
199.03931	0.8
213.05498	0.7
225.05400	0.7
227.03436	0.7
235.08040	0.8
241.05104	0.6
242.02089	1.2
242.05855	4.0
243.02911	3.9
247.06110	2.9
253.05151	0.5
257.04709	0.8
268.03702	1.0
269.04538	8.9
270.01871	1.0
270.05170	2.1
271.02420	3.9
271.05917	1.4
285.04083	1.2
286.04550	0.7
299.01886	1.4
300.02670	1.4
314.04285	37.3
315.04886	6.1
357.06052	0.9
415.13580	0.4
417.21268	1.0
477.10321	100.0
478.10587	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	477.1033
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.48092	0.5
51.29825	0.4
59.01372	4.5
59.77448	0.4
60.17976	0.4
61.98829	2.2
69.34309	3.4
71.01369	1.9
83.01377	0.9
85.02925	0.5
89.02422	1.5
101.02365	0.5
107.01366	1.3
108.04575	0.6
113.02425	1.0
115.19632	0.4
125.02405	0.5
133.02942	0.5
148.04045	0.7
149.04807	1.1
150.05586	4.0
151.00357	5.1
156.61607	0.4
161.04625	0.5
163.00331	0.6
171.04449	0.9
178.99860	0.9
197.02406	0.6
199.04013	4.3
201.01875	2.3
203.03557	0.7
204.04152	0.8
215.03519	3.4
226.02708	1.0
227.03461	3.7
228.03937	0.5
229.01233	0.7
242.02155	11.4
243.02945	41.7
244.03342	2.4
255.02902	1.0
255.06700	0.6
257.04538	12.2
258.04868	0.7
266.09189	0.5
270.01660	10.5
271.02441	40.7
272.02869	3.9
283.02411	0.6
285.04031	22.8
286.04678	7.4
287.05280	1.1
299.01968	7.8
299.08737	0.5
300.02679	12.1
301.02988	0.9
313.03549	1.8
314.04263	48.4
315.05026	22.6
316.05356	1.4
329.06497	0.5
357.06210	1.9
361.09131	0.6
477.10333	100.0
477.18198	4.3
478.10587	11.5
478.17197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1343
Annotation	(-)-Blestriarene C
Peak:m/z	Relative Intensity
59.01379	2.5
69.42594	0.4
76.15685	0.4
95.80882	0.4
115.43760	0.4
124.83853	0.4
141.22604	0.4
155.39558	0.4
167.05013	1.0
195.04573	2.2
213.05533	0.9
223.04025	0.7
271.02353	0.5
277.91730	0.4
283.27042	0.4
314.04202	0.9
343.24841	1.0
347.10809	1.2
351.10251	1.2
362.09500	0.5
363.10065	1.9
375.10233	9.4
376.10522	1.1
377.08099	6.5
378.08090	1.0
379.09915	3.2
380.10208	0.6
390.08969	2.5
391.09747	11.2
392.10187	1.1
401.08084	1.1
402.08972	0.7
403.09753	3.0
415.09827	0.6
418.08490	0.7
419.09232	34.0
420.09644	4.9
429.07730	1.7
430.08398	10.5
431.08923	1.7
434.11688	2.8
443.09665	0.5
445.11121	1.1
446.07965	1.1
447.08707	44.1
448.09039	5.5
462.11078	20.4
463.11432	2.9
477.13422	100.0
478.13748	14.7
495.85294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1339
Annotation	(-)-Blestriarene C
Peak:m/z	Relative Intensity
59.01352	0.9
60.11603	0.5
61.98803	1.3
71.51015	0.7
72.74987	0.5
78.95892	1.6
89.84683	0.6
96.95969	0.8
119.98198	0.6
121.02989	0.7
142.04211	1.2
144.06123	0.6
145.02931	5.7
154.04202	0.8
166.04213	2.2
169.02943	7.2
170.03661	1.0
180.05757	0.8
181.87915	0.7
182.03716	5.1
186.03242	1.0
195.04465	2.8
197.06091	1.3
198.03088	0.8
208.05316	1.3
209.05814	0.6
210.03200	35.2
211.03615	2.4
213.01920	3.5
214.02765	3.6
223.04027	4.0
224.04742	7.5
225.05579	4.8
226.06271	6.1
235.04013	1.0
236.04805	1.3
237.01909	33.8
238.02673	39.9
239.03108	3.2
241.08640	4.7
243.03027	1.4
252.04242	4.1
253.05029	100.0
254.05339	6.5
271.02399	2.1
279.23199	1.9
280.23590	1.5
314.04272	1.0
353.35709	0.7
362.08990	0.8
375.10187	1.3
386.09674	0.7
387.10458	1.0
390.08948	0.7
403.09579	2.3
414.09204	0.8
415.09689	1.1
445.10626	0.9
446.11456	1.6
447.12134	1.5
448.13303	1.1
449.13745	1.8
462.10873	1.1
477.13464	74.9
478.13721	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80989	1.1
57.03430	3.1
59.01384	10.6
69.22059	10.7
71.01381	1.7
72.99313	7.1
76.27922	1.3
85.02959	1.9
93.91351	1.3
99.08154	15.0
115.31089	1.3
115.92061	2.5
116.92882	1.7
121.02955	1.3
125.02470	3.0
127.07639	16.8
129.05574	18.3
151.00349	2.2
153.05560	4.8
158.69119	1.3
164.18433	1.3
168.00720	1.8
171.06586	6.5
182.07434	2.5
199.03981	2.9
201.01970	2.5
210.06860	33.4
211.07193	1.6
215.03442	4.2
223.07536	2.3
224.08266	1.4
225.05486	2.0
225.09145	4.8
226.06348	6.6
227.03470	4.7
238.06337	51.9
239.06769	3.5
242.02238	7.4
242.05879	6.6
243.02960	37.4
243.04951	0.8
244.03300	2.7
253.08665	100.0
254.05798	13.7
254.08998	8.1
255.06590	1.5
256.07373	8.6
257.04523	9.7
269.08173	36.3
270.01712	11.7
270.08334	2.1
271.02432	39.6
271.09882	6.3
272.02802	2.4
285.04037	20.0
286.04666	6.4
297.07593	23.0
298.07785	2.1
299.01907	12.8
300.02682	5.2
301.43063	1.9
314.04282	39.2
315.04944	11.0
315.08719	6.6
459.12930	47.0
459.19260	3.0
460.13351	4.4
477.10208	64.4
477.14502	30.0
477.95782	1.5
478.09583	12.4
478.15167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06321	0.8
59.01377	3.5
61.98840	1.0
71.01385	2.4
71.48628	1.5
72.99310	4.1
75.00872	31.0
89.02432	5.8
117.01947	2.1
135.03000	100.0
136.03314	1.8
179.05577	1.6
268.51901	0.9
341.10980	2.2
360.76828	0.9
477.10364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
59.23135	0.7
61.69299	0.6
65.82654	0.9
69.54605	2.2
69.55020	2.4
71.01384	3.1
72.37584	0.6
72.99311	3.4
75.00873	34.5
89.02441	5.6
98.19937	1.5
106.38233	0.7
108.02110	0.7
108.61953	0.7
110.90416	0.8
117.01934	3.2
133.05060	3.3
134.05432	1.0
135.03000	100.0
136.03305	1.3
161.04607	1.4
168.49173	0.8
172.79012	0.7
179.05623	5.3
179.97687	0.7
314.04398	0.9
314.63937	0.7
353.13095	0.8
477.10779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Scroside D
Peak:m/z	Relative Intensity
53.76340	0.6
58.00582	1.3
59.01378	31.9
61.98817	1.6
62.35195	0.5
69.69833	2.1
69.70269	1.4
71.01381	19.5
71.08211	0.6
72.97472	0.6
72.99287	1.6
73.02946	0.8
74.73737	0.5
75.00864	0.6
77.35433	0.5
79.29316	0.5
83.01371	1.4
85.02960	3.9
85.56657	0.5
87.00872	1.4
89.02448	21.9
90.02723	0.5
93.03433	0.7
95.01385	1.5
96.96006	2.5
98.20630	1.2
99.00893	0.8
99.84360	0.6
101.02439	15.8
107.90468	0.6
113.02453	7.6
118.98074	1.4
119.03504	7.3
121.02937	0.5
123.04536	3.0
131.03511	0.7
135.04520	37.5
136.04872	1.5
143.03531	1.0
149.04549	0.7
151.00366	0.5
152.01176	0.6
153.01942	1.2
153.05563	3.6
161.04497	0.6
179.05553	1.0
187.24344	0.5
242.02304	0.9
243.02942	1.7
257.04559	0.7
270.01862	0.8
271.02472	1.5
285.04111	1.1
286.04803	0.7
300.02545	0.8
314.04263	3.1
315.10846	100.0
316.11102	7.1
477.10068	6.6
477.16382	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	477.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34542	0.7
59.01371	3.4
61.98825	1.1
69.34912	5.8
71.01373	1.1
76.60429	0.7
77.34213	0.8
93.03445	3.6
95.01366	0.9
99.08125	0.7
101.02408	1.2
105.09006	0.8
108.02156	1.2
120.02161	1.1
121.02953	49.3
122.03806	7.2
124.01706	0.9
125.02391	1.2
127.07642	0.8
129.05583	1.5
136.01703	0.9
136.05267	2.2
137.02417	2.1
137.06078	4.6
149.02460	2.6
151.00452	1.0
151.03998	11.8
151.07607	1.1
153.01884	2.0
153.05550	1.2
154.02740	1.1
161.04604	0.9
199.04071	1.3
227.03490	1.0
242.02103	0.9
243.02916	7.1
243.06689	1.3
255.02991	2.0
257.04532	1.3
258.08960	28.7
259.09384	1.7
270.01703	1.3
271.02481	8.9
273.11310	100.0
274.11676	7.9
285.04099	3.0
299.01901	8.3
300.02679	2.8
314.04431	9.7
315.05075	10.4
316.05371	1.3
417.15475	1.8
477.10352	14.1
478.10510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43169	0.4
56.64664	0.5
57.03443	0.5
59.01381	100.0
60.01721	1.3
61.98825	1.0
67.50166	0.4
68.53026	0.4
71.01379	3.6
71.50861	0.5
72.99298	0.4
73.02959	1.6
83.01398	0.8
85.02966	2.1
89.02442	1.1
95.01382	0.6
96.56304	0.4
101.02460	2.7
113.02464	1.8
122.72643	0.5
129.05588	0.9
139.81694	0.4
143.03563	0.5
152.99680	0.6
161.04611	2.5
164.32359	0.4
197.06111	1.9
199.76033	0.5
225.05557	9.1
227.03410	0.5
237.79584	0.5
240.07936	16.6
241.08342	0.8
243.02965	2.1
255.07513	1.0
255.10268	19.8
256.10675	1.3
271.02545	1.0
273.11423	0.6
273.24484	0.8
300.05377	0.6
314.04343	1.4
315.04764	0.5
316.08563	0.5
317.19534	3.6
347.20798	1.0
387.05563	0.5
417.28711	1.9
435.29752	2.4
477.10587	2.7
477.26746	1.9
477.31030	1.7
478.13611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84877	0.3
57.03447	10.3
59.01376	36.0
60.01704	0.9
61.98825	1.4
69.50262	2.2
71.01379	3.3
71.04984	0.3
73.02947	2.4
80.05035	0.5
81.07102	0.5
83.01381	0.8
83.05013	1.0
85.02921	1.7
85.03851	0.3
89.02448	0.9
98.19998	0.7
99.08153	57.3
100.08495	1.6
101.01785	0.5
101.02429	3.8
101.06075	1.9
109.06571	0.9
113.02452	1.8
114.88831	0.3
119.03500	0.4
121.02927	1.3
122.06076	1.0
123.04482	0.4
125.02449	0.5
127.07649	67.3
128.07983	1.9
129.05574	100.0
130.05896	2.2
138.03210	1.2
143.03419	0.3
143.07156	0.4
149.04500	0.9
151.00340	0.7
151.03983	0.7
153.05565	40.7
154.05905	1.3
161.04573	2.2
166.05101	2.0
171.06615	15.9
172.06967	0.4
173.47630	0.3
189.07770	0.6
199.03880	0.8
201.01927	0.6
203.05566	0.6
215.03467	0.8
221.06624	0.7
227.03438	0.7
242.02206	1.2
243.02966	7.1
244.03331	0.4
255.03210	0.3
257.04538	2.1
258.09024	0.7
263.11328	1.4
270.01581	2.0
271.02451	8.4
272.03012	0.5
273.11243	3.6
281.92105	0.4
285.03998	3.9
286.04691	1.9
299.01849	1.5
300.02698	1.1
305.12396	5.7
314.00702	0.6
314.04285	7.4
315.04941	2.5
417.25430	0.4
459.18652	3.6
460.18848	0.4
477.10373	17.3
477.19748	25.7
478.10666	2.2
478.19885	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.9
59.01381	37.8
61.71500	0.6
61.98835	6.0
62.16422	0.7
64.06323	0.7
69.59479	1.3
69.59882	2.8
71.01377	4.2
73.02943	1.9
83.01363	0.8
83.05023	1.6
85.02952	1.9
89.02445	1.9
96.30164	0.7
99.08158	60.8
100.08509	1.5
101.02428	3.8
101.06069	1.6
109.06620	1.1
113.02486	1.7
127.07649	71.1
128.07990	2.5
129.05579	100.0
130.05881	3.3
138.03188	0.9
140.88884	0.8
143.03502	0.7
149.04568	1.3
152.09839	0.7
153.05573	44.8
154.05911	1.3
161.04556	2.4
171.06625	18.1
177.01648	0.7
193.39436	0.8
213.05644	1.1
221.06657	0.8
240.04160	1.2
241.04974	1.5
243.03006	2.8
255.06602	4.6
256.07379	2.5
263.11288	1.2
270.42035	0.8
271.02484	2.7
285.04114	1.8
286.04361	0.8
300.06406	1.3
305.12396	6.7
314.04483	3.3
314.07660	1.0
315.08716	1.5
435.64532	0.7
459.18561	3.5
468.10440	0.7
477.09781	3.5
477.13824	5.1
477.19800	29.3
478.20413	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.0
60.99301	8.7
61.98820	3.7
66.60023	2.2
71.01379	7.7
71.50515	3.9
85.02928	2.6
85.57808	1.8
87.00893	2.6
87.05644	4.6
87.49254	2.2
88.98813	61.8
89.02448	100.0
93.03426	2.3
101.02445	6.2
113.02443	3.6
115.00381	4.3
119.03512	2.3
121.02951	2.9
128.04890	2.2
133.01445	4.5
135.04546	2.3
144.07813	3.2
147.04546	3.0
164.89870	2.1
165.05502	4.0
167.03584	2.0
172.10898	6.2
197.06139	4.4
213.09158	3.3
229.12488	3.2
236.98874	2.5
241.14392	2.4
255.06595	2.4
269.00851	6.7
297.00336	7.5
297.49133	2.4
317.10156	5.0
329.11279	2.9
361.08975	4.6
375.84579	2.8
418.60660	2.2
448.21991	8.0
477.06552	2.7
477.14078	3.5
477.23157	4.2
477.29004	3.2
478.23163	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26012	1.7
57.44596	2.0
59.01374	28.8
60.99277	3.7
61.98819	6.2
70.12231	1.8
71.01379	14.8
71.50212	2.1
72.99300	3.5
73.02940	4.6
83.01402	1.7
85.02930	3.9
87.00860	5.5
88.98807	27.1
89.02438	35.5
94.63176	1.8
99.00890	2.0
101.02457	11.1
105.01908	2.0
113.02431	4.4
115.00349	2.9
133.01407	3.6
141.60573	1.9
150.03247	2.5
153.05542	14.7
161.04646	2.4
165.05533	3.1
169.12305	13.8
172.08803	3.4
193.05084	3.7
195.08122	2.2
195.13960	2.1
197.06024	6.3
197.11830	24.2
198.06697	7.1
213.09134	3.7
213.14909	9.4
214.09795	2.5
228.88638	1.8
235.08731	1.8
239.09322	1.8
241.07289	40.4
241.14467	24.7
242.08086	45.7
243.08780	29.7
253.09210	9.6
255.06558	2.0
257.00906	16.3
257.08063	2.5
257.10410	5.5
261.00323	5.7
271.02475	3.1
299.01834	2.8
299.09302	2.2
311.11356	7.6
314.04263	3.1
317.10233	3.8
359.13635	3.5
361.09238	4.8
377.14612	100.0
378.14886	8.2
477.06393	7.3
477.16336	43.2
478.16718	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	477.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47912	0.2
54.81147	0.2
55.01868	0.2
55.55123	0.2
55.81543	0.1
57.03421	0.2
58.00598	0.2
59.01374	5.2
59.33177	0.2
61.98827	0.5
66.18414	0.2
71.01382	4.1
72.99294	0.2
73.02943	1.0
78.95906	0.4
80.71336	0.1
83.01379	0.4
85.02954	1.0
87.00880	0.7
89.02438	3.2
95.01367	0.2
96.96016	0.3
97.02927	0.3
98.19881	0.4
99.00882	0.3
100.88358	0.2
101.02441	4.6
113.02451	1.6
119.03473	1.1
125.02397	0.2
129.46930	0.2
133.05037	0.3
143.03491	0.5
148.53163	0.2
152.99599	0.4
157.05128	0.2
161.04521	1.4
164.89526	0.2
179.05667	0.4
198.86102	0.2
229.06755	0.2
235.08194	1.4
241.21704	100.0
242.22041	6.9
243.03073	0.4
253.09265	12.1
254.09656	0.3
271.02505	0.3
277.21857	0.9
278.85672	0.2
285.04013	0.3
314.04340	0.5
319.22696	0.2
356.13470	0.2
409.63989	0.2
466.17038	0.2
477.10324	0.6
477.35800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06998	0.7
51.22279	0.8
59.01376	100.0
63.16816	0.7
66.28101	0.7
70.36526	1.9
70.36929	1.6
71.01385	3.6
85.02936	1.2
89.02456	1.9
96.96032	1.0
98.19936	0.7
101.02420	2.8
104.25003	0.8
113.02448	4.8
115.05277	0.7
117.94290	0.8
119.03478	1.7
139.93822	0.8
153.08025	0.8
161.04517	1.7
225.13695	0.8
255.23274	94.3
256.23627	4.9
269.24854	3.1
297.24460	1.3
314.04251	1.1
345.94336	0.9
405.68222	0.8
477.10547	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	478.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08533	1.0
53.94922	1.0
54.89086	1.2
58.06112	1.1
59.01367	3.0
61.98814	4.5
69.23396	7.8
69.23814	2.7
71.01370	3.0
72.00909	2.5
72.99303	2.1
73.04066	12.4
85.04067	1.3
87.05624	17.2
89.02434	7.1
91.05514	3.9
93.03518	1.1
97.04045	2.1
99.01999	2.3
108.03236	1.9
111.01943	1.2
111.05640	1.5
113.02621	1.0
113.03539	1.6
113.07196	1.3
114.01907	1.1
115.08742	2.4
116.07198	1.1
123.09258	2.7
123.59586	1.1
125.02464	2.0
126.06698	2.4
127.05119	11.0
127.07654	1.7
127.08733	1.2
134.44122	1.1
137.07181	4.4
144.04662	1.3
144.07776	28.5
147.04517	9.2
151.08772	8.0
154.09839	5.0
155.08246	6.4
156.07784	3.0
164.07153	19.1
169.09816	2.7
172.10905	46.2
173.09183	1.2
173.11174	1.8
174.08879	3.3
177.03259	1.6
177.10298	6.2
182.12971	1.8
191.15948	1.1
194.09291	2.4
203.08266	2.2
206.15977	1.0
221.09291	6.6
225.13454	5.9
229.13039	2.4
235.69424	1.0
241.04938	3.5
243.14502	1.9
256.07285	4.2
257.16116	1.2
259.09583	1.9
259.14453	1.7
276.17111	5.8
289.07172	2.9
298.15573	5.1
299.05664	1.6
302.15024	2.1
320.16202	1.6
333.19363	2.7
358.27148	1.3
373.22394	1.7
404.22977	4.9
419.13452	4.1
448.21973	59.3
449.22192	6.1
460.21976	17.2
461.22177	2.2
478.23029	100.0
479.12109	1.8
479.23276	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36980	0.3
61.98799	0.3
69.23045	2.2
69.23452	0.6
78.95901	7.0
140.01170	1.9
152.99594	1.2
185.15576	0.3
196.03755	0.9
214.04849	2.4
241.21678	0.5
242.22028	0.6
281.24829	100.0
282.25204	8.2
478.29333	8.5
479.14780	0.4
479.29996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1194
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
52.48284	1.1
57.03441	3.6
59.01377	25.3
61.98828	7.1
63.02395	2.0
64.95223	1.2
65.00313	4.1
69.62395	1.1
71.01370	8.3
71.50410	1.4
72.99287	1.9
73.02937	1.9
73.23963	1.1
81.03459	2.6
83.01381	5.7
83.53139	1.0
85.02927	1.8
86.73808	1.3
87.00826	1.3
89.02430	4.9
93.03439	1.9
95.01386	6.5
97.02945	1.4
101.02430	4.3
107.01366	5.1
108.02143	3.9
108.04560	1.6
109.02911	3.5
111.00848	3.4
113.02441	1.8
119.03489	1.8
121.02962	2.7
122.03699	1.8
123.00890	7.3
123.04498	4.1
124.01652	11.3
124.04034	1.5
125.02438	36.4
136.01651	2.5
137.02429	3.1
139.00209	1.4
139.03983	1.2
147.00850	1.2
148.01663	1.6
149.02441	2.1
151.00351	26.8
151.03961	5.9
152.01134	16.1
152.03485	4.2
153.01929	10.3
161.02501	1.9
163.00404	2.3
163.03952	2.5
165.01917	3.5
165.05505	1.3
167.03331	1.7
175.00278	3.1
175.02481	2.1
176.01045	3.7
178.99831	23.6
179.03404	1.4
181.01381	2.0
187.03987	2.7
188.04839	1.8
191.26807	1.1
195.02797	1.2
202.06317	2.4
207.06635	2.2
208.05162	1.6
211.06038	4.0
213.05470	1.6
213.16310	1.1
216.04155	1.2
224.04738	5.4
229.05013	1.8
230.05812	9.7
231.06465	2.8
239.07080	3.5
245.08183	6.6
256.03668	2.2
257.04492	1.4
257.08163	19.9
258.05219	3.4
258.08231	1.4
272.06799	3.8
273.07632	7.0
274.04813	11.1
287.09241	12.3
289.07153	100.0
290.07449	8.0
298.04858	1.6
299.05457	1.8
303.08615	1.7
313.07132	27.0
316.05469	1.9
317.03470	1.6
317.06586	44.2
317.10260	12.7
318.06970	2.1
331.08228	11.7
341.05542	1.2
343.08057	4.3
451.12372	28.1
452.12744	2.9
479.11224	11.1
479.17416	2.1
480.15274	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75943	0.7
61.98831	1.5
62.11685	0.7
70.60690	1.4
70.61019	1.5
79.92311	0.7
80.66723	0.6
96.73962	0.7
96.93562	0.7
96.96007	0.7
116.06345	0.7
146.06087	0.7
147.13612	0.8
181.06573	2.0
183.04488	2.8
195.04515	5.9
196.05272	10.5
197.05952	2.1
216.09038	0.6
223.03973	6.3
224.04771	20.4
225.05551	40.7
226.05908	3.2
238.06314	1.3
252.52132	0.8
403.09802	1.9
406.08203	1.0
421.11035	2.6
431.09140	1.8
432.09949	9.0
433.10532	1.1
436.13132	8.8
446.11560	1.5
447.12418	11.4
448.12878	1.5
449.10287	2.0
463.11859	20.6
464.12598	23.7
465.13181	3.2
472.02692	0.9
479.15009	100.0
480.15408	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	479.1496
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
51.29073	0.4
59.15933	0.4
70.14301	0.9
70.14698	0.9
75.51754	0.4
78.95886	1.4
93.23876	0.4
112.68871	0.4
139.56476	0.4
149.13809	0.4
152.99586	2.6
180.05811	0.6
183.04465	0.5
195.04536	4.2
196.05254	2.6
199.02159	0.5
211.13431	0.7
223.04001	4.3
224.04765	13.5
225.05513	6.1
226.06235	0.4
237.05589	2.9
238.06277	4.8
239.07121	2.1
264.04266	0.8
277.05215	0.5
307.08163	0.5
351.10272	0.5
359.51407	0.5
362.09525	0.5
363.10092	1.5
377.07764	0.7
377.11951	1.0
379.09686	5.8
380.09894	0.6
380.56927	0.4
391.09961	0.6
392.10498	0.5
393.11124	2.1
394.12149	1.9
403.09799	1.8
404.10501	0.6
406.08429	2.0
407.08719	0.5
412.88193	0.5
419.08975	0.7
420.10162	0.7
421.10791	9.5
422.10861	0.9
430.08649	1.6
431.08994	3.7
432.10019	6.1
433.10324	1.1
435.98007	0.4
436.13107	3.1
445.10757	1.7
446.11554	1.0
447.12381	5.1
448.09360	7.3
449.10126	6.5
450.10657	0.6
463.11859	11.6
464.12543	14.0
465.13058	1.6
479.14963	100.0
480.15289	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	479.1495
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
53.08377	0.6
60.10860	0.6
61.69923	0.7
69.82257	3.3
71.85919	0.5
77.18066	0.7
83.57138	0.6
84.34080	0.6
99.75007	0.7
133.82271	0.7
150.06895	0.8
151.07153	0.8
181.06586	2.4
183.04541	3.2
195.04495	2.3
196.05286	13.3
197.05797	1.5
203.80917	0.5
209.06107	0.6
211.04010	5.1
223.04042	1.7
224.04767	19.4
225.05542	18.8
226.06154	1.4
227.23921	0.7
237.05511	2.3
238.06329	1.9
239.03516	6.8
239.07205	2.1
314.31833	0.6
316.12830	0.7
321.74960	0.6
359.10745	0.8
375.10303	1.4
377.11819	2.0
379.09744	2.4
387.10190	1.3
390.09085	0.8
393.11301	2.3
403.09680	2.7
404.10425	1.5
405.11298	9.8
406.11545	1.6
407.08896	1.0
408.09744	0.7
415.09702	3.1
421.10818	6.1
422.11240	1.0
430.08508	1.4
431.09277	5.0
432.09930	14.3
433.10736	23.7
434.11313	2.8
436.13113	2.0
447.12402	5.9
448.09427	2.0
449.10278	12.6
450.10773	1.3
463.11896	5.9
464.12595	52.5
465.12912	7.0
479.14975	100.0
480.15286	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	479.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
131.51053	0.4
143.04999	0.5
183.04555	0.9
196.05298	0.8
197.06105	2.8
209.06067	0.8
211.13489	0.5
224.04793	2.0
225.05423	0.9
228.98827	0.5
237.05507	1.1
253.08723	0.5
365.11960	1.0
373.08871	0.5
375.10208	3.6
376.10565	0.6
378.08850	0.7
379.09674	1.1
387.10165	0.7
393.11282	15.4
394.11664	2.4
403.09641	3.8
404.10394	1.0
413.08115	0.7
414.08942	2.0
415.09769	3.3
416.09854	0.5
420.09723	0.6
421.10764	10.2
422.11157	1.9
429.11346	2.7
431.09177	1.7
432.09973	32.7
433.10297	4.8
436.13110	20.3
437.13748	2.9
445.11118	1.1
446.11569	6.5
447.12338	54.6
448.12823	7.2
449.10150	0.6
463.11932	2.1
464.12582	26.0
465.12952	3.9
479.14981	100.0
480.15305	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	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60777	0.7
54.39404	0.8
59.01382	8.4
59.51559	0.6
59.77986	0.7
65.87698	0.7
69.18517	7.0
76.15215	0.8
133.12300	0.8
186.12524	0.8
196.05318	1.0
197.05939	1.0
198.06818	0.7
199.04054	1.4
207.04527	1.3
211.15262	0.7
213.05502	1.0
214.06320	4.4
215.20453	0.7
225.05467	4.0
227.72800	0.8
241.01486	0.7
242.05836	47.4
243.06166	2.2
257.08182	100.0
258.08511	7.3
261.99191	0.8
263.37372	0.8
268.38019	0.8
270.01511	0.9
272.03262	1.8
298.01276	0.8
299.02139	1.4
316.02002	1.5
365.42627	0.8
479.08173	6.8
479.21362	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	479.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.98833	5.6
71.01382	2.5
71.49949	0.4
72.99307	0.4
73.87558	0.3
74.02464	0.4
75.00871	1.1
77.03951	0.9
82.83089	0.3
83.57628	0.3
85.02937	0.5
87.00915	0.4
89.02451	2.5
100.37717	0.4
101.02441	1.5
103.04261	0.3
108.02169	0.5
111.00808	0.4
113.02440	0.8
115.00390	0.5
116.05020	0.6
118.06629	13.0
119.03415	0.7
119.05052	0.4
124.01617	0.4
134.06148	0.4
136.04031	3.3
136.07695	0.7
149.04587	0.4
149.67422	0.3
151.00375	0.8
158.34889	0.4
161.04585	0.4
162.05602	100.0
163.05933	4.3
176.03593	0.4
179.05627	0.7
194.04578	1.9
206.04611	0.8
242.40950	0.3
243.65987	0.3
281.09262	1.0
287.09012	0.4
289.07077	1.0
299.10391	3.2
317.06497	0.6
317.10318	1.0
372.81683	0.3
479.16452	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	480.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98822	0.8
64.85906	0.3
69.71471	1.6
71.01341	0.6
80.05058	26.3
80.45546	0.4
81.05403	0.5
101.02458	0.3
115.00385	0.5
115.42456	0.3
124.04043	46.2
125.04395	1.3
137.57233	0.4
150.01979	0.4
168.03015	100.0
169.03374	3.6
274.10858	0.5
349.15747	0.4
436.12677	0.8
480.11438	14.5
481.12009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26482	0.9
59.01386	4.3
59.65828	0.9
61.98828	100.0
68.21876	0.9
70.78800	2.4
71.01376	2.4
85.02917	1.0
99.08146	1.3
101.02458	0.9
103.42685	0.8
123.04491	1.1
127.07616	2.4
129.05556	3.7
130.05878	1.5
152.99467	0.8
153.05562	2.4
163.03661	0.8
193.05086	0.9
335.40872	0.8
480.21738	1.4
481.24368	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05950	0.4
54.10390	0.5
59.01382	2.8
61.98827	100.0
64.79538	0.4
69.36411	3.5
71.01363	0.7
74.49894	0.5
76.22987	0.4
80.21793	0.5
88.98834	0.5
89.02425	0.6
89.37230	0.4
106.01992	0.4
163.03973	0.6
184.02046	0.4
273.88220	0.5
332.75269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41182	0.1
55.01885	0.1
61.98800	0.1
62.96410	0.1
70.85954	0.1
70.86264	0.1
78.95898	19.1
87.80294	0.1
96.96970	0.2
110.30193	0.1
119.76018	0.1
122.98510	0.1
134.98517	0.2
151.43680	0.1
152.99588	2.4
155.28682	0.1
168.04312	3.0
175.44917	0.1
185.96135	0.1
194.05923	0.1
211.13332	0.5
224.06918	8.4
225.07211	0.3
233.23386	0.1
237.22217	0.2
241.04919	0.1
242.07953	1.9
244.44240	0.1
246.72778	0.1
253.21724	0.3
255.23267	100.0
256.23611	7.3
281.24738	0.1
282.25180	0.2
283.25421	0.3
391.22058	0.1
466.79163	0.1
480.30908	21.4
481.24493	0.2
481.31296	2.6
494.74438	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	480.3094
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.66709	0.5
61.98825	7.7
67.54149	0.5
70.67644	0.5
78.95427	0.9
78.95898	18.9
82.92345	0.6
84.66584	0.5
85.25220	0.6
88.51321	0.6
89.85797	0.5
96.73592	0.5
140.01199	5.0
152.99539	2.3
180.00639	0.5
183.29813	0.5
196.03761	10.0
214.04819	1.9
222.10634	0.5
244.94051	0.5
283.26395	100.0
284.26749	8.0
374.35648	0.5
480.30914	30.4
481.31567	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	481.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11476	0.5
58.00575	1.4
59.01103	1.1
59.01372	8.9
61.22618	0.5
63.51676	0.6
71.01373	5.6
71.48654	0.9
72.99328	1.0
75.00865	1.8
85.02950	1.5
87.00897	0.8
89.02451	2.0
93.03452	27.7
94.53773	0.6
97.97366	0.5
98.00224	0.5
99.00886	2.4
101.02441	1.1
103.00378	1.1
105.01905	1.0
107.05033	5.7
112.98786	1.1
113.02438	1.0
119.05020	2.1
121.46336	0.5
129.01949	1.1
133.02945	1.5
134.03801	0.9
135.04518	30.9
136.04829	1.4
145.01405	1.6
145.06558	0.6
147.04503	2.3
149.06084	1.8
161.06129	0.6
163.04016	9.6
165.05562	91.2
166.05876	4.2
177.05534	4.1
179.03464	1.3
181.05069	7.0
187.03981	1.5
193.05029	6.2
195.06557	1.4
200.31386	0.6
205.05014	2.1
215.30545	0.6
223.06094	6.1
255.08890	0.9
265.07053	0.6
268.71661	0.6
283.08212	100.0
284.08539	4.5
327.10770	2.0
332.46573	0.7
343.10333	1.1
353.34723	0.5
355.10422	0.7
393.07712	0.7
399.76538	0.7
426.64166	0.7
445.13483	21.3
446.13779	2.7
481.10349	7.1
482.11786	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	481.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24400	0.5
59.01347	0.7
59.70400	0.4
69.14544	1.0
69.14947	4.9
70.40936	0.5
78.95901	0.9
81.28702	0.5
88.10352	0.5
96.96019	0.7
98.19878	1.3
99.08133	0.8
110.42508	0.6
127.07676	1.0
131.23085	0.6
152.99583	1.2
163.01283	0.5
177.70876	0.6
185.05833	0.7
196.05246	1.2
197.06053	1.3
211.13390	3.4
213.05522	2.0
218.72827	0.7
224.04778	2.1
225.05423	1.2
226.06300	2.1
239.07063	1.2
241.05077	5.5
241.08629	1.3
242.05798	0.9
253.21686	3.7
255.06703	1.5
256.07394	1.2
286.08545	1.5
286.69568	0.6
291.19705	0.8
309.20621	3.6
377.11731	4.9
378.12247	1.7
381.11069	0.8
389.11926	0.8
391.09625	0.9
404.10587	0.9
405.11218	10.6
406.12051	3.7
407.12823	1.6
418.53543	0.6
422.11511	0.8
423.12463	4.5
424.12738	0.7
432.09814	2.4
433.10727	2.6
434.11566	27.3
435.12125	5.3
447.12274	3.0
448.13089	9.7
449.13882	36.3
450.14883	4.7
465.13348	5.9
466.14197	16.1
467.14539	1.5
481.16541	100.0
482.16852	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	481.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24400	0.5
59.01347	0.7
59.70400	0.4
69.14544	1.0
69.14947	4.9
70.40936	0.5
78.95901	0.9
81.28702	0.5
88.10352	0.5
96.96019	0.7
98.19878	1.3
99.08133	0.8
110.42508	0.6
127.07676	1.0
131.23085	0.6
152.99583	1.2
163.01283	0.5
177.70876	0.6
185.05833	0.7
196.05246	1.2
197.06053	1.3
211.13390	3.4
213.05522	2.0
218.72827	0.7
224.04778	2.1
225.05423	1.2
226.06300	2.1
239.07063	1.2
241.05077	5.5
241.08629	1.3
242.05798	0.9
253.21686	3.7
255.06703	1.5
256.07394	1.2
286.08545	1.5
286.69568	0.6
291.19705	0.8
309.20621	3.6
377.11731	4.9
378.12247	1.7
381.11069	0.8
389.11926	0.8
391.09625	0.9
404.10587	0.9
405.11218	10.6
406.12051	3.7
407.12823	1.6
418.53543	0.6
422.11511	0.8
423.12463	4.5
424.12738	0.7
432.09814	2.4
433.10727	2.6
434.11566	27.3
435.12125	5.3
447.12274	3.0
448.13089	9.7
449.13882	36.3
450.14883	4.7
465.13348	5.9
466.14197	16.1
467.14539	1.5
481.16541	100.0
482.16852	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	481.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65634	0.2
59.01354	0.4
69.84114	0.9
84.10129	0.2
98.20615	0.4
127.07627	0.6
143.05031	0.8
167.04961	0.3
169.06569	0.3
181.06569	0.4
183.04494	0.8
185.06123	0.4
196.05293	2.8
197.06059	1.4
198.06645	0.3
210.06897	0.8
211.03972	1.0
212.04793	0.2
213.05504	1.3
219.43668	0.2
223.04085	0.2
224.04785	5.3
225.05548	11.0
226.06296	3.0
227.06993	0.5
239.07138	2.2
240.04326	0.3
240.07828	0.4
241.05040	3.4
241.08679	0.6
242.05772	0.4
253.08643	0.4
255.06825	0.3
264.80881	0.2
281.08246	0.3
296.10602	0.3
314.56534	0.2
364.11108	0.3
377.11844	0.2
377.92682	0.2
379.09592	0.4
381.11295	0.3
382.11856	0.4
389.11887	0.3
390.08661	0.3
396.13693	0.5
405.11182	1.1
406.11923	0.8
407.13309	0.3
408.09909	3.0
409.10220	0.5
417.11356	0.9
420.09814	0.5
421.10727	0.9
422.11566	2.5
423.12292	3.8
424.12799	0.5
432.10074	1.4
433.10782	9.2
434.11493	11.0
435.12314	6.8
436.12906	0.8
437.13864	0.3
438.14676	0.4
447.12347	2.1
448.13092	2.0
449.13959	18.5
450.14688	2.5
451.12103	1.3
465.13370	20.8
466.14102	10.6
467.14450	1.0
481.16541	100.0
482.16870	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	481.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92714	1.8
89.02902	0.3
127.07612	0.4
167.05014	0.4
183.04475	0.4
195.04535	0.4
196.05264	1.0
197.06068	1.6
203.35825	0.3
211.04007	0.8
212.02277	0.3
223.03963	0.5
224.04752	5.8
225.05562	8.9
226.06294	2.6
227.06934	0.5
239.07079	2.7
240.07718	0.5
271.05988	0.3
275.53537	0.3
286.08563	0.5
377.11630	0.5
379.13470	0.4
381.11319	0.5
389.11783	1.1
390.12527	0.5
392.10284	0.4
405.11456	1.6
406.11618	0.4
415.09515	0.6
417.11304	1.4
419.09180	1.7
420.09805	1.3
423.12366	1.6
424.12570	0.6
432.10074	1.0
433.10736	3.2
434.11502	9.4
435.12332	40.5
436.12723	4.9
447.12473	0.9
448.13040	1.4
449.14197	8.3
450.10791	1.2
451.11600	1.8
465.13364	14.8
466.14114	8.2
467.14316	1.0
481.16522	100.0
482.16870	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	481.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94140	0.4
63.58878	0.4
65.46803	0.4
72.25075	0.4
72.34396	0.4
98.20739	1.0
102.56010	0.4
107.45552	0.3
117.72961	0.3
135.96936	0.4
143.05069	0.5
196.05281	1.2
197.06062	1.7
210.06900	0.5
211.04094	0.6
213.05573	1.1
224.04759	3.4
225.05540	7.5
226.06380	3.6
227.07080	1.6
237.05562	2.7
239.07097	1.4
241.05023	1.6
265.04947	0.7
266.05740	1.2
280.07425	1.6
281.08170	1.9
377.11938	0.4
379.13391	1.5
389.12000	0.6
395.12744	0.5
405.11230	2.4
406.12189	1.8
407.12759	1.5
422.11444	0.5
423.12402	4.6
424.12567	0.5
432.09811	2.0
433.10730	3.4
434.11560	12.3
435.12250	7.1
436.12671	0.8
447.12286	4.4
448.13092	4.2
449.13977	10.1
449.23672	0.5
450.10361	2.7
451.11871	9.0
452.12189	1.0
463.15515	1.5
465.13409	12.2
466.14154	19.4
467.14624	2.8
481.16553	100.0
482.16895	14.4
482.22275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27438	0.6
58.00649	0.6
69.32632	3.2
75.37802	0.6
79.90692	0.6
82.65115	0.7
94.25906	0.6
112.52020	0.7
121.65025	0.5
123.45763	0.5
140.33336	0.6
143.05016	2.2
156.89133	0.6
167.05011	2.2
168.05710	0.9
169.06560	1.8
171.04533	1.3
185.06099	1.1
195.04498	2.2
197.06107	2.3
210.06819	0.7
211.04001	1.9
212.04805	1.9
213.05556	42.5
214.05885	2.5
225.05515	2.3
226.06305	3.8
239.03523	4.8
240.04227	5.7
241.05043	100.0
242.05414	5.6
250.94678	0.7
255.06555	1.1
256.07370	4.9
319.26840	0.6
413.91135	0.6
423.12518	1.3
425.27051	0.6
434.11459	0.7
435.12198	1.8
451.11743	3.4
465.13269	1.2
466.07562	1.4
466.14178	24.3
467.14499	3.6
481.16544	89.8
482.16864	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	481.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46640	0.7
70.06240	2.5
77.50784	0.6
100.25561	0.7
117.29419	0.6
171.72153	0.7
183.04482	0.9
191.31111	0.7
196.05283	2.3
196.65202	0.6
197.05965	2.0
211.03964	2.6
224.04764	5.4
225.05562	18.2
226.06276	2.9
239.07080	1.8
240.07765	1.5
253.08757	0.9
281.07956	0.8
296.10504	1.3
309.07660	1.0
377.11798	1.5
381.11359	1.2
389.11905	0.8
396.13531	0.8
405.11493	1.9
406.11856	1.5
408.10077	2.1
423.12299	4.3
424.13431	1.0
432.10065	0.9
433.10757	2.6
434.11526	12.6
435.12051	4.2
447.12299	2.3
448.13190	2.9
449.13910	14.2
450.14215	2.5
451.11945	1.2
465.13367	12.9
466.14120	13.6
467.14474	1.9
481.16534	100.0
482.16867	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	481.1655
Annotation	4,4'-Dimethoxy-2,7,7'-trihydroxy-9,9',10,10'-tetrahydro-[1,2'-biphenanthrene]
Peak:m/z	Relative Intensity
60.20278	0.6
69.48167	3.4
88.31732	0.6
92.99517	0.5
123.26070	0.7
169.06584	10.5
171.04474	3.0
180.46452	0.6
183.04349	0.7
185.06123	4.2
187.24321	0.6
194.02936	0.6
195.04553	0.8
197.06076	1.5
199.03954	1.6
211.04074	0.9
213.05563	36.0
214.05872	1.2
223.03981	2.1
224.04732	1.4
226.06343	4.4
227.07022	2.0
239.03539	3.2
240.04201	2.7
241.05055	61.5
241.08945	1.7
242.05423	4.2
256.07474	1.7
374.02979	0.6
391.74078	0.6
409.28391	0.7
417.11365	3.1
421.21243	0.6
423.12302	2.1
433.10999	2.8
434.11371	1.7
435.12210	1.4
449.14014	3.2
451.11969	3.9
465.13321	5.6
466.14169	29.3
467.14563	3.7
481.16550	100.0
482.16882	13.1
482.23462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1654
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
57.50373	0.4
69.59459	1.3
69.59882	2.0
70.51223	0.4
74.07767	0.4
84.11084	0.5
127.07717	0.5
147.52507	0.4
167.04956	0.6
181.06583	0.7
183.04520	0.7
195.04500	1.1
195.68506	0.4
196.05267	1.0
197.06061	1.9
211.03987	1.2
223.03984	1.0
224.04773	10.5
225.05536	13.3
226.06259	3.6
237.05609	0.7
239.07083	3.9
240.07860	1.0
241.08583	0.7
250.42532	0.5
265.04971	0.9
266.05835	1.0
271.37042	0.6
381.11346	1.6
405.11407	1.9
408.09833	1.0
422.11520	1.4
423.12234	1.1
432.09763	2.9
433.10620	4.4
434.11496	3.5
435.12311	3.4
436.13437	0.7
447.12363	2.7
448.13092	1.7
449.13721	2.0
450.10544	4.3
451.11783	6.5
452.12012	0.5
465.13382	21.4
466.14008	8.7
467.14407	1.5
481.16537	100.0
482.16907	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	481.1655
Annotation	Phoyunnanin E
Peak:m/z	Relative Intensity
68.76916	0.5
69.76183	1.8
69.76588	0.8
71.94878	0.4
72.28592	0.4
92.59186	0.5
98.19902	0.9
133.19115	0.4
151.37779	0.5
157.53508	0.5
181.06456	0.5
183.04550	0.8
185.06099	0.5
189.85364	0.4
196.05275	2.5
197.06021	2.6
210.06792	0.6
211.04001	1.5
211.07722	0.5
213.05507	0.7
224.04782	6.0
225.05560	13.8
225.09120	0.5
226.06326	4.7
227.07051	1.0
239.07144	3.8
240.07915	1.8
241.05107	0.5
253.08636	0.6
258.23660	0.4
266.06039	0.5
281.08368	0.5
286.08353	0.5
289.76254	0.5
296.10419	1.2
324.22617	0.5
355.13040	0.5
379.13751	0.6
381.11191	1.9
396.13852	0.6
405.11365	3.7
406.11966	1.5
407.12714	1.4
408.09998	1.2
416.10431	1.0
417.11331	1.2
422.11163	0.9
423.12320	9.5
424.12738	1.4
431.13062	1.1
432.09671	2.2
433.10800	2.5
434.11511	14.1
435.12216	4.1
447.12360	2.9
448.13171	3.7
449.13922	10.8
450.10461	0.8
450.14758	0.6
451.11951	2.6
465.13354	14.0
466.14151	22.7
467.14667	3.0
481.16547	100.0
482.16867	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	481.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65496	0.4
57.18015	0.4
71.50765	0.5
75.24105	0.4
78.95900	9.1
79.47770	0.5
119.86314	0.3
152.99597	2.3
153.43150	0.4
160.20253	0.3
167.04968	0.9
168.04292	1.4
169.06590	5.3
171.04498	2.8
185.06081	3.4
189.05399	0.4
191.27765	0.4
195.04259	0.4
197.05983	0.5
198.06723	0.6
199.04012	1.1
200.70021	0.4
209.06062	1.3
210.06979	0.5
211.03938	0.9
211.07623	0.4
213.05548	28.4
214.05890	1.7
223.03864	1.2
223.07603	0.6
224.04782	0.7
224.06804	2.8
225.05490	1.1
225.07370	0.8
226.06346	4.6
227.07071	1.2
239.03508	1.7
239.07077	0.5
240.04222	1.3
241.05042	43.8
241.08932	1.5
242.05650	3.8
242.07967	0.8
245.04355	0.5
253.21735	5.6
255.23270	30.9
256.07318	1.8
256.23611	19.8
256.26407	0.8
257.23920	0.6
377.11435	0.5
379.13748	0.7
405.11148	0.9
407.12881	1.5
423.12421	1.7
433.10709	3.0
434.11349	0.8
435.12360	7.8
436.12506	1.1
449.13925	2.0
451.11725	7.4
452.11917	1.0
465.13321	5.3
466.14151	28.5
467.14566	4.3
480.30835	3.2
481.16537	100.0
481.31000	7.7
482.16843	13.0
482.22150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24081	0.4
54.11385	0.5
71.27155	1.2
72.35047	0.5
74.19291	0.5
75.36012	0.4
82.69224	0.5
83.07238	0.5
183.04494	1.0
185.06044	1.7
222.90106	0.5
224.04785	0.8
225.05493	2.6
226.06310	0.9
227.07162	1.1
237.05638	1.6
239.07123	1.0
265.04825	0.7
266.05920	1.2
280.07239	1.4
281.08182	1.6
307.06229	1.0
355.33954	0.5
405.11298	7.6
405.81827	0.5
406.11865	1.3
416.10800	0.8
417.11362	3.0
423.12326	2.3
424.12430	0.6
431.13065	1.1
433.11160	1.0
434.11517	10.7
435.12228	4.0
447.12311	1.6
448.13132	12.1
449.13904	22.7
450.10858	1.7
450.14526	1.7
451.11728	1.7
465.13367	11.3
466.14145	19.1
467.14655	2.2
481.16556	100.0
482.16885	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1668
Annotation	4,4'-Dimethoxy-2,7,7'-trihydroxy-9,9',10,10'-tetrahydro-[1,2'-biphenanthrene]
Peak:m/z	Relative Intensity
57.23225	0.6
59.01373	1.7
59.74689	0.5
61.98814	1.7
74.13821	0.5
101.02473	0.5
105.25719	0.6
127.07655	12.9
133.20680	0.6
147.04500	1.5
161.06068	1.1
169.12354	1.5
171.05208	1.0
171.06619	11.8
171.11357	0.7
181.67096	0.5
192.63222	0.6
195.04408	0.7
213.11314	1.7
223.03943	1.1
224.04765	6.8
225.05614	4.0
226.06267	4.0
229.59912	0.9
239.07098	2.6
253.50446	0.6
289.08835	0.8
316.42667	0.6
330.18777	0.7
345.11429	2.6
361.10812	1.5
373.10849	4.2
391.11850	5.7
392.12305	0.8
405.11346	0.8
407.09073	0.8
418.08557	0.7
419.09274	2.1
420.09738	0.8
432.09949	1.8
433.10779	13.0
434.11584	8.7
435.12360	45.8
436.12762	5.7
447.12305	1.0
449.14023	1.6
450.10947	1.5
451.11642	1.5
463.13702	0.6
465.13388	27.0
466.13989	6.8
481.16534	100.0
482.16864	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
61.98826	1.7
71.01384	3.6
71.50584	0.5
72.72060	0.4
78.95881	0.6
85.02942	2.9
89.01916	0.4
89.02415	1.8
95.01387	1.3
96.96034	0.5
99.08161	1.0
101.02454	1.8
113.02451	4.3
119.03507	1.0
127.07649	100.0
128.07971	2.8
133.06633	0.5
136.05313	1.9
142.33748	0.4
143.05028	0.8
145.08702	0.9
147.04510	8.0
148.04871	0.5
152.23199	0.4
152.99606	0.9
153.05525	1.0
161.04700	0.7
161.06076	2.0
171.06618	86.8
172.06960	2.8
183.04462	0.8
189.05597	0.9
196.05325	1.0
197.06088	1.4
211.04022	1.1
222.75592	0.5
224.04745	3.6
225.05540	10.9
226.06184	2.6
239.07072	1.1
240.07916	1.2
281.08267	0.5
289.12921	0.5
296.10651	0.6
309.07465	0.4
319.19098	0.9
377.11740	0.5
379.09717	0.6
381.11176	1.0
385.16553	0.5
394.12268	0.5
396.13492	0.8
405.11417	1.4
406.12085	0.9
408.10025	1.2
417.11414	0.5
419.09335	0.4
422.11703	0.6
423.12253	2.7
427.17377	0.8
432.09830	0.9
433.10641	2.4
434.11530	10.4
435.12311	5.0
436.12958	0.6
437.18265	0.8
447.12451	1.5
448.13010	2.4
449.13974	11.3
450.14743	0.9
451.11713	1.0
457.00415	0.5
465.13452	7.4
466.14297	5.8
467.14578	1.0
481.16693	85.2
482.17090	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
66.87493	0.5
70.99089	1.0
71.01375	2.2
87.01389	0.5
88.21830	0.7
103.05515	1.3
120.48561	0.6
127.07650	100.0
128.08017	3.8
131.05003	1.3
147.03366	1.0
147.04518	11.3
161.06078	11.0
171.06622	86.2
172.06944	3.6
189.05527	1.9
206.99837	0.5
241.04999	1.3
437.18207	2.0
466.14279	1.0
481.17065	32.6
482.17252	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59783	0.5
59.01375	1.3
59.95410	0.6
70.82313	0.5
71.01402	0.9
73.02946	0.6
79.53470	0.5
79.98004	0.5
89.10941	0.5
98.20705	2.1
127.07656	100.0
128.07977	2.2
131.04987	0.7
133.06702	0.7
145.08768	0.8
147.04518	10.1
153.05515	0.7
161.06082	8.9
171.06628	85.8
172.06985	3.2
189.05595	2.2
430.26105	0.7
437.18268	1.9
481.17090	26.8
482.17313	3.2
494.64981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.77279	0.7
70.85907	1.4
71.01379	2.3
72.36549	0.5
78.19330	0.5
79.68414	0.6
103.05558	0.5
113.02444	1.1
115.05518	0.7
117.87576	0.6
126.16292	0.5
127.07653	100.0
128.07993	3.3
130.04271	0.6
131.05019	1.7
133.06621	0.7
145.08711	0.9
147.04518	10.2
154.11252	0.6
161.06079	11.2
169.12109	0.6
171.06627	86.0
172.06996	3.7
189.05611	2.7
201.66937	0.6
216.42271	0.6
217.74538	0.7
312.07828	0.7
363.25510	0.7
437.18066	2.0
481.17126	27.9
482.17593	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.7
61.98834	4.1
65.30569	0.7
69.68855	4.0
71.01374	3.4
77.75441	0.7
85.02927	1.4
87.38473	0.7
87.39005	0.6
88.38990	0.7
89.02455	1.1
96.95973	0.6
99.08144	0.7
101.02442	2.1
113.02431	3.9
119.03468	1.2
123.04494	0.6
127.07643	100.0
128.08014	3.6
133.06566	1.2
145.08704	1.5
147.04503	11.7
152.99690	0.8
153.05559	2.5
161.04637	1.1
161.06015	6.8
171.06612	99.4
172.06970	4.1
181.18886	0.7
189.05582	3.2
219.06592	1.0
289.12732	1.0
323.98584	0.8
405.61600	0.7
430.08014	0.9
433.10675	2.0
434.11469	3.8
435.12256	2.9
437.18546	0.8
449.13849	3.6
463.11267	1.1
465.13831	1.0
466.14102	1.9
481.16943	42.1
482.17319	3.8
503.80927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98863	0.2
57.03454	0.4
59.01377	3.3
61.98845	0.3
69.70199	0.2
69.76372	1.2
71.01372	2.7
73.02968	0.4
85.02948	1.3
89.02452	1.0
95.01394	0.4
97.17704	0.2
98.01064	0.2
98.19943	0.3
99.08177	0.6
101.02449	1.1
103.05549	1.0
103.66585	0.2
113.02430	2.3
115.05547	0.6
115.75717	0.3
119.03521	0.7
119.04944	0.3
127.07652	100.0
128.07993	3.1
131.05035	1.2
133.06601	0.9
145.08737	1.5
147.04517	9.9
147.08211	0.2
148.04819	0.5
155.92102	0.2
158.54068	0.2
161.04712	0.3
161.06071	3.7
171.06624	92.0
172.06984	3.4
188.03432	0.2
189.05576	2.0
189.66638	0.2
203.34422	0.2
219.06664	0.3
231.68330	0.2
289.12991	0.8
434.11676	0.4
435.11917	0.3
437.18271	0.7
465.13556	0.3
481.17105	20.2
482.17438	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
60.45193	0.9
61.98819	1.9
67.55271	0.8
70.98958	1.1
70.99271	1.1
71.01385	3.2
85.02925	1.4
89.02448	0.9
99.08147	1.7
101.02422	1.4
113.02415	3.0
127.07645	100.0
128.08011	2.5
130.71431	0.8
131.05026	1.8
133.06601	1.7
145.08759	1.2
147.04504	11.0
148.04951	1.0
159.27217	0.9
161.06071	6.1
171.06621	97.3
172.06984	2.9
189.05548	3.1
307.71780	0.8
419.13150	1.6
432.09055	0.9
433.10422	4.4
434.11343	5.7
435.12158	2.1
437.18448	1.0
449.13925	2.2
481.16898	38.8
482.16806	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15646	0.4
59.01379	2.0
70.29866	0.4
71.01385	2.1
71.27437	0.5
73.02921	0.7
75.01808	0.4
83.01433	0.4
85.02941	0.9
89.02445	0.8
95.01409	0.7
99.08125	0.9
101.02483	1.1
103.05546	0.4
106.15059	0.4
113.02438	3.0
119.03511	0.9
120.92783	0.4
127.07650	100.0
128.07980	3.5
131.05037	0.5
133.06604	1.0
137.58682	0.4
144.55801	0.4
145.08704	1.5
147.04515	10.8
161.04759	0.8
161.06065	4.6
171.06622	98.1
172.06981	4.5
189.05602	2.7
193.86467	0.5
219.06592	0.5
220.99211	0.4
289.12939	0.9
425.06458	0.4
437.18130	1.0
481.17111	23.5
482.17374	2.6
500.90814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
67.60260	0.6
71.01388	2.2
85.02925	1.3
89.02466	0.6
99.08144	0.6
99.18410	0.5
101.02488	1.1
103.05524	0.7
113.02430	2.9
113.40425	0.5
127.07647	100.0
128.07991	3.0
131.05090	0.5
133.06593	0.6
136.40027	0.5
145.05238	0.5
145.08731	1.5
147.04501	8.7
161.04851	0.6
161.06035	3.5
171.06618	88.1
172.06963	3.4
176.79947	0.5
189.05566	1.5
331.36255	0.5
481.17130	17.1
482.17365	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01378	12.6
61.98830	1.6
65.73804	0.7
71.01379	6.7
84.54756	0.7
85.02951	1.3
89.02438	8.5
98.20696	2.3
101.02434	6.7
106.84996	0.6
113.02437	3.7
119.03487	8.3
127.07649	100.0
128.07991	2.9
131.05000	0.8
147.04512	11.3
152.99605	1.1
153.05589	3.8
161.04759	1.2
161.06088	2.7
171.06621	82.7
172.06993	2.5
179.05542	2.5
226.29405	0.6
481.17014	13.0
481.23856	0.9
482.17722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98815	2.0
62.37867	0.5
69.33852	4.2
69.34276	0.8
71.01389	1.2
73.43626	0.5
75.00866	2.1
98.20661	1.0
101.02434	0.9
111.75073	0.5
113.02481	0.8
115.00342	0.5
136.01659	1.5
151.03995	2.2
155.65480	0.6
185.06026	1.4
195.04434	1.4
197.06079	1.2
203.03462	1.3
211.03967	0.6
212.04868	1.2
213.05544	12.2
214.05687	0.5
223.03998	2.0
224.04695	1.6
237.05496	0.5
240.04138	0.7
241.05042	55.1
242.05438	3.6
256.07385	43.3
257.07660	2.7
271.09729	100.0
272.10065	8.2
277.05554	2.2
319.11853	16.4
320.12247	0.9
360.85883	0.5
402.34195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	3.7
59.01381	100.0
61.98829	25.6
65.00356	2.2
69.33541	10.3
69.33949	3.3
71.01383	74.8
72.99310	5.9
73.02958	1.8
75.00873	29.4
75.10332	1.6
75.89662	1.9
83.01401	3.4
85.02942	12.5
87.00868	4.3
89.02444	65.7
93.03447	1.9
94.23961	1.7
95.01418	4.3
97.29757	1.7
97.79362	1.7
101.02435	30.4
107.01374	3.3
108.02233	1.8
109.02985	1.8
113.02446	26.7
114.01476	1.8
119.03499	30.6
119.05010	5.2
121.02957	2.2
125.02395	2.1
131.03549	3.6
134.03757	20.3
136.01669	44.0
137.02475	2.2
143.03455	5.2
149.04601	2.5
149.06073	12.7
151.00389	13.1
151.04004	47.3
152.04442	3.3
155.03471	2.0
161.04527	3.4
163.04001	4.8
175.00354	5.6
179.05585	6.6
197.06026	6.0
208.05249	4.3
209.06076	13.2
225.05490	9.4
236.04675	3.5
237.05559	44.7
238.06215	10.9
243.09641	1.8
251.07106	3.9
252.07921	33.1
253.05014	31.4
253.08629	10.0
254.05182	2.1
267.06531	2.7
268.07370	30.4
269.07748	2.2
283.09753	74.2
284.10080	7.4
287.42297	1.8
301.10895	4.5
319.07907	2.1
319.13776	2.7
362.27490	2.0
363.16833	2.6
481.19119	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	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00586	0.7
59.01379	100.0
60.01726	0.8
61.98832	4.0
67.01891	8.4
69.71152	0.8
71.01382	16.5
71.49795	1.1
72.00935	0.6
72.99346	1.4
73.02949	0.8
75.00892	2.4
78.66423	0.5
82.70013	0.5
83.01384	0.9
85.02963	1.7
87.00895	3.0
89.02443	17.4
93.03463	3.9
95.01405	1.6
96.96049	0.8
96.96986	0.8
97.46516	0.6
99.00885	0.8
101.02448	8.5
107.04996	0.7
111.00890	0.8
113.02426	4.4
115.00391	3.6
119.03503	8.6
119.04972	4.5
119.30179	0.6
122.06121	0.6
123.08186	2.2
129.02005	1.0
131.03488	1.4
134.03780	0.7
135.04541	2.4
135.08150	1.3
136.01695	1.5
136.04103	1.0
138.05617	9.1
138.06645	0.7
139.00368	8.2
139.04053	1.1
143.03526	2.4
145.03000	1.5
147.04564	4.2
149.04578	1.5
149.06212	0.7
151.00406	1.3
151.04041	1.0
161.04538	2.0
163.04031	0.9
164.07170	7.6
165.05579	7.5
165.07622	1.0
165.09262	0.7
175.02466	10.3
179.05605	6.8
181.05034	0.9
182.99358	6.2
184.06157	5.5
187.04112	0.8
195.06625	1.3
203.03516	0.8
211.22855	0.7
213.05656	0.8
227.12718	0.8
237.05560	0.8
241.05080	3.7
256.07397	2.9
271.09686	7.5
271.12137	0.6
272.10178	0.9
276.20734	0.8
277.05688	1.8
283.08157	8.4
319.14282	1.9
343.34216	0.6
421.21024	2.0
445.13855	2.3
454.42630	0.7
481.10437	2.5
481.19016	1.3
484.46484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65749	0.3
59.01381	0.6
61.98827	100.0
71.01363	0.3
101.02445	0.4
104.68082	0.2
119.82718	0.3
176.15227	0.3
181.47334	0.3
182.23367	0.2
209.96858	0.3
237.10393	0.3
244.06435	0.3
247.23241	0.3
252.75244	0.3
258.08548	0.8
259.08966	0.4
260.08899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98825	100.0
76.08377	0.2
81.03451	0.4
99.95420	0.2
110.00233	0.2
122.03731	0.3
123.69225	0.3
124.60798	0.2
124.77964	0.2
125.02477	0.8
127.07653	0.3
173.06050	0.3
213.09241	1.3
239.07169	0.7
246.83852	0.2
257.08170	11.8
258.08469	1.1
364.72293	0.2
419.13278	1.5
445.63684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40378	6.0
54.09656	5.7
59.01366	18.5
61.98844	10.9
69.62193	29.9
71.01372	12.4
79.57463	5.9
98.19936	9.6
100.35568	5.7
101.02398	8.1
112.98812	10.6
119.05051	11.8
145.01422	9.9
165.05600	13.1
166.32397	6.2
173.80594	6.4
179.05611	14.0
187.10838	7.5
198.93028	6.2
283.08038	10.3
387.16516	6.6
417.69696	6.8
451.08966	7.4
483.12366	100.0
484.12186	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	483.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	3.0
58.97337	2.4
59.01380	31.0
61.98831	46.3
70.99697	2.0
71.01380	35.3
71.49138	2.2
72.99300	2.9
73.02942	5.6
74.28492	2.2
75.00853	2.5
83.01361	2.8
85.02938	13.6
87.00888	4.4
89.02454	20.5
93.03440	3.5
94.08821	2.4
96.95956	2.7
97.02912	2.3
99.00897	12.2
101.02445	20.7
113.02448	24.4
116.13703	2.4
119.03493	14.1
119.05009	2.4
123.04548	15.3
137.02470	2.8
143.03479	6.8
161.04572	17.8
163.04044	3.6
165.05539	3.5
176.35712	2.4
179.05595	9.0
181.05005	3.6
201.12459	11.7
323.09827	100.0
324.10391	4.5
423.15036	8.6
445.13507	14.7
447.14935	16.6
448.15683	2.6
483.11963	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	483.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95884	4.6
59.01369	17.7
61.98821	13.2
69.13561	51.4
71.01369	11.2
89.02453	10.0
93.03440	15.5
101.02441	10.4
112.98743	5.3
135.04480	15.1
145.01382	13.2
163.03883	5.3
165.05571	50.2
165.75293	6.5
179.05563	15.2
179.07013	4.8
206.82591	5.1
234.64748	4.4
263.05652	7.8
270.84415	4.7
283.08243	58.8
285.08716	7.5
318.38757	5.8
348.92984	5.2
445.13449	12.1
483.12402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76762	4.2
59.01392	4.9
69.92361	23.8
71.01402	8.4
87.00868	9.5
96.96014	5.3
111.00883	100.0
111.01591	9.3
112.98819	5.6
113.02428	5.5
173.01009	5.8
234.40294	4.4
238.87302	4.9
271.89096	4.8
292.40308	5.6
293.21329	10.0
332.70413	5.8
483.17395	16.9
484.18546	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	483.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74745	0.3
57.03448	2.0
59.01373	0.7
61.98834	0.6
67.01884	4.1
68.15425	0.3
70.64788	0.8
85.02940	0.5
87.00870	9.8
91.45541	0.3
111.00874	100.0
112.01236	2.3
126.33486	0.2
129.01968	0.3
151.28972	0.3
154.99896	0.4
173.00890	8.4
173.02391	0.4
174.01241	0.3
224.04671	0.3
225.05312	0.3
291.19592	0.8
293.21210	0.4
309.20627	0.9
328.07391	0.6
329.07822	0.5
330.08881	0.5
433.09982	0.4
434.10800	0.5
435.11823	1.9
436.12686	2.6
437.13318	1.4
450.14392	0.4
451.15594	1.6
467.14246	0.5
468.15454	0.8
483.17410	9.0
484.18085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07021	0.2
57.03440	1.6
59.01368	0.8
61.98821	1.0
65.65292	0.2
67.01881	2.8
68.80352	0.3
70.65218	0.4
70.65528	0.3
75.00883	0.3
83.01373	0.5
85.02957	0.8
87.00873	5.6
88.71165	0.2
111.00875	100.0
112.01221	2.1
112.28502	0.2
114.95930	0.2
129.01967	0.4
154.99855	0.3
173.00890	7.4
184.95180	0.3
224.04871	0.2
225.05467	0.4
291.19586	0.4
293.21091	0.7
309.20670	0.9
311.22650	0.3
311.93494	0.3
312.07974	0.6
313.08572	0.7
313.68597	0.3
314.09222	0.3
436.12964	0.4
449.13742	0.7
450.14682	1.3
451.15442	0.6
465.16977	0.3
467.14828	1.0
468.15683	0.4
483.18066	8.9
484.18524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01376	0.4
61.35122	0.3
61.98852	0.3
62.94922	0.3
65.00520	0.3
67.01889	3.4
70.05051	1.3
83.01387	0.6
85.02962	0.4
87.00874	5.7
94.00085	0.2
100.33222	0.3
108.02078	0.3
111.00881	100.0
112.01200	2.2
127.71619	0.3
129.63275	0.3
138.37492	0.3
173.00908	5.9
197.06049	1.5
208.05362	0.9
213.05573	1.0
214.05942	1.0
214.76192	0.3
215.41393	0.3
224.04773	0.3
225.05600	2.3
226.06302	2.3
227.06943	0.7
240.07951	1.1
241.04997	1.1
241.08778	0.4
242.05382	1.4
243.06645	1.4
243.10248	0.5
257.08176	1.0
293.21295	0.4
301.08487	0.3
309.20575	0.8
330.09113	0.5
345.07327	0.3
347.09399	0.5
361.10773	0.3
407.12259	0.4
435.11768	0.4
436.12759	1.2
437.13690	0.4
449.13309	0.6
450.14722	0.5
451.15430	3.0
453.12512	0.8
467.14468	1.0
468.15204	5.2
483.17807	19.0
483.35706	0.6
484.18350	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55568	0.3
53.50223	0.2
69.18359	3.1
78.95903	5.9
81.03062	0.3
92.08824	0.3
96.96941	0.9
115.92710	0.3
152.99579	13.6
171.00633	1.1
224.54973	0.3
227.03241	2.5
234.10287	0.3
245.04308	1.6
255.23274	100.0
256.21109	0.6
256.23639	6.9
483.27274	23.1
484.27670	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	484.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.4
61.98829	100.0
63.74253	0.6
70.84645	0.5
70.84978	1.1
71.01379	3.6
77.56372	0.5
85.02966	0.8
88.98836	0.6
89.02480	1.1
99.92591	0.7
101.02415	1.2
113.02466	1.3
114.02776	0.6
115.92114	0.6
125.02660	0.6
127.07655	27.7
128.07983	16.2
129.08109	6.1
130.08446	1.8
143.04707	0.6
147.04518	2.3
148.04904	1.4
171.06619	18.6
172.06964	14.0
173.07089	10.8
174.07367	3.5
222.76250	0.6
259.09680	3.0
310.89935	0.5
363.30145	0.6
483.17844	0.6
484.17947	10.2
485.20511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57736	0.6
58.02960	1.3
67.18501	0.6
71.50925	0.8
72.00893	2.5
73.04064	12.2
74.02470	32.0
82.06607	1.6
83.02517	1.0
86.02475	2.7
87.05622	2.8
91.72353	0.6
97.06581	0.6
99.05663	0.6
104.03536	20.9
110.54158	0.6
112.02711	1.0
113.24744	0.7
122.09766	1.0
125.10770	1.0
126.09230	2.0
130.08717	4.1
139.08737	3.6
140.07190	0.8
141.10332	4.2
143.11891	17.9
152.07169	6.5
152.99583	0.9
153.10326	2.1
155.11888	20.5
165.10265	1.2
169.09824	8.8
173.12881	3.4
187.10861	6.3
199.10974	1.1
200.14029	31.7
201.14372	1.3
209.18996	0.7
212.14040	15.2
213.14151	0.7
226.21745	38.3
226.37567	0.6
227.22002	1.9
228.22096	0.7
230.15056	3.8
255.23210	3.6
256.23608	7.6
266.21216	3.5
270.20758	3.0
283.23853	9.4
312.22528	1.8
342.08569	0.7
353.31711	1.0
361.43210	0.7
379.29614	1.8
397.30743	8.8
398.30923	0.9
410.33850	1.8
422.33823	13.0
423.34177	1.3
440.34818	2.7
454.32819	48.9
455.33325	5.4
466.32758	2.9
484.28336	3.6
484.33868	100.0
485.27591	0.8
485.34161	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06963	7.0
52.92947	7.0
58.52537	7.0
59.01385	37.2
61.98821	24.3
66.08688	6.8
70.96966	11.6
70.97270	7.9
71.01375	26.5
80.20126	7.6
87.00889	15.9
89.02447	17.0
93.03445	76.7
96.95995	19.8
99.00882	11.9
103.57893	8.3
113.99580	47.0
115.00378	50.4
119.04994	10.4
133.02924	19.5
135.04436	10.2
147.04500	13.2
157.01361	21.6
161.08249	16.3
163.66309	7.1
165.05551	29.4
175.02426	34.3
175.04021	20.9
177.05498	12.8
193.05020	22.7
203.03491	28.6
203.08173	10.0
216.71211	7.5
221.02644	11.2
221.04547	100.0
222.45505	8.1
222.58282	7.1
313.11462	17.5
461.02209	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	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.4
58.00581	3.7
59.01378	13.0
61.98838	13.0
66.15141	1.8
69.17786	5.6
69.18203	13.8
71.01384	7.5
72.99319	3.2
73.02959	2.2
75.00868	3.7
78.91909	3.8
83.01366	2.0
87.00883	4.8
89.02460	2.3
93.03464	54.7
99.00878	7.1
99.08144	16.8
101.02441	3.2
107.05024	4.3
113.02435	2.4
113.99590	31.9
115.00376	43.5
119.05016	7.7
121.02902	3.1
123.04527	26.1
127.00275	1.9
127.07660	25.8
129.01965	3.4
129.05583	14.4
131.05029	2.3
133.02969	16.2
135.04555	4.2
147.04503	3.4
149.06076	4.1
153.05534	13.8
157.01416	2.1
163.04025	4.6
165.05562	20.1
171.06642	4.5
173.40216	2.1
175.02460	35.4
175.03929	1.4
177.05566	5.9
181.05020	6.1
189.07686	13.1
193.05063	21.8
195.06532	2.6
201.05464	2.5
213.19847	1.9
221.04533	100.0
222.04913	3.6
237.60284	1.8
247.62657	1.9
263.05655	4.4
281.06622	4.0
285.09753	2.6
371.66025	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	485.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
57.03452	1.9
58.00577	1.7
59.01381	40.9
61.98826	1.5
70.29711	2.6
71.01377	26.7
72.77253	1.2
72.99283	1.5
73.02962	2.5
83.01397	9.0
85.02962	6.7
89.02448	24.3
96.04583	1.5
99.00871	1.4
101.02438	33.8
113.02445	7.3
119.03493	9.9
119.05032	3.3
123.04504	2.6
127.07652	2.2
129.05611	3.5
131.03482	1.8
140.03517	1.8
145.07693	4.4
151.48611	1.3
153.17206	1.1
160.06403	14.7
161.07204	74.5
162.07520	3.1
163.04088	2.7
173.10840	1.5
175.08751	29.4
176.08980	1.5
179.05548	3.0
185.10815	1.6
187.08807	5.6
189.06668	100.0
190.07001	4.8
201.10278	4.9
203.08270	29.3
203.11842	7.1
204.08517	1.5
229.09824	12.7
236.63464	1.2
241.09752	4.9
244.80916	1.3
277.11850	2.0
289.98694	1.1
305.07932	1.9
305.11426	39.5
306.11685	2.7
323.12457	7.9
417.35971	1.5
467.17056	2.1
485.17734	96.4
486.10913	3.0
486.18091	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	485.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21293	0.7
53.31839	0.8
55.01888	0.8
57.03448	1.4
59.01380	39.7
61.98814	1.9
69.44173	4.8
69.44580	1.5
71.01379	24.0
73.02950	1.7
74.74163	0.7
83.01349	0.9
85.02946	3.7
87.00877	1.5
89.02444	33.6
90.02766	1.5
95.01387	1.9
99.08164	2.8
101.02446	20.0
102.02737	0.9
113.02451	11.4
119.03500	15.0
127.07659	9.9
129.05585	20.2
131.03545	2.1
133.05037	1.2
133.54980	0.8
133.60400	0.8
143.03499	2.3
149.04498	1.0
151.06119	18.2
153.05606	1.2
161.04526	3.0
171.06639	3.4
179.05592	11.4
189.07664	2.0
215.99641	0.7
295.10272	1.4
313.11395	100.0
314.11664	4.2
419.96732	0.8
485.12262	1.1
485.18735	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	485.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03423	0.8
58.00597	1.3
59.01378	38.3
59.80078	0.6
61.98836	5.1
62.99661	0.7
69.61582	2.2
69.61998	1.9
71.01380	28.0
72.01695	0.7
72.99311	1.3
73.02942	1.7
78.91877	1.0
78.95848	0.8
83.01395	1.6
85.02944	4.7
87.00890	1.1
89.02443	36.8
95.01395	0.9
95.47428	0.7
97.02956	0.7
98.20640	1.0
99.00909	0.6
99.08147	1.4
101.02438	17.9
113.02448	10.6
113.06354	0.7
119.03496	15.2
127.07643	5.6
128.03517	1.2
128.07994	0.8
129.05547	4.0
131.03470	1.3
132.08548	0.6
133.04974	0.9
134.90514	0.7
143.03539	2.5
149.04573	1.3
151.06131	17.8
161.04533	1.9
171.06647	2.9
173.07169	0.7
179.05608	9.3
181.13292	0.8
189.07791	0.9
313.11392	100.0
314.11917	4.5
485.17841	3.4
486.25342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97678	2.8
59.01376	100.0
71.01379	10.7
72.99285	2.7
76.14915	2.8
85.02940	4.8
101.02435	6.1
113.02422	5.9
117.65713	3.4
129.05574	5.8
134.50528	2.9
166.77513	3.5
180.82645	3.0
189.07643	4.1
211.43561	3.3
355.01071	3.4
415.55521	3.3
485.23621	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	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35715	4.3
52.25919	4.3
52.97946	4.4
53.50305	4.3
59.01360	14.7
61.98074	4.3
61.98823	7.6
69.18596	39.2
71.01370	10.2
73.88927	4.7
98.38077	4.5
113.02431	5.9
118.75085	5.3
122.74007	4.8
131.14499	4.4
189.07628	7.7
200.15292	5.2
215.88196	5.4
277.21719	100.0
278.22168	9.7
291.23254	9.3
320.72858	4.9
441.33661	5.8
485.32941	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	485.3649
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
57.03439	1.1
69.03452	3.3
69.29171	5.0
71.01377	12.9
71.05022	1.8
78.95898	10.6
80.96304	1.4
87.31113	0.5
96.96948	1.3
111.30417	0.6
152.99577	14.6
153.99907	4.0
155.00008	5.6
171.00717	1.0
173.86214	0.6
227.03226	2.3
228.03566	1.6
229.03729	1.9
245.04179	0.6
255.23277	59.8
256.23615	47.7
257.23901	65.3
258.24167	2.2
344.44748	0.6
349.60834	0.6
411.32462	1.2
413.34384	3.1
421.34775	6.2
425.34210	1.3
427.32275	1.6
441.37326	3.3
465.33792	0.6
485.27881	43.1
485.36273	100.0
486.28217	2.6
486.36606	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37619	0.8
56.68016	0.9
69.73174	3.4
69.73586	2.0
89.02467	1.0
109.30840	1.1
119.05032	90.5
120.05353	1.9
134.10818	1.0
143.11917	1.1
145.02985	5.6
161.06035	1.6
163.04016	100.0
164.04346	4.5
189.01904	3.0
205.04926	1.3
234.46654	1.0
325.09286	14.6
376.10236	1.0
417.35141	1.1
462.59213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
61.98816	3.1
67.42099	1.9
68.12241	1.8
69.45084	14.3
71.01383	7.0
73.02958	3.1
78.78341	1.9
80.91740	3.1
85.02962	3.3
88.04024	9.2
89.02429	4.1
93.03464	5.3
95.10417	1.9
95.35851	2.6
98.19978	3.5
101.02458	7.2
113.02456	7.2
115.60584	1.7
117.03452	4.2
119.05029	92.0
120.05343	4.2
121.02961	2.2
132.05809	2.1
133.06610	9.3
143.11902	2.7
145.02959	20.7
160.06210	2.1
161.04639	4.9
161.06088	16.5
163.04007	100.0
164.04318	3.3
167.92827	2.2
172.10988	2.7
187.04013	7.2
194.22432	1.9
205.05081	24.6
218.55453	1.9
229.13033	6.7
235.06131	5.2
265.07214	3.3
286.15344	2.3
291.04895	2.0
303.30060	2.0
325.09232	8.8
428.03220	2.1
487.14822	4.6
487.25235	27.2
487.33966	2.4
488.25153	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	487.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27428	0.5
57.03444	9.8
59.01374	12.9
61.98816	0.9
69.37818	4.8
71.01373	3.6
71.96851	0.6
73.02949	1.9
83.05022	0.7
85.02956	1.5
90.56937	0.6
96.96040	1.0
99.08154	58.9
100.08457	0.8
101.02444	2.7
107.05008	0.7
109.06508	0.6
113.02413	1.7
114.96122	0.6
119.05025	2.7
120.02122	1.4
120.88226	0.8
121.06541	1.0
123.04504	1.0
127.07648	62.3
128.07976	1.5
129.05574	49.2
130.05902	0.9
138.03220	5.7
149.44316	0.6
153.05566	100.0
154.05908	2.8
161.04588	7.0
163.04031	1.6
171.06624	14.9
172.06880	0.8
189.07692	2.1
315.10770	5.5
316.11154	0.7
469.16983	1.4
487.17676	6.0
493.26370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90670	0.6
57.03447	7.3
59.01375	9.8
61.98823	7.2
70.85947	1.0
70.86292	0.7
71.01373	2.0
73.02941	1.2
73.20825	0.7
81.00074	0.6
85.02958	0.7
99.08152	29.8
100.08521	1.2
101.02456	1.7
113.02445	1.1
119.05021	3.8
120.39394	0.6
123.04516	16.5
124.04845	1.0
127.07643	39.7
128.07980	1.2
129.05569	28.6
130.05916	0.8
135.04500	1.3
138.03220	3.3
145.02948	1.2
145.08777	0.7
153.05563	100.0
154.05919	3.2
161.04543	4.3
161.05887	1.0
163.03976	5.9
171.06628	9.6
189.07700	5.3
195.06569	2.9
205.05049	1.1
252.29305	0.6
291.02850	0.8
315.10822	13.3
316.11069	1.1
325.12881	3.2
332.27325	0.7
357.12137	0.8
469.16821	1.5
487.18143	27.0
488.18417	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	487.21
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67622	1.7
55.01868	8.7
59.01385	7.4
61.05924	1.7
69.03451	2.4
69.55068	9.6
69.55478	2.8
71.01383	30.3
73.02946	11.5
77.19353	1.8
83.01381	52.6
85.02986	2.9
87.00872	20.6
97.62449	1.8
99.00869	14.9
111.00883	70.8
112.98835	12.7
115.00333	3.9
129.01993	11.6
145.01413	7.6
154.99861	48.4
256.23590	3.9
257.23749	3.0
273.22189	5.0
277.21707	100.0
278.22073	8.5
289.21735	3.4
291.23306	22.6
301.21829	2.4
309.30392	2.3
319.22687	7.9
389.23380	2.7
423.35861	3.7
457.36685	14.8
486.36832	33.7
487.37878	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
59.01379	100.0
61.98828	9.4
71.01380	17.1
71.50665	1.8
73.02950	15.2
75.00877	1.5
75.46719	1.2
83.01395	5.2
85.02942	3.4
89.02452	5.8
96.96014	1.3
99.08183	3.7
101.02443	16.5
113.02428	5.0
113.06104	2.2
119.05038	3.6
123.04465	1.7
127.07661	5.4
129.05611	2.4
135.02982	2.1
135.04524	1.3
137.09669	1.4
138.03154	1.2
143.03593	1.3
147.04480	1.7
149.04564	2.4
151.04027	1.9
153.05554	11.0
153.09235	4.5
161.02478	1.5
161.04584	4.3
163.04005	4.8
165.09206	7.3
171.06618	1.6
187.11226	2.9
205.12285	3.9
223.13408	18.0
226.06363	9.2
241.08687	9.6
289.10889	3.7
409.02005	1.2
487.34369	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	488.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58018	0.6
55.01880	1.4
59.01380	18.2
61.98831	0.9
63.42081	0.7
70.02985	0.8
71.01392	4.8
71.05015	4.0
80.05059	2.4
82.02991	4.4
83.01396	4.7
83.05032	11.7
84.97476	0.6
85.02944	1.4
86.02481	4.9
87.00913	1.3
89.02450	2.2
90.14033	0.9
95.08088	0.7
96.04552	6.4
98.02478	24.6
98.06126	6.7
99.04500	0.9
101.02429	2.5
108.04565	13.0
110.83820	0.9
119.03516	1.3
124.04039	12.3
126.05605	8.8
127.00396	3.4
142.05122	6.7
142.62436	0.7
152.03539	13.3
161.04697	0.8
163.03989	1.1
168.03014	10.0
170.04585	35.9
171.04910	1.3
196.02505	69.6
197.02820	2.2
197.06018	5.6
214.03563	62.9
215.03914	2.5
224.04697	1.7
225.05545	23.5
226.05983	2.0
240.07932	8.2
245.19066	1.1
258.03537	64.4
259.03867	4.9
273.05899	100.0
274.06317	7.2
289.18115	2.4
290.18411	1.6
301.56027	0.8
307.19080	2.4
308.19492	2.9
382.11362	1.2
449.96991	0.8
462.32843	0.8
470.08804	0.7
486.39005	0.8
487.25778	1.2
487.33875	1.1
488.10260	2.6
488.25815	3.6
489.27121	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	488.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	1.8
59.01379	34.4
61.98831	100.0
69.72875	1.2
71.01382	4.6
75.00896	1.7
89.02447	1.6
91.20397	1.5
100.26102	1.4
101.02446	2.6
120.64864	1.2
121.02943	1.8
130.57828	1.3
133.02979	1.7
134.03734	6.0
135.04535	12.6
136.04872	1.7
137.02466	5.2
139.04025	2.0
152.01147	1.4
178.02681	2.9
179.03470	13.8
224.80368	1.4
291.00601	1.2
302.31778	1.4
315.07095	3.3
316.07458	3.2
327.14606	1.5
358.60623	1.5
425.14539	47.6
426.14740	4.0
489.23743	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	488.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
66.33157	1.5
71.01377	14.2
71.23933	3.8
75.00836	1.8
89.02458	2.1
96.23077	1.5
101.02454	4.1
102.05611	39.0
108.96619	1.7
115.00368	31.8
116.35590	1.6
128.03546	27.6
137.21049	2.0
145.01416	4.0
145.06171	4.9
146.04591	100.0
147.02997	34.4
147.04843	1.9
179.05551	2.9
179.37961	1.7
224.20781	2.0
225.58517	2.0
245.56493	1.7
316.95706	2.1
326.74936	1.6
334.58484	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	488.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98014	1.9
58.00575	4.2
59.01376	97.4
61.98828	7.6
71.01377	65.7
71.50212	1.5
72.99287	4.2
73.02940	1.4
75.00856	1.9
82.99608	7.4
83.01365	1.6
85.02940	10.4
87.00866	4.3
89.02440	93.1
93.03436	6.1
95.01395	3.8
97.75634	1.3
98.52589	1.3
101.01797	2.3
101.02435	28.5
109.01665	2.2
113.02451	24.8
117.03452	1.5
119.03496	32.7
119.04969	13.3
120.01245	70.3
121.02909	1.3
123.04510	1.2
131.03490	4.0
131.04971	1.9
137.09724	13.4
143.03516	8.2
143.04996	3.1
145.02924	4.0
145.06538	2.1
149.04576	3.6
161.04552	10.5
161.09723	7.9
163.04027	6.6
171.04343	1.4
179.05597	50.3
180.06136	1.3
187.11282	25.6
210.06934	1.9
211.07619	21.0
221.10028	100.0
222.10313	7.4
223.07542	6.1
229.13063	1.5
237.09178	8.8
239.10745	5.2
252.58090	1.3
255.03119	1.8
259.14182	1.6
265.08731	6.7
266.08209	2.4
309.07874	3.1
325.10562	1.4
327.08713	21.0
369.09842	3.5
470.22586	2.9
488.19455	15.3
489.14172	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	489.1041
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.07288	0.3
56.51442	0.3
59.01369	1.5
63.02397	0.4
69.16867	3.3
74.90497	0.3
83.01386	0.4
85.17264	0.3
87.25163	0.3
91.60763	0.3
98.19863	0.5
107.01399	1.1
109.02980	0.4
114.17412	0.3
117.03500	0.4
119.05013	0.4
125.02405	0.3
127.18987	0.3
131.05045	0.4
151.00365	2.1
153.01973	0.5
163.00348	0.5
165.01939	0.3
169.06580	0.4
174.03268	0.5
178.99948	0.6
183.04541	2.1
185.02393	0.5
187.03987	0.7
211.03960	1.9
213.05560	0.6
227.03490	81.5
228.03845	4.9
229.04996	1.1
239.03532	0.6
241.05089	0.6
255.02979	100.0
256.03558	13.6
257.04440	1.4
264.46643	0.3
269.04324	0.6
283.02615	0.5
284.03259	67.6
285.03967	26.0
286.04382	1.3
327.05124	1.4
489.10367	96.5
490.10742	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	489.14
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
57.00081	1.9
58.00595	2.2
59.01377	67.7
61.98835	3.6
62.04656	1.9
62.29702	1.7
62.68579	1.8
71.01382	38.7
71.39114	2.0
71.50432	2.2
73.02917	4.2
75.00851	2.3
82.99582	3.3
83.01402	2.6
85.02943	10.2
85.12785	1.6
86.40744	2.0
87.00871	2.4
89.02442	41.4
90.02773	2.4
93.03454	34.2
95.01351	2.7
96.99314	2.5
99.00879	3.6
101.02443	17.0
108.02137	3.0
110.02541	2.1
113.02452	16.4
115.00375	6.8
117.03448	12.6
119.03503	11.2
119.05020	100.0
120.01232	9.9
120.05357	4.8
121.02955	4.4
123.04507	4.8
130.04245	3.1
131.04996	8.4
132.05804	2.1
133.02852	2.4
133.06604	4.6
134.03778	2.7
135.04533	2.5
137.02483	2.2
137.09698	2.5
143.03476	5.7
143.05005	15.3
145.02950	37.9
145.06557	8.5
147.04593	3.2
159.04478	5.2
161.04550	8.3
161.06081	10.7
163.03998	50.4
171.04518	7.1
173.79163	2.2
177.02003	2.4
177.05582	7.4
179.05589	13.8
187.03999	6.8
187.11273	3.3
188.11543	2.4
205.05127	6.2
210.06879	24.3
211.07637	73.5
212.07996	5.5
221.09981	11.4
222.06859	5.3
222.10324	9.4
223.07646	46.1
223.09596	1.8
224.08131	4.2
227.03479	4.4
228.03903	2.2
235.07658	5.5
236.08366	3.0
237.09172	61.2
238.09854	5.7
239.10770	35.0
253.08670	9.9
255.02992	4.8
263.06979	2.8
264.07861	3.5
265.08871	31.7
267.12610	2.4
283.09741	14.2
309.07629	10.9
325.10275	7.4
327.08685	83.7
328.09122	7.4
369.09750	17.1
373.13046	4.0
385.35724	1.9
394.60410	2.2
429.11725	3.7
489.14105	65.6
490.14395	5.5
490.22992	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	489.1402
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
54.67111	0.6
59.01373	1.4
70.78298	1.2
71.01382	2.8
74.59664	0.7
89.02413	0.8
93.03456	17.0
96.99303	2.3
99.12720	0.6
99.13438	0.6
108.02171	1.9
109.02946	0.6
115.00386	3.8
117.03427	1.6
119.05025	17.8
120.05368	1.0
130.04230	2.6
131.05032	6.7
132.05788	1.1
133.02943	0.7
133.06602	0.9
143.05028	6.5
145.02945	3.9
145.06601	5.0
145.78627	0.6
147.04463	1.9
149.15260	0.5
159.04494	4.2
163.04002	6.1
171.04550	4.0
177.05557	2.4
178.50787	0.6
210.06822	9.3
211.07635	28.7
212.07986	1.5
215.03511	1.0
219.08128	2.2
222.06853	1.5
223.07614	5.0
235.07610	5.5
236.08359	1.7
237.09190	55.2
238.09773	5.9
239.10754	11.9
240.11217	0.9
250.06354	1.1
253.08682	7.3
254.09004	0.8
263.06955	1.4
264.07861	5.1
265.08676	16.2
266.09079	0.7
283.09641	1.3
308.06879	1.3
309.07623	2.4
327.08734	1.9
373.12909	2.3
413.24924	0.8
489.14011	100.0
490.14420	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	489.1399
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
57.84813	0.6
59.01375	5.9
64.72067	0.6
66.63336	0.6
67.33070	0.7
69.40258	5.0
71.01379	8.7
73.02941	1.4
85.02958	1.6
87.00890	0.9
89.02421	4.6
93.03452	14.3
98.19909	1.5
101.02442	2.9
111.53918	0.7
113.02428	2.9
115.00371	1.9
117.03371	0.8
119.05022	85.7
120.01282	1.4
120.05354	2.1
123.04527	1.0
131.05034	2.4
132.05821	4.2
133.06529	1.6
143.04977	1.1
145.02948	1.5
145.06564	3.5
159.04506	0.8
161.04622	0.8
162.67184	0.8
163.04001	42.7
164.04442	1.6
177.05560	11.8
179.05629	0.8
209.06146	0.7
210.06841	19.4
211.07622	100.0
212.08008	5.6
223.07643	3.4
237.09204	7.5
239.10751	24.3
240.11093	1.9
253.08659	2.1
265.08679	1.3
283.09732	9.7
327.08673	5.6
365.77206	0.8
369.09915	1.0
373.12869	4.2
489.13974	75.5
490.14410	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	489.1399
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
52.08980	0.8
59.01358	3.5
69.78411	4.6
71.01373	3.3
78.86641	1.0
87.00848	1.1
89.02427	1.3
93.03450	17.7
96.99308	3.4
99.70579	0.8
101.02468	1.0
108.02147	2.4
109.02959	1.0
113.02419	1.1
115.00368	3.6
117.03482	1.5
119.05014	25.8
120.01169	1.0
123.04491	1.1
130.04282	1.5
131.05013	5.7
133.02950	0.9
134.45407	1.0
141.09395	0.8
143.05005	5.3
145.02968	3.4
145.06596	4.6
146.04665	1.2
147.03064	1.2
147.04501	1.8
147.06630	4.1
159.04518	4.1
163.03992	14.5
171.04492	2.9
171.22604	0.8
177.05522	4.3
210.06816	8.3
211.07617	39.3
212.07935	2.4
219.08119	1.7
221.09773	0.9
221.67241	0.9
222.06876	1.4
223.07645	4.5
235.07680	5.7
236.08206	2.4
237.09186	51.2
238.09666	5.1
239.10756	14.2
240.11038	1.4
250.06247	1.3
253.08688	5.6
253.64796	0.9
263.07178	2.1
264.07968	4.0
265.08685	16.1
266.09058	1.7
283.09805	2.6
308.06906	2.2
309.07510	2.5
327.08731	3.2
373.12845	1.4
466.73798	1.0
489.14011	100.0
490.14331	12.4
501.77142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40070	3.2
59.01370	8.8
71.01373	41.8
71.04996	4.7
71.48964	5.9
76.75392	3.4
87.00836	4.1
89.02455	7.0
93.03464	8.7
101.06050	11.2
102.11372	3.1
103.03959	7.2
108.02138	4.2
115.00372	87.3
119.04988	14.3
129.01906	6.7
146.04553	8.2
147.02994	100.0
147.06610	52.7
163.04004	6.0
179.05569	6.6
182.12215	3.5
211.07625	21.1
223.07561	4.0
237.09230	26.5
239.10695	6.0
241.86584	3.2
265.08661	8.1
327.08655	4.2
489.13989	43.8
490.14771	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28465	3.2
51.73454	3.1
56.13640	2.8
59.01381	32.3
61.98834	4.9
66.43000	2.9
71.50327	5.0
87.79716	3.1
101.02358	2.7
103.70910	3.8
129.72629	3.4
139.32948	2.8
143.33890	3.0
165.12842	11.3
184.71890	3.4
197.02170	5.6
227.03413	4.9
247.20657	4.5
284.03015	4.3
291.19644	100.0
292.19861	9.5
489.21896	3.9
489.33560	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	0.7
61.98824	0.6
71.01392	2.5
73.02949	1.1
75.88774	0.5
82.15304	0.6
89.02446	1.4
97.88001	0.5
101.02456	2.5
106.59136	0.7
111.44825	0.6
113.02452	1.4
119.03497	0.6
127.07664	1.0
161.04546	0.6
171.06619	1.2
187.06125	0.5
211.07797	0.7
229.63400	0.8
250.24490	0.6
283.11090	0.6
327.08597	0.8
381.13632	1.8
381.18127	0.6
383.10010	0.6
395.92230	0.6
415.69849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07969	1.2
56.73365	1.2
59.01376	100.0
62.67789	1.1
69.41289	1.8
69.41695	8.1
71.01372	7.3
73.02943	2.3
85.02933	2.7
89.02422	2.8
98.19904	2.6
99.04490	1.8
101.02456	7.2
113.02454	2.7
115.03989	1.8
117.05561	1.4
119.03500	1.4
161.04532	3.7
161.08191	22.1
351.18271	2.0
369.19077	3.6
387.20172	15.9
429.21109	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	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01376	100.0
60.01709	0.6
61.98827	11.7
70.15054	1.6
71.01387	2.3
73.02977	0.5
81.44305	0.4
82.93666	0.4
85.02943	0.9
87.00882	0.5
89.02455	1.0
91.74369	0.4
93.03447	0.6
93.88163	0.5
99.08157	3.4
100.08506	1.0
101.02454	1.2
109.17339	0.4
110.73671	0.6
113.02471	1.2
119.05038	1.2
127.07663	3.4
128.07962	0.8
129.05600	1.2
129.08177	0.5
130.05914	0.7
131.06015	0.7
137.93010	0.4
153.05573	6.2
154.05917	2.3
155.06152	1.6
161.04561	0.7
163.03978	0.9
171.06609	0.6
171.57024	0.6
237.09291	1.0
312.10165	0.8
317.11523	0.5
327.12482	2.0
406.88782	0.5
408.55743	0.5
465.55902	0.5
489.14276	1.9
489.27179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03424	1.1
58.00588	0.6
59.01378	27.1
61.98827	2.3
63.63944	0.5
69.03443	0.8
69.13192	1.1
69.13591	4.2
71.01382	13.1
71.05008	0.6
72.99313	0.7
73.02940	1.7
80.36527	0.5
81.03422	0.5
83.01367	1.3
83.05021	1.0
85.02951	4.3
87.00838	0.5
87.16137	0.5
89.02441	8.6
95.01386	1.1
97.02974	0.5
97.06586	1.2
98.02451	0.5
99.00883	0.9
101.02447	8.0
113.02467	4.4
119.03483	2.7
125.09737	1.0
127.07650	0.8
127.11295	1.2
155.10777	3.8
161.04460	0.8
165.12825	1.7
170.04578	1.0
171.04608	0.7
171.10255	8.4
183.13901	1.3
185.11731	1.4
196.02469	1.5
209.11697	1.3
211.13379	5.5
214.03537	1.3
215.03857	0.9
221.11876	0.6
223.13443	0.6
226.05986	0.7
227.03510	0.4
227.12840	1.1
229.14435	13.0
230.14748	0.6
239.12874	1.2
247.20642	1.4
249.62230	0.6
255.03036	0.7
258.03729	0.9
273.05917	0.8
274.06268	1.6
291.19635	10.8
292.19870	0.7
303.80972	0.5
309.20740	7.1
311.22067	1.1
327.21793	6.4
328.22217	0.6
365.09052	0.9
391.19760	1.3
429.24463	0.7
436.46552	0.5
471.13916	1.2
489.27032	100.0
490.27301	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	489.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03445	0.1
58.00606	0.2
59.01379	5.1
70.02390	0.4
71.01385	4.0
72.99309	0.3
73.02931	0.7
77.70318	0.1
78.95919	0.6
83.01397	0.4
85.02951	0.9
87.00876	0.5
89.02445	3.1
91.03989	0.3
95.01377	0.3
97.02964	0.2
98.81228	0.1
99.00861	0.2
101.02444	3.9
103.04005	0.1
113.02448	1.8
114.75619	0.1
115.04010	0.2
119.03495	0.9
120.46764	0.1
125.02477	0.2
131.03500	0.2
133.05057	0.3
143.03508	0.3
145.81644	0.1
152.99597	1.1
157.05074	0.2
161.04562	1.4
175.20125	0.1
179.05602	0.5
235.08246	1.2
253.09309	13.2
253.21718	100.0
254.09575	0.5
254.22058	7.0
373.29468	0.1
431.21988	0.2
435.07211	0.1
479.09448	0.1
489.35495	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	489.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03426	0.1
58.00604	0.2
59.01374	5.2
61.98811	0.5
70.65193	0.3
71.01376	3.5
72.99300	0.3
73.02938	0.9
74.60889	0.1
78.95900	0.8
83.01395	0.6
85.02935	1.1
87.00861	0.6
89.02433	2.9
91.03944	0.1
95.01389	0.4
97.02957	0.2
97.06557	0.1
99.00867	0.3
101.02438	3.5
113.02435	1.6
115.04023	0.1
119.03463	0.9
125.02388	0.1
131.03529	0.1
133.05057	0.3
143.03497	0.2
149.04587	0.1
152.99571	1.5
157.05031	0.2
161.04543	1.4
179.05612	0.5
204.32439	0.1
235.08228	0.8
235.20705	0.3
236.93633	0.1
246.55246	0.1
253.09288	11.8
253.21698	100.0
254.09578	0.4
254.22038	6.3
268.92593	0.1
310.48438	0.1
431.21695	0.1
434.48337	0.1
489.35776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.9
69.38976	3.1
69.39379	1.4
91.04031	1.6
95.95056	0.6
115.48337	0.6
143.29179	0.6
265.64468	0.6
269.76294	0.7
355.32120	1.8
405.90027	0.6
489.39435	27.5
490.39917	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	489.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	0.8
60.19173	0.7
61.98846	0.7
69.19531	1.8
69.19945	4.4
83.69480	0.6
85.72178	0.6
91.04036	0.9
120.62537	0.7
125.02444	0.8
173.27472	0.6
195.58867	0.6
286.89313	0.7
355.32385	1.6
410.27023	0.7
489.39545	8.4
490.39966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	4.9
61.98814	3.1
69.24599	1.0
71.01376	1.3
71.50980	1.5
96.95974	1.6
106.55509	1.0
117.27100	1.3
152.99513	1.4
196.25154	1.3
237.01805	1.9
333.08856	3.6
360.07831	1.4
361.08466	4.0
376.07126	2.0
377.07828	3.8
390.09137	6.3
403.05823	2.5
404.06964	7.1
405.07648	13.9
415.06052	6.5
416.06516	2.5
417.07230	2.0
418.08276	1.9
427.05664	1.9
433.06464	29.6
434.07321	4.6
443.05634	2.4
447.30737	2.5
448.08978	8.4
458.07895	3.6
459.08838	17.9
460.08804	2.2
461.00504	2.1
461.06415	37.0
462.06622	4.8
476.07590	13.1
476.13492	2.4
477.08984	2.1
491.10977	100.0
492.11447	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	491.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29615	0.3
57.03448	0.6
59.01377	6.4
61.98810	0.5
71.01382	1.0
73.02931	0.8
83.05038	0.4
87.00889	0.6
89.02447	1.0
91.05540	0.7
93.03458	0.7
94.63079	0.3
99.02731	1.5
101.02418	1.0
105.03416	0.5
107.05001	0.9
108.30573	0.4
113.02454	0.4
115.00326	0.7
116.97249	0.3
117.03447	0.9
119.03547	0.6
119.04980	0.9
121.02943	5.7
132.02162	0.7
133.01393	1.3
134.03697	3.2
135.04541	3.4
142.37531	0.4
147.00883	0.5
147.04532	3.5
148.01591	0.4
149.02434	43.6
150.02774	1.4
161.04562	0.5
162.03220	0.4
163.03987	4.1
164.04787	43.1
165.05087	1.4
175.00397	0.5
179.05666	0.6
179.07115	2.5
180.06583	0.4
190.02718	0.4
193.01418	1.1
195.04538	0.4
207.02985	0.6
208.03749	1.0
209.04361	0.5
223.06094	100.0
224.06445	5.0
225.14920	0.4
227.03433	1.8
229.61815	0.4
241.12657	4.2
255.03011	2.0
269.13910	1.0
271.02115	0.4
282.01904	0.4
284.03281	1.2
310.01254	0.5
313.29459	0.4
329.03043	0.6
329.06656	0.5
331.11777	0.5
385.11172	0.5
389.21112	0.4
448.18768	0.4
473.07492	0.6
483.23022	0.4
491.08362	3.6
491.14581	0.7
491.20456	0.9
492.08585	0.7
492.15460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12033	3.6
59.01380	11.0
60.99294	13.8
61.98822	7.6
69.90215	10.9
69.90639	7.6
78.95898	9.1
88.98804	100.0
90.07246	3.7
141.65855	3.4
179.68356	3.4
189.07693	6.4
195.13911	10.0
205.12280	10.3
212.95920	3.7
223.13382	100.0
224.13789	5.8
278.97198	4.8
295.22784	9.1
428.21317	3.9
460.09915	4.2
480.35306	3.8
491.11179	5.3
491.28677	5.0
492.27536	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	491.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09764	1.1
59.01379	100.0
60.01698	1.3
61.98827	10.4
71.01382	13.0
71.50500	2.2
73.02943	4.8
83.01369	1.9
85.02946	3.4
89.02465	6.0
93.03465	1.8
97.58752	1.1
99.08161	1.7
101.02432	5.0
102.58212	1.2
113.02438	6.2
119.05000	2.7
126.45521	1.3
151.77153	1.4
153.05495	1.2
153.22946	1.1
161.04552	2.3
163.34927	1.2
171.10226	1.2
179.10793	1.4
193.05083	1.4
195.04471	4.3
209.11722	2.6
211.13368	2.2
223.09705	3.3
225.14954	8.9
227.07040	4.0
243.10258	20.8
244.10519	1.5
254.05898	3.9
255.06581	6.0
269.08185	8.3
269.13895	4.2
287.09247	1.5
311.22250	2.0
329.15945	6.6
329.23264	8.8
389.21698	3.0
458.77609	1.3
490.27170	3.5
491.21863	1.9
491.28470	27.4
492.28964	1.9
492.84048	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60948	0.4
51.63018	0.3
52.98701	0.4
55.87978	0.3
58.01594	0.4
59.01381	6.4
61.98822	2.0
63.24345	0.3
70.54265	0.3
71.01375	1.6
71.06982	0.4
72.99303	0.5
73.02954	0.7
85.02937	0.7
87.98164	0.4
89.02438	0.7
91.05537	0.8
93.03435	0.6
101.02439	0.6
106.06640	2.1
107.05035	1.2
113.02437	0.6
117.03442	0.6
119.05011	1.0
121.02953	6.0
122.06140	0.5
123.04521	0.4
132.02126	0.7
134.03705	2.3
135.04541	2.6
147.04503	3.1
149.02440	42.0
150.02802	1.7
152.01155	0.4
162.03273	0.4
163.04030	3.5
164.04793	41.4
165.05118	1.6
174.89362	0.3
179.07101	2.2
179.10774	1.1
190.02684	1.1
193.01428	0.5
205.04982	0.4
207.02974	1.0
208.03760	0.7
209.04626	0.4
223.06114	100.0
223.09720	3.1
224.06393	5.1
227.03340	0.4
285.12057	0.6
311.22128	0.4
329.11472	1.7
329.23370	0.4
333.44919	0.3
385.11304	0.6
491.15533	2.2
491.28625	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	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.3
61.61442	1.4
69.32536	1.5
69.32765	3.9
69.33190	5.4
71.01367	5.5
72.99287	2.0
73.02942	2.0
75.00871	9.4
78.47745	1.4
87.00863	3.5
89.02448	18.2
93.03465	1.4
97.38033	1.4
98.19904	2.2
101.02428	2.3
103.04002	2.0
113.64329	1.4
115.00389	1.2
119.04974	1.9
131.03505	7.6
147.06599	1.4
149.04558	100.0
150.04819	1.4
173.22742	1.1
178.99852	1.6
193.07150	3.4
211.07587	1.7
223.92947	1.4
237.08936	1.2
238.09676	1.7
239.09866	1.8
244.53094	1.2
315.65857	1.1
491.14938	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
67.15115	0.9
71.01382	3.0
71.48557	1.1
72.99310	1.4
73.02953	2.9
75.00869	12.4
87.00842	1.9
89.02444	13.8
96.34599	1.2
103.04047	1.5
122.59182	0.9
131.03499	5.5
134.28052	0.9
149.04553	100.0
150.04884	1.9
174.28958	0.9
179.05489	1.0
480.43338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	40.7
61.98830	8.0
68.87161	1.5
69.62338	10.1
71.01372	11.4
71.90765	1.9
73.02940	2.3
75.00874	2.3
85.02943	2.4
85.52855	1.7
89.02448	6.4
89.78931	1.8
93.03462	4.9
96.96014	1.9
101.02435	5.1
103.00381	2.9
105.04778	2.2
106.06660	1.7
113.02434	2.5
119.05070	5.7
122.06125	3.0
123.00856	2.1
132.04539	6.2
134.06149	10.4
149.02487	2.0
160.04074	7.8
161.04785	15.0
162.05592	27.3
187.05103	3.1
188.07100	2.2
193.03799	20.6
210.05678	2.0
214.08765	13.1
226.08955	10.2
241.06160	12.8
254.07005	4.5
255.07791	2.1
257.09341	63.6
258.09583	3.4
265.12286	2.8
268.09607	5.1
269.09290	47.8
270.09647	5.0
283.10870	3.2
285.12457	23.5
293.09439	3.7
311.10373	100.0
312.10812	8.8
329.11404	77.2
329.15335	3.7
330.11627	3.7
337.88120	1.7
343.13168	2.6
353.11414	36.5
354.11758	2.4
360.60535	1.6
371.12469	28.8
372.12952	2.4
401.13846	2.4
413.13550	2.7
431.14536	8.2
491.16229	3.5
492.24664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.51344	3.2
69.61258	12.4
69.61665	11.4
71.01377	31.4
72.38582	3.6
73.02946	18.8
73.24966	4.4
83.01369	6.1
85.02937	8.2
85.65527	3.5
89.02431	16.9
93.03403	5.2
101.02442	28.6
108.04569	8.8
113.02414	6.7
119.04969	5.2
120.04540	6.5
134.06111	11.9
161.04555	5.2
164.03534	13.6
176.03439	7.0
283.10660	6.8
300.02890	4.9
311.10287	28.2
385.93362	3.6
491.09372	6.9
491.16675	93.7
492.16864	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
57.11283	2.0
59.01376	100.0
61.98838	2.1
62.86931	1.8
71.01375	43.0
71.09155	5.0
72.99288	3.6
73.02940	23.1
75.00873	8.1
83.01405	5.7
85.02948	13.4
87.00874	2.8
89.02429	23.7
93.03466	5.8
95.01369	6.2
95.47799	2.2
97.60157	2.2
99.00858	3.6
101.02431	30.5
103.00357	10.6
103.03995	3.4
113.02438	30.5
115.00388	2.2
119.03479	8.3
119.04996	2.5
143.03529	3.0
161.04572	6.2
163.11391	3.8
164.07088	2.4
179.05571	3.4
179.08221	2.4
181.12296	2.8
211.20200	2.3
218.83904	2.2
243.16043	5.1
387.20203	71.5
388.20639	8.1
405.21167	20.7
406.21365	3.8
447.22839	10.5
493.56995	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.2
61.98819	8.9
65.28775	2.5
69.71825	6.7
69.72219	6.8
69.82719	2.3
79.03887	2.6
81.53191	2.8
82.61637	3.3
92.95355	2.8
120.37630	2.7
148.97966	2.7
151.22742	2.8
158.41365	2.7
223.13268	4.3
275.20038	3.2
293.21222	100.0
294.21576	7.1
389.69583	2.8
491.15323	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	491.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19669	0.5
59.01375	100.0
60.01689	0.6
61.02656	0.4
61.98859	0.7
63.28887	0.5
69.25246	4.2
69.69675	0.5
71.01389	1.9
83.01405	0.5
85.02947	0.7
89.02439	0.6
92.90102	0.5
101.02467	1.1
113.02480	0.8
127.07585	0.6
176.05151	0.6
193.04802	0.6
223.09764	0.7
254.76591	0.5
271.29141	0.6
329.23575	1.6
491.16165	0.7
491.28613	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01697	1.0
61.98828	3.2
63.44238	0.4
69.40252	2.8
71.01378	3.0
73.02945	0.7
77.21207	0.4
83.01419	0.8
85.02946	1.1
86.39909	0.3
87.00887	0.6
89.02460	1.1
93.03479	0.6
95.01403	0.6
98.19904	0.8
99.08135	0.5
101.02443	2.5
106.06631	2.7
108.02161	3.0
109.02962	1.3
110.53354	0.4
111.61639	0.4
113.02492	1.4
119.03530	0.6
119.04998	1.9
127.07655	0.6
129.05573	1.6
150.05624	2.0
152.01129	2.3
153.01956	1.2
155.04938	0.4
161.04539	0.5
163.04022	0.9
171.06796	0.5
174.29143	0.4
179.10730	0.5
183.04399	0.6
211.04019	0.5
221.06683	0.4
223.09735	0.4
225.05594	0.7
227.03474	13.9
227.16614	0.6
228.03799	9.7
229.03958	10.1
242.02242	1.0
251.07153	1.4
252.08052	0.8
255.02971	15.0
256.03333	12.6
257.03519	16.8
258.04236	1.8
268.07404	1.8
270.01715	0.9
283.09698	3.7
284.03244	8.5
284.06094	0.4
285.03702	11.0
286.03876	13.3
287.04544	5.0
313.03491	2.8
315.07294	0.9
328.05902	1.0
329.05667	0.7
371.20697	1.1
389.21799	1.5
431.22720	1.5
448.12387	3.4
491.10983	45.6
491.29080	2.0
492.11224	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83060	0.7
59.01377	100.0
61.98823	1.9
71.01376	9.3
71.50641	0.7
73.02940	13.0
83.01395	3.8
85.02952	1.8
87.00865	0.8
89.02435	3.7
101.02444	12.0
108.08182	0.7
109.02930	1.1
113.02430	5.8
118.06630	2.9
118.98058	1.0
119.03484	1.2
125.02444	0.9
127.07609	0.9
131.03505	0.7
136.07660	3.0
141.23581	0.6
143.03496	1.4
149.04573	2.0
152.07156	2.6
153.09187	4.4
161.04561	7.3
180.06656	10.2
203.05672	0.9
209.15550	4.8
224.05533	2.4
332.29071	0.8
371.20700	5.5
373.18033	0.9
389.21805	1.9
431.13907	0.9
431.22830	6.4
432.23239	0.9
492.15164	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03452	1.3
59.01377	23.0
61.98816	1.6
65.33689	0.4
71.01379	7.8
71.05015	0.5
72.99293	0.8
73.02941	1.8
83.01391	1.6
83.05016	0.9
84.02180	0.6
85.02945	5.5
87.00882	0.7
89.02454	2.2
94.06647	1.0
95.01366	0.8
96.95940	0.6
97.02987	0.7
97.06585	1.0
98.20676	0.9
99.00872	0.7
99.04491	0.5
99.08152	1.6
100.05962	0.6
101.02451	4.4
113.02438	2.6
122.06118	5.6
125.09720	2.1
127.07618	0.7
127.11278	1.9
129.01906	0.5
129.05540	2.5
129.09198	0.6
139.11287	1.9
155.14418	0.7
166.87169	0.5
167.14458	0.9
171.10286	7.9
174.01984	4.5
179.10742	1.2
183.13885	1.8
193.12329	1.1
195.13860	0.7
199.13409	0.9
209.11874	2.1
211.13364	13.2
212.13681	0.6
223.09750	2.3
227.12569	0.5
229.14415	31.9
230.14781	1.4
281.09293	2.8
293.21237	5.9
309.08740	5.3
311.22168	5.5
313.23743	2.4
329.23312	21.9
330.23752	1.5
341.11380	4.2
353.07709	4.2
391.19742	3.1
449.27505	0.9
473.27484	0.9
491.28604	100.0
492.28918	11.0
503.35132	0.5
508.84409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01915	0.7
50.14793	0.6
50.84932	0.6
51.17674	0.6
55.87324	0.6
58.00585	0.8
59.01379	68.2
61.98818	1.0
63.38117	0.6
71.01382	13.4
71.50429	1.0
72.99304	1.7
73.02927	1.2
73.97188	0.6
81.58672	0.6
83.01382	1.6
85.02946	3.9
89.02440	8.8
95.01398	1.3
96.36099	0.7
98.51469	0.7
99.08162	2.0
101.02448	7.4
109.62819	0.6
113.02470	4.4
116.16929	0.6
116.92883	1.0
119.03491	2.0
121.01647	0.6
125.09736	0.8
127.07662	1.1
129.09171	1.2
159.76074	0.7
161.04507	0.8
167.14381	0.7
171.10298	0.8
179.07129	0.9
179.10764	1.4
183.13922	3.7
185.11816	1.3
195.13954	0.8
199.13309	1.0
211.13379	21.5
212.13737	1.6
223.09824	2.0
229.14297	1.4
244.85739	0.7
293.21262	6.0
311.22290	4.6
312.04919	0.9
313.23856	1.8
329.23340	13.9
330.06137	1.7
330.23581	1.4
359.16528	1.1
402.50720	0.7
491.28592	100.0
492.11496	1.5
492.29013	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
58.00589	0.2
59.01379	4.4
71.01382	3.9
72.99309	0.3
73.02945	0.9
74.02448	0.2
78.64370	0.1
78.95919	0.3
81.99355	0.1
83.01390	0.5
85.02959	1.0
87.00873	0.5
89.02442	2.8
91.04001	0.1
92.33159	0.1
92.87498	0.1
95.01385	0.3
99.00871	0.3
101.02438	3.8
103.03983	0.2
113.02450	1.8
119.03505	0.9
123.51835	0.1
125.02428	0.2
130.08754	0.1
131.03448	0.1
133.05061	0.3
133.36113	0.1
143.03488	0.3
143.11923	0.5
149.04379	0.1
152.99561	0.4
157.05046	0.1
161.04549	1.4
179.05663	0.5
229.36273	0.1
235.08241	1.4
237.22191	0.2
253.09286	12.3
254.09663	0.4
255.23283	100.0
256.23627	6.9
269.24832	0.1
409.23633	0.1
447.32260	0.5
448.32706	0.1
456.36530	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	491.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
58.00584	0.2
59.01373	4.7
69.03432	0.1
70.10136	0.3
70.10548	0.2
70.72837	0.1
71.01376	3.5
72.99283	0.2
73.02934	1.0
77.14783	0.1
83.01366	0.4
85.02940	0.8
85.47747	0.1
87.00881	0.5
88.16380	0.1
89.02436	2.9
91.03972	0.1
95.01374	0.2
97.02922	0.2
98.20571	0.1
99.00877	0.2
101.02435	3.7
103.04008	0.2
107.71051	0.1
113.02435	1.6
115.04076	0.1
119.03484	0.9
125.02435	0.2
133.05048	0.4
143.03476	0.4
149.04559	0.2
157.05099	0.2
161.04535	1.5
164.32619	0.1
179.05569	0.4
235.08206	1.4
237.21939	0.1
253.09264	11.5
254.09648	0.3
255.23253	100.0
256.23590	7.4
372.09952	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	492.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14032	0.6
56.95158	0.6
59.01374	0.8
61.98820	2.6
69.38434	4.0
78.95910	2.6
87.49077	0.5
96.96037	0.8
98.19888	1.2
102.85389	0.7
109.06563	0.8
115.08761	1.1
127.11320	1.2
134.17348	0.7
140.01218	0.7
141.12860	7.0
146.06157	0.8
155.14424	3.5
196.03757	1.7
224.04767	1.7
249.22202	7.9
253.05177	0.9
295.22757	100.0
296.23114	6.2
403.09161	0.7
432.10168	1.3
461.10049	1.6
463.11887	1.1
478.14520	1.7
492.26923	14.6
492.33969	1.1
493.16357	6.7
493.27011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1291
Annotation	Bongosin
Peak:m/z	Relative Intensity
54.00826	0.6
59.01376	1.8
61.98816	2.4
69.39109	5.0
71.01378	0.7
85.02943	0.7
96.95962	0.8
123.04551	0.7
137.79697	0.7
154.98782	0.7
182.03745	4.3
183.04483	5.5
195.04460	5.8
196.05060	0.9
210.03232	10.6
211.03987	29.0
212.04298	1.7
223.03975	7.2
224.04713	3.2
225.05411	1.4
225.11317	1.1
237.01874	2.7
238.02745	5.9
238.06329	15.9
239.03470	15.1
239.06921	2.9
240.03871	1.2
240.07736	0.6
253.05022	0.9
334.09677	0.7
351.10187	1.7
356.97580	0.7
361.08673	0.8
362.09430	2.5
363.10086	2.0
373.26691	0.6
377.08163	1.1
379.09668	3.2
389.08136	0.9
390.08923	1.7
391.09711	3.0
393.07806	1.0
402.08835	0.8
406.08481	1.6
406.46527	0.7
407.09171	5.5
417.07764	1.7
419.09073	1.4
434.07816	1.8
435.02783	1.0
435.08734	14.1
436.09109	1.8
438.11050	1.0
445.07385	2.1
446.07928	2.0
447.08493	0.7
449.10461	2.3
450.10919	0.8
461.10226	1.3
463.08209	17.7
464.08551	2.8
477.09708	2.3
478.10501	37.3
479.10962	4.3
493.12900	100.0
494.13269	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	493.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21496	4.5
56.57134	4.0
56.66280	4.4
59.01374	17.4
69.23882	36.5
69.24475	4.5
71.01402	4.6
76.41270	3.9
89.02436	9.5
100.97086	4.6
101.02435	5.0
125.57131	4.6
126.08588	4.1
127.07648	100.0
128.07982	5.6
152.36198	4.5
154.62956	4.0
171.06612	61.3
191.25937	4.9
193.05205	5.0
201.09520	3.9
239.43236	4.4
267.71829	3.7
271.06128	6.3
313.06998	23.5
331.12979	25.7
351.12912	89.3
352.13126	9.2
493.13348	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	493.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60877	1.3
54.52921	1.3
55.43386	1.2
59.01382	25.1
61.98830	41.0
71.01372	6.3
71.50577	1.9
73.02941	2.1
73.06494	1.1
73.42970	1.2
75.00855	2.0
83.01364	1.7
85.02953	2.2
85.64260	1.2
89.02464	1.7
93.03456	1.8
99.08155	1.5
101.02435	3.1
108.04551	5.2
113.02444	3.0
119.05016	4.5
122.06120	7.6
127.07663	2.6
135.04543	1.5
146.06131	1.3
147.03156	1.6
150.02847	1.2
153.05614	2.3
160.04002	13.3
161.04486	2.8
163.04016	3.3
164.04893	2.4
165.05128	1.9
175.02652	2.4
188.03569	9.7
200.10779	1.9
204.02907	1.7
212.06989	1.6
215.11835	1.5
218.04576	17.7
223.06302	2.1
224.06378	4.0
225.06656	3.5
226.03838	3.6
227.08212	1.5
239.08162	1.6
239.11926	4.8
240.05254	1.5
243.09045	2.2
243.11388	20.6
250.08763	3.4
251.08185	2.4
252.08951	1.9
253.06236	3.9
254.07053	2.2
255.06801	1.7
266.08209	1.8
267.04086	4.0
267.07745	5.9
267.11334	13.7
268.09454	2.7
268.73120	1.5
269.09317	9.6
271.09589	1.7
272.04993	1.5
279.11487	1.5
280.04971	2.9
281.05652	10.2
281.08655	1.8
282.06299	3.1
282.09659	1.8
283.07217	8.9
283.10782	5.3
287.10388	3.6
293.05667	4.1
293.09308	3.9
294.07239	2.1
295.07230	12.7
296.07962	6.5
309.08698	5.0
311.10379	100.0
312.10654	8.1
337.08279	19.3
338.08536	2.3
343.13132	3.6
355.09348	56.1
356.09473	3.3
373.15503	9.7
387.11969	66.5
388.12265	6.5
417.14450	5.3
433.28058	4.0
449.17117	2.3
493.16122	48.1
494.16367	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	493.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16513	0.5
61.98822	6.5
95.37642	0.6
96.95995	0.9
98.20657	1.5
112.98302	0.5
137.83466	0.6
139.68272	0.6
163.62111	0.6
178.19150	0.7
211.13350	1.0
233.04585	0.6
267.99341	0.6
295.22879	0.7
374.09552	2.7
392.10391	1.3
402.08942	1.7
403.09647	7.1
404.10645	0.6
417.11215	4.2
418.12106	1.0
419.09268	2.2
420.10016	16.1
421.10370	1.0
435.12366	30.3
436.12653	2.7
444.10269	0.9
446.11618	5.6
447.08362	1.3
448.09238	1.0
459.12393	2.0
460.07059	0.8
460.13251	2.5
461.13937	11.9
462.10358	5.7
463.11963	4.8
475.15509	1.2
477.13422	10.3
478.14178	35.6
479.14645	4.5
493.16608	100.0
494.16898	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	493.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73687	0.6
56.69966	0.6
57.08144	0.5
59.72718	0.5
61.98827	2.5
69.29996	4.6
69.37515	0.5
71.88613	0.5
78.36604	0.5
90.03948	0.5
140.72305	0.5
195.04567	2.0
196.05161	0.7
223.04018	1.3
224.04799	3.8
225.05525	1.9
238.06502	0.8
249.05531	0.8
254.88205	0.5
267.07199	0.5
295.65195	0.6
316.45288	0.5
374.09885	0.6
375.10239	0.7
376.11154	0.7
391.09338	0.7
391.13809	0.7
392.10422	7.0
401.08002	0.9
402.09070	1.4
403.09619	7.8
404.10300	1.2
417.11667	0.6
419.09290	2.2
420.10065	10.5
421.10568	1.2
435.12366	23.2
436.12564	2.1
444.10004	1.1
445.10690	1.7
446.11572	8.1
447.07901	0.9
447.12619	2.0
448.09100	2.7
450.14771	2.1
451.14685	0.8
459.12439	2.8
460.13223	1.4
461.14490	8.1
462.10651	5.1
463.11917	8.8
464.12463	1.2
477.13477	7.1
478.14230	23.9
479.14655	3.0
493.16632	100.0
494.16895	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67402	0.6
53.44621	0.6
55.01868	1.6
57.03449	1.4
58.00591	3.4
58.79675	0.6
59.01377	100.0
60.01703	1.2
61.98043	0.7
61.98831	8.9
69.24773	1.4
69.25185	4.6
71.01379	60.2
72.01700	0.9
72.99306	4.8
73.02950	3.0
74.02489	0.8
75.00877	0.8
83.01386	2.8
85.02949	11.7
85.94243	0.6
87.00873	4.3
88.01104	0.6
88.23892	0.5
89.02442	70.9
90.02753	0.9
93.03487	0.7
95.01382	5.1
96.96017	1.9
99.00866	1.0
101.02438	39.4
113.02445	24.7
113.03271	0.8
113.09473	0.6
115.00375	1.2
119.03497	35.1
120.03781	0.7
123.04470	1.2
125.02439	1.0
131.03496	3.8
143.03497	7.0
149.04549	3.1
159.02988	0.7
161.04555	5.9
164.87270	0.6
179.05611	10.5
313.10980	0.9
331.17426	0.8
463.23438	0.9
493.22922	41.9
494.23260	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	493.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81730	0.8
59.01378	90.0
60.01711	1.3
62.93788	0.8
70.23451	3.0
76.76048	1.0
79.05531	2.9
81.29265	0.9
83.05023	3.3
96.96025	1.1
111.04521	11.4
111.08123	1.2
118.96708	0.9
121.06607	1.7
122.03738	9.6
123.04530	26.1
125.02428	1.4
135.08179	1.3
137.09705	2.2
139.07645	11.3
154.02776	4.3
181.08704	3.6
261.50302	1.1
286.82742	1.0
312.13153	1.0
323.29575	12.6
324.29837	1.0
324.70294	0.9
361.34747	9.8
371.33398	1.8
389.34225	100.0
390.34625	9.9
407.35263	22.8
407.40668	1.3
408.35373	2.2
433.33102	13.9
434.33313	1.2
493.34729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77515	0.5
59.01366	1.1
61.98828	100.0
67.33866	0.5
68.13151	0.6
69.52213	3.6
76.23351	0.5
113.45823	0.5
225.53485	0.5
278.00641	0.5
297.22668	0.5
399.74319	0.5
459.07443	0.5
463.25882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.98827	100.0
64.54373	0.3
65.39936	0.2
67.19717	0.2
69.65207	1.6
90.97743	0.3
98.85728	0.3
119.05009	2.2
140.89093	0.2
163.03989	9.6
164.04370	0.3
269.08206	0.3
273.05484	0.3
288.07755	0.4
325.09274	0.4
431.13513	0.8
431.19867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40289	1.3
61.98824	3.4
63.82998	1.4
69.27200	12.6
78.95904	38.6
96.96939	3.9
98.19821	2.5
103.81181	1.2
129.25009	1.4
141.97043	1.2
152.99579	82.3
171.00589	3.3
172.26967	1.2
196.05263	3.2
224.04774	6.9
225.05513	10.9
255.06464	1.6
289.64963	1.4
333.62109	1.3
379.09985	1.4
393.10989	3.7
397.72586	1.4
401.76691	1.3
403.09439	2.0
404.10068	6.0
405.11133	5.5
421.10547	5.2
422.11462	4.0
431.21930	20.0
432.22018	2.0
436.12610	7.0
437.14111	7.1
443.64511	1.3
446.11398	3.7
447.11929	18.3
448.13083	7.4
449.09601	1.6
451.14969	5.9
461.13712	3.3
462.14212	18.8
463.15524	13.4
464.12424	2.6
465.13354	10.0
479.14810	22.7
480.15689	19.7
494.16873	43.3
495.18097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98580	0.7
70.98908	0.6
71.40845	0.5
98.20026	0.6
98.60744	0.5
160.45004	0.6
167.05014	1.2
169.06580	9.0
171.04541	3.2
185.06027	4.1
191.26256	0.5
197.06065	0.6
199.03944	1.2
211.04008	3.2
212.04787	2.1
213.05566	34.2
214.05907	1.9
223.04010	0.7
224.04791	0.7
225.05545	1.0
239.03514	6.7
240.04237	3.6
241.05043	54.1
242.05373	2.5
255.06580	6.3
256.07367	2.0
349.12219	0.6
375.10129	0.6
393.11362	1.4
409.10474	1.4
420.10037	0.7
421.10574	1.0
436.09723	2.2
437.10062	2.3
447.08414	0.5
462.11163	0.5
463.11917	1.4
464.12573	0.7
465.09595	6.3
466.10275	1.0
479.11249	5.5
480.12088	30.3
481.12512	3.4
495.14465	100.0
496.14804	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	495.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92478	0.6
56.92107	0.6
61.98818	0.8
119.08617	0.7
147.82829	0.6
195.04578	0.8
196.05267	0.9
197.05992	0.7
199.04001	2.9
200.04781	1.1
211.03955	1.8
211.13559	0.8
212.04745	0.9
213.05589	2.5
224.04802	1.1
225.05406	0.8
226.06540	0.7
227.03532	2.0
229.31686	0.8
239.03377	1.6
240.04350	1.0
241.05052	6.2
249.05553	1.6
255.02948	1.6
255.06656	1.1
256.07346	0.7
277.75516	0.7
300.50668	0.6
337.88892	0.8
365.11993	0.8
367.09860	1.1
375.10156	2.3
376.10989	0.9
391.09695	1.3
392.10852	1.0
393.11206	2.1
401.08490	1.6
403.09650	2.2
404.10379	1.0
409.10941	1.5
418.08112	1.0
419.09174	8.7
420.10031	3.2
421.10992	4.6
429.07816	1.2
430.08774	0.8
431.09286	2.9
435.12964	0.8
437.10239	13.1
438.10413	1.2
446.12024	1.1
447.08533	8.1
448.09430	3.9
449.10281	4.2
450.10666	1.4
451.11884	2.2
452.12714	1.7
461.10339	4.0
462.11008	11.1
463.11694	8.0
464.07968	1.0
464.13177	1.5
465.09024	13.3
466.09937	1.8
477.13446	6.9
479.11346	5.4
480.11996	4.9
495.14465	100.0
496.14682	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	495.1448
Annotation	Tafricanin B
Peak:m/z	Relative Intensity
51.15393	0.4
53.72598	0.5
59.01361	1.2
60.49720	0.5
61.98805	1.5
71.50456	0.4
72.66273	0.5
73.84351	0.4
80.16280	0.4
86.92706	0.5
93.03423	0.5
93.61052	0.5
131.07999	0.5
143.05045	0.5
145.02905	0.6
171.10303	0.6
195.04556	0.7
211.03990	2.3
211.13281	0.8
212.04698	2.0
213.05273	0.9
223.03813	0.9
224.04774	2.4
225.05417	2.1
226.06331	0.5
229.04935	0.6
239.03458	4.2
239.07170	0.5
240.04115	0.8
240.07877	0.7
241.04918	1.0
255.06540	0.9
349.08359	0.6
350.09607	0.6
351.10336	1.3
375.10239	5.7
376.10904	4.4
377.11490	1.4
391.09576	1.5
393.11017	1.4
403.09335	1.1
403.24976	1.0
405.11426	4.2
417.07407	0.6
419.03851	0.8
419.09210	10.3
420.10007	4.4
421.10812	12.8
421.25861	1.1
422.11087	1.5
431.08679	0.5
432.10010	1.1
433.10672	1.0
434.11337	1.4
435.12460	1.0
437.10071	4.3
446.07199	0.6
447.08188	6.0
448.08377	2.0
448.12930	4.8
449.10141	18.6
450.10434	2.9
451.11627	2.1
452.12799	2.4
461.10095	1.9
462.10999	1.2
463.11115	4.6
463.15570	4.7
464.12653	3.5
465.09567	12.1
466.09726	1.6
479.11169	2.9
480.11011	2.8
495.14230	100.0
496.14554	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	495.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.9
65.06823	0.3
70.85600	0.9
114.32143	0.3
115.89204	0.3
137.79453	0.3
143.05043	0.9
167.05022	0.8
169.06592	0.5
183.04523	0.8
195.04541	0.6
196.05315	2.2
197.06049	0.6
199.03989	3.6
200.04698	1.4
211.03990	2.9
212.04781	3.1
213.05563	3.9
224.04791	5.1
225.05542	3.6
226.06355	3.5
227.03494	3.1
227.07021	0.9
239.03485	4.1
239.07077	0.5
240.04115	2.0
241.05029	11.0
242.05612	1.0
249.05507	0.5
251.03577	0.5
253.05081	2.3
254.02026	0.4
255.02992	1.4
255.06654	4.1
256.07321	0.7
270.05322	0.7
291.07211	0.4
365.11990	0.6
367.09354	0.4
375.10211	3.2
376.11041	2.6
377.07657	0.5
377.11801	1.0
379.09579	0.6
391.09613	1.2
392.10049	0.5
393.11353	1.4
394.08112	0.7
395.09109	0.4
403.09601	0.9
404.10474	0.4
409.10675	1.2
418.08435	0.6
419.09116	7.3
420.10001	3.8
421.10928	6.1
422.11438	1.1
423.08478	0.7
432.10370	0.4
433.10620	0.4
435.12643	0.7
437.10251	7.5
438.10480	0.6
447.08691	3.9
448.09256	1.9
449.10217	5.1
450.10962	1.8
451.11850	1.5
452.12640	1.9
461.10278	1.3
462.10898	1.5
463.11783	12.1
464.12936	2.9
465.09335	15.5
466.09705	2.1
467.14767	0.5
479.11310	5.0
480.11798	3.8
495.14456	100.0
496.14801	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	495.1449
Annotation	Tafricanin B
Peak:m/z	Relative Intensity
50.23842	0.4
61.98809	0.6
69.47638	2.5
74.37409	0.4
78.95891	0.4
84.46725	0.4
93.05220	0.4
95.46541	0.4
139.21025	0.4
152.99475	0.4
164.06296	0.4
187.71480	0.4
199.03964	1.0
207.85435	0.5
211.03912	0.5
225.05490	0.4
227.03503	0.4
233.15364	0.9
239.03465	3.5
240.07816	0.4
253.04916	0.4
255.06651	0.4
367.09683	1.8
369.11301	0.7
371.08829	0.4
374.09494	0.5
375.10190	2.4
376.10846	0.7
377.11618	0.8
378.08630	0.5
390.08786	0.5
391.09360	0.8
392.10406	0.6
393.11349	2.5
394.11795	0.8
395.08722	0.5
404.10342	0.5
405.11328	1.1
407.12955	0.5
408.13516	0.6
409.10672	1.4
418.08389	1.5
419.09149	7.2
420.09912	2.8
421.10782	7.3
422.11618	2.2
423.12091	1.0
425.18005	0.4
433.10739	2.0
434.11417	1.1
435.13113	2.3
436.09164	0.6
437.09991	12.2
438.10580	1.2
447.08783	5.2
448.09265	2.9
449.10117	5.3
450.10626	1.6
451.11707	1.6
452.12589	2.3
461.10226	6.6
462.10934	4.3
463.11786	5.0
464.12692	0.7
465.09674	21.8
466.10138	2.3
476.12656	0.6
477.13184	1.3
477.28088	0.5
479.11200	2.2
480.15637	1.8
495.14337	100.0
496.14688	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	495.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.4
70.34826	0.8
70.35203	1.3
72.25414	0.5
130.26756	0.5
137.02339	0.7
138.17422	0.6
143.04913	0.7
155.20731	0.6
157.96051	0.5
161.12177	0.6
183.04465	0.7
196.05223	2.5
204.62022	0.6
211.04001	3.7
211.13341	1.1
212.04753	2.9
213.05524	2.7
214.06303	0.6
223.03949	0.7
224.04765	8.3
225.05441	3.9
226.06274	2.4
227.06924	0.8
238.02599	1.1
239.03470	5.6
239.07120	0.9
240.04221	2.7
241.05040	9.0
241.08696	0.8
242.05652	1.2
249.05620	0.8
253.05035	2.3
255.02852	0.6
255.06584	4.9
257.08176	1.2
351.10336	0.7
376.11090	0.9
391.09543	1.5
392.10333	0.9
393.06808	0.7
393.11343	2.0
394.08041	0.7
395.09061	1.2
403.09311	0.6
405.06949	0.7
409.10669	1.3
419.09097	3.7
420.09909	1.9
421.10825	1.5
429.07416	0.8
431.09305	1.2
437.10117	8.9
438.10449	1.2
447.08539	3.4
448.09610	3.8
449.10257	1.5
451.11816	2.2
452.12454	1.0
461.10406	1.6
462.10791	1.4
463.11792	7.7
464.12598	0.6
465.09708	22.1
466.09973	2.6
479.11304	5.1
480.11856	4.7
495.14374	100.0
496.14810	13.5
512.86578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
61.98815	0.6
69.68175	2.9
71.01377	0.6
83.20887	0.5
98.64759	0.5
113.02448	0.8
147.04562	1.0
166.81352	0.6
175.13049	0.5
182.03690	1.0
183.04549	3.1
183.13857	1.6
189.36539	0.5
195.04515	1.1
196.05487	0.7
197.05994	1.7
198.44444	0.6
210.03130	4.2
211.04002	19.7
212.04538	1.7
216.58199	0.5
223.03969	1.2
224.04778	8.9
225.05559	7.5
226.06293	1.5
227.12878	3.3
237.01892	0.6
238.02638	1.9
239.03481	22.5
239.07140	1.2
239.85065	0.6
240.04185	5.9
240.07877	3.5
241.05045	2.2
241.08533	0.7
253.05002	1.2
254.05843	1.0
255.06560	0.6
292.86081	0.5
364.11337	0.8
365.11691	0.7
379.09558	0.7
381.11328	1.1
390.09045	1.7
391.09659	0.8
393.11279	1.5
401.08459	0.7
408.09769	0.6
409.10724	1.3
418.08829	1.1
419.09158	2.8
420.09866	1.0
421.10867	1.4
436.08844	1.1
437.10287	5.3
446.07947	0.7
447.08331	4.0
448.09387	3.4
449.10251	5.3
450.10657	1.1
451.12015	2.6
452.12515	1.4
461.10526	0.6
462.10950	1.2
463.11884	2.0
464.08856	3.7
465.09650	6.4
479.11325	17.8
480.12076	37.2
481.12146	3.2
495.14481	100.0
496.14767	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	495.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17879	0.5
69.35741	3.1
69.36164	1.7
122.30437	0.8
183.04416	0.7
185.06090	0.9
196.05272	2.9
213.05524	1.2
224.04739	8.0
225.05562	5.5
226.06367	1.4
239.07019	1.3
241.05019	2.3
253.08479	0.8
277.40228	0.6
379.10034	0.7
393.11148	0.7
403.09576	0.8
404.10272	1.0
405.11264	4.1
421.10880	1.0
422.11566	3.9
432.09860	1.3
433.10709	1.3
434.11652	1.6
435.12265	1.2
436.13129	1.0
437.13898	3.6
446.11545	1.3
447.12192	4.1
448.13062	8.1
449.13901	5.6
452.16171	0.9
461.14191	0.7
462.14691	0.7
463.15558	12.8
464.12357	1.1
465.13168	4.5
479.15024	16.7
480.15714	16.4
481.16193	1.6
495.18103	100.0
496.18475	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	495.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17733	0.4
65.72400	0.4
70.02204	0.8
70.02590	0.6
78.95895	0.9
152.99609	1.3
181.06630	0.4
183.04521	0.7
185.06125	0.7
196.05301	2.8
197.06068	1.5
211.03943	0.8
222.14069	0.6
224.04793	9.2
225.05579	11.8
226.05966	0.8
238.06290	0.8
244.63501	0.5
253.08737	0.9
270.90631	0.5
377.11694	0.6
379.09625	0.6
381.21466	0.4
381.37717	0.4
387.10641	0.5
393.11163	0.8
403.09866	1.1
404.10434	1.0
404.85245	0.5
405.11304	6.9
406.11978	1.2
421.10901	2.5
422.11557	5.1
423.11942	1.3
429.11383	0.9
430.11990	0.7
431.12878	0.7
432.10153	1.9
433.10449	2.0
434.11526	0.5
436.13141	0.8
437.13922	8.1
438.14398	1.0
446.11618	1.6
447.12296	4.1
448.13110	9.7
449.13370	1.6
450.11032	3.0
461.13904	2.2
462.14575	0.9
463.15573	14.6
464.12659	1.6
465.13422	11.8
466.13779	1.4
479.15036	14.3
480.15759	24.1
481.16013	2.6
495.18134	100.0
496.18466	13.0
519.57068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00095	0.3
58.70826	0.3
61.98849	0.7
70.65834	1.0
71.27815	0.4
78.90293	0.4
78.95913	2.3
94.97193	0.4
96.96994	0.4
103.48356	0.4
108.11748	0.4
115.92074	1.4
126.55868	0.4
128.28734	0.4
143.23679	0.4
152.99602	5.7
167.04996	1.8
169.06592	6.3
171.04495	2.0
183.04483	0.6
185.06088	3.5
195.04468	1.6
197.06013	0.5
197.33594	0.4
199.04028	0.4
209.06053	1.1
211.03996	3.1
213.05568	29.8
214.05920	1.8
223.04034	3.6
223.06038	0.6
224.04666	0.7
225.05582	1.2
226.06349	9.4
227.06947	0.9
239.03497	9.1
240.04175	2.8
240.07973	1.2
241.05057	43.5
241.08562	4.1
242.05356	2.4
256.07434	5.0
267.23361	0.5
271.09821	2.4
350.71597	0.4
421.15140	0.4
433.23459	1.7
437.13934	2.4
438.14148	0.5
449.13943	1.3
450.10730	0.9
464.12790	2.0
465.13425	10.1
466.13757	0.7
479.14963	8.5
480.15781	32.9
481.16077	3.6
495.18127	100.0
496.18478	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	495.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29639	0.5
66.29372	0.4
75.57089	0.4
76.19145	0.4
80.26679	0.4
85.08896	0.5
89.49409	0.4
148.05002	0.5
152.99547	0.9
165.01338	0.5
183.08092	2.9
185.06079	1.1
195.04454	1.7
196.05293	4.1
197.06088	1.3
223.03996	1.4
224.04735	10.4
225.05524	8.1
226.06340	10.3
227.07115	13.9
228.07471	0.7
238.06189	0.7
269.06506	0.5
306.83377	0.5
338.65393	0.5
373.61700	0.5
393.22415	0.5
394.12158	1.0
405.11230	2.0
406.11816	0.9
420.13882	0.7
421.10669	1.8
422.11728	1.5
432.10153	0.6
437.13840	5.9
438.14560	0.9
447.12308	1.4
448.12860	2.8
449.13803	1.1
450.10751	0.7
463.15891	3.9
464.12625	2.2
465.13376	5.2
466.13623	1.0
479.14975	24.5
480.08780	1.0
480.15704	25.5
481.16367	2.5
495.18134	100.0
496.18436	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	495.181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55633	1.3
69.56049	2.2
74.26918	0.5
75.91148	0.6
84.45833	0.6
98.19855	0.5
103.41158	0.6
195.04460	0.8
196.05286	0.8
197.06030	1.1
210.06830	1.5
223.04056	1.4
224.04730	3.2
225.05592	9.5
226.06123	0.7
238.06335	0.8
240.07901	0.7
253.08771	0.8
270.22464	0.6
377.11832	0.7
384.47897	0.7
393.11255	0.7
403.09619	1.4
404.10516	1.3
405.11389	4.5
406.11942	0.8
421.10681	3.9
422.11301	2.9
432.09943	1.6
433.10800	1.5
436.13132	0.7
437.13870	11.3
438.14395	1.0
446.11630	2.1
447.12375	2.1
448.13239	6.4
449.09637	0.9
450.10886	2.6
461.14124	2.7
462.14529	0.7
463.15912	4.4
464.12296	3.0
465.13281	11.6
466.13400	1.8
479.14978	8.8
480.15762	22.4
481.16248	2.9
495.18103	100.0
496.18512	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	495.181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.7
65.64934	0.5
71.42520	1.2
75.93286	0.5
83.85817	0.5
110.14893	0.6
169.06602	0.9
170.67278	0.6
171.04581	0.6
183.04579	0.7
199.04053	1.7
209.11818	0.6
210.06841	3.3
211.04109	1.1
213.05589	2.9
224.04768	6.1
225.05478	3.9
225.09161	1.0
226.06194	1.0
227.03511	1.7
237.05638	1.4
239.03717	0.7
239.07132	2.3
240.04309	1.1
241.05034	8.7
241.08710	1.0
242.05605	0.7
250.63918	0.7
253.05185	1.1
255.03061	2.5
255.06721	2.4
256.07373	2.2
270.05408	1.6
271.09903	1.6
377.11969	1.0
378.12408	1.2
394.12021	0.8
403.09863	1.1
404.10443	2.8
405.11273	6.3
406.12061	2.1
419.13257	1.3
421.10449	1.2
422.11401	5.4
432.10199	1.7
433.10919	2.2
434.11465	4.9
437.13919	11.7
438.14658	1.1
446.11908	2.4
447.12216	5.6
448.13058	9.6
449.14032	9.0
450.10571	3.3
461.13919	4.4
462.14752	2.3
463.15649	8.5
464.13144	0.7
465.13361	16.5
466.13828	1.8
479.15125	2.6
480.15771	23.7
481.16467	2.8
484.22238	0.6
495.18369	100.0
496.18582	13.0
524.60254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98818	1.1
71.01372	0.8
71.50069	0.6
80.05057	2.2
88.18405	0.3
89.02449	0.5
92.05053	4.6
94.06619	15.3
96.04568	0.4
100.57742	0.3
101.02402	0.4
101.63593	0.3
103.32291	0.4
107.03772	2.2
108.04555	1.1
110.06117	0.9
115.00391	0.5
120.04539	1.5
122.06114	85.4
123.04524	0.5
123.06442	1.7
124.04049	2.4
136.88647	0.4
138.05582	0.8
140.07129	0.6
166.05081	78.4
167.05453	2.9
184.06134	100.0
185.04958	0.5
185.06488	3.7
197.87967	0.4
210.03946	0.8
215.30769	0.4
228.05098	6.2
243.71585	0.4
496.14572	53.2
497.14862	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	496.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88508	0.4
59.01381	5.5
61.98829	100.0
69.53828	2.4
71.01370	0.8
75.35528	0.4
78.13307	0.4
87.35494	0.4
89.02453	0.5
101.02472	0.7
103.04025	0.8
115.00444	0.5
119.05097	0.4
127.07665	2.9
145.03015	0.6
171.06625	3.1
231.08617	0.4
240.07573	0.5
274.47769	0.4
298.40747	0.4
356.53058	0.4
496.16977	0.8
497.10513	0.5
497.16913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65763	1.5
58.00114	1.6
61.98818	3.7
70.10586	6.3
71.66838	1.6
78.95903	47.8
96.96954	6.2
98.20574	1.9
150.97920	1.6
152.99594	100.0
165.58127	1.6
171.00607	4.1
218.49786	1.7
279.23340	2.0
364.95151	2.0
433.23563	28.1
434.24414	2.2
516.83380	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	496.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44164	0.9
50.48110	1.0
51.80839	1.0
52.03855	1.0
53.09978	0.9
53.74277	0.9
59.01369	3.9
61.98824	100.0
65.58441	0.8
70.47968	0.9
71.01380	2.4
71.51152	1.1
73.02943	1.1
85.15174	0.9
96.95974	1.1
113.02372	1.0
127.04043	1.3
211.04007	2.0
212.04492	1.8
224.04697	1.2
225.05406	3.3
226.06152	3.3
228.03900	1.1
239.03604	2.1
239.07095	1.5
240.04222	2.0
241.05035	1.7
241.08601	1.2
253.05292	1.2
255.06612	2.7
275.20154	1.3
279.06680	1.0
280.78943	1.0
287.53607	1.1
420.09830	1.3
427.89572	1.1
437.25565	1.3
438.10486	1.8
449.09799	1.8
451.12054	5.0
455.26422	1.9
464.12061	2.2
465.13248	2.7
466.09814	1.8
479.15079	2.0
480.11603	1.6
481.12680	7.6
482.13464	4.0
496.14661	19.2
497.16046	25.1
497.27594	4.0
523.83258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1602
Annotation	Artonol D
Peak:m/z	Relative Intensity
52.39233	0.7
59.01377	4.2
61.98812	0.8
70.64671	0.8
70.65006	1.4
71.01378	1.7
71.26311	0.7
74.82090	0.7
93.03463	5.2
98.95369	0.8
101.02489	0.9
113.02446	1.0
121.02940	1.1
123.04520	0.9
127.07641	2.5
139.24611	0.8
143.05063	0.8
159.04547	1.5
167.05074	0.9
171.04422	1.6
171.06671	2.5
183.04562	1.3
195.04504	2.2
196.05251	2.1
197.06033	2.9
198.06972	0.8
202.43301	0.7
205.75945	0.9
211.03986	2.1
213.05551	2.4
223.03926	1.9
224.04730	4.3
225.05530	8.2
226.06302	5.0
227.03452	1.4
237.05609	0.8
239.03548	1.6
239.07095	1.6
240.04211	2.4
241.05028	7.7
241.08652	3.5
242.05612	1.0
249.05333	0.8
253.05052	1.0
267.06799	0.9
269.04498	1.2
279.03146	0.8
281.04498	1.1
330.05408	1.2
333.07599	1.8
343.05844	1.1
344.06772	1.1
345.07550	1.3
351.10077	1.0
359.09113	1.7
360.10056	1.0
361.07022	3.0
375.08475	1.4
377.11230	0.9
379.09695	1.4
397.10602	1.8
403.08191	1.6
421.10464	1.8
422.11624	1.2
423.12399	1.5
432.09634	0.9
433.10730	0.9
437.25076	1.3
443.01608	0.8
448.09195	1.2
449.10178	3.0
450.10907	1.6
451.11771	1.7
463.11731	1.5
464.12756	1.4
465.13400	4.1
466.10013	1.4
467.11322	2.8
479.14911	1.7
481.12869	7.9
482.13712	9.6
483.13892	1.0
497.16653	100.0
498.16843	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	497.1601
Annotation	Artonol D
Peak:m/z	Relative Intensity
52.57030	0.4
54.60717	0.3
55.95393	0.4
59.01389	0.4
61.98829	0.9
69.30357	0.4
71.50391	0.6
109.97604	0.4
155.04930	0.6
159.04506	3.9
161.06056	0.5
163.04024	1.1
167.05122	0.7
169.06598	0.7
170.03740	1.4
171.04453	0.5
173.06131	0.4
183.04536	3.5
184.05278	1.8
185.06087	5.6
187.04050	1.7
195.04532	0.5
196.05237	0.6
197.06053	1.5
199.04005	0.8
201.05583	1.7
210.06709	0.5
211.03986	4.9
211.13399	0.7
212.04730	1.4
213.02034	0.4
213.05545	2.8
214.02734	0.7
215.03439	0.4
224.04790	0.6
225.05545	1.2
225.09244	0.6
226.06345	3.3
227.03484	5.0
227.06860	0.4
228.04195	2.3
229.05029	18.1
230.05505	0.9
239.03494	9.3
240.04205	2.2
241.05069	6.2
241.08739	1.6
242.02211	1.0
242.05885	0.7
255.02953	7.5
256.03748	8.5
257.04541	69.1
258.04916	3.9
312.79935	0.5
421.10709	0.6
421.93991	0.4
433.10364	0.4
439.11676	1.8
449.10324	0.9
450.10638	0.7
463.12076	0.7
464.12762	0.8
465.13373	2.4
467.11096	2.4
479.14874	1.4
481.12869	13.0
482.13681	54.3
483.13983	6.4
497.16025	100.0
498.16370	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	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
61.50916	0.4
61.98811	0.5
70.85641	1.1
71.01386	1.8
73.02950	0.6
78.95895	1.2
89.02454	1.0
90.39090	0.5
93.03447	0.5
95.01405	0.4
98.20606	0.5
101.02435	1.7
113.02433	0.8
117.03460	3.1
119.03590	0.7
119.05019	14.4
120.05331	0.7
121.02912	0.7
127.07648	97.7
128.07985	3.4
132.05775	0.7
133.06615	3.5
145.02945	18.4
145.08693	1.0
146.03293	0.9
152.99582	1.8
161.04800	0.9
161.06078	9.5
163.04008	15.3
171.06621	100.0
172.07001	3.4
177.05597	2.5
186.34236	0.4
187.03989	1.5
205.05051	11.3
206.05408	0.8
225.21094	0.5
235.06093	5.8
265.07153	12.5
266.07498	1.0
307.08203	0.7
307.13928	1.7
325.09155	2.4
327.18179	0.4
351.12891	3.9
360.73581	0.4
453.17563	1.7
497.16605	39.9
497.28021	1.2
498.17026	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	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24044	0.6
59.01384	4.6
60.40563	0.5
65.32317	0.5
69.35765	1.3
69.36177	2.8
71.01380	2.2
73.02946	0.6
78.95906	1.5
83.01374	0.8
84.23438	0.5
85.02931	0.7
89.02458	1.2
94.45436	0.6
99.08179	0.7
101.02431	1.1
104.95473	0.6
109.24355	0.6
113.02453	0.8
117.03456	3.1
119.05028	15.1
121.02929	0.8
122.45107	0.6
123.04536	0.6
127.07654	99.9
128.07990	2.9
133.06602	4.0
145.02951	17.8
145.08722	1.5
146.03416	0.5
152.99565	2.5
161.06081	10.1
163.04008	14.0
164.04344	0.7
171.06627	100.0
172.06984	4.0
174.68622	0.6
177.05597	2.9
187.04112	0.7
205.05038	10.8
235.06111	4.9
265.07159	14.0
266.07431	1.2
307.08231	0.7
307.13950	1.8
325.09372	1.6
334.29993	0.5
351.12888	3.4
406.73636	0.6
453.17529	1.0
497.16666	36.9
498.16946	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80953	0.4
59.01373	2.8
60.50607	0.4
60.74006	0.4
61.98830	2.0
63.92616	0.4
67.52248	0.5
70.79050	1.2
71.01379	1.7
73.98169	0.5
85.03006	0.6
89.02448	0.7
93.03473	0.6
99.08175	0.9
101.02463	0.6
113.02435	0.7
117.03493	2.4
119.05029	13.7
120.05381	0.5
121.02977	0.8
127.07653	100.0
128.07993	2.8
132.05823	1.4
133.06621	5.1
145.02956	14.8
145.08720	0.7
161.06087	10.0
163.04008	14.0
171.06627	94.9
172.06984	3.5
177.05542	3.4
187.04039	0.9
205.05069	9.7
235.06120	5.0
240.02339	0.6
265.07190	10.2
305.67429	0.5
307.14017	2.1
325.09207	2.8
336.22000	0.4
351.12790	3.9
453.17535	1.2
497.16681	35.1
498.17297	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
59.81044	0.5
61.98832	13.4
71.01366	3.2
71.46357	0.6
71.46706	1.0
73.02952	1.1
85.02970	1.1
89.02456	1.7
93.03489	1.1
95.01326	0.7
95.75733	0.5
99.08188	1.0
101.02442	1.0
113.02425	3.3
113.06076	1.0
117.03455	6.0
119.05021	16.0
120.05396	0.6
123.04567	0.8
127.07653	96.6
128.07965	2.5
129.02861	0.6
130.08676	0.8
131.05002	0.7
132.05795	0.6
133.06593	1.6
141.91745	0.6
143.07127	1.2
145.02951	30.6
145.08669	1.2
146.03317	1.4
147.04503	1.0
158.03714	0.7
159.04526	2.6
161.04720	1.0
161.06082	4.6
163.04010	12.6
163.89056	0.6
164.04404	0.7
165.05598	0.9
171.06627	100.0
172.06982	2.8
173.06061	0.7
177.05576	1.5
187.03998	11.7
187.06068	2.5
188.04256	0.6
193.05029	0.7
205.05000	3.2
217.05209	0.9
224.34557	0.7
235.06163	1.1
265.07242	1.1
267.78769	0.6
289.12863	0.7
307.08325	0.9
307.14151	0.7
308.68216	0.5
325.09268	4.5
383.10779	0.5
453.17221	0.7
497.16611	27.8
498.16980	2.8
498.29156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.9
61.98829	49.3
65.42161	1.2
69.41177	9.8
70.32535	1.2
71.01379	5.0
72.99302	3.6
84.02436	1.3
85.02952	3.4
89.02452	3.5
95.01364	2.6
99.08162	2.8
101.02433	2.5
108.14034	1.2
113.02424	5.6
116.92812	1.7
117.03472	5.6
119.05016	13.7
121.02924	1.1
127.07647	99.8
128.07985	3.3
133.01437	1.3
133.06616	3.8
145.02942	28.9
145.08684	1.4
153.05623	1.3
158.16795	1.3
159.04482	4.3
161.06120	3.2
163.04008	11.8
171.06622	100.0
172.06938	3.5
177.05539	1.6
187.03983	11.8
198.76378	1.2
205.05011	2.6
215.07059	1.3
277.37701	1.2
307.08179	5.0
307.13846	1.5
325.09125	6.6
496.56534	1.2
497.16565	27.0
497.27411	1.7
498.17154	2.6
521.32837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	1.2
61.98819	2.4
71.50671	0.9
96.95989	1.0
171.98354	1.4
186.17683	0.9
186.19325	1.0
211.03883	1.1
211.13271	1.0
219.34367	0.7
225.05713	1.3
226.06303	1.1
253.08904	0.9
284.28394	0.8
301.08569	1.1
315.06512	0.8
317.08096	1.6
318.09006	1.1
329.08057	1.9
333.11188	1.4
342.09027	1.2
343.09433	0.9
344.10413	1.1
346.08411	2.5
350.10663	0.8
354.59619	0.9
357.11273	2.8
407.12997	1.0
421.14102	3.0
439.15628	5.2
448.12872	1.6
449.13870	2.3
450.14880	7.3
451.15140	2.7
451.82263	0.9
463.15729	5.6
464.16302	7.7
465.17477	9.4
466.17047	0.8
467.14670	2.9
479.18927	2.2
481.16568	1.4
482.17554	31.0
483.17554	2.5
497.20010	100.0
498.20590	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	497.1968
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
59.01382	1.0
59.07946	0.5
61.98828	1.1
63.34627	0.5
67.05774	0.5
74.44734	0.6
96.82527	0.5
98.19939	1.1
104.70547	0.6
197.06157	1.0
211.04109	0.5
211.13426	1.1
213.05666	1.6
223.04027	0.5
224.04913	1.5
225.05595	2.1
226.06418	2.3
227.07114	0.7
229.05026	0.6
238.06490	0.7
239.03369	0.5
239.07167	1.2
240.04156	0.6
241.05125	1.8
241.08769	1.5
242.05873	3.5
255.06787	0.7
255.10469	0.5
257.04657	1.5
257.08206	0.9
265.08789	1.0
285.08923	0.5
287.07288	0.6
288.07910	0.7
300.07858	0.7
301.08597	3.3
313.08722	0.8
314.05942	1.4
315.06754	2.2
315.10165	0.8
316.07391	0.5
317.08066	0.9
327.06750	1.5
328.07361	13.6
329.08118	16.3
329.11865	1.0
330.08810	4.6
331.06213	1.7
331.09738	0.8
332.06866	3.8
333.07547	1.1
342.09143	0.6
343.09647	3.8
344.10666	1.4
345.07532	0.8
345.11368	1.0
346.08536	0.6
347.09470	1.5
357.11578	1.1
361.11157	0.9
376.09827	1.0
407.12772	1.0
415.09943	0.7
421.14554	0.6
433.10843	1.0
434.11801	0.6
435.12161	3.4
436.13013	1.2
438.14847	0.6
448.13318	0.7
449.13910	10.4
450.14719	30.3
451.15448	15.0
452.16217	1.1
463.15860	2.1
465.17181	32.2
466.17258	3.2
467.15152	2.8
481.16602	1.5
482.17993	5.8
497.19983	100.0
498.20337	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	497.2753
Annotation	Simplexin I
Peak:m/z	Relative Intensity
53.76033	0.7
57.03433	1.7
58.00602	1.6
59.01378	79.4
61.98818	3.0
65.47360	0.8
69.03456	1.2
71.01379	43.0
71.50552	1.1
72.01745	0.8
72.77132	0.8
72.99309	2.1
73.02943	44.4
73.57567	0.8
75.00890	1.0
77.40286	0.8
81.03464	0.8
83.01384	14.2
85.02949	7.9
87.00874	2.4
89.02441	10.7
94.23116	0.8
95.01366	1.8
97.02962	0.9
99.00864	1.5
101.02437	34.3
102.02758	1.0
107.06785	0.8
111.00811	0.8
113.02442	11.8
119.03513	2.1
119.04987	2.0
120.45061	0.8
125.02398	0.9
127.07648	1.4
131.03481	1.2
133.06720	0.9
143.03476	2.1
149.04535	2.0
161.04547	5.0
163.03978	2.3
165.12753	0.8
183.13925	1.2
221.66579	0.8
223.17056	0.9
224.04738	1.4
275.20142	21.5
276.20505	2.2
277.21671	1.9
293.21237	19.1
343.46542	1.0
421.10608	1.1
437.25473	11.2
438.25867	1.6
453.16257	0.9
455.26462	26.7
456.26715	2.7
482.13220	1.2
497.16864	10.6
497.27518	100.0
498.16318	1.9
498.28024	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	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
50.25358	0.5
55.01868	0.9
55.19321	0.5
57.03436	1.2
58.00589	1.1
59.01379	61.4
61.08447	0.5
61.98838	0.8
69.03442	1.1
71.01379	35.0
72.99305	2.2
73.02943	40.6
81.03413	0.8
83.01387	10.9
85.02946	5.6
85.60902	0.5
87.00873	2.7
89.02436	7.4
95.01392	1.5
97.02948	0.8
99.00877	1.0
101.02442	29.2
102.02816	0.7
113.02441	10.3
119.03465	3.1
125.02438	1.0
127.04080	0.6
131.03516	2.3
137.02435	1.0
143.03470	1.3
149.04573	0.9
154.36000	0.5
155.03505	1.2
161.04549	3.4
165.12772	0.8
183.13869	1.5
211.03958	1.2
213.05582	1.0
225.05559	0.8
231.21170	0.7
241.05000	2.1
242.05923	0.7
257.04465	0.7
265.05112	0.6
269.23221	0.5
275.20163	16.9
276.20395	0.9
277.21713	1.6
293.21194	26.9
294.21521	1.8
314.05463	0.7
377.55756	0.5
397.98373	0.6
421.11166	0.6
437.25348	11.3
438.25879	1.2
450.11115	0.7
451.12000	1.0
455.26505	23.7
456.26810	2.0
465.13351	1.7
481.12915	1.2
482.13760	3.8
497.16705	12.0
497.27533	100.0
498.16132	1.9
498.27853	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	497.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29729	0.4
66.39407	0.3
74.96713	0.3
78.95899	6.6
83.41058	0.3
96.96922	0.4
98.20753	0.6
152.99573	12.9
171.00647	1.2
227.03210	3.3
245.04381	1.6
269.24820	100.0
270.25186	7.3
497.28802	25.7
498.29059	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
59.01385	2.4
61.98829	100.0
69.16487	4.5
69.16904	1.0
73.14626	0.5
82.02440	0.6
93.30880	0.6
95.05055	0.8
99.08159	15.0
101.02470	0.5
123.04524	21.7
127.07647	19.8
127.08546	1.3
128.08038	0.6
129.05573	16.8
134.03716	0.5
153.05565	11.9
171.06622	5.8
176.36644	0.6
193.05063	2.1
327.10971	1.1
498.17038	0.8
499.18445	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	498.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38770	0.9
68.95275	0.9
71.51239	1.2
72.00900	1.5
73.04067	19.9
74.02469	43.9
76.68430	0.9
78.95900	3.1
82.06616	1.4
84.00881	1.1
87.05627	3.1
101.85096	0.9
112.02794	3.4
118.05094	4.9
126.09254	3.7
130.08743	3.0
139.08702	1.2
141.10324	4.0
143.11885	22.6
152.07198	7.2
152.99588	3.0
153.10391	2.3
165.10420	1.1
169.09776	7.7
169.13441	5.0
187.10870	7.1
200.14018	46.0
201.14478	1.3
226.15565	2.3
226.21741	38.6
227.22069	2.9
266.21228	2.1
270.20758	3.7
283.23874	18.0
283.26816	1.5
284.24246	1.3
397.30698	5.0
410.33807	2.1
436.35638	1.9
454.32819	100.0
455.33115	11.8
498.35486	41.2
499.35901	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	499.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.6
59.01378	9.6
61.98822	1.1
71.01392	1.0
71.50542	0.8
73.02942	0.6
75.17543	0.5
83.01389	0.9
83.05033	0.7
87.84977	0.4
89.02431	0.6
93.03461	0.8
95.05029	3.1
99.08158	63.9
100.08503	1.7
101.02424	0.9
105.03495	1.1
107.84486	0.5
109.06618	1.3
113.02460	0.7
121.02956	0.7
123.04527	100.0
124.04852	2.3
127.07652	72.4
128.07996	2.4
129.05580	25.4
138.03250	1.4
149.02457	1.1
152.99603	0.6
153.05576	48.9
154.05940	1.5
171.06627	15.6
172.06960	0.6
187.52625	0.5
189.07700	1.3
191.63307	0.6
206.30801	0.6
276.27652	0.5
296.99478	0.5
327.10822	4.9
333.07889	0.6
348.10159	0.5
499.17862	7.3
499.29269	1.1
500.18307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.0
59.01374	3.7
61.98833	1.6
71.01372	1.7
71.50455	0.2
73.02959	0.4
77.03943	0.5
81.34504	0.3
83.01363	0.4
83.05025	0.7
85.02956	0.5
89.02440	0.6
93.03479	0.4
95.05016	2.4
99.08150	62.5
100.08511	1.3
101.02435	0.9
105.03444	1.1
109.06598	1.2
113.02470	0.6
115.00373	0.5
116.86191	0.3
119.03569	0.4
121.02984	0.4
123.04516	100.0
124.04829	2.7
127.07642	70.4
128.07959	2.2
129.05573	21.0
130.05917	0.5
133.01500	0.4
133.82150	0.3
138.03192	1.2
143.07097	0.3
149.01012	0.3
149.02325	0.6
153.05562	50.3
154.05891	2.0
164.62585	0.3
171.06610	15.4
172.06909	0.5
175.02536	0.4
182.59622	0.2
189.07677	0.9
240.59312	0.3
327.10770	4.7
355.32532	0.3
386.72458	0.3
499.18066	2.3
499.24130	0.3
517.38342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Rolapitant
Peak:m/z	Relative Intensity
57.03435	3.6
57.97563	5.2
59.01376	19.1
61.98827	10.7
68.99561	2.3
71.01369	5.8
73.02932	6.4
83.01378	5.2
85.02930	2.7
89.02434	1.6
98.20773	2.1
99.08144	15.1
101.02420	5.3
112.98568	2.1
113.02436	3.8
119.04987	1.1
123.04513	23.7
127.07645	100.0
128.07968	3.1
129.05574	11.3
135.08163	2.2
153.05569	10.3
155.94011	1.1
165.05580	5.9
171.06607	81.3
172.06979	4.8
183.48912	1.2
187.11284	1.5
189.07623	2.0
499.18161	34.5
499.32825	1.9
500.18192	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
58.71225	1.0
59.01376	22.8
61.98830	11.0
62.47592	0.9
71.01383	9.4
72.99301	1.2
73.02943	5.0
83.01382	5.4
85.02956	2.6
88.01691	1.0
89.02454	3.8
95.04934	0.9
98.19907	2.8
99.08143	15.8
101.02419	5.6
105.15762	1.0
107.89249	1.0
113.02448	5.2
118.97062	1.1
119.03469	1.6
119.04975	1.9
123.04525	23.1
125.02493	1.1
127.07645	100.0
128.07982	2.7
129.05562	9.5
131.96672	1.1
132.01971	1.0
135.08141	1.2
145.08618	1.4
153.05557	14.9
153.35046	1.0
161.04503	2.0
161.06000	1.1
161.13393	1.1
163.04089	2.4
165.05528	6.7
171.06615	86.2
172.06992	3.0
175.25829	1.0
187.11382	1.3
205.12334	1.3
260.84494	1.0
275.23770	1.0
343.09332	1.0
354.53857	1.0
465.82391	1.1
499.18192	29.6
499.30078	1.2
500.18640	3.2
523.04675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.6
57.97563	5.2
59.01376	19.1
61.98827	10.7
68.99561	2.3
71.01369	5.8
73.02932	6.4
83.01378	5.2
85.02930	2.7
89.02434	1.6
98.20773	2.1
99.08144	15.1
101.02420	5.3
112.98568	2.1
113.02436	3.8
119.04987	1.1
123.04513	23.7
127.07645	100.0
128.07968	3.1
129.05574	11.3
135.08163	2.2
153.05569	10.3
155.94011	1.1
165.05580	5.9
171.06607	81.3
172.06979	4.8
183.48912	1.2
187.11284	1.5
189.07623	2.0
499.18161	34.5
499.32825	1.9
500.18192	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15886	0.6
57.03447	11.9
59.01381	12.6
61.98818	2.5
64.47013	0.5
71.01373	2.0
71.50851	1.0
83.05025	1.0
85.02974	0.6
95.05039	2.1
99.08160	67.7
100.08485	1.4
101.02425	1.1
105.03453	1.0
109.06574	1.3
111.00883	1.6
111.28574	0.6
113.02458	0.8
121.02924	0.6
123.04527	100.0
124.04892	2.8
127.07657	76.6
128.07997	2.2
129.05585	29.7
138.03217	1.7
146.69760	0.5
149.02469	1.2
150.88850	0.6
152.99648	0.6
153.05576	50.9
154.05928	1.9
171.06622	18.8
189.07719	1.4
245.70627	0.7
258.54498	0.6
289.05374	0.7
327.10818	4.4
363.12518	1.3
408.10162	0.8
461.01038	0.6
499.17896	8.3
499.29022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
59.01377	5.5
61.98827	1.8
64.68136	0.3
65.92918	0.2
67.01887	3.2
69.15927	1.5
69.16361	1.0
71.01389	2.2
72.99295	0.4
73.02938	0.8
82.01205	0.2
83.01390	1.0
85.02950	1.4
87.00881	6.7
89.02426	0.9
95.01374	0.4
99.08167	2.8
101.02443	1.7
111.00880	100.0
112.01206	1.8
113.02448	1.1
117.56470	0.2
119.03493	0.4
123.04529	3.7
125.02415	0.2
127.07651	9.4
128.07973	0.4
129.02045	0.3
129.05566	2.9
148.38991	0.3
153.05560	1.7
154.99864	0.6
159.11810	0.3
171.06625	5.7
171.66658	0.3
173.00896	8.0
174.01227	0.4
286.74539	0.2
325.20105	0.4
499.17120	1.8
499.23218	0.4
499.28732	1.5
500.29507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21384	0.4
59.01377	1.2
61.98809	0.5
78.95900	3.6
91.47872	0.4
94.05721	0.4
95.36599	0.5
98.20763	0.8
112.44163	0.4
113.02463	0.9
123.13614	0.4
138.13770	0.4
146.89798	0.4
152.99548	3.3
167.41946	0.4
171.00662	0.9
211.13315	0.6
221.06688	0.5
223.20711	2.7
225.22217	41.5
226.22614	2.2
227.03218	0.8
237.72980	0.5
253.21823	0.8
271.22763	100.0
272.23032	6.5
277.21878	0.9
291.23172	0.4
364.14795	0.5
499.19708	0.4
499.26819	5.2
499.34341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54361	0.6
57.03449	5.4
59.01379	2.9
61.98851	1.0
65.01304	0.6
71.01378	0.8
71.05024	4.1
71.50629	0.9
73.02957	0.7
78.95912	10.1
80.02695	0.8
83.05050	1.1
84.02186	2.9
87.39439	0.7
96.96986	1.1
101.02439	0.9
122.03727	0.7
123.08113	0.7
125.09759	3.1
152.99594	11.2
161.84741	0.6
168.20525	0.7
171.00659	3.1
187.09727	1.6
192.30077	0.7
197.19092	1.9
211.56274	0.6
223.20590	0.9
225.22235	28.6
226.06142	0.9
226.22551	1.9
235.20677	7.2
236.20958	0.7
245.04301	8.9
253.09338	2.2
253.21706	13.2
254.21999	0.9
263.20175	14.6
269.21100	4.2
271.22781	100.0
272.23163	7.4
297.20651	0.8
327.30469	0.6
329.23453	1.0
349.14136	0.8
499.26636	29.9
499.32925	5.0
500.26895	3.5
500.33182	0.8
528.16968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56504	0.1
54.94289	0.1
55.01860	0.4
55.51775	0.1
57.03439	0.3
57.89442	0.1
58.00594	0.2
59.01373	6.3
69.23495	0.1
70.18887	0.4
70.19302	0.3
71.01378	4.8
72.99314	0.3
73.02938	1.2
78.95906	0.2
83.01376	0.4
83.05014	0.2
84.02151	0.2
85.02946	1.2
87.00887	0.7
87.92236	0.2
89.02436	3.5
95.01379	0.5
97.02928	0.2
99.00861	0.3
99.09847	0.1
99.15666	0.1
101.02437	4.6
101.66788	0.1
103.03992	0.1
113.02437	2.1
116.62077	0.1
119.03468	0.9
125.02485	0.2
127.07653	0.3
133.05054	0.4
137.36488	0.1
143.03468	0.5
147.72028	0.1
152.99565	0.3
157.05049	0.2
161.04558	1.5
174.53795	0.2
179.05612	0.5
191.18056	0.2
219.21129	0.3
225.22191	0.6
235.08223	1.0
235.20663	0.3
245.19043	0.4
253.09253	15.3
253.21741	0.4
254.09547	0.6
261.18570	0.5
263.20120	100.0
264.20453	7.0
264.23343	0.3
269.21182	0.2
271.22772	2.7
499.26611	0.9
506.99115	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
65.52094	1.0
69.31974	8.3
71.01378	4.4
85.02982	1.8
101.02446	3.3
113.02455	4.5
119.03488	2.0
131.84361	1.3
161.04570	1.7
271.22852	2.1
277.21716	78.1
278.22031	6.6
291.23459	1.7
319.22650	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2908
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01873	1.6
58.00568	1.2
59.01378	46.5
69.03427	1.2
70.00787	6.5
71.01382	21.3
72.99287	2.1
73.02940	16.2
83.01381	6.5
85.02921	6.1
86.56619	1.2
87.00864	3.7
89.02454	5.8
98.20526	1.9
99.00851	2.3
101.02444	14.6
113.02433	7.7
119.03486	1.8
123.04506	1.5
125.09750	1.3
135.57813	1.1
189.07700	2.0
192.38907	1.2
223.16940	2.1
277.21713	11.9
295.22711	9.3
327.12418	2.3
439.26950	11.2
457.27982	25.4
458.28271	2.0
499.17062	4.5
499.29041	100.0
500.29358	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	499.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97009	1.2
55.13552	1.2
59.01378	100.0
60.01682	1.2
69.18968	5.1
69.19401	6.2
72.15929	1.1
78.95856	1.4
86.36890	1.3
87.06264	1.4
91.04028	1.2
94.94811	1.4
110.65462	1.2
152.99602	3.4
185.10646	1.1
223.20749	1.5
225.22229	6.9
271.20023	1.5
271.22772	16.7
272.23047	1.9
277.21564	2.5
365.27045	10.9
496.60007	1.3
499.26700	2.7
499.33664	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	500.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98053	1.1
59.01380	16.1
59.96519	0.9
61.98828	70.8
71.01380	9.3
71.50774	1.9
75.56407	1.1
83.05005	1.0
85.02940	2.6
85.92145	0.9
87.00851	1.5
89.02443	10.3
101.02429	5.2
111.00895	2.1
113.02435	3.5
119.03491	4.5
119.37189	1.2
127.07664	1.3
130.08716	3.4
134.03737	1.2
149.05956	1.0
156.44463	1.1
159.04495	1.9
161.04475	1.3
172.05267	6.4
179.05525	2.1
183.04544	2.2
187.07635	72.6
188.08012	5.2
189.05394	1.3
199.04001	3.7
200.04774	4.5
201.05505	2.0
202.06328	3.7
204.04253	1.2
213.09161	7.5
215.07088	9.9
227.03412	6.8
228.04118	5.6
229.08575	2.9
231.06587	4.7
231.10240	11.0
236.29507	1.1
257.08173	100.0
258.08447	6.3
273.07703	3.2
275.09274	14.8
333.10123	1.3
354.98526	1.2
393.11963	5.8
403.65765	1.3
437.14508	9.7
500.25055	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	500.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.3
59.01370	2.1
71.01382	1.6
71.24095	1.1
82.02989	3.2
84.04551	2.3
85.02969	1.1
86.06116	23.7
87.00847	0.7
89.02475	0.8
96.04561	0.8
97.02989	0.7
101.02470	0.8
112.04053	43.4
113.04370	0.8
114.05613	9.3
115.04055	1.1
126.01992	7.6
158.04591	100.0
159.02995	8.1
159.04910	2.2
159.07771	0.8
161.04556	0.7
174.30774	0.8
176.33391	0.8
195.16708	0.7
251.27354	0.8
311.00934	0.8
468.16336	0.8
478.77155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77822	0.4
58.06198	0.4
58.47447	0.4
59.01373	7.3
61.98826	100.0
69.60545	1.5
69.60960	0.9
71.01376	2.2
85.02956	1.1
89.02450	0.9
94.13348	0.4
101.02441	1.0
106.13973	0.4
111.00883	1.0
113.02425	1.0
119.03542	0.5
119.76497	0.4
127.07681	0.5
140.63432	0.4
146.03737	0.8
153.05582	0.4
159.04491	0.9
165.96600	0.4
173.00793	0.5
187.04016	1.2
188.04820	1.5
211.86346	0.5
269.11874	1.0
285.15125	0.6
287.13226	1.0
295.13467	1.1
313.14420	7.5
314.14731	0.6
331.15503	3.0
341.19745	0.5
348.48407	0.4
405.19147	5.9
406.19617	0.6
437.21878	1.9
501.31137	1.1
516.09296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	75.6
60.01704	0.8
61.98828	0.5
69.33055	3.5
90.97118	0.9
125.13017	0.5
132.98224	1.2
157.03543	2.9
159.01511	0.7
174.99229	20.4
201.02536	32.9
202.02774	1.6
217.00276	100.0
218.00636	1.8
236.94464	0.4
314.10553	0.4
343.03613	2.2
359.01437	60.1
360.01688	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	501.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63987	0.4
55.01883	2.0
56.10323	0.4
56.74746	0.4
57.46168	0.4
59.01376	13.7
61.98830	0.8
65.96118	0.3
69.76318	1.6
69.76745	0.9
71.01382	7.5
72.15406	0.3
72.99290	0.5
73.02960	1.0
83.01379	4.4
85.02950	1.0
87.00865	0.5
89.02443	4.5
92.08949	0.4
96.96001	0.9
101.02441	12.0
113.02420	2.0
115.18148	0.4
119.03484	1.6
149.07103	0.5
161.07210	0.9
163.08722	1.4
170.47260	0.5
176.05904	10.5
177.06683	16.6
188.05853	1.3
189.06665	0.6
191.08250	21.7
192.08585	0.8
201.10304	0.6
203.08295	3.0
205.06161	33.8
206.06496	1.4
213.60936	0.5
215.08226	1.0
216.05447	0.5
219.07724	32.3
220.08037	1.6
223.05946	0.4
227.08186	1.3
231.07657	2.1
243.07704	1.3
245.09242	1.6
247.07225	0.6
257.09302	1.9
259.07184	0.6
261.08633	0.6
270.27527	0.4
273.08572	0.6
293.11472	1.0
303.09811	1.0
321.10822	4.7
339.11877	6.7
447.01135	0.4
483.16199	1.8
501.17224	100.0
502.17578	8.8
528.48077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37961	0.4
57.03455	1.2
58.00602	0.8
59.01380	100.0
61.98832	2.6
71.01384	21.8
71.01782	1.0
71.50890	0.7
72.01720	0.6
72.99313	2.6
73.02940	2.4
75.00880	1.0
77.77808	0.5
83.01402	1.7
85.02942	5.2
87.00882	4.8
88.98808	0.9
89.02443	22.6
95.01405	1.1
96.96028	1.1
99.00883	1.4
99.08167	1.2
101.02444	12.5
109.02998	0.7
111.00905	0.7
113.02445	9.5
114.05676	0.5
115.00374	14.0
115.01163	0.8
117.03461	1.0
119.03502	10.4
119.04960	0.6
123.04503	1.0
125.02542	0.5
127.00372	2.9
127.07671	4.4
129.02023	0.6
129.05574	3.8
131.03554	1.6
134.03732	2.3
135.02980	2.2
137.02493	0.6
143.03523	1.8
145.02940	4.4
147.03049	0.6
153.05652	0.9
157.01494	0.5
161.02483	1.3
161.04543	4.5
161.13284	0.6
163.05745	0.4
171.06667	2.0
173.13385	1.3
175.02478	27.8
176.02927	0.9
178.02754	1.6
179.05608	7.4
179.07053	0.7
189.07695	3.1
193.05043	3.0
199.14899	2.2
202.66745	0.4
207.05066	2.4
209.04607	0.8
217.16002	2.8
231.08777	0.5
235.40916	0.4
237.04092	0.7
304.70444	0.5
307.08380	1.5
313.10309	0.5
347.09906	2.5
367.11554	0.5
397.22479	1.1
429.21439	0.6
441.21408	1.6
446.98447	0.5
459.22498	0.9
501.16479	0.9
501.23834	6.4
501.30850	1.1
502.25412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01378	18.4
61.98823	1.4
66.13640	0.3
67.01891	3.1
71.01389	1.8
73.02941	0.6
80.71333	0.3
85.02956	1.1
85.95763	0.3
87.00872	8.1
89.02465	0.6
99.00887	0.4
101.02450	1.1
111.00878	100.0
112.01192	2.0
113.02452	0.8
129.02037	0.4
137.25192	0.3
152.45045	0.4
154.99896	0.5
168.01096	0.4
173.00899	8.7
239.82674	0.4
298.81802	0.4
327.21701	1.6
357.26392	0.5
501.23380	2.8
501.30673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98835	2.6
64.60688	1.1
69.58385	0.9
69.58739	7.2
71.01387	4.5
78.95902	4.1
83.78304	1.1
84.94143	1.1
85.02943	1.8
89.02434	2.4
101.02457	3.7
110.32925	0.9
113.02441	5.4
123.64548	1.1
126.66727	1.1
151.57298	1.0
152.99590	3.6
161.04568	2.1
204.25282	1.0
251.33162	1.2
277.21893	1.1
279.23270	96.3
280.23563	6.1
293.24606	2.6
321.24393	2.0
328.60541	1.1
456.38040	1.2
501.35815	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	501.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.74969	0.2
57.96847	0.2
59.01375	5.4
59.36558	0.2
61.98809	0.2
71.01378	3.7
71.50619	0.3
72.99319	0.2
73.02935	0.9
78.95897	0.4
83.01382	0.4
85.02945	0.9
86.57525	0.2
87.00883	0.4
89.02444	2.8
91.03967	0.3
95.01390	0.4
99.00857	0.2
101.02440	4.4
113.02448	1.9
119.03494	0.7
129.82750	0.2
133.05048	0.4
136.63214	0.2
140.76823	0.2
143.03485	0.5
145.05161	0.2
149.04529	0.2
152.99583	0.3
161.04546	1.3
179.05560	0.6
235.06085	0.2
235.08214	0.9
247.20610	0.4
253.09270	13.2
254.09656	0.5
265.21698	100.0
266.22021	6.8
266.24857	0.3
271.22659	0.3
273.23187	0.2
501.36154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68118	0.6
57.03455	3.5
59.01374	1.9
61.98825	1.7
65.73781	0.5
67.44373	0.5
70.04316	3.3
76.33131	0.7
83.05026	1.0
95.05030	1.1
97.06596	10.1
98.36382	0.6
120.18611	0.6
123.08152	4.7
125.09719	61.8
126.10037	2.0
127.11299	2.1
143.10757	1.7
155.10855	0.6
162.85512	0.7
169.08775	1.5
171.10260	1.7
173.11771	3.1
187.09753	24.5
188.10094	1.3
192.72514	0.8
247.20654	1.9
265.21783	1.5
291.19632	1.0
295.22720	1.5
309.20792	1.9
313.23782	5.5
327.21689	1.6
329.23285	1.5
331.24869	18.5
332.25220	1.4
403.09842	1.2
415.09369	0.9
420.09903	1.3
425.07941	0.8
435.12173	1.4
443.09122	1.2
458.11108	1.1
468.09695	0.9
471.08850	0.7
483.33307	3.0
486.10815	3.0
501.13409	13.0
501.34329	100.0
502.13766	1.6
502.34683	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	501.3583
Annotation	Quercinic acid C
Peak:m/z	Relative Intensity
51.47689	0.3
59.01370	1.2
59.77135	0.3
60.99987	0.3
61.98824	1.8
62.92497	0.3
71.01377	0.5
72.83710	0.3
78.11263	0.3
78.95889	0.5
92.00085	0.3
101.02399	0.4
125.02412	0.4
152.99582	0.6
169.54704	0.3
178.54451	0.3
200.61180	0.4
225.22328	0.5
227.22795	0.6
243.29898	0.3
253.09259	1.1
265.21677	8.9
266.22141	0.6
271.22763	0.9
272.23166	1.0
273.23471	1.3
311.77072	0.4
346.73984	0.4
439.35608	1.2
457.36841	33.0
458.37088	3.9
464.49533	0.4
483.34860	1.3
501.35837	100.0
502.36182	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06157	0.3
59.01372	4.5
59.17086	0.3
61.98827	31.5
63.14537	0.4
68.48987	0.4
71.01376	3.5
71.08132	0.9
71.15960	0.4
73.02939	0.5
77.75694	0.4
78.95890	0.8
83.01377	0.6
85.02930	1.1
89.02428	2.7
92.27454	0.4
94.59953	0.4
94.62580	0.4
101.02423	3.1
103.89522	0.4
106.44664	0.4
113.02444	1.3
119.03473	0.7
143.03537	0.4
152.99536	0.8
161.04529	1.8
165.63817	0.4
179.05605	0.6
224.50864	0.5
235.08229	1.2
253.09256	11.6
267.23260	100.0
457.36844	1.4
458.37253	4.9
501.35556	0.9
502.36136	9.5
503.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97883	0.9
53.00991	1.0
56.39040	1.0
61.98830	100.0
68.86617	0.9
69.77070	6.1
97.32485	1.0
98.20597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91440	0.8
61.98832	100.0
68.56097	0.8
71.51268	1.7
82.48448	0.8
94.09452	0.8
100.05967	1.0
102.85281	0.9
109.04082	2.9
130.48610	0.9
134.53290	0.9
152.04588	0.9
176.19119	1.2
184.24097	1.1
266.22055	1.6
283.28619	1.0
337.21790	1.8
364.65359	0.9
430.80905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99516	0.5
61.73288	0.6
61.98832	100.0
65.73927	0.5
72.01717	0.6
98.19854	1.0
121.15608	0.8
128.74030	0.6
212.27167	0.6
434.51642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41014	0.8
57.03444	0.8
57.49578	0.7
59.01385	7.8
61.98820	2.1
71.01373	4.0
71.50589	1.0
73.02933	0.9
75.00870	0.9
75.69165	0.7
83.01418	0.8
85.02948	2.2
89.02444	0.9
93.03538	0.8
99.00922	0.9
101.02425	1.3
105.38286	0.8
110.83207	0.7
113.02459	1.4
114.26676	0.8
119.05022	100.0
120.05347	2.7
135.04538	0.9
145.02933	2.0
163.03998	96.8
164.04314	3.7
193.04933	0.9
207.08095	1.2
235.07622	2.1
236.95218	0.9
239.07036	1.1
251.07036	0.8
253.08749	2.4
262.06253	0.9
263.07120	5.2
264.07739	1.4
265.08804	0.8
268.10876	1.0
281.08170	11.3
290.67203	0.9
291.06586	2.7
292.07462	1.5
293.08029	3.9
294.09061	1.6
296.10440	1.6
307.09399	1.2
308.10526	2.4
309.07654	41.3
310.07877	2.5
323.09238	5.9
324.10004	18.3
325.10315	1.0
339.12335	45.1
340.12692	4.5
503.32404	12.3
504.32272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.00581	3.8
59.01375	100.0
60.01726	0.7
61.98831	4.8
71.01379	64.7
71.50362	1.3
72.01730	0.7
72.99300	4.4
73.02941	3.3
74.08846	0.7
75.00868	1.5
81.29035	0.7
83.01395	2.2
85.02943	8.7
87.00891	3.8
89.02441	83.4
89.97200	0.6
90.02820	0.7
95.01381	3.1
96.95984	0.8
99.00909	0.7
101.02439	29.4
106.06635	1.4
107.03465	0.7
113.02451	24.3
115.00400	1.9
119.03497	33.6
123.04547	1.0
127.49558	0.6
130.58257	0.6
131.03471	4.2
143.03487	7.4
149.04552	3.4
150.05583	1.5
161.04546	9.4
165.04073	1.2
167.71956	0.7
179.05597	32.0
180.05992	1.1
194.04517	0.9
221.31285	0.7
233.15431	8.0
245.15486	1.6
251.16663	0.9
258.88327	0.6
287.16858	1.4
413.21768	6.2
420.63638	0.8
468.62265	0.6
503.16766	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
56.39764	0.1
58.00597	0.2
59.01377	4.6
61.98817	0.9
67.95608	0.1
70.86185	0.3
71.01382	3.3
72.99324	0.3
73.02950	0.8
83.01376	0.6
85.02950	0.9
87.00868	0.6
89.02442	3.2
89.11266	0.1
91.04024	0.2
95.01400	0.3
97.02937	0.2
101.01795	0.2
101.02439	3.4
103.04001	0.2
113.02444	1.6
119.03470	1.0
125.02424	0.2
133.05031	0.3
143.03474	0.3
156.97052	0.1
157.05046	0.2
161.04568	1.1
179.05580	0.5
199.14993	0.1
202.01505	0.1
221.30447	0.1
235.08229	1.1
253.09276	12.6
254.09604	0.4
267.23264	100.0
268.23602	7.3
311.38947	0.1
313.59061	0.1
329.51212	0.1
492.10352	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	503.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03447	4.7
58.00593	1.0
59.01377	31.1
61.98833	1.0
64.97681	0.6
67.01904	1.1
69.03430	0.7
69.32243	2.8
69.32667	2.6
71.01381	51.9
72.99287	2.1
73.02940	17.2
75.00874	1.0
76.06879	0.7
83.01373	11.0
85.02950	27.0
85.06572	1.4
86.00101	2.0
87.00880	4.1
89.02453	4.6
95.01372	5.0
97.02945	1.0
97.06573	2.0
99.00869	6.7
101.02439	40.7
109.06530	0.6
111.00877	24.1
113.02444	19.5
119.03489	1.9
125.02442	1.3
125.09736	0.7
126.94901	0.7
129.01927	1.5
129.05603	0.7
141.01909	1.4
143.03476	1.9
150.02838	0.7
153.05539	0.6
159.02974	4.6
161.04558	11.6
173.00897	1.3
179.05476	0.6
213.18460	1.2
222.73926	0.8
225.18568	0.9
257.69431	0.7
281.24823	1.3
293.24823	1.6
299.54559	0.7
305.24902	1.8
311.26096	1.0
340.10245	0.7
341.26932	12.2
361.18533	5.2
385.29901	0.8
455.30399	0.9
459.23248	0.7
467.30011	7.1
468.30273	1.1
473.31467	2.0
503.32257	100.0
504.32654	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	503.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.64056	0.3
57.03448	0.9
57.92615	0.3
58.00593	0.3
59.01379	100.0
60.01717	0.9
61.98838	1.0
64.48756	0.3
70.64613	0.4
70.64946	0.6
71.01379	9.5
71.05030	0.3
72.99339	0.6
73.02946	3.3
81.03425	0.3
83.01392	2.8
83.05013	0.6
85.02953	6.4
86.00130	0.5
87.00868	0.7
87.04463	0.3
89.02444	2.0
95.01400	1.0
99.00889	2.0
101.02442	7.1
109.69478	0.3
111.00912	0.9
112.01723	0.3
113.02453	5.0
119.03481	0.4
119.05042	0.3
124.01644	0.3
139.07655	0.4
141.84399	0.3
143.03534	0.9
159.02968	0.4
161.04561	2.3
163.03976	0.3
168.49437	0.3
179.72685	0.3
203.55449	0.3
224.65451	0.3
226.06425	1.1
241.08727	1.6
294.67133	0.3
299.25867	3.2
341.27036	0.8
345.34348	0.3
359.28140	0.8
377.27463	0.3
413.29047	0.5
421.23361	0.3
443.30136	8.2
443.35840	0.5
444.30566	1.0
461.31152	10.6
462.31644	0.8
503.26801	1.3
503.33041	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	503.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.64056	0.3
57.03448	0.9
57.92615	0.3
58.00593	0.3
59.01379	100.0
60.01717	0.9
61.98838	1.0
64.48756	0.3
70.64613	0.4
70.64946	0.6
71.01379	9.5
71.05030	0.3
72.99339	0.6
73.02946	3.3
81.03425	0.3
83.01392	2.8
83.05013	0.6
85.02953	6.4
86.00130	0.5
87.00868	0.7
87.04463	0.3
89.02444	2.0
95.01400	1.0
99.00889	2.0
101.02442	7.1
109.69478	0.3
111.00912	0.9
112.01723	0.3
113.02453	5.0
119.03481	0.4
119.05042	0.3
124.01644	0.3
139.07655	0.4
141.84399	0.3
143.03534	0.9
159.02968	0.4
161.04561	2.3
163.03976	0.3
168.49437	0.3
179.72685	0.3
203.55449	0.3
224.65451	0.3
226.06425	1.1
241.08727	1.6
294.67133	0.3
299.25867	3.2
341.27036	0.8
345.34348	0.3
359.28140	0.8
377.27463	0.3
413.29047	0.5
421.23361	0.3
443.30136	8.2
443.35840	0.5
444.30566	1.0
461.31152	10.6
462.31644	0.8
503.26801	1.3
503.33041	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	504.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.8
60.01719	1.6
60.04313	0.4
61.01815	0.5
61.98830	100.0
62.77967	0.4
64.20186	0.4
66.91577	0.4
69.14439	2.8
69.14855	1.6
69.85905	0.5
71.01285	0.4
98.20690	1.0
157.03564	0.5
159.03474	0.6
174.99239	5.6
175.99626	1.2
177.96777	0.6
178.98473	0.5
201.02513	2.5
202.02715	3.0
203.02231	2.5
203.99980	7.2
217.00291	21.2
218.00627	5.5
219.00742	1.4
219.97751	57.5
220.99590	1.5
229.25751	0.4
268.33228	0.5
359.01526	1.2
360.01657	6.1
361.01358	6.0
361.98727	23.0
362.99280	2.1
425.23703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77382	1.3
59.01355	1.6
61.98826	100.0
65.66692	1.2
68.42436	1.1
75.00859	1.6
78.95940	1.1
84.59049	1.1
85.02953	1.4
255.23204	7.4
391.84589	1.2
502.21768	1.3
504.55347	1.3
505.30194	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	504.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66676	0.4
55.01879	2.7
57.03433	1.4
58.00584	0.9
59.01379	16.5
60.01752	0.4
61.98811	1.3
63.39110	0.4
65.47111	0.4
69.03432	0.6
69.19304	0.7
69.19699	3.5
69.59156	0.4
71.01379	15.8
71.07419	0.3
72.99309	1.0
73.02946	6.5
81.03454	0.9
83.01390	5.0
83.04989	0.5
85.02947	9.0
86.00079	1.8
87.00881	0.6
89.02442	1.0
95.01372	1.8
97.02959	0.5
99.00875	3.1
100.07681	2.2
101.02439	14.8
102.42047	0.4
111.00890	3.7
113.02461	4.8
115.00397	0.7
123.04508	1.4
129.01898	1.0
159.02991	0.7
161.04503	0.7
194.15396	0.7
214.18243	0.7
236.05467	0.4
240.23239	1.1
241.05035	0.4
255.03204	0.4
268.22769	2.5
270.24313	3.5
298.23856	13.7
299.24237	0.9
342.14291	0.9
460.29175	5.0
504.28116	100.0
505.09885	0.9
505.28418	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	504.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66576	0.3
51.75066	0.3
52.29615	0.4
52.90252	0.4
55.01872	2.2
57.03445	1.9
58.00612	0.6
59.01381	15.6
59.81205	0.4
61.98835	2.0
62.61421	0.4
67.28165	0.4
69.03420	0.4
71.01382	15.3
72.00883	0.4
72.29605	0.3
72.99288	0.9
73.02946	5.8
75.74450	0.4
77.44463	0.3
81.03436	0.6
83.01381	4.8
85.02946	9.2
85.03461	0.5
86.00074	1.1
87.00877	1.5
89.02416	1.2
90.84190	0.3
94.31785	0.4
95.01375	1.4
97.02919	0.5
98.02496	0.5
98.06115	0.4
99.00883	2.3
100.07677	2.3
101.02442	13.5
111.00878	3.4
113.02454	4.5
119.04955	0.5
123.04518	2.6
124.04858	1.0
125.02473	0.5
129.01909	0.7
130.08760	0.5
159.02980	0.8
161.04541	0.9
170.04573	0.6
192.10284	1.0
195.13930	0.6
196.02568	0.6
212.16583	0.4
214.03595	1.1
236.05647	0.5
240.23271	0.7
241.04980	0.8
266.93546	0.4
268.22897	1.8
270.24265	3.2
298.23877	13.7
299.24158	0.8
341.14072	0.8
342.14349	2.3
460.29236	5.0
461.29175	0.6
470.23141	0.5
504.28143	100.0
505.28424	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13716	0.1
59.01370	0.5
61.98820	0.1
70.36295	0.1
71.01385	0.1
78.01527	0.1
78.95899	6.2
96.96931	0.1
105.73058	0.1
112.74166	0.1
152.98384	0.1
152.99583	1.1
168.04298	1.8
171.00549	0.2
224.06880	1.1
227.03230	0.1
231.40817	0.1
242.07970	2.8
243.08220	0.1
245.04161	0.1
261.22217	0.5
277.21710	2.6
279.23257	100.0
280.23587	7.0
504.30914	6.2
505.24875	0.7
505.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22823	0.5
59.01375	1.4
61.98819	1.8
62.27329	0.4
64.67012	0.5
80.85101	0.5
117.74667	0.5
121.02951	100.0
121.26788	0.5
122.03263	2.9
131.60913	0.5
152.99550	1.5
178.02774	0.5
181.06566	3.7
197.06049	2.3
207.04462	0.9
225.05565	2.9
257.09680	0.7
258.54337	0.5
313.07150	5.9
314.33951	0.4
329.08057	0.5
357.06027	0.6
365.56622	0.6
373.10663	0.6
383.07855	1.2
417.09769	10.1
418.10110	1.1
460.40958	0.5
474.07648	1.0
505.11331	9.6
506.11609	0.7
517.71362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01378	40.9
60.01712	0.2
61.98840	0.3
64.53055	0.2
69.23175	1.8
71.01385	4.5
73.02948	1.1
74.02471	1.3
83.01395	0.8
85.02952	2.1
87.00893	0.3
89.02437	1.2
95.01368	0.4
98.20722	0.4
99.00883	0.6
100.04876	0.2
101.02432	2.7
111.00840	0.2
113.02429	1.9
115.00378	0.5
119.03523	0.3
133.01457	0.5
133.02934	0.4
134.03743	0.3
137.02473	0.3
143.03481	0.2
159.02975	0.2
161.02475	0.3
161.04535	0.9
169.06502	0.4
176.01086	0.3
178.23724	0.2
182.07286	1.2
184.12912	0.2
196.57625	0.2
197.06046	0.7
198.06850	5.5
209.06075	1.0
210.06767	0.3
211.13400	0.2
225.05605	1.9
226.06342	58.9
227.06680	3.5
239.51118	0.2
241.08691	100.0
242.09016	5.8
257.15781	0.2
293.02902	0.4
329.13608	0.4
343.28522	0.5
345.17026	0.4
443.08743	0.2
473.07166	0.4
477.17191	0.3
504.27982	0.4
505.10208	0.1
505.17249	3.7
505.27710	0.8
505.34763	5.1
506.17758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51382	1.0
59.01376	100.0
61.98823	2.6
70.51593	3.6
70.51961	1.3
71.01392	8.8
71.40719	1.0
72.99344	1.3
73.02944	2.1
74.53335	1.0
75.00870	2.7
76.48743	1.0
83.01357	1.3
85.02934	2.8
87.00856	1.2
87.05618	1.5
89.02452	6.9
89.07731	1.0
95.23508	1.0
96.08846	1.1
96.96014	2.0
101.02418	6.7
110.77032	1.0
113.02435	5.5
114.05567	3.5
115.00308	1.4
115.05846	1.0
115.92037	1.1
118.98074	2.3
119.03493	2.0
119.05050	2.6
128.91782	1.1
147.04459	1.7
151.04036	2.9
158.09346	4.7
159.09673	2.6
160.89265	1.7
161.02446	11.7
161.04512	1.9
161.95311	1.0
163.03973	2.5
164.07249	1.1
165.05542	16.7
176.04776	11.0
179.03485	22.9
179.05307	1.7
186.05595	1.3
191.07089	3.7
194.05817	31.3
195.06154	1.7
209.08170	98.3
210.08475	4.8
243.19815	1.0
255.06633	1.2
297.34070	1.0
343.14203	1.2
460.22409	1.1
461.22482	6.1
488.96143	1.1
505.16504	1.6
505.23523	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	505.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
71.08109	1.0
78.95898	10.0
84.79969	0.5
92.84488	0.5
96.96962	1.2
101.88338	0.5
110.01861	0.6
152.98383	1.1
152.99567	16.6
160.86055	0.6
171.00586	1.5
227.03279	2.4
245.04301	1.7
275.20145	1.1
277.21686	100.0
278.22000	7.4
299.24518	0.6
392.90439	0.6
394.07211	0.6
505.25662	27.9
506.26111	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	505.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11263	1.3
52.86822	1.2
53.01683	1.1
55.01867	1.5
57.03419	3.1
59.01374	10.7
61.98830	15.8
65.67747	1.4
66.91886	1.2
69.03439	1.6
71.01385	21.1
71.50907	1.3
71.51305	2.0
72.99300	4.6
73.02934	2.2
75.00868	16.3
78.95898	7.3
83.01381	3.8
83.32411	1.4
85.02946	22.6
87.00846	7.2
89.02428	4.9
95.01404	7.9
96.96903	1.6
99.00876	13.4
103.00339	2.9
108.16898	1.5
111.00828	1.5
111.91450	1.5
113.02441	33.8
115.00345	2.2
117.01934	1.8
123.31391	1.5
138.73097	1.4
148.56012	1.4
152.99619	10.1
175.02551	1.7
205.07115	3.1
223.08170	1.8
227.03192	4.7
231.05032	1.6
242.09848	1.6
249.06131	11.0
255.23267	96.7
256.23621	7.1
267.07220	7.9
273.57877	1.4
281.73270	1.5
293.63364	1.4
333.76501	1.5
418.38696	1.5
505.30127	100.0
506.30475	11.4
509.30365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03423	0.7
58.00615	0.9
59.01378	13.3
61.98822	2.2
62.65755	0.4
64.75658	0.5
71.01380	9.2
71.50661	0.6
72.99289	0.9
73.02938	3.3
83.01373	1.8
85.02947	2.6
87.00868	0.7
89.02422	2.9
93.03474	0.6
99.00871	1.2
101.02436	5.1
107.01418	0.9
109.02937	0.9
111.00879	0.7
113.02446	2.4
115.00381	0.9
119.03484	0.9
119.05039	1.3
121.02972	1.3
121.06605	0.6
123.04474	0.6
145.09819	26.6
146.10165	0.6
147.04572	0.7
148.01685	0.7
149.06158	0.6
151.00388	4.2
161.04611	0.6
163.00296	0.7
165.05598	1.2
178.99854	1.7
193.05089	1.1
199.04016	0.6
226.02733	1.6
227.03535	1.6
237.07678	0.7
243.02945	5.8
254.02165	1.8
255.02979	10.4
255.05493	0.9
256.03278	1.1
271.02463	29.3
272.02908	2.2
297.25574	0.7
299.02045	0.8
300.02737	36.5
301.03448	15.1
302.03986	0.9
311.10367	1.1
316.96121	0.5
324.50476	0.5
343.26013	14.4
344.26462	1.2
355.09161	0.7
361.16699	0.6
379.56320	0.5
401.18237	1.8
441.70343	0.5
443.67737	0.6
445.20673	1.8
463.08908	0.9
469.17258	0.5
473.12161	0.9
487.30441	3.9
505.09811	26.0
505.31415	100.0
506.10135	3.3
506.31693	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	505.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38715	0.5
55.01876	4.7
57.03454	3.6
58.00586	1.1
59.01379	27.5
61.31647	0.5
61.98839	0.9
69.03451	1.1
69.51047	1.5
69.51469	2.4
71.01382	48.0
71.05012	0.6
72.99302	2.0
73.02943	16.2
75.00858	1.0
79.55294	0.5
83.00925	0.8
83.01388	9.3
85.02948	22.8
86.00085	1.6
87.00856	3.8
89.02446	5.6
95.01373	4.6
97.02938	0.9
99.00876	7.1
101.02441	34.2
102.02790	0.6
108.02199	0.7
111.00869	7.3
113.02449	17.1
114.02863	0.5
115.00360	1.5
119.03492	2.0
121.10223	3.4
124.18644	0.5
125.02387	1.0
127.07651	0.6
129.01939	1.2
129.05589	0.7
133.01443	1.4
133.02969	3.6
134.03752	4.7
137.02434	1.1
141.01923	1.2
143.03493	1.7
159.02985	4.1
161.04543	11.5
165.05510	0.6
165.12798	0.5
176.01144	1.4
177.01894	2.2
178.02631	1.5
179.05629	0.6
183.13828	0.6
185.15486	4.9
211.13385	4.4
220.00105	1.2
241.08754	0.6
293.03040	2.2
309.14835	1.0
313.27368	0.5
327.16006	1.6
343.28516	8.1
345.17010	5.4
346.17422	0.6
347.20749	5.1
364.81720	0.5
389.16028	1.1
427.32440	0.5
445.31311	0.7
475.32809	2.3
487.32739	0.7
503.32370	1.1
505.33832	100.0
506.26852	1.0
506.34030	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	506.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98826	100.0
69.33459	1.4
69.33891	1.4
71.01392	1.1
88.81723	0.4
89.02463	0.7
93.03464	0.6
93.86314	0.4
99.00842	0.5
113.02440	0.5
113.99614	1.4
115.00379	0.5
119.05001	0.4
120.01251	0.8
129.01865	0.4
181.05084	0.7
203.03496	4.6
205.05049	1.5
266.17490	0.4
277.05615	10.0
299.21106	0.4
301.06021	0.4
325.09424	0.7
337.07651	1.8
383.09903	1.7
395.10046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1082
Annotation	emodin dianthrone
Peak:m/z	Relative Intensity
50.86666	0.4
59.01373	2.5
61.98834	0.8
63.07257	0.4
69.38943	3.6
84.77787	0.5
96.95992	0.6
98.20778	0.4
102.53606	0.4
105.01936	2.0
115.92061	0.9
124.52993	0.4
131.39967	0.5
161.02521	1.2
165.05386	0.5
169.02913	1.0
173.02290	0.5
182.03870	0.6
197.02440	0.7
198.03183	1.2
208.46323	0.4
209.02312	0.9
211.03957	2.3
223.03979	0.7
225.01942	4.8
226.02773	2.8
227.03447	0.6
235.04008	1.9
237.01961	1.4
238.02795	1.2
239.03462	0.8
240.04292	2.6
241.05063	3.3
250.02731	0.9
250.06418	0.8
251.03436	2.4
263.03381	0.8
267.02875	0.5
276.27890	0.5
279.02887	0.9
279.41684	0.5
290.02252	0.9
291.02869	1.2
294.05325	7.4
304.09351	0.5
309.07736	3.9
337.15866	0.5
349.08704	1.0
359.07050	0.7
360.07889	0.9
365.08173	0.5
370.06055	0.5
375.06613	0.9
376.07309	1.4
377.08203	2.8
378.08472	0.5
387.06659	1.2
388.07437	3.0
389.08124	1.8
391.05923	1.1
392.06827	0.7
393.07547	1.9
399.06451	0.6
403.06003	1.9
404.06924	4.6
405.07684	6.3
406.08044	0.9
414.05161	0.7
415.06210	3.0
416.06680	1.5
417.07877	0.5
420.06342	3.7
421.07068	2.4
431.05447	2.1
432.06409	4.5
433.07150	8.8
434.07758	0.8
436.09338	0.9
443.05405	1.2
447.08771	2.5
449.06595	1.5
459.05081	1.3
460.05911	2.8
461.06567	3.3
463.07986	1.2
464.09073	4.9
465.09555	0.8
475.08292	9.7
476.08548	1.7
477.06195	1.5
491.07608	1.1
492.08487	13.5
493.08777	1.5
507.10803	100.0
508.11185	11.7
532.06696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16625	1.3
54.20573	1.5
54.35581	1.3
59.01363	4.9
61.98815	2.4
71.50500	1.9
78.95895	4.2
84.85176	1.6
94.83286	1.4
96.95988	2.4
96.96897	1.5
99.06783	1.5
105.54649	1.4
118.12859	1.6
152.99554	6.8
159.62477	1.6
168.35559	1.5
196.05348	1.8
197.02368	3.0
211.04092	1.9
211.13443	1.6
213.01848	1.6
224.04735	2.0
225.01787	3.9
226.02605	2.4
237.01971	7.9
239.07013	1.8
240.04236	4.8
253.01355	11.6
253.03726	1.6
253.05029	1.9
269.04510	20.4
353.50327	1.6
362.09409	2.8
376.07379	1.6
389.04160	3.5
389.08514	2.6
390.08987	2.7
404.06915	3.2
405.07263	2.2
406.08414	2.0
416.06894	3.8
417.07721	5.1
418.08041	1.8
431.09372	2.7
434.07733	2.4
447.08749	6.7
448.08981	2.0
449.10202	21.4
450.10547	4.1
460.09863	3.6
462.07275	3.2
475.07437	4.4
475.12552	4.3
476.09265	3.1
477.09653	16.2
491.11389	3.9
492.12778	15.9
507.14844	100.0
508.14948	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98822	1.1
64.32748	0.5
69.28824	3.0
69.29234	1.6
71.01380	0.7
81.83979	0.6
108.28227	0.5
115.92025	1.4
211.03987	0.7
222.53946	0.7
223.13426	0.7
253.05093	0.5
291.19437	0.6
309.20667	3.2
318.49973	0.6
330.31204	0.5
349.08606	1.1
362.09412	2.5
375.18295	0.5
377.08093	3.8
378.08939	2.3
389.08133	1.9
390.09000	5.8
391.09610	0.6
392.06857	0.8
393.07755	2.6
394.08215	0.7
405.07428	6.4
406.08356	13.8
407.08902	1.8
416.06564	0.8
417.07657	1.7
418.08014	1.2
421.10718	1.3
433.06705	2.8
434.07874	10.2
435.08316	1.4
445.07047	6.9
445.12485	0.6
446.07599	0.8
449.10287	25.4
450.10443	3.2
460.09567	3.2
461.06598	1.2
462.07397	20.6
463.07858	2.5
477.09744	31.3
478.10172	3.5
491.11057	0.7
492.12125	29.0
493.12399	2.9
507.14444	100.0
508.14713	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	507.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
61.98820	1.0
69.56297	0.6
71.01383	3.5
73.02938	0.9
83.01367	0.7
89.02428	1.6
95.03751	0.8
96.00898	1.7
99.04523	0.6
101.02431	1.2
106.06647	1.2
113.02424	1.9
115.00368	0.8
119.03477	1.2
119.04983	0.5
122.06097	1.9
124.07697	4.5
129.10341	1.0
132.03017	0.9
132.04552	19.2
133.05325	12.9
134.06119	3.2
143.03580	0.6
143.04961	0.6
148.04073	0.7
150.05598	1.3
165.04308	10.1
165.05591	0.7
176.03464	1.1
176.07172	0.9
177.04332	2.7
178.04996	1.7
186.09236	1.7
189.07628	0.6
193.86470	0.6
195.08081	0.6
197.09727	0.7
206.58156	0.6
209.03328	3.0
212.10938	0.7
213.06732	1.0
214.12331	3.0
215.11887	4.3
226.07469	0.9
229.09918	2.6
240.10468	1.0
241.09743	2.1
255.11307	1.1
257.12964	15.8
258.13156	0.9
283.10880	9.6
294.24255	0.6
301.11920	11.0
302.12115	0.7
303.11267	0.6
327.09827	0.9
335.74731	0.5
345.10873	100.0
346.11240	6.3
364.42267	0.5
387.11780	1.1
387.20111	1.9
442.53134	0.5
447.22366	0.7
507.16049	8.3
508.16318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49614	0.7
59.01377	15.1
61.45095	0.8
61.98833	1.5
65.68729	0.7
71.01382	6.6
71.50535	0.9
73.02937	1.7
75.00898	0.8
83.01389	1.1
85.02933	1.9
89.02430	2.8
96.00937	4.6
101.02428	3.5
106.06622	1.0
111.04446	0.8
113.02428	2.4
115.00367	1.8
116.23804	0.7
119.03484	1.4
122.06089	1.4
123.03248	1.0
124.07684	4.6
129.10342	2.2
132.03012	1.3
132.04544	22.0
133.05342	10.2
134.06085	3.2
143.73448	0.8
146.06097	1.0
148.04012	1.0
150.03108	0.9
150.05544	1.3
153.05544	1.3
165.02072	0.8
165.04297	12.0
168.02986	1.9
171.86650	0.8
176.03421	1.7
177.04253	2.5
178.04996	1.6
179.05438	1.0
186.09181	1.6
195.08119	1.0
197.09755	0.8
209.03229	3.0
214.12369	2.5
215.11815	4.4
229.09837	2.5
240.10324	1.7
241.09631	2.4
244.10966	0.9
257.12964	17.3
276.17090	1.5
277.05258	0.7
283.10870	7.8
301.11884	10.1
325.12109	1.0
327.09848	1.6
345.10870	100.0
346.11182	7.0
387.20358	4.0
442.46048	0.9
447.22787	1.3
489.19815	2.3
507.15930	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	507.1808
Annotation	5,7-Dihydroxy-6-methylflavan-(2beta->7,4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.22073	0.7
58.39043	0.6
59.01369	1.9
61.98831	0.9
62.44915	0.6
67.69032	0.6
71.51090	1.2
78.95901	8.6
96.95977	1.3
101.55605	0.6
133.02953	2.1
135.04538	1.5
152.99576	13.8
161.02434	12.5
171.00636	1.6
196.51254	0.7
227.03204	2.4
230.17824	0.7
245.04381	1.3
258.90176	0.7
271.22769	0.8
279.23279	100.0
280.23651	6.6
304.93539	0.7
362.99323	0.6
373.08685	0.8
391.09668	5.5
415.10638	0.7
415.24930	5.0
417.11270	5.1
418.08487	1.1
419.09070	3.0
433.10638	3.1
433.25833	1.8
434.11646	9.8
435.11783	1.4
449.13940	16.3
450.14169	1.6
460.13382	3.6
462.11172	2.7
473.13971	1.5
474.14954	0.9
475.15634	6.8
476.11853	2.8
477.13376	9.1
491.15182	3.2
491.62204	0.7
492.15823	22.9
493.15958	3.0
507.18143	61.5
507.27652	26.9
508.18457	7.8
508.28223	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	507.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.8
58.67702	4.1
59.01381	57.1
61.98826	18.6
69.03436	5.5
70.64948	7.4
71.01374	33.9
72.99310	20.8
73.02950	9.2
74.94010	4.2
75.00897	4.3
77.63037	4.2
78.13879	4.7
83.01374	8.7
85.02960	9.1
87.00872	16.6
89.02419	7.1
93.03482	10.2
99.00853	34.7
101.02444	17.3
108.02200	5.9
109.02924	7.6
111.00906	22.4
112.19135	4.7
112.98821	10.2
113.02461	8.6
113.99601	12.7
115.00381	42.9
117.03488	6.7
119.03430	5.3
119.05006	6.3
121.02908	22.7
122.03747	18.1
123.04528	17.5
124.01668	11.8
125.02410	12.7
128.15485	4.2
129.05635	5.1
132.02165	7.2
133.02956	28.4
134.03725	15.4
135.04541	35.3
137.02467	22.5
139.03992	5.8
146.03786	5.1
147.00835	9.0
147.04488	15.6
148.05296	28.7
149.02440	23.9
150.03186	14.3
150.61620	5.1
151.03992	20.0
153.05583	6.0
154.02673	5.1
156.00668	30.6
157.01431	10.2
159.04478	6.9
160.01663	19.3
161.02429	34.4
161.06111	4.6
162.03206	13.0
163.04042	31.0
173.02461	14.1
174.01753	10.3
174.03209	24.6
175.02490	85.1
175.03990	16.3
177.01903	30.0
177.05539	5.1
178.02702	30.0
179.03479	9.4
187.03989	10.8
189.01912	30.2
190.02681	19.7
191.03503	38.6
192.04005	7.8
193.04921	6.1
193.68065	4.3
203.03537	30.4
204.03995	4.7
205.01451	12.2
206.02246	5.2
211.13408	34.1
215.03494	12.3
216.04269	25.0
216.31155	5.5
217.01498	12.6
217.04900	5.3
218.01941	8.2
230.02306	6.2
233.04491	13.4
234.05307	100.0
235.02470	16.8
235.05676	6.5
236.03195	35.1
260.03238	13.2
277.03552	42.1
277.06274	7.6
278.04214	28.9
291.19690	12.0
295.04514	9.2
296.05441	19.7
301.14291	9.8
309.20419	5.4
319.15494	5.0
326.68692	4.9
327.15714	5.4
345.17020	14.8
361.16385	5.9
367.15155	5.2
385.16550	7.5
389.16125	11.6
407.17178	21.5
427.17548	8.3
447.16315	28.4
471.16257	11.6
489.17587	5.9
506.34427	7.9
507.18201	10.2
507.34290	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	507.2023
Annotation	Kirondrine
Peak:m/z	Relative Intensity
51.01450	0.6
59.01376	5.7
61.98826	2.2
64.80328	0.6
69.37738	4.0
71.01395	1.3
75.15340	0.6
89.02454	0.7
98.19914	1.0
101.02476	0.9
115.62386	0.6
116.10934	0.7
117.03461	42.4
118.03809	1.4
119.05020	37.3
120.05382	0.9
121.02932	4.6
122.03715	1.1
123.04501	1.8
135.04536	1.0
137.02437	0.9
145.02948	100.0
146.03287	2.8
147.04500	3.2
151.03973	0.7
161.06071	1.7
163.03992	23.1
165.05577	2.5
173.06088	0.7
177.05550	7.8
191.07140	1.3
291.19583	2.0
296.15317	0.7
309.20676	7.3
327.09894	0.7
329.13794	3.2
343.15488	0.8
473.92120	0.8
507.20190	92.1
508.20618	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	507.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01376	53.1
60.82332	4.6
61.98821	14.9
68.37772	5.0
71.01372	11.0
71.50578	5.9
84.56832	4.8
95.83881	4.5
111.08156	9.0
113.02401	5.8
115.92046	8.1
119.05038	6.2
142.60521	5.0
143.13429	5.2
147.04552	11.8
163.37823	5.9
195.13919	70.1
197.11806	37.2
239.12846	64.0
291.19699	14.0
309.20685	100.0
310.20898	8.6
319.48450	5.0
362.34830	6.0
507.09976	7.0
507.16486	13.9
507.23975	8.0
507.33899	5.3
530.07141	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03794	1.2
59.01372	5.1
61.98827	2.8
69.37734	2.0
69.38136	6.7
71.01387	1.4
93.79996	1.0
94.43293	1.2
98.05466	1.2
101.02432	1.4
145.56914	1.3
147.04442	1.4
165.05498	1.6
165.12845	1.2
209.87227	1.2
211.13409	2.0
218.72005	1.2
228.15173	1.1
247.20596	1.4
248.94051	1.1
291.19629	12.9
309.20694	100.0
310.21008	6.6
507.15576	1.5
507.23718	1.7
507.33795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01376	53.1
60.82332	4.6
61.98821	14.9
68.37772	5.0
71.01372	11.0
71.50578	5.9
84.56832	4.8
95.83881	4.5
111.08156	9.0
113.02401	5.8
115.92046	8.1
119.05038	6.2
142.60521	5.0
143.13429	5.2
147.04552	11.8
163.37823	5.9
195.13919	70.1
197.11806	37.2
239.12846	64.0
291.19699	14.0
309.20685	100.0
310.20898	8.6
319.48450	5.0
362.34830	6.0
507.09976	7.0
507.16486	13.9
507.23975	8.0
507.33899	5.3
530.07141	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43337	0.5
59.01380	13.9
61.44426	0.5
61.98834	1.0
69.03457	0.6
69.21061	1.5
69.21473	3.6
71.01372	3.5
72.99291	0.7
73.02935	0.7
74.02463	0.9
83.01384	0.6
85.02956	1.3
87.00875	1.6
89.02440	2.0
99.00900	0.5
101.02437	3.2
101.23950	0.5
113.02448	1.5
115.00379	2.1
119.03452	0.6
120.37332	0.6
129.05580	1.0
139.78418	0.5
157.37772	0.5
161.04521	1.1
175.02481	4.4
179.10777	3.0
183.13863	5.4
184.72990	0.5
193.12320	1.7
211.13385	100.0
212.13716	5.4
253.09261	12.9
336.01053	0.5
447.22287	3.9
507.28049	1.8
524.38300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45996	0.4
58.34875	0.4
59.01375	0.7
71.08285	0.5
75.59812	0.4
78.95904	11.2
96.96957	0.9
152.99590	16.0
159.69444	0.4
171.00665	1.4
204.83290	0.4
227.03249	2.9
245.04343	1.3
261.22220	0.5
279.23288	100.0
280.23654	6.7
281.24890	0.5
282.25137	1.5
309.69937	0.4
507.27264	29.6
508.27429	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	507.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57926	0.5
55.95568	0.4
59.01379	2.3
60.10576	0.5
61.98845	1.7
71.07868	1.1
96.96015	0.9
117.03468	20.8
118.03779	0.8
119.05029	10.0
121.02952	2.1
123.04556	1.0
127.11334	0.6
133.03021	0.6
142.69846	0.5
143.66046	0.5
145.02956	100.0
146.03323	3.5
162.29297	0.5
163.04001	5.4
165.05405	0.6
204.36908	0.5
237.07651	0.6
241.21803	0.6
248.37196	0.5
287.22290	9.0
288.22589	0.7
347.25943	5.1
348.26218	0.5
377.08417	0.6
406.08337	0.7
415.24887	23.6
416.25311	2.5
417.07938	0.8
433.25952	18.3
434.07907	1.5
434.26376	2.0
449.10504	1.3
462.07150	1.1
473.85983	0.6
477.09766	1.7
492.11920	4.1
492.63538	0.6
507.14740	5.3
507.29626	40.4
508.29831	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	507.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
61.98827	1.1
69.44405	1.8
69.44810	0.7
77.95754	0.3
83.05018	0.4
87.96536	0.3
89.02445	0.8
91.04006	1.0
93.03495	0.8
96.95996	0.4
117.03468	20.0
118.03754	0.4
119.05026	9.7
120.05363	0.4
121.02998	2.2
123.04543	0.7
145.02953	100.0
146.03287	3.4
163.04010	5.0
166.55775	0.5
187.03984	0.4
204.15291	0.3
211.03883	0.4
239.93051	0.4
269.21347	0.6
287.22272	9.5
288.22580	0.5
334.08633	0.4
347.25925	5.9
361.68896	0.5
364.16263	0.4
371.25653	0.7
397.10275	0.4
415.24908	25.4
416.25143	2.5
433.25937	22.4
434.26047	2.7
507.29633	44.0
508.29968	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	508.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.4
61.98828	100.0
62.31478	0.4
69.81768	1.8
77.98709	0.5
94.73211	0.4
95.70323	0.4
101.79056	0.4
117.92683	0.5
159.25420	0.4
165.05618	0.5
211.27728	0.4
218.55334	0.4
369.93893	0.4
442.99655	0.4
533.91248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1237
Annotation	Biflavanone C
Peak:m/z	Relative Intensity
50.31207	0.9
59.01373	6.7
61.98820	3.9
64.95675	0.9
65.94257	0.9
71.01369	3.4
71.43623	1.0
71.50441	0.9
72.99310	1.8
87.00863	1.6
101.02431	2.1
103.00364	1.4
113.02422	2.1
115.00354	3.6
134.06155	1.5
136.04010	2.3
162.05623	2.1
174.26277	1.2
175.02490	4.3
180.38631	0.9
182.03772	3.3
183.04472	10.4
193.03526	4.0
210.03215	11.8
211.03992	66.7
212.04353	4.1
225.05621	1.0
225.41924	1.0
238.02734	8.5
239.03482	61.2
240.04176	9.9
241.04918	1.7
254.05870	8.5
255.06581	2.5
278.30798	1.1
315.08719	1.2
347.18530	1.4
347.24393	1.3
351.10443	1.7
363.10117	1.2
371.11633	1.0
377.08112	1.7
379.09845	2.6
391.09714	1.9
405.07678	3.8
406.08420	1.8
407.09256	2.0
421.17563	2.3
422.07895	1.3
433.07236	2.2
435.08658	4.1
436.08914	1.2
451.08295	1.2
460.37054	1.2
465.16370	1.3
479.07559	12.3
494.10062	34.8
495.10239	3.6
508.35959	2.6
509.12326	100.0
509.29926	3.5
510.12445	9.8
510.18442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19279	0.5
57.03448	0.7
59.01373	4.5
61.98812	1.6
68.99805	2.1
69.61217	3.4
71.01378	2.8
72.99318	0.8
73.02946	1.1
73.58073	0.5
75.00836	0.8
85.02946	4.3
87.00873	1.6
89.02441	0.9
98.20701	0.6
99.00871	3.2
99.08148	7.0
101.02420	1.3
111.00884	1.6
113.02458	3.7
113.99579	7.7
115.00375	4.8
118.00121	0.5
127.00377	2.1
127.07645	7.5
129.01888	1.2
129.05574	27.5
130.05910	0.7
132.04509	0.6
145.08713	0.9
157.01416	3.4
161.04446	0.6
169.43738	0.6
171.06561	1.4
174.01668	9.3
175.02480	0.7
189.07675	23.3
190.07968	0.9
208.89560	0.5
223.45155	0.6
276.89896	0.5
277.05621	13.1
287.09238	0.9
337.07730	100.0
338.08057	5.2
345.10608	1.0
347.11414	1.4
408.36810	0.5
494.20209	0.5
509.14682	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	509.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.5
60.21010	1.1
61.98822	3.1
65.89780	1.0
71.50190	2.1
72.99284	2.5
82.28460	1.0
87.04505	3.1
95.05020	1.8
97.02947	2.2
106.06624	47.3
107.05043	6.0
107.06925	2.2
108.04552	1.8
122.06133	1.4
125.06068	7.9
127.00407	1.3
132.04559	4.8
134.06117	51.2
141.05542	4.4
146.06082	1.9
148.07693	1.2
150.05608	9.6
158.42470	1.0
160.04025	16.5
161.04807	2.8
162.05600	100.0
163.05927	3.0
171.06818	1.4
174.05553	4.8
175.02541	3.3
176.03442	3.2
178.05132	2.2
186.05605	3.1
186.09158	3.0
187.06302	2.5
188.03525	20.7
188.07018	1.9
189.04007	1.0
190.05063	1.7
190.08745	3.1
192.06308	1.2
193.03729	3.6
194.04555	1.6
196.11290	1.6
198.09212	1.4
199.06360	1.1
200.07042	1.8
201.07780	1.6
202.08737	1.5
204.03040	1.8
204.06703	2.4
212.07156	3.0
212.10760	1.1
213.07925	1.4
214.08727	2.6
214.12389	9.7
215.09459	1.2
222.09088	1.6
224.07184	2.1
226.04897	1.3
226.08636	1.7
228.10057	2.2
229.08784	1.3
230.08151	8.6
238.08716	1.3
240.06670	1.5
240.10350	5.7
241.10738	2.1
242.08131	2.9
242.11916	7.6
243.11418	1.6
252.10242	2.2
254.08174	2.2
257.74164	1.2
258.11328	26.1
259.11700	2.9
269.09454	1.3
270.11349	4.9
279.11337	5.3
286.10843	3.6
287.80014	1.2
288.12332	5.4
296.09244	3.5
300.12143	1.4
302.10339	14.5
303.10580	1.4
307.10880	8.0
308.11459	1.5
309.08746	4.0
309.12253	1.4
314.10324	2.4
327.09644	2.5
333.12411	19.6
334.12650	1.7
346.09259	1.3
349.15570	1.4
359.17398	1.7
377.18604	3.0
385.10657	1.1
385.15402	3.2
403.11325	12.0
403.16586	8.4
421.17636	34.4
422.17929	4.7
429.14536	14.9
430.14481	1.3
434.16873	1.4
447.15552	22.1
448.15686	2.7
465.16595	28.0
466.16934	3.5
478.16153	2.3
491.14700	2.3
509.14966	2.9
509.21048	2.4
510.15271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63483	0.6
55.24319	0.5
59.01366	1.3
61.98818	1.0
70.51180	1.4
70.51546	0.6
77.34193	0.5
92.89942	0.5
195.04504	1.3
196.05415	0.5
210.03192	1.4
211.03995	4.7
223.03931	1.8
224.04767	4.8
225.05547	3.9
226.06155	0.6
238.06261	1.6
239.03471	3.5
239.07222	1.2
240.04175	1.3
241.04787	0.5
253.05029	2.0
254.05786	2.5
255.06563	0.9
309.20596	0.8
363.10181	0.6
364.11063	3.8
379.09558	0.8
380.10602	1.1
385.60922	0.6
390.08701	0.7
391.09814	1.0
392.10419	3.2
407.08832	2.7
408.09824	4.0
409.10760	1.9
417.07623	1.0
418.08368	1.3
419.09311	4.5
420.10016	3.0
421.06830	0.7
435.08160	4.4
436.09299	5.2
445.07666	0.6
446.07864	1.0
447.08701	2.4
448.09232	1.2
451.11856	22.9
452.12091	2.5
460.09436	0.8
461.10434	1.6
462.11020	1.9
463.08334	2.0
464.09125	6.4
465.08969	0.7
475.11902	0.9
477.13397	1.7
478.10532	3.5
479.11337	18.4
480.11725	1.6
484.42099	0.6
493.12964	5.9
494.13672	18.7
495.14105	1.6
509.16071	100.0
510.16473	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	509.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.31253	0.5
61.98846	2.4
65.44723	0.5
69.27252	0.8
69.27660	2.5
78.95907	0.5
93.03446	0.4
96.96024	0.6
188.32932	0.4
199.03987	0.9
209.11789	0.5
210.03178	0.5
211.04050	1.1
223.03915	0.9
224.04797	0.6
225.02010	0.9
225.05559	1.8
238.02756	0.5
239.03563	1.4
241.05099	0.4
253.01532	0.5
253.05122	1.0
255.02945	0.6
255.06305	0.5
306.10181	0.4
320.12100	0.6
363.10303	0.9
364.10977	6.1
365.11453	0.7
375.10260	0.8
379.09509	0.6
380.10513	1.6
389.08252	0.8
390.08896	3.7
391.09686	2.1
392.10492	6.6
393.11212	0.8
403.09918	1.5
405.11530	0.7
407.08606	0.9
407.13095	1.3
408.09882	4.1
409.10934	0.6
417.07712	1.1
418.08377	3.1
419.09305	5.8
420.10004	8.6
421.10614	0.7
433.10892	1.7
434.11713	0.6
435.12778	9.0
436.08963	6.1
437.09860	0.7
444.09653	0.5
446.08026	0.6
447.08603	1.2
448.09097	0.8
449.10342	0.8
450.11243	1.3
451.11844	38.2
452.12152	3.8
460.09601	0.8
461.10400	4.4
462.10959	2.7
463.11783	1.5
464.08704	0.6
465.13760	0.5
466.10373	0.6
475.11768	1.0
476.12686	0.7
477.09958	1.5
478.10483	2.9
479.11285	9.5
480.11847	1.1
491.15656	0.6
493.13272	3.2
494.13651	16.8
495.14072	1.5
509.16125	100.0
510.16531	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	509.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98815	0.4
136.52771	0.5
152.99623	0.4
155.29004	0.4
225.05605	0.4
238.06311	0.9
239.07205	0.7
256.57993	0.4
280.23636	0.4
375.10242	1.4
393.11206	3.6
403.09665	1.6
404.10486	0.9
417.11414	1.2
418.12201	2.0
419.12634	1.5
420.09909	1.2
421.10742	4.0
433.14337	1.5
435.12262	5.6
435.27594	0.5
436.13077	6.9
446.11612	0.9
447.12350	1.5
451.15491	17.4
452.15637	2.5
460.13004	1.3
461.13669	2.3
462.14700	1.6
463.11972	1.6
464.12534	3.0
475.15457	3.4
477.17642	2.8
478.14023	4.8
479.14935	13.6
480.15417	1.7
493.16504	9.9
494.17310	34.3
495.17447	3.9
509.19669	100.0
510.20010	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	509.1969
Annotation	7-Hydroxy-5-methoxyflavan-(4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
62.07250	0.5
62.15321	0.5
64.98416	0.6
69.92061	2.2
85.26738	0.5
87.82619	0.6
93.93474	0.6
106.49181	0.6
130.55272	0.6
147.49974	0.6
190.84418	0.6
193.72714	0.5
242.39189	0.6
281.23996	0.8
393.11282	13.4
394.11597	0.9
419.12872	0.8
421.10764	5.1
422.11328	0.8
435.12259	0.7
436.13150	22.0
437.13400	2.7
447.12241	0.7
449.10135	1.4
451.15491	26.6
452.15692	3.8
462.14996	0.7
464.12503	6.3
475.15872	1.1
477.16888	1.8
479.08228	0.8
479.14960	17.0
479.21558	1.2
480.15314	2.1
493.16370	0.7
494.17377	37.5
495.17624	4.5
502.11752	0.7
509.19678	100.0
510.20087	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	509.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.1
59.01380	73.6
60.01725	1.4
61.98827	11.2
62.32599	1.1
71.01363	6.1
72.99304	3.8
73.02934	5.1
79.27383	1.1
79.84777	1.1
81.97470	1.1
83.01382	2.6
83.05016	2.0
85.02940	2.4
87.00884	6.3
92.85096	1.1
99.00877	1.4
99.04520	2.8
101.02442	3.4
105.70261	1.4
107.12033	1.2
113.02440	3.5
115.00392	2.0
119.05052	1.4
119.08672	3.1
123.04491	1.7
135.08157	2.8
137.09709	11.3
144.85962	1.3
151.11282	2.5
153.00142	1.4
161.04494	1.6
161.09619	2.0
163.07631	2.5
175.02490	3.1
179.10747	7.6
181.08710	27.4
197.11823	38.8
198.12112	2.3
223.09663	7.6
229.08658	1.4
241.10826	100.0
242.11122	4.1
256.47476	1.1
259.85992	1.4
283.11807	2.9
300.40329	1.4
336.24966	1.2
343.13953	2.2
403.15878	3.2
449.27356	2.9
509.20288	73.5
510.20798	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	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16477	0.5
70.25414	1.3
78.95900	18.0
79.33716	0.4
96.96954	1.4
100.61857	0.5
140.34409	0.4
152.99577	31.3
171.00607	1.5
227.03226	4.3
233.33015	0.5
245.04309	1.3
281.24832	100.0
282.25204	6.6
417.23782	0.6
509.28784	52.4
510.28989	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	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
59.53509	0.9
60.32359	1.1
61.79183	1.0
61.98832	3.5
72.29490	0.9
78.95932	2.3
93.03452	5.9
96.96034	1.7
107.06284	0.9
110.55447	1.1
121.06599	5.5
147.04509	1.1
152.99651	2.9
156.76866	1.1
165.05571	83.1
166.05940	2.7
177.84325	1.0
183.04623	1.1
211.04114	3.0
224.04776	2.6
225.05652	3.1
239.03574	2.4
241.05328	1.2
269.04556	1.7
269.21271	8.1
287.22299	38.6
288.22650	2.9
307.16678	1.3
391.09790	2.6
417.26456	15.0
418.27170	1.4
419.09662	2.3
430.07990	1.3
434.11679	1.8
435.27512	100.0
436.09988	2.8
436.27762	8.7
438.15118	1.3
445.10767	1.6
449.13882	2.0
451.12085	4.1
462.11502	2.7
463.12405	1.8
477.13855	5.4
479.11349	13.3
480.12024	1.5
493.13303	2.6
494.13727	16.9
495.14502	1.6
509.16318	50.8
509.31070	14.5
510.16824	6.8
510.31430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81859	0.4
57.19731	0.4
59.01375	4.3
61.98829	100.0
62.26674	0.4
65.87635	0.5
71.01385	1.4
89.02465	0.9
101.02465	1.3
113.02465	0.6
115.00424	0.9
119.03530	0.6
119.05028	2.2
163.03972	4.2
200.25992	0.5
235.28906	0.5
244.81409	0.5
255.03081	0.8
284.03290	2.0
285.03995	1.3
305.04633	0.5
347.18671	1.6
348.19061	1.8
416.51074	0.5
447.09259	4.3
509.23071	0.7
509.29791	3.0
510.23889	1.1
510.30405	2.0
511.09244	1.8
511.28806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22498	2.2
59.01366	2.2
61.98826	81.4
63.82394	2.1
69.49126	5.0
69.49539	10.4
78.59933	2.2
98.20567	5.2
125.05899	2.0
128.11821	2.8
138.34581	2.1
148.95735	2.0
157.50800	2.3
168.73903	2.7
227.03479	39.7
255.02962	51.6
256.03513	6.8
284.03259	53.7
285.04050	15.9
370.49380	2.4
419.74628	2.6
447.09302	100.0
448.09708	6.7
509.30099	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	510.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98830	100.0
66.05585	0.8
69.16557	0.8
81.85386	0.7
86.94071	0.7
87.74348	0.7
88.47470	0.7
94.87366	0.8
96.18420	1.1
107.05096	1.0
132.89963	0.7
133.02965	1.7
134.03719	3.0
135.04529	28.8
137.02454	1.2
161.02434	1.8
176.56445	0.8
177.59399	0.8
179.03499	58.1
180.03816	2.5
197.50101	0.8
197.52066	0.9
218.73293	0.9
285.07684	7.7
286.07785	0.9
289.04987	1.2
341.08539	1.2
342.26401	0.9
376.33539	0.8
409.30057	0.9
447.13004	23.8
448.13199	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	510.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67748	0.4
61.98831	100.0
65.30259	0.4
67.79218	0.4
69.61188	0.8
69.61594	1.7
101.02465	0.4
103.45055	0.4
134.33980	0.4
174.61913	0.4
255.99571	0.4
304.87006	0.4
354.91928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67638	0.3
50.77621	0.3
59.01369	0.5
61.98832	100.0
69.12682	2.2
69.13107	1.2
71.01431	0.4
94.71455	0.3
104.13358	0.3
158.88042	0.3
163.16765	0.3
165.99831	0.3
182.36552	0.3
199.30678	0.3
236.03738	0.3
317.30118	0.4
348.10123	0.3
378.52002	0.4
489.45908	0.4
500.30728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47088	0.4
59.01377	3.9
59.96168	0.3
61.98829	100.0
67.69150	0.3
69.35525	1.8
69.35954	0.9
71.01385	0.9
71.83382	0.3
74.14777	0.3
88.75372	0.3
89.02470	1.0
97.99509	0.4
101.02448	0.4
102.02740	0.3
103.59512	0.3
118.97547	0.4
119.03487	0.6
139.11292	1.3
149.30347	0.3
179.05615	0.5
181.12369	0.9
183.10275	2.0
225.11342	0.7
233.53958	0.3
241.11043	0.4
243.12367	6.8
278.41757	0.3
289.79141	0.3
347.18707	0.8
348.18933	2.7
366.92587	0.3
381.33932	0.4
467.27335	0.4
492.45911	0.3
510.24738	2.1
511.21848	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	511.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
61.98828	100.0
62.06102	0.4
71.01368	0.8
73.02962	0.4
76.73086	0.4
81.43121	0.4
89.02486	0.4
91.33653	0.4
93.03484	0.8
110.00466	0.4
138.68924	0.4
145.02982	2.0
161.47473	0.4
209.11990	0.7
213.05597	0.5
225.04332	1.0
241.05043	0.7
242.04640	0.5
254.04579	0.9
256.03714	0.6
271.04773	4.3
286.07187	24.2
287.07361	1.0
351.58795	0.5
365.18173	0.8
504.94043	0.5
511.13638	0.7
511.21750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
59.05515	0.3
61.98832	100.0
69.91851	1.1
71.01385	0.5
71.06786	0.2
73.02895	0.3
98.19970	0.4
111.91088	0.3
183.10309	0.7
227.13100	0.3
243.12407	0.6
249.60876	0.3
275.04187	0.3
287.14874	1.3
405.17880	0.5
511.21921	0.5
511.36920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
61.98828	100.0
62.06102	0.4
71.01368	0.8
73.02962	0.4
76.73086	0.4
81.43121	0.4
89.02486	0.4
91.33653	0.4
93.03484	0.8
110.00466	0.4
138.68924	0.4
145.02982	2.0
161.47473	0.4
209.11990	0.7
213.05597	0.5
225.04332	1.0
241.05043	0.7
242.04640	0.5
254.04579	0.9
256.03714	0.6
271.04773	4.3
286.07187	24.2
287.07361	1.0
351.58795	0.5
365.18173	0.8
504.94043	0.5
511.13638	0.7
511.21750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01379	6.3
59.40404	0.5
61.98832	100.0
68.58833	0.4
71.01384	1.6
71.50639	0.7
73.02953	3.1
74.70373	0.4
79.95734	0.7
80.96515	2.6
85.02973	0.8
89.02451	1.0
94.98086	0.5
101.02436	1.1
105.01950	0.9
113.02441	0.7
115.02843	0.5
125.09720	0.9
127.07650	0.9
134.97691	0.5
135.03027	0.4
153.05612	0.8
181.08746	0.5
181.12381	0.5
185.42212	0.5
211.13423	0.8
224.03401	0.7
226.02823	0.5
239.03455	0.5
240.04344	0.5
241.10771	0.5
242.11247	0.5
243.12451	2.9
249.78734	0.5
253.03799	0.9
254.04518	0.7
255.06711	0.5
264.54785	0.5
268.06119	2.5
270.04089	2.3
271.04858	6.7
272.05185	0.6
285.06448	4.1
286.07211	9.7
331.15350	0.8
348.09952	0.9
361.17987	0.6
448.12521	18.0
449.12961	1.6
511.18265	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	511.1759
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
59.01364	2.8
61.93480	1.0
61.98818	4.0
67.38183	1.1
69.61174	6.2
96.96022	1.5
141.36974	1.0
169.06589	6.9
171.04500	3.5
185.06099	4.8
189.20912	1.1
195.04547	1.1
199.04002	1.8
211.03905	2.4
212.04669	1.9
213.05556	28.2
214.06076	1.9
223.03978	1.6
224.04744	1.8
225.05577	2.0
226.06425	3.5
227.07254	1.1
229.05037	1.7
239.03522	5.4
239.07176	3.6
240.04230	2.7
240.07994	1.9
241.05049	72.8
242.05449	4.8
255.06631	2.0
256.07336	6.3
257.04520	10.6
257.06934	1.0
257.08279	1.2
264.98611	1.0
323.75104	1.1
421.10712	1.5
450.11087	1.6
453.13342	1.2
464.12720	2.2
465.13412	6.1
479.15039	2.8
480.15421	1.7
481.12473	1.7
496.15271	13.8
497.15604	1.6
511.17645	100.0
512.18103	10.0
512.29901	1.2
515.21088	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	511.1758
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
59.01377	0.7
61.98818	0.9
69.28179	2.7
69.28582	0.8
77.23124	0.4
95.00648	0.5
98.20655	0.9
106.51062	0.5
108.02179	1.9
109.02948	1.6
119.12732	0.5
121.02918	0.8
123.04567	0.7
145.51041	0.4
157.42540	0.4
188.92850	0.5
195.04494	1.3
196.05254	1.3
197.06061	1.4
210.03281	0.5
211.04028	2.4
212.04747	2.0
212.08310	0.7
213.05539	4.9
223.03934	1.2
224.04750	2.5
225.05623	3.5
226.06322	1.3
227.07086	0.7
239.03453	2.4
239.07114	1.1
240.04315	2.7
240.07874	4.0
241.05048	8.6
253.05090	0.6
254.05692	0.5
255.06645	4.8
255.10196	4.5
257.08237	0.6
267.06641	1.4
275.20206	1.2
289.08395	0.6
300.54941	0.6
315.06586	1.2
316.07211	1.1
317.08054	0.8
327.06696	0.7
329.08200	1.6
343.06009	1.8
344.06778	1.7
357.07614	2.3
358.08289	2.9
359.09262	4.0
360.09753	0.7
371.09219	2.1
372.09909	1.6
373.10849	2.8
374.11154	0.7
387.12170	0.5
391.10397	0.5
393.11356	0.6
395.09265	0.8
403.09549	0.7
413.13998	0.8
419.09152	0.8
420.09845	1.0
421.10703	1.5
435.12088	0.7
437.09647	2.4
438.10724	0.8
439.11783	1.3
447.08749	0.9
448.09406	1.1
453.13715	3.0
463.12054	0.8
464.13297	1.3
465.13556	1.6
466.10617	1.3
479.10928	4.5
480.12082	11.9
481.12875	7.8
495.07181	0.9
495.14499	19.1
496.15219	16.4
497.15704	1.6
511.17609	100.0
512.17950	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66611	0.8
57.51697	0.7
59.01380	9.9
61.98832	3.9
69.37830	5.4
71.01379	4.8
83.19096	0.7
85.02966	1.3
85.90427	0.7
89.02452	3.9
100.47678	0.7
101.02422	3.0
109.02949	0.7
113.02431	2.2
115.00309	0.9
119.03478	1.1
127.07647	100.0
128.07954	2.9
133.02922	5.8
134.03766	1.4
135.04524	26.7
137.02428	1.8
145.08670	1.4
149.06085	5.2
161.01132	1.5
161.02434	24.3
161.04475	1.1
162.02754	1.0
163.03961	0.8
171.06622	97.7
172.05675	0.8
172.06935	3.7
177.05585	10.3
178.02615	1.0
178.05933	0.9
179.03484	33.9
180.03802	1.5
203.03452	0.8
206.29411	0.7
221.04517	14.2
251.05597	12.5
252.05876	1.1
269.52109	0.9
281.06662	21.5
281.09695	1.6
282.06931	1.1
307.14063	1.9
323.07602	1.2
341.08734	14.6
351.12927	23.5
352.13220	1.1
513.16101	44.5
513.22974	1.7
514.16113	4.2
515.71930	0.9
522.01984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
61.98821	4.3
66.94693	0.9
70.16801	0.9
71.01382	5.0
85.02921	2.0
89.02446	3.6
101.02444	3.6
107.05035	0.8
110.63340	0.9
113.02470	1.9
119.03522	1.8
127.07650	100.0
128.07993	1.7
133.02945	6.6
134.03743	1.4
135.04520	26.2
137.02461	1.8
139.87196	0.9
142.35014	0.9
145.08694	1.8
148.05226	1.5
149.06110	5.5
153.05466	1.0
155.83127	0.9
161.02437	27.1
171.06621	98.0
172.06984	2.8
177.05544	11.0
179.03490	34.3
180.03911	1.1
181.02785	1.0
190.28891	0.9
221.04521	16.5
228.39812	1.0
251.05611	11.2
275.34927	0.9
277.14307	1.0
281.06653	23.8
282.07025	1.4
307.13937	1.6
313.08325	1.0
323.07797	1.3
328.97433	0.9
341.08740	12.8
351.12921	23.5
351.16989	1.8
352.13559	1.2
410.37070	1.0
513.16101	49.3
514.16248	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85789	0.8
59.01375	14.6
68.75698	0.9
69.84932	3.9
69.85289	1.5
71.01379	14.8
73.02934	3.0
83.01372	1.5
83.46955	1.1
85.02946	2.7
85.03530	0.8
86.00100	0.9
87.00864	1.7
88.08453	0.8
89.01928	1.4
89.02439	14.4
92.70943	0.9
99.00842	0.8
99.08155	1.6
101.02422	10.2
106.53724	0.8
113.02441	6.3
115.00389	0.9
119.03526	5.6
125.02471	0.8
127.07646	100.0
128.07973	3.1
129.05588	1.9
131.03477	2.5
143.03479	2.1
145.08681	0.9
149.04509	1.1
153.05553	2.3
161.04561	5.1
171.06618	82.7
172.06914	2.5
179.05591	12.2
219.65900	0.9
221.06575	3.5
277.59528	1.0
341.10828	3.1
384.84030	0.9
469.19141	1.1
513.18140	65.7
514.18433	5.4
525.70111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
57.07564	1.1
58.00583	1.8
59.01377	49.4
61.27431	1.2
65.09056	1.0
70.29901	2.4
70.30269	3.6
71.01378	38.6
72.99271	1.4
73.02926	2.3
85.02962	8.0
87.00867	3.7
89.02438	45.1
95.01380	3.6
99.08150	4.3
101.02441	20.8
112.46419	1.1
113.02444	22.8
119.03484	13.1
125.02420	1.2
127.07645	42.8
129.05580	28.7
131.03494	4.4
143.03488	3.0
149.04532	1.4
153.05556	3.4
161.04489	7.5
171.05219	2.1
171.06616	32.1
179.05582	18.5
226.73085	1.1
250.04045	1.2
294.16650	1.2
312.89667	1.2
341.10849	100.0
342.11240	5.3
374.15216	1.2
513.18152	36.4
513.25452	1.9
514.18579	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	513.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	3.9
59.01379	100.0
61.98816	2.3
69.12794	16.7
71.01380	68.0
72.99303	5.6
73.02937	3.7
83.01369	2.8
85.02943	8.9
87.00874	4.7
89.02441	95.6
95.01388	5.3
95.59390	1.6
99.23018	1.9
101.02450	33.2
109.06579	2.9
113.02449	29.5
119.03490	30.4
125.02376	2.3
127.07639	23.3
129.05589	4.1
131.03500	6.4
138.03172	2.7
143.03511	10.6
149.04474	3.7
153.05563	96.6
161.04536	16.0
171.06593	17.3
179.05597	64.9
221.06743	2.4
236.48596	1.9
244.24762	1.8
341.10892	28.9
396.00119	1.8
513.17767	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	513.1917
Annotation	Cochinchinenin
Peak:m/z	Relative Intensity
56.01322	0.5
59.01363	1.2
61.98831	0.6
69.61380	3.4
78.25700	0.5
78.71502	0.5
84.86679	0.9
85.98689	0.6
89.76540	0.6
93.03432	0.7
110.32586	0.5
116.74323	0.5
118.91576	0.5
121.02954	2.1
128.42514	0.6
137.06113	1.0
143.05008	2.0
167.04999	1.9
169.06580	2.3
171.04605	1.0
172.24786	0.5
185.06117	1.1
195.04492	3.7
197.06065	2.2
211.03972	2.2
212.04720	0.8
213.05560	43.7
214.05902	2.0
223.03986	6.7
224.04785	3.0
225.05547	4.9
226.02696	0.6
226.06204	1.0
239.03542	4.1
239.07158	0.8
240.04312	3.8
240.07928	3.4
241.05049	100.0
242.05385	4.5
255.06546	0.9
258.08664	0.5
259.09750	1.6
273.11115	0.5
291.19644	0.8
315.22287	0.5
328.07559	0.7
329.08170	1.2
330.09033	0.8
465.13443	4.3
466.14105	6.0
467.15027	3.7
481.16672	3.9
482.16687	0.6
483.13913	0.8
497.16074	0.8
498.16855	47.3
499.17108	5.3
513.19153	92.6
514.19525	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	513.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41324	0.4
55.44089	0.3
59.01379	17.6
63.98340	0.3
71.01374	1.0
72.50745	0.3
76.86243	0.4
85.02937	0.7
89.02461	0.6
93.91327	0.4
98.19888	0.8
101.02442	1.4
108.02157	1.7
108.67398	0.5
113.02474	2.1
113.03150	0.4
119.03496	1.0
120.91788	0.4
121.02932	0.7
122.03757	0.5
123.04541	0.7
134.06233	0.3
135.04514	0.6
142.48528	0.4
161.04529	0.8
165.12874	4.1
169.04195	0.4
183.04428	0.4
185.06061	0.4
195.04489	1.2
196.05214	1.7
197.06090	0.7
211.03996	1.0
213.05545	0.4
223.03960	0.8
224.04784	5.1
225.05592	2.7
238.06438	0.4
239.07086	0.6
247.20578	1.8
256.67804	0.3
271.09610	0.5
273.18506	0.4
277.08621	0.5
277.18018	0.7
291.19653	28.1
292.20081	2.1
302.05768	0.6
303.06665	1.6
305.21216	0.9
317.08273	1.1
319.09698	0.7
328.07483	2.0
329.08203	2.5
330.08914	1.6
331.06119	3.8
331.09735	0.8
332.06833	10.0
332.10657	0.7
333.07468	0.5
333.20795	1.1
343.09680	1.4
344.10513	1.0
345.07651	1.3
345.11417	1.1
346.08395	6.1
347.09244	13.9
348.09454	1.2
359.09229	1.5
360.10056	1.1
361.10767	11.0
362.11407	3.5
373.10416	0.4
375.12396	1.7
377.13965	5.6
378.14264	0.6
389.13882	0.7
482.13535	0.4
483.14441	1.4
497.16110	5.7
498.16919	4.1
513.19165	100.0
514.19562	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	513.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38274	0.3
98.19857	0.8
101.03908	0.3
121.02898	0.8
122.03735	3.8
123.04486	0.7
136.05270	0.5
137.02431	0.7
137.06079	1.7
143.04959	0.6
151.03999	0.4
189.27957	0.3
195.04492	0.7
196.05247	1.6
211.03920	1.1
223.03973	0.7
224.04749	3.4
225.05524	5.7
229.38293	0.4
239.07016	0.4
273.09140	0.4
275.07007	0.5
277.05301	0.4
289.08582	0.6
299.07166	0.8
300.07666	0.5
301.08679	1.3
302.09305	0.8
303.06677	0.6
317.08231	3.0
318.08920	1.5
327.06531	1.6
328.07248	1.5
329.08154	0.9
330.09067	0.7
332.07123	0.4
333.11334	2.6
342.09042	0.6
343.09653	0.6
344.06824	0.5
345.07629	4.7
346.08499	3.0
347.09036	0.6
360.06323	0.8
361.10797	3.6
375.12457	0.9
376.12878	0.6
408.11874	0.6
449.14020	0.5
450.11023	0.4
454.14264	0.5
455.14856	0.8
464.12573	3.1
465.13287	4.4
466.14133	1.6
479.14984	6.2
480.15585	3.0
481.17007	2.7
482.13364	3.4
483.14447	7.8
484.14667	0.4
495.18036	1.2
496.18726	0.5
497.16006	9.9
498.16788	4.9
513.19147	100.0
514.19531	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	513.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
61.98822	1.6
71.01350	0.8
71.50585	0.7
74.99347	0.6
76.77628	0.7
95.59485	0.6
122.03742	2.9
123.04483	0.8
137.06117	1.7
137.14084	0.6
141.90303	0.6
161.75993	0.6
188.68004	0.6
188.69765	0.6
215.28220	0.6
242.05554	0.6
267.06750	0.8
289.08954	0.7
290.09412	1.5
300.07831	1.6
301.08838	0.8
302.09158	0.7
303.06625	0.7
317.08078	2.2
318.08939	7.7
319.09473	1.5
329.08078	0.8
333.11307	1.7
345.07657	1.6
346.08511	4.4
347.09195	1.8
350.08041	2.3
359.09122	0.7
360.10031	0.9
361.10803	14.8
362.11185	1.5
407.25150	0.7
437.13834	1.6
441.21860	0.6
455.08612	0.5
455.14920	15.2
455.21417	0.8
456.15500	1.7
465.13467	1.5
466.13971	1.3
467.14264	0.7
479.15045	1.9
480.15540	3.2
481.16864	3.1
483.14377	5.3
497.16245	2.8
498.16830	33.6
499.17059	3.0
513.19232	100.0
514.19592	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	513.1916
Annotation	Cochinchinenin
Peak:m/z	Relative Intensity
50.77262	0.5
53.85679	0.5
55.78576	0.5
59.01376	2.2
61.98829	1.5
71.01386	0.7
81.25880	0.5
101.65616	0.5
108.02185	3.7
109.02982	1.3
116.85863	0.5
121.02934	1.6
122.03718	1.4
123.04535	0.9
135.04486	1.1
147.24014	0.6
183.62984	0.5
195.04541	0.8
202.85117	0.6
223.03999	0.6
224.04799	0.9
225.05478	0.7
238.06262	0.5
239.07257	0.9
279.10370	1.0
285.09219	1.3
286.10089	0.7
287.10837	1.1
301.08679	2.3
302.09204	0.9
303.10284	0.7
313.08661	0.8
315.06802	1.0
315.10056	3.0
316.07343	1.2
317.08209	0.8
328.07349	4.4
329.08170	27.0
330.08932	43.3
331.06223	1.2
331.09683	24.5
332.06790	2.3
332.10217	2.2
342.08862	0.9
343.09637	2.9
344.10486	4.0
345.08044	0.8
345.11288	16.5
346.08167	0.8
346.11917	1.0
347.09262	3.4
359.13000	2.1
361.10815	3.9
362.07785	1.6
362.11636	2.6
375.12589	1.0
376.09570	1.4
377.10025	0.8
377.13983	7.1
391.15378	1.5
449.13882	0.8
451.11737	1.0
465.13489	1.2
466.14325	3.3
467.15057	4.5
468.15680	0.6
481.16589	22.6
482.16815	2.9
483.14700	0.7
497.16129	1.1
498.17014	5.6
513.19177	100.0
514.19513	13.7
534.75317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03393	2.2
58.63833	2.3
59.01361	11.2
61.98824	4.2
62.71844	2.5
67.86613	2.6
68.28744	2.4
71.01370	6.8
72.99284	5.4
78.95901	7.6
89.02431	3.9
101.02415	5.1
106.43348	2.6
113.02454	2.8
117.03391	5.0
119.04998	14.2
137.40146	2.5
145.02930	29.6
152.99551	10.4
161.04449	3.2
163.03990	5.3
180.08792	2.5
193.42833	2.5
253.09373	13.3
277.21689	100.0
278.22101	6.6
341.43582	2.5
421.23666	9.1
431.21671	3.3
439.24829	8.1
444.81522	3.2
513.28436	13.6
513.35376	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43329	0.3
54.21871	0.3
55.01870	0.5
59.01377	8.3
71.01390	4.9
71.50539	0.5
73.02946	0.9
77.39371	0.3
83.01376	0.5
85.02953	1.1
87.00848	0.8
89.02443	3.8
95.01360	0.6
101.02442	4.2
113.02450	2.1
119.03512	1.0
125.29645	0.3
133.05133	0.5
143.03505	0.4
157.85884	0.3
161.04550	2.3
165.08147	0.3
176.91624	0.3
179.05576	0.6
192.98808	0.3
233.15480	0.3
233.22659	0.3
235.08179	1.1
245.91393	0.3
253.09274	15.7
254.09755	0.4
275.20248	0.3
277.21707	100.0
278.22055	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
59.01374	5.8
71.01378	4.6
73.02940	0.7
83.01362	0.4
85.02930	1.1
86.66255	0.2
87.00880	0.7
89.02442	3.6
91.03993	0.3
95.01348	0.5
95.95544	0.2
97.02961	0.2
99.43454	0.2
101.02436	3.7
113.02470	1.7
119.03472	1.1
133.05046	0.5
143.03497	0.3
150.22343	0.2
152.99602	0.3
161.04532	1.4
173.65816	0.2
179.05609	0.3
233.22740	0.4
235.08208	1.0
253.09267	14.7
254.09651	0.6
259.20547	0.3
277.21695	100.0
278.22031	6.4
314.21945	0.2
505.48911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98829	9.4
62.97349	2.5
71.50696	3.6
75.60207	2.5
78.95898	2.9
84.29603	2.4
87.70613	2.7
161.47321	2.3
170.05676	2.3
176.94934	3.1
180.22565	2.3
202.02861	2.3
229.55760	2.7
253.09224	2.8
277.21875	16.7
381.68442	2.9
397.31073	4.7
513.32043	9.1
513.36780	2.8
537.68433	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	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.47996	0.8
70.48317	0.4
83.01398	0.4
98.20609	0.3
107.35867	0.3
108.16279	0.3
142.50670	0.3
154.99869	0.9
199.42850	0.3
212.03514	0.4
238.12517	0.4
251.86278	0.4
263.30643	0.3
277.21826	0.5
278.22037	0.6
510.08701	0.4
515.37225	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	514.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07961	0.4
55.74858	0.4
58.02975	4.3
59.01409	0.9
60.33233	0.3
61.98869	1.2
69.94309	0.6
69.94712	1.3
71.02525	0.5
73.04070	1.9
74.02469	18.0
82.06670	0.8
83.82390	0.3
87.05644	3.1
87.09241	0.3
88.04078	0.5
88.98846	0.6
97.04119	1.3
98.02473	2.3
99.74015	0.3
101.07207	0.7
104.81706	0.3
108.08208	0.5
112.02860	1.2
112.76119	0.4
115.05131	3.2
116.03568	0.5
126.09318	1.3
129.10335	10.9
130.08737	2.4
139.08807	0.4
139.12450	0.4
140.07169	2.2
140.10847	0.8
141.10356	0.6
143.11885	10.6
144.12248	0.4
151.08788	1.8
152.07208	1.1
153.05527	1.5
153.10327	3.5
155.11873	2.3
157.13524	1.1
165.10396	0.8
166.08806	0.9
167.11870	0.5
168.11407	10.9
169.09782	3.1
169.12007	0.5
179.11874	2.0
182.13002	0.7
183.11382	5.4
186.12459	6.9
186.13960	0.5
187.10875	4.7
187.12436	0.5
200.13976	2.2
210.12457	30.2
211.10962	0.4
211.12823	1.0
212.14084	0.5
214.15585	17.7
215.15936	0.6
216.44565	0.4
223.10823	0.5
228.13503	15.2
239.15205	0.4
240.13651	0.6
248.75395	0.3
252.20911	0.5
254.14943	0.5
257.16284	0.6
258.14563	2.0
281.16156	0.5
299.17310	1.0
309.22964	0.5
314.08707	0.7
327.24011	9.7
328.24286	0.6
349.22424	0.4
371.23019	1.9
384.26117	1.7
426.27451	0.9
428.25235	0.8
470.26138	100.0
471.26474	10.0
496.27762	0.6
514.16199	0.6
514.28741	14.6
515.29193	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10452	0.1
61.98827	100.0
62.99275	0.1
67.95865	0.1
69.29558	1.0
83.67873	0.1
98.20654	0.2
114.05610	0.2
125.07738	0.1
140.06049	0.1
186.12512	0.1
203.58426	0.1
281.12018	0.1
285.83157	0.1
441.67511	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	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80119	2.1
59.01376	52.6
68.78928	1.9
69.97302	9.9
71.01380	41.3
72.99299	4.8
73.02979	2.4
75.00841	3.3
85.02947	6.8
87.00876	5.3
89.02440	50.8
95.01378	2.7
96.96969	2.2
101.02440	16.0
111.00854	2.5
112.21242	2.1
112.98803	5.0
113.02436	15.5
115.00356	2.5
119.03507	20.3
142.99860	14.7
143.03491	5.9
161.04575	4.9
172.89809	2.7
173.00883	4.5
173.04526	3.6
173.10591	2.3
179.05603	22.8
229.87453	1.9
290.37424	2.3
299.56485	2.0
341.10834	100.0
342.11163	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	515.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54659	0.8
59.01377	1.7
61.98827	100.0
64.49702	0.6
69.13357	5.4
69.13777	1.3
71.01376	1.9
91.70964	0.6
102.72739	0.6
178.15036	0.7
184.06175	2.6
457.87057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	96.7
61.98806	8.4
63.61626	2.5
69.28520	13.6
69.28929	4.9
71.01370	11.9
73.02929	4.1
75.00877	2.6
82.13963	2.1
83.01370	3.2
85.02931	6.8
89.02420	7.2
99.04475	2.7
99.08128	6.6
101.02413	7.5
113.02458	10.4
119.04971	3.3
123.04503	7.5
127.07637	26.1
129.05563	17.1
136.05287	18.9
145.02919	9.8
150.06830	7.1
151.07651	18.6
153.05566	21.1
161.13301	8.9
162.06816	9.0
163.03984	5.4
163.07629	23.9
165.05537	3.6
167.07063	2.5
171.06644	10.0
180.07899	23.7
181.08682	100.0
182.08942	3.9
187.03975	5.0
187.11223	7.4
189.07649	9.8
205.12308	31.9
206.12689	3.5
222.04884	2.2
229.12343	4.1
248.07838	7.0
249.11307	25.5
267.12323	3.5
309.13449	18.8
323.01633	3.0
325.09052	4.3
343.13898	43.7
344.14383	4.7
352.02014	3.7
353.02802	2.9
439.15479	3.3
515.08820	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	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98815	5.4
69.37641	7.3
71.01378	9.8
73.02933	3.4
77.67723	1.2
83.01384	1.9
85.02946	4.3
89.02425	8.2
95.05033	2.0
98.19965	3.1
101.02422	6.0
113.02460	7.0
119.03508	3.7
123.04549	2.9
125.02450	2.0
127.07634	6.7
128.07977	1.7
135.08182	2.4
143.03497	1.6
145.02892	2.0
153.05573	4.2
159.08150	1.5
161.02423	1.8
161.04594	2.0
161.13371	8.9
163.04045	2.3
171.06616	4.4
185.13350	1.6
187.11281	19.1
191.38303	1.1
203.14360	1.8
205.12314	33.7
206.12648	2.0
211.21632	1.4
223.13339	5.3
229.12238	2.4
247.04390	1.4
247.13301	1.5
248.07880	1.6
249.11302	9.1
265.06915	1.8
265.14456	2.0
267.12335	12.5
309.13400	17.2
330.07507	1.3
429.17407	1.5
472.18765	1.5
515.16760	3.7
515.28540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.99341	8.8
61.83558	7.6
61.98803	7.9
68.97408	8.5
70.70681	19.3
71.01384	24.3
72.99278	9.0
75.00874	26.0
76.41013	8.7
82.88237	8.2
85.02952	10.1
99.08175	9.2
101.02390	11.5
127.07658	94.2
171.06657	83.7
181.05028	21.4
187.11317	24.0
205.12357	31.4
233.88876	8.4
309.13306	14.3
390.01633	11.6
424.79001	8.6
431.93442	10.0
515.17700	49.7
515.28253	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	515.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93710	0.3
59.01371	1.3
61.98817	1.0
68.34233	0.3
69.89148	0.3
70.37057	1.2
71.01382	0.8
78.95899	49.6
96.96955	7.1
101.02438	0.5
102.11285	0.3
117.33369	0.4
150.97993	1.6
152.99574	100.0
153.99896	0.9
171.00616	4.5
197.41508	0.4
253.09247	2.0
276.41513	0.3
279.23270	16.9
280.23547	1.0
433.23550	21.7
434.23846	1.6
515.38245	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	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21848	2.4
59.01374	40.6
61.98807	5.4
69.83614	12.4
71.01361	3.1
85.02940	2.8
87.67417	2.2
92.48959	2.3
93.74926	2.3
98.19945	3.4
101.02436	3.2
103.39467	2.5
113.02416	5.4
120.84869	2.1
121.10211	4.1
125.61979	3.0
134.12447	2.5
136.68828	2.3
160.62831	2.3
171.10255	5.9
174.44078	3.0
195.13821	5.8
223.13373	5.5
261.48996	2.5
275.20148	18.2
293.21225	100.0
294.21530	5.6
334.54248	2.3
355.05246	2.5
356.81656	2.4
374.81403	2.9
515.19714	5.2
541.82349	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	515.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60999	1.9
59.01381	100.0
61.98828	13.2
69.56480	5.0
69.56902	6.8
71.01388	4.6
75.00846	2.3
81.31696	1.7
81.76091	2.0
85.02966	2.2
101.02440	4.6
103.19768	1.8
113.02477	4.5
113.25217	1.8
145.47282	2.0
152.25610	1.7
161.04582	1.9
196.94385	2.1
209.99643	1.7
227.06882	1.9
228.84433	2.0
235.17058	10.2
241.63731	1.8
275.20108	12.9
293.21225	55.2
294.21603	2.7
410.62463	1.9
457.42444	2.1
515.12024	3.6
515.32928	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50808	0.1
55.01873	0.3
57.03442	0.2
58.00601	0.3
59.01376	5.5
65.49990	0.1
67.01906	0.1
69.03448	0.1
70.91766	0.2
71.01376	4.0
72.99310	0.2
73.02937	1.1
75.00877	0.3
78.95898	0.2
83.01399	0.4
85.02943	1.0
87.00897	0.5
89.02441	3.2
91.04012	0.1
95.01395	0.4
97.02969	0.2
97.06606	0.1
99.00896	0.2
101.02435	3.6
103.03963	0.1
113.02448	1.9
119.03502	0.9
125.02398	0.1
129.01923	0.1
131.03503	0.1
133.05063	0.3
143.03481	0.3
152.99588	0.5
157.05040	0.2
161.04544	1.4
179.05589	0.6
222.93701	0.1
235.08197	0.9
253.09261	13.4
254.09598	0.5
261.22202	0.2
277.21762	0.1
279.23254	100.0
280.23611	6.5
420.54544	0.1
433.23715	0.2
519.00928	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81141	0.1
55.01883	0.4
57.03439	0.1
58.00593	0.3
59.01377	5.6
71.01380	3.9
71.51099	0.1
72.99303	0.3
73.02943	1.0
78.95899	1.8
83.01392	0.4
85.02946	0.9
85.03309	0.1
87.00890	0.4
89.02440	3.2
91.03999	0.2
95.01368	0.5
96.96957	0.3
97.02943	0.1
99.00874	0.2
101.02441	4.0
103.04023	0.2
105.83471	0.1
113.02442	1.8
117.89529	0.1
119.03504	0.8
125.02438	0.2
131.03459	0.2
133.05077	0.3
143.03490	0.4
152.99579	4.0
157.05057	0.1
161.04567	1.7
171.00600	0.2
179.05594	0.4
235.08250	1.0
253.09271	14.1
254.09596	0.4
261.22202	0.3
279.23260	100.0
280.23605	7.4
281.33945	0.1
433.23624	0.7
456.04791	0.1
515.37616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47154	1.0
59.01371	1.3
61.98826	54.4
78.95899	58.1
84.15194	0.9
96.96953	5.8
101.78116	0.9
104.85445	0.8
136.37637	0.7
150.98042	1.6
152.99579	100.0
163.93626	2.7
168.74039	1.0
171.00691	4.3
237.97324	4.4
277.21652	3.4
278.22021	2.9
279.22476	2.4
284.39334	0.8
355.63156	0.9
389.47391	0.9
431.21985	20.7
516.19904	14.7
517.19733	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	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98830	100.0
68.17403	0.2
69.82122	0.5
69.82524	1.2
85.25769	0.2
112.96348	0.3
182.53102	0.3
200.08292	0.2
273.02997	0.2
273.11304	0.3
292.20020	0.3
313.96378	0.3
349.71423	0.3
516.20636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40765	0.5
59.01377	65.7
60.16649	0.3
61.98812	1.0
63.22596	0.5
69.42989	2.4
69.43410	0.8
75.87276	0.5
90.97143	1.7
108.30824	0.4
115.44638	0.5
118.96632	0.6
132.98238	2.5
156.99994	0.4
157.03569	0.9
174.99239	26.6
191.36476	0.4
201.02541	9.2
202.02693	0.6
217.00284	100.0
218.00589	2.3
244.78482	0.4
245.19498	0.4
260.72354	0.5
278.11850	0.5
352.44632	0.5
359.01425	12.0
360.01575	0.7
374.99191	53.4
375.99512	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	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
58.00584	0.6
59.01379	19.1
59.23138	0.5
61.98811	2.1
66.78368	0.4
69.21004	4.3
71.01383	12.4
72.99311	0.7
73.02946	2.2
79.05539	0.8
81.07082	0.7
83.01387	1.2
85.02955	4.3
85.17786	0.5
87.00874	1.2
89.02441	8.2
93.07091	0.5
95.01379	1.3
95.05038	0.6
97.06575	1.4
99.00875	0.8
99.04517	5.1
101.02452	8.0
107.04991	0.8
109.02924	2.9
111.04523	6.4
113.02452	5.5
113.06081	1.4
115.00343	0.6
119.03504	3.4
119.05022	0.5
125.06091	1.2
136.08977	0.5
143.03423	0.8
150.06877	0.7
153.01924	1.7
159.11815	0.6
161.04543	1.7
161.13356	26.4
162.13716	1.2
166.79283	0.5
169.10187	0.7
171.08112	0.6
185.09700	0.6
187.11275	7.0
197.13850	0.5
205.12325	40.1
206.12653	1.7
231.10275	0.9
249.11308	100.0
250.11638	4.8
266.05920	0.7
291.12354	1.0
292.56012	0.5
307.23038	0.6
319.22867	0.7
355.24878	6.9
411.16882	1.1
450.30011	0.6
517.13611	1.7
517.20825	9.4
517.30133	13.0
518.21246	1.0
518.30627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07236	0.3
57.03445	0.3
59.01379	8.5
59.98515	0.7
61.98830	2.5
69.53827	0.7
69.54247	1.6
71.01377	2.6
73.02946	0.9
77.87294	0.3
78.37787	0.3
79.05511	0.5
81.07096	1.0
83.05011	0.4
85.02958	1.1
87.88727	0.3
88.94447	0.3
88.98798	0.3
89.02434	1.5
92.10597	0.4
93.07097	1.1
94.76611	0.3
95.05037	0.7
98.20705	0.7
99.04516	10.9
101.02450	1.6
105.05918	0.4
107.05035	0.6
111.04480	0.6
113.02401	1.6
119.03487	0.6
123.04505	1.0
125.06048	0.4
127.07658	0.6
149.06120	0.6
150.06854	2.0
151.07626	0.4
153.68924	0.4
156.53180	0.4
159.11748	0.7
161.04565	0.9
161.13354	35.3
162.13721	1.4
163.04036	0.6
187.11278	4.0
205.12321	28.5
206.10754	0.4
206.12657	1.6
229.12442	0.4
231.10272	0.8
237.23479	0.4
249.11304	100.0
250.11623	6.0
269.13718	0.8
291.12402	2.7
308.92340	0.4
367.17215	0.6
411.16528	1.5
517.20789	13.5
517.29828	2.3
518.20819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.07839	0.1
56.52195	0.1
57.03430	0.1
58.00599	0.2
59.01374	5.3
61.36066	0.1
61.98816	0.1
69.91792	0.2
71.01376	4.1
72.99310	0.3
73.02946	0.9
83.01375	0.5
85.02946	1.0
85.03456	0.1
86.54937	0.1
87.00871	0.5
89.02436	3.0
91.04013	0.2
95.01384	0.3
97.02934	0.1
99.00880	0.3
101.02435	4.2
102.02774	0.1
103.04012	0.1
113.02445	1.8
113.81304	0.1
115.04025	0.1
119.03492	0.9
120.35413	0.1
125.02451	0.2
131.03519	0.2
133.05060	0.3
143.03494	0.4
149.04506	0.1
157.05043	0.2
161.04546	1.6
179.05650	0.5
183.55165	0.1
217.20901	0.1
235.08209	0.8
245.18179	0.1
253.09262	12.5
254.09650	0.5
281.24823	100.0
282.25195	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	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27004	0.4
57.74475	0.4
59.01377	4.0
61.98818	1.0
71.01382	3.0
71.50669	0.5
75.97428	0.5
80.99113	0.4
82.30080	0.4
83.04997	0.5
85.02943	1.7
87.60501	0.4
87.74743	0.5
91.04298	0.5
101.02452	1.4
104.05074	1.6
106.06617	100.0
107.06975	2.6
108.08182	4.3
113.02455	3.2
115.00336	0.4
118.06630	4.0
120.08177	1.4
130.06616	3.3
131.03737	1.3
132.04564	0.8
134.06102	1.0
146.06096	2.2
150.05592	81.2
151.05957	2.3
161.06020	0.9
162.05482	0.5
164.07147	22.3
165.07458	0.8
174.05571	2.8
192.06653	14.3
194.04556	31.1
195.04880	1.2
222.07671	1.1
236.05624	12.2
237.05806	0.6
250.07202	1.5
266.06619	0.9
278.06696	2.8
296.07733	8.6
356.09830	69.5
357.10208	3.9
398.10828	2.5
518.26086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.5
60.01706	1.0
61.98827	100.0
63.83420	0.6
68.78003	0.5
71.01378	10.4
73.02943	18.2
83.01379	5.5
85.02953	2.2
87.00872	0.8
89.02444	4.5
95.01372	0.9
98.20766	1.1
99.08144	1.8
101.02434	16.9
113.02438	6.5
116.92880	0.9
119.03506	2.5
123.04552	1.1
125.02425	1.2
127.07665	2.7
129.05579	3.1
131.03529	1.6
143.03542	1.7
149.04520	2.9
153.05574	1.1
155.03520	0.6
161.04535	5.1
171.06712	1.2
176.92570	0.8
183.06624	0.8
189.12788	1.5
206.64555	0.6
306.07697	0.8
388.27960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55330	0.6
59.01375	25.0
61.98825	100.0
62.25668	0.7
65.29810	0.7
69.56193	4.8
71.01376	7.5
73.02937	10.5
74.78220	0.7
83.01390	2.5
85.02965	1.5
89.02436	1.7
95.73966	0.7
97.02940	0.9
101.02431	11.1
113.02439	3.2
119.03474	1.5
125.02463	0.8
131.03532	1.3
143.03510	1.2
149.04597	0.9
161.04575	3.1
203.05710	1.3
206.16167	0.7
207.13956	2.0
215.01563	0.7
220.41104	0.7
221.06747	1.0
275.62469	0.7
279.73477	0.7
324.65314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24816	0.9
55.93199	0.9
59.01376	40.6
60.16822	0.8
61.98828	100.0
71.01375	8.6
73.02950	11.2
83.01379	3.4
83.04366	1.0
85.02942	2.5
85.27104	0.9
87.68810	1.0
89.02437	3.0
90.39131	0.8
101.02438	15.2
113.02460	5.6
119.03471	1.8
128.21834	1.0
131.03484	1.0
137.09702	2.7
143.03499	1.7
148.58899	0.9
149.04552	2.2
161.04524	6.8
306.07736	1.3
375.41345	1.2
480.57425	1.2
525.42578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58853	0.4
57.92854	0.4
59.01369	0.6
61.98818	1.9
69.16140	4.3
78.95901	66.3
83.06650	0.4
83.81683	0.4
96.96962	5.2
97.52358	0.5
101.16449	0.4
119.75101	0.5
122.20345	0.4
122.48122	0.4
149.11917	0.4
150.98016	2.1
152.99576	100.0
153.99910	0.7
171.00609	2.7
248.90051	0.4
277.21655	1.5
282.77661	0.4
356.82126	0.4
431.21973	35.8
432.22455	2.7
465.26495	0.5
518.25269	3.2
519.26672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.7
61.99652	0.4
64.32899	0.4
78.95899	50.0
86.36721	0.4
96.96960	5.7
125.81652	0.4
146.56317	0.4
150.98030	2.3
152.99577	100.0
153.99898	0.8
171.00626	4.0
194.43239	0.4
201.54620	0.4
208.36006	0.4
229.46266	0.5
251.27081	0.4
267.42450	0.4
277.21805	0.6
383.13110	0.5
424.26584	0.4
431.21982	22.0
432.22543	1.7
510.41699	0.4
518.25244	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98826	100.0
67.98055	0.3
69.43536	0.5
69.43941	1.6
70.11198	0.3
89.91621	0.3
98.19865	0.3
103.00007	0.3
105.83280	0.3
122.87744	0.3
138.44122	0.3
141.27577	0.3
165.75266	0.3
184.64705	0.3
287.84424	0.3
306.99976	0.3
364.02954	0.3
523.81104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.5
61.98822	31.1
64.93702	0.9
72.00887	3.9
73.04059	13.2
74.02451	2.0
75.88396	0.8
78.95894	34.7
85.04061	1.3
87.05617	2.1
91.05531	2.4
95.02479	1.6
96.00846	1.1
96.30083	0.8
96.96037	1.1
96.96948	4.4
99.01990	3.1
99.14346	1.0
101.02242	0.9
112.05161	26.7
113.03568	1.8
118.06614	3.9
124.05160	1.4
130.06213	80.8
137.88554	0.9
147.04500	14.0
152.99568	57.3
163.93642	2.2
164.07146	34.7
165.07510	1.1
171.00592	2.6
177.10320	6.9
189.10312	4.6
221.09270	2.9
226.21744	26.0
234.12428	9.1
237.97276	2.9
244.49249	1.1
266.21213	3.3
270.20724	1.6
282.20673	1.3
283.23846	2.7
322.24982	14.5
323.23456	2.8
340.25980	3.9
433.23587	10.3
444.32648	4.9
456.32077	3.2
488.31244	100.0
489.31631	9.6
500.31143	3.7
518.21442	9.6
518.32281	55.4
519.21460	1.4
519.32770	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	519.1142
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01878	1.1
55.51057	0.6
57.03447	1.4
59.01381	16.4
61.98829	16.2
71.01381	11.7
72.99296	0.6
73.02927	3.6
83.01382	2.0
83.15696	0.6
85.02954	5.0
87.00871	0.7
89.02435	3.9
95.01366	1.6
99.00859	2.2
101.02443	8.1
113.02445	5.3
116.92853	1.5
119.03468	1.9
123.04530	0.8
123.70121	0.6
125.02413	1.3
127.07631	1.4
129.05576	1.3
133.88878	0.7
134.03726	2.3
143.03493	1.2
148.05257	0.9
150.22688	0.7
151.00345	3.1
153.05688	0.7
159.02956	1.2
161.04550	6.3
165.05580	1.4
171.04474	1.5
179.05598	1.1
187.04022	0.7
193.04971	3.8
199.04057	4.7
201.01898	2.3
203.03503	0.9
215.03537	3.7
225.01750	1.1
226.02788	1.0
227.03500	4.2
242.02161	12.1
243.02959	43.6
244.03271	2.6
255.02899	1.1
257.04523	11.5
270.01694	13.7
271.02454	46.1
272.02802	2.3
285.04019	26.8
286.04739	7.0
299.01990	8.9
300.02710	4.1
314.04303	45.8
315.05002	9.1
319.17563	7.4
338.61832	0.6
347.16641	0.7
357.06229	1.2
357.26697	0.9
366.53369	0.8
501.30707	2.6
519.11395	100.0
519.32556	4.1
520.11713	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	519.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
61.98835	37.1
64.29481	3.4
69.29052	30.2
71.01381	6.8
75.00860	4.0
78.95899	51.8
87.00876	3.4
96.96028	4.9
96.96938	6.4
99.00889	20.6
104.23119	3.5
109.43467	3.0
111.00853	13.6
117.01915	10.6
124.98820	4.0
127.00375	8.2
129.01912	3.5
135.25810	3.5
152.99586	100.0
153.00819	6.5
153.99939	12.2
159.02986	4.9
171.00644	5.1
221.20074	3.7
254.00758	3.6
262.12399	3.6
277.21689	95.2
278.21820	4.0
289.21658	10.0
331.22971	5.3
360.16907	4.4
361.23816	6.8
395.54175	4.0
405.22583	4.4
434.23880	10.7
519.21454	9.0
519.31116	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	519.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
61.98828	2.0
70.39204	1.0
71.70686	0.3
71.88900	0.3
78.95902	53.0
83.72655	0.2
94.05009	0.2
96.96004	0.3
96.96960	5.6
113.41341	0.3
150.22411	0.2
150.97966	1.7
152.99580	100.0
153.99889	1.5
163.30008	0.2
165.39195	0.3
166.29700	0.2
171.00644	4.3
234.02501	0.3
239.48994	0.3
365.26822	0.5
432.22321	1.0
468.67819	0.3
519.27155	11.7
520.27686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03440	5.0
58.00578	1.7
59.01377	86.9
60.01714	1.0
61.98820	6.0
64.32859	1.0
66.68822	1.2
69.03465	1.2
69.22279	7.0
69.74647	0.9
71.01378	58.9
71.05016	1.5
72.99311	4.3
73.02941	14.0
73.98283	1.0
75.00854	1.8
83.01372	7.9
85.02945	20.5
87.00885	5.3
89.02440	33.6
93.07084	1.1
95.01386	6.2
97.02930	1.9
97.06612	1.6
99.00889	6.7
99.04549	1.0
99.08147	1.1
101.02435	44.6
109.06562	1.0
111.00919	2.3
113.02443	27.5
119.03488	16.8
123.08219	1.2
125.02418	1.8
127.07621	1.5
129.01956	1.9
131.03477	1.7
139.11230	1.0
143.03468	3.7
147.04535	1.0
157.12321	1.8
159.02942	2.6
161.04573	8.0
167.10730	1.2
168.58330	1.1
171.13959	1.2
173.72997	1.0
179.05585	3.9
187.13438	1.5
199.13387	1.3
201.14896	1.2
209.11746	1.4
226.06279	2.9
227.16476	2.7
229.18100	2.7
241.08653	3.0
249.11327	1.1
250.11653	1.4
251.12958	1.3
281.20996	1.3
321.24365	1.7
339.25317	3.2
357.22125	2.1
357.26440	37.7
358.26837	2.8
389.21829	6.7
390.22424	1.1
391.23215	2.3
399.23978	1.1
422.21402	1.3
441.28745	1.5
501.31039	1.1
519.31726	100.0
520.32068	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	519.3167
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01859	2.8
57.03430	3.6
58.00564	1.0
59.01378	62.5
59.59435	0.8
61.98830	4.0
70.08979	3.8
71.01379	44.2
71.05032	1.2
72.96350	0.8
72.99294	2.2
73.02946	11.0
83.01379	5.6
83.05034	1.8
85.02947	17.6
87.00867	4.2
89.02442	20.7
93.07090	1.9
95.01368	3.8
96.96003	1.2
97.02987	1.1
97.06613	1.4
98.20569	1.3
99.00882	5.5
99.08160	1.5
101.02439	33.2
109.06585	2.9
111.00868	3.2
111.08144	1.1
113.02443	18.8
115.00329	1.0
116.92833	1.7
119.03499	8.5
127.07651	1.2
129.05553	1.3
137.09735	1.8
143.03517	2.0
147.04443	1.3
159.02972	1.9
161.04543	7.3
161.05818	1.2
174.08748	1.0
175.02539	1.1
179.05630	2.4
185.15486	0.9
201.14995	1.4
209.11905	4.6
227.16496	2.8
229.18037	2.9
251.12907	1.6
255.32428	1.0
262.12875	0.9
278.25928	0.8
321.24283	1.6
339.25223	1.4
343.70422	0.8
357.26434	15.1
358.26825	1.0
362.19299	1.9
389.21805	11.9
390.22461	3.7
391.23312	4.6
394.18475	1.0
399.24042	1.3
405.25021	1.1
417.24820	1.4
422.21552	4.9
441.28564	2.8
459.29657	1.8
471.29108	1.3
477.30676	1.2
483.30182	1.0
489.30484	1.3
501.30789	2.9
519.31732	100.0
520.32104	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	520.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.8
59.01114	2.1
59.01377	31.6
61.98827	86.7
62.15202	1.5
71.01369	5.8
71.27452	2.1
71.27787	1.9
73.02943	2.2
74.99164	1.5
87.20655	1.6
89.02419	5.7
99.08176	7.7
101.02438	3.6
106.42289	1.5
107.30032	1.7
113.02454	2.7
127.07645	95.3
129.05582	11.7
153.05573	8.5
161.04552	1.7
167.25478	1.6
171.06607	55.4
176.84731	1.8
234.84183	1.5
252.08365	1.7
351.12924	100.0
352.13177	4.3
477.19458	3.9
533.71124	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	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	2.1
59.01378	48.1
61.98830	100.0
65.94238	0.7
68.01826	0.7
69.48540	4.5
69.48943	1.4
71.01374	5.3
72.28732	0.7
73.02934	4.8
73.67241	0.8
74.34013	0.7
76.35753	0.7
83.01366	1.0
85.02948	2.9
89.02433	1.9
101.02444	5.3
113.02421	2.8
119.03482	1.3
161.04459	2.7
178.88896	1.0
196.02887	0.9
327.31204	0.8
353.19568	2.5
355.54279	0.8
371.20657	3.1
413.21930	4.7
480.47952	1.0
521.33197	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	520.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08130	2.1
52.84237	2.2
55.59223	2.4
58.02972	3.5
59.01383	17.3
61.98827	72.6
71.01372	7.2
73.02924	4.3
73.04053	7.3
89.02486	3.6
95.01413	2.4
97.04119	2.6
98.02470	6.5
101.02431	3.3
113.02410	2.8
115.05124	29.4
119.03481	2.6
129.10345	4.7
130.08733	65.1
137.41379	2.3
155.11964	2.7
157.13457	24.6
168.11360	4.3
183.11392	3.3
197.08144	2.6
201.12418	10.7
210.12427	4.5
229.43298	2.9
242.02368	2.7
270.21811	19.5
327.23990	8.9
413.24023	100.0
414.24329	8.4
457.26636	70.3
458.26910	7.2
521.33704	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	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59820	0.3
62.96410	0.5
66.29066	0.3
69.18908	0.3
69.19180	0.8
69.19579	2.0
78.95900	48.2
84.62199	0.4
84.90762	0.4
96.96951	6.2
96.97533	0.6
98.19925	0.7
138.41394	0.3
150.98018	2.0
152.99577	100.0
153.99962	1.1
171.00650	6.0
180.87524	0.4
279.23358	0.9
346.60889	0.3
433.23553	21.7
434.23990	1.4
520.26758	3.8
521.26978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33827	0.4
61.98825	0.8
69.91647	1.8
73.18329	0.4
78.95900	67.0
96.96958	6.8
150.98032	1.4
152.99576	100.0
153.99924	1.2
171.00638	2.7
176.97697	0.4
188.44168	0.5
216.59381	0.5
279.23267	1.9
290.94409	0.4
358.22784	0.5
407.68228	0.4
433.23575	42.5
434.23868	2.7
520.26642	4.1
521.15692	0.5
521.27130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01374	25.0
59.93044	1.1
61.98829	17.5
63.36727	1.1
66.29062	1.0
69.35549	5.6
69.35965	3.1
71.01380	15.5
72.97508	1.9
72.99296	2.2
73.02943	5.0
75.00878	1.7
77.74141	1.1
83.01379	2.5
85.02946	6.4
87.00862	3.2
89.02436	7.2
96.96014	2.1
98.14697	1.1
99.00814	1.3
101.02436	8.9
113.02430	6.9
115.00373	1.7
115.92048	1.8
116.92844	3.1
119.03499	3.3
119.05013	4.2
121.02957	2.1
127.07658	2.2
129.05573	3.3
129.71043	1.2
133.01431	3.6
138.76152	1.2
141.91931	1.0
147.04437	1.3
153.05602	1.8
159.02907	1.4
161.04510	3.0
163.04008	2.7
195.04477	1.6
197.06107	1.7
209.00171	1.3
217.49095	1.0
223.03967	2.4
224.04694	8.3
225.05554	12.8
226.06181	1.5
229.03250	28.3
230.03633	2.4
238.06310	7.7
239.07123	4.8
240.05443	1.3
240.07890	28.9
241.08531	4.5
257.02786	17.2
258.03510	12.5
271.04370	8.9
272.05090	58.0
273.05856	68.1
274.06244	3.2
287.07422	14.4
298.02954	1.6
300.02924	2.6
306.17618	1.1
313.05292	1.4
315.07034	26.7
316.07303	2.3
319.17862	1.8
359.06015	5.5
359.27985	3.0
361.16614	2.0
435.11148	100.0
436.11469	9.3
521.10559	15.3
521.34070	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65436	1.7
55.01865	2.8
57.03436	4.4
59.01379	47.9
61.98828	5.3
69.03465	2.8
71.01383	38.7
71.50877	3.3
72.99314	4.8
73.02960	9.9
83.01402	5.5
85.02951	15.4
85.06639	2.1
87.00900	3.4
89.02431	12.5
95.01404	4.2
99.00869	3.6
99.08183	1.8
101.02447	22.8
111.00905	2.2
113.02464	12.0
119.03510	7.2
121.02967	42.9
122.03732	8.5
124.01640	2.0
125.02413	2.4
136.05315	2.6
137.02438	2.1
137.06123	3.6
149.02425	3.7
151.04012	9.8
153.01884	2.0
159.03006	2.3
161.04578	4.2
258.08984	19.2
262.75870	2.0
273.11322	100.0
274.11630	7.3
359.28021	16.1
503.32498	2.0
520.32086	6.3
521.33264	98.5
522.33807	5.4
549.97864	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	521.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52237	1.5
52.46938	1.3
59.01377	11.8
65.23179	1.6
71.01389	8.1
71.48766	2.6
73.02946	2.4
75.00871	7.0
81.03460	2.2
83.01380	2.8
85.02924	11.4
89.02449	11.6
97.02939	4.7
97.97289	1.6
105.01942	2.5
131.03516	7.0
143.03453	2.8
161.04546	22.6
179.05605	100.0
180.05969	1.9
202.90036	1.7
526.70367	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	521.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.7
59.01377	46.5
59.95375	1.6
60.01708	2.4
61.98829	49.3
69.52847	8.1
69.53260	3.1
71.01366	3.8
73.02950	2.2
73.54768	1.6
79.68477	1.9
99.08150	50.2
101.02421	4.9
114.32347	1.8
123.22973	2.0
127.07645	94.1
128.07979	11.7
129.05573	100.0
130.05797	1.9
153.05568	38.2
161.04440	1.8
171.06630	29.3
172.06964	6.4
305.12387	7.1
332.42883	1.7
351.12820	11.7
352.13174	22.8
367.35345	1.7
435.18713	6.0
459.18488	3.6
477.19653	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03437	2.9
58.00583	2.2
59.01078	1.3
59.01379	42.8
61.98829	2.4
69.40977	4.9
71.01381	45.1
71.05012	1.3
72.99306	2.0
73.02946	7.1
75.28951	0.9
77.32478	0.8
83.01379	4.6
85.02951	15.1
86.00084	0.8
87.00867	2.1
89.02446	20.8
95.01366	3.5
97.02964	1.2
99.00857	2.4
101.02434	26.5
106.09364	0.7
111.00883	2.2
113.02444	16.2
119.03491	8.8
121.10253	2.1
129.01941	0.8
143.03464	2.3
144.38141	0.8
157.12329	5.0
159.02957	2.8
161.04559	7.8
179.05585	1.5
201.15001	1.0
248.92520	1.0
319.17493	2.3
345.19189	2.2
359.27988	15.3
360.28299	1.2
470.93918	0.8
491.32532	1.2
521.33295	100.0
522.33478	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	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32558	0.4
55.01871	1.6
57.03442	1.7
59.01376	100.0
60.01712	1.2
61.56204	0.4
61.98829	3.3
69.92868	2.0
71.01376	22.6
71.05013	0.7
72.99301	1.5
73.02943	8.1
83.01382	3.7
85.02946	10.6
86.00112	0.9
87.00882	1.7
89.02450	4.7
93.03474	1.1
95.01357	2.6
97.02959	1.2
97.51195	0.5
99.00871	2.8
99.19631	0.5
101.02437	16.5
102.83981	0.5
111.00895	1.8
112.01663	0.8
113.02447	10.4
115.57383	0.5
119.03503	1.9
119.04993	1.2
124.01676	0.7
125.02444	2.0
133.01463	0.7
133.02934	0.5
143.03464	2.7
146.60866	0.5
147.04546	0.6
159.02966	1.2
161.04550	5.8
163.03999	1.2
185.15459	2.9
213.18436	0.8
237.15219	0.5
276.70758	0.5
315.25403	1.5
317.26917	6.1
341.26950	0.6
359.27997	1.5
377.21674	0.8
413.29135	0.8
461.31177	45.8
462.31598	3.9
479.32166	22.5
480.32480	2.1
503.31903	0.6
521.33270	62.4
522.33643	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	522.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.18558	0.6
61.98829	2.1
69.37230	2.7
69.37653	2.0
71.01353	1.4
75.08293	0.5
85.01579	0.7
85.02958	0.6
98.20683	1.0
101.02450	0.8
113.02464	0.8
121.30006	0.6
127.40735	0.5
153.05580	0.6
172.76114	0.6
176.26881	0.7
197.06094	3.0
224.04779	2.3
225.05544	20.4
226.05962	1.4
229.03267	2.3
239.06879	0.8
240.07893	11.0
242.22574	0.6
257.02783	2.4
258.03522	60.5
259.03998	2.8
272.05191	3.3
273.05884	100.0
274.06210	5.3
360.09094	1.5
427.43619	0.6
435.11118	88.3
436.11438	7.5
465.98587	0.6
522.14288	7.2
523.14691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.18558	0.6
61.98829	2.1
69.37230	2.7
69.37653	2.0
71.01353	1.4
75.08293	0.5
85.01579	0.7
85.02958	0.6
98.20683	1.0
101.02450	0.8
113.02464	0.8
121.30006	0.6
127.40735	0.5
153.05580	0.6
172.76114	0.6
176.26881	0.7
197.06094	3.0
224.04779	2.3
225.05544	20.4
226.05962	1.4
229.03267	2.3
239.06879	0.8
240.07893	11.0
242.22574	0.6
257.02783	2.4
258.03522	60.5
259.03998	2.8
272.05191	3.3
273.05884	100.0
274.06210	5.3
360.09094	1.5
427.43619	0.6
435.11118	88.3
436.11438	7.5
465.98587	0.6
522.14288	7.2
523.14691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.15746	0.5
61.98829	100.0
71.01368	1.9
74.09933	0.6
75.17390	0.5
82.91734	0.5
83.01394	0.7
85.02984	0.7
89.02403	0.6
98.20785	1.2
101.02464	0.9
113.02519	0.7
127.07668	1.9
135.04497	0.6
147.04549	0.9
151.00325	0.8
161.13362	0.9
164.96445	0.6
165.05574	1.1
171.06680	1.6
181.24883	0.6
193.27498	0.5
203.72137	0.5
205.12328	5.1
240.29704	0.7
309.13525	1.2
327.06650	0.8
370.78552	0.7
521.33557	2.6
522.33765	6.0
523.14313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.15746	0.5
61.98829	100.0
71.01368	1.9
74.09933	0.6
75.17390	0.5
82.91734	0.5
83.01394	0.7
85.02984	0.7
89.02403	0.6
98.20785	1.2
101.02464	0.9
113.02519	0.7
127.07668	1.9
135.04497	0.6
147.04549	0.9
151.00325	0.8
161.13362	0.9
164.96445	0.6
165.05574	1.1
171.06680	1.6
181.24883	0.6
193.27498	0.5
203.72137	0.5
205.12328	5.1
240.29704	0.7
309.13525	1.2
327.06650	0.8
370.78552	0.7
521.33557	2.6
522.33765	6.0
523.14313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14499	0.4
52.54195	0.3
53.86082	0.3
59.01374	4.8
61.98828	100.0
67.01840	0.3
68.14197	0.4
69.55655	1.0
69.56063	1.1
71.01378	1.6
84.48804	0.3
85.02950	0.7
86.68195	0.4
89.02473	0.6
101.02438	1.0
140.83878	0.3
398.17694	0.4
462.31824	0.6
489.73438	0.4
521.33569	0.5
522.33368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35396	0.6
59.01107	0.9
59.01382	7.7
61.98831	100.0
65.37029	0.5
69.96538	2.4
71.01383	2.1
73.02971	0.6
85.02976	1.0
86.55717	0.6
87.00929	0.8
89.02457	1.0
98.19936	0.7
101.02470	1.4
108.01353	0.5
111.00905	2.0
113.02483	1.1
121.62328	0.6
129.05579	0.8
149.65630	0.6
179.03537	0.7
237.45097	0.7
307.48151	0.6
513.32410	0.7
521.33472	1.3
522.18823	1.0
522.33453	3.2
530.10620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38274	0.4
59.58873	0.4
61.98822	0.5
62.31480	0.4
68.50487	0.4
71.51111	0.4
78.95903	46.9
88.98811	3.0
96.96957	6.1
101.31783	0.4
137.25685	0.4
150.98013	2.4
152.99577	100.0
153.99924	0.7
171.00612	7.5
185.71188	0.5
187.83763	0.4
281.24838	1.3
377.49448	0.5
433.23611	1.9
435.25131	20.5
436.25479	1.8
522.28320	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	523.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02539	2.0
52.15938	1.9
55.36588	2.0
59.01374	27.3
61.98835	14.0
62.58533	1.9
71.01367	14.6
71.50467	2.8
72.97505	2.8
73.02971	3.3
74.72512	2.1
75.00858	5.6
83.54665	1.9
85.02940	3.6
87.00899	5.1
89.02427	9.0
101.02427	12.4
113.02415	2.8
115.00357	2.6
117.03436	5.2
119.05023	60.7
121.02927	6.6
122.06125	2.5
123.04533	2.1
130.03972	2.0
132.05756	3.3
133.06586	14.9
145.02937	27.6
161.06073	54.7
162.06409	2.2
163.03996	94.6
164.04295	3.4
165.05569	3.8
175.02477	5.8
179.05568	2.9
187.03903	2.6
205.05048	100.0
206.05263	4.5
235.06128	24.4
265.07153	50.5
266.07330	3.4
268.07291	2.7
268.52112	2.0
325.09207	49.5
326.09592	3.4
367.10266	30.6
381.12848	3.0
397.11588	2.8
427.12476	25.9
523.12030	4.6
523.23376	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1394
Annotation	Calodenone
Peak:m/z	Relative Intensity
59.01375	1.1
61.98820	0.9
71.50425	0.9
86.90932	0.5
116.58376	0.5
117.03476	0.9
127.07629	1.8
129.05566	1.3
133.02950	13.0
134.03766	2.9
135.04527	7.6
135.88377	0.5
137.02438	1.5
148.05347	0.7
161.02441	60.3
162.02792	0.9
171.06601	1.4
179.03511	3.2
189.07631	1.0
211.04037	1.6
213.13928	0.6
224.01114	1.7
235.06058	0.5
239.03471	1.2
252.00659	3.1
253.01364	0.8
287.22345	4.7
295.22742	1.2
350.09286	0.8
363.25400	4.1
377.08313	0.7
378.08823	1.2
389.08224	0.7
393.11685	0.8
404.06323	0.6
405.07413	3.6
406.08270	2.4
407.08899	0.7
410.07260	0.6
419.09296	1.1
420.09891	0.8
421.07053	2.2
421.11627	1.0
422.07721	2.0
431.05722	2.4
431.24365	22.5
432.05969	0.8
432.24408	1.4
433.07071	5.5
434.07761	2.9
435.08356	1.3
436.09570	1.1
437.10202	1.4
447.08493	3.3
448.09497	6.8
449.10226	1.5
449.25455	7.6
450.07004	2.5
460.05756	1.5
464.08868	0.6
465.09726	9.9
466.09808	0.9
475.08160	3.7
476.08850	3.4
477.09708	5.1
478.05875	3.5
478.11960	0.6
479.11557	1.2
480.11890	1.6
489.09805	2.2
490.10403	0.9
491.11362	19.6
492.11646	2.3
493.08545	11.5
494.09189	1.1
505.12872	0.9
507.10867	6.7
508.11407	12.1
509.11874	0.9
513.78943	0.6
523.13904	100.0
523.29059	44.6
524.14307	10.9
524.29517	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
59.01380	4.0
61.98808	0.5
69.18290	1.1
69.18714	1.8
69.84107	0.3
71.01377	3.0
73.02947	3.7
83.01350	1.0
98.20652	0.8
99.08126	0.8
101.02434	1.7
113.02362	0.3
115.05505	0.8
122.75377	0.4
125.02467	0.4
127.07645	100.0
128.08000	1.9
131.05011	1.3
133.02914	0.3
133.06587	1.0
135.04503	0.4
145.08708	1.2
147.04507	8.1
155.03470	0.3
161.02414	1.5
161.06052	4.9
171.06615	90.8
172.06975	2.2
189.05611	1.7
189.07283	0.3
198.18150	0.3
201.05542	0.4
229.10378	0.3
237.12106	0.3
259.10544	0.3
268.04199	0.4
287.22385	0.4
331.14200	0.9
431.24515	0.5
449.25562	0.4
479.19482	1.0
523.18683	16.5
523.28308	1.5
524.18835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58056	0.6
55.64779	0.5
59.01377	2.8
69.23386	5.4
71.01385	2.1
73.02945	3.5
83.01391	1.0
99.08153	1.1
101.02448	1.6
115.05486	0.7
126.95258	0.5
127.07648	100.0
128.07983	3.0
131.05046	0.8
133.06584	1.1
145.08646	0.9
147.04524	8.5
151.65529	0.5
153.05566	0.6
155.89330	0.6
161.06084	4.8
171.06619	82.8
172.07013	3.3
184.21931	0.5
189.05560	1.9
215.60251	0.5
289.35486	0.6
479.19244	1.2
523.18182	20.4
524.18317	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	523.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03212	1.2
57.03446	17.1
59.01376	17.5
61.98815	2.0
67.35612	0.8
69.23779	0.8
71.01380	15.9
71.05006	1.6
71.50415	0.9
72.99290	2.3
73.02928	5.0
74.02473	1.0
75.00855	1.5
83.01389	2.6
83.05016	2.2
85.02943	6.8
87.00869	2.2
87.27299	1.0
89.02435	2.2
95.01357	1.6
99.00871	2.0
99.08155	72.6
100.08447	0.9
101.02450	11.1
101.06068	5.8
105.01929	22.9
109.06570	1.2
113.02462	7.9
127.07647	100.0
128.07944	3.2
129.05571	29.9
138.03189	1.5
147.02989	8.9
153.05569	69.1
154.05927	1.6
159.02979	1.1
161.03275	1.0
161.04546	12.0
171.05217	1.4
171.06621	22.7
171.36227	0.9
177.04482	0.9
202.96326	0.9
209.11714	2.2
225.78123	1.0
263.11316	27.8
272.05017	1.1
273.05884	1.3
314.77921	1.0
345.03992	1.8
359.05292	2.4
360.06403	1.8
361.18582	2.3
417.17792	1.5
435.18671	43.3
436.11429	4.7
436.18628	2.0
483.77194	1.0
523.12756	2.6
523.20178	30.4
524.20203	1.5
547.38007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45277	0.4
52.41042	0.4
57.03434	0.8
58.00587	0.8
59.01377	23.0
61.98832	0.9
62.16431	0.5
69.23804	0.7
69.24217	3.0
71.01380	15.3
72.99307	0.9
73.02925	2.2
79.64118	0.4
83.01402	0.5
85.02920	2.0
87.00896	1.1
89.02438	20.3
95.01411	0.8
99.08153	3.0
101.02440	8.7
101.49879	0.4
111.00866	1.7
113.02439	6.9
119.03486	9.6
127.07646	100.0
128.07953	2.1
129.05573	12.6
131.03491	1.2
134.03795	0.5
143.03499	1.9
145.08673	0.7
149.04529	1.0
153.05565	5.1
161.04550	2.9
167.29839	0.5
171.06616	80.1
172.07028	2.0
179.05592	18.4
189.07655	2.1
291.10886	2.9
307.14035	1.5
340.96997	0.4
351.12924	45.5
352.13214	2.0
355.91714	0.4
393.13889	0.8
411.07413	0.4
453.62991	0.5
522.33295	0.6
523.20264	53.1
524.20612	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	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.8
59.01377	12.3
61.98804	1.1
71.01380	14.0
71.50625	1.4
71.50977	1.3
72.99305	0.9
73.02951	3.2
83.01357	1.5
83.05017	1.1
85.02952	4.9
89.02441	3.1
94.12240	0.9
95.01353	1.1
99.00860	1.9
99.08153	44.4
101.02423	8.8
101.06075	4.0
105.01929	2.0
113.02438	5.7
113.03088	0.9
119.03461	1.1
123.04470	1.3
127.07649	63.6
128.07968	1.9
129.05574	96.2
130.05899	2.7
138.03197	1.8
144.71274	1.0
153.05559	39.7
159.02924	2.1
161.04565	7.4
167.03499	3.7
171.06627	14.0
179.05609	1.8
263.11298	15.6
266.02298	0.9
267.66776	1.0
317.81274	0.9
318.04489	1.2
417.17545	6.1
435.18671	100.0
436.19150	6.3
469.84622	1.0
523.20593	9.0
523.27734	1.8
525.09723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	1.6
58.00590	1.0
58.69968	0.6
59.01377	33.5
61.98830	6.2
62.65709	0.6
63.73409	0.6
68.35405	0.6
69.43141	4.1
71.01378	22.8
71.96962	0.5
72.99303	0.8
73.02941	3.5
83.01393	1.9
85.02953	5.0
87.00871	2.2
89.02441	25.5
90.02820	0.5
95.01373	1.4
99.00885	1.1
99.08160	2.3
101.02442	14.9
111.00903	0.8
113.02447	9.5
116.92868	0.7
119.03494	9.9
127.07648	100.0
128.07997	3.1
129.05577	14.6
131.03522	1.6
142.16637	0.5
143.03485	2.6
149.04546	1.5
153.05554	4.8
161.04541	3.7
163.04109	0.6
171.06619	78.2
172.06976	2.1
179.05603	14.8
189.07681	2.3
291.10928	1.7
307.14145	1.0
324.81503	0.5
333.07700	1.2
335.85046	0.7
345.17209	0.7
351.12939	39.5
352.13330	2.1
361.29358	3.4
377.66092	0.6
393.13895	0.7
522.33734	1.6
523.20300	48.9
523.34521	20.9
524.20496	4.6
524.35138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03443	3.6
58.00584	1.3
59.01375	39.4
60.01707	0.6
61.98827	3.4
69.47154	1.1
69.47565	2.1
71.01378	42.1
71.05005	0.5
72.99287	2.1
73.02941	6.8
75.00863	0.8
83.01374	3.5
84.02148	0.6
85.02947	15.7
87.00852	2.1
89.02438	18.8
95.01375	3.6
98.20616	0.7
99.00857	3.3
101.02437	23.2
111.00871	2.6
113.02441	15.5
119.03490	8.0
131.03462	0.8
141.09216	0.6
143.03508	1.9
157.12289	1.6
159.02956	1.8
161.02464	0.5
161.04549	6.6
171.13878	0.5
179.03528	0.7
179.05591	2.0
187.13347	0.7
201.14908	0.7
299.09277	0.8
313.10825	1.3
359.28061	0.6
359.41412	0.5
361.29541	18.3
362.29785	0.9
461.14618	1.2
523.34821	100.0
524.28223	0.9
524.35193	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	524.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
51.43884	0.6
52.94544	0.5
55.01887	1.0
57.03448	0.9
59.01376	14.5
61.98827	100.0
63.33807	0.5
71.01380	10.1
71.01778	0.6
72.01738	0.7
73.02936	1.5
83.01389	1.1
85.02942	3.6
87.00874	0.9
89.02435	6.3
95.01385	0.9
99.00866	1.0
101.02448	7.9
110.82974	0.5
111.00893	1.2
113.02432	2.9
119.03495	2.4
127.07616	5.1
128.08018	1.6
134.03778	1.4
140.79552	0.5
161.04605	1.9
162.05728	0.7
171.06610	2.7
172.06924	1.2
176.04987	0.6
188.07251	0.6
193.05052	3.5
296.12244	0.6
327.21912	1.8
346.92755	0.6
351.12933	3.1
352.13165	3.6
361.29547	5.1
362.29974	1.3
523.34796	20.4
524.35168	10.4
525.15082	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	524.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41637	0.9
57.03435	2.6
59.01377	26.6
60.01718	1.1
61.98829	15.3
71.01380	25.2
71.50556	1.0
72.01720	1.4
72.99315	2.2
73.02947	5.5
83.01379	2.4
85.02947	11.3
87.00871	1.7
88.42812	0.8
88.98821	1.0
89.02442	12.9
94.06612	3.0
95.01395	2.4
99.00877	2.9
101.02444	14.3
102.02783	1.2
106.06586	1.6
107.03753	3.6
111.00893	1.4
113.02446	8.1
114.02799	1.3
119.03497	5.9
119.04995	0.9
122.05230	1.3
122.06122	26.2
122.78266	0.8
124.07665	2.7
127.07610	1.6
132.04533	3.8
134.06129	7.2
135.04495	0.9
139.02823	1.3
143.03485	1.2
147.62131	0.9
150.05655	0.8
152.07170	42.5
153.05557	0.9
153.07475	1.3
156.77197	0.8
158.00224	0.9
158.02394	1.0
159.02975	1.5
160.04047	1.8
161.04559	4.1
163.04033	2.8
163.90495	0.8
175.02444	1.1
176.03548	1.5
179.03467	1.1
179.05566	1.2
184.14528	0.9
189.07674	0.8
190.05064	4.9
215.11838	2.0
223.08731	2.5
224.09567	2.2
227.08278	1.1
239.11882	8.6
240.10345	1.5
241.09814	1.4
251.11864	2.0
253.06226	2.9
253.09814	1.2
255.07684	0.9
255.11377	2.5
256.08209	0.9
267.07706	2.6
267.11365	1.5
268.08511	1.1
279.07776	1.4
280.08484	2.6
281.09222	1.9
283.10889	26.0
284.11307	1.7
295.10910	8.6
299.09436	2.5
309.09152	1.5
309.12503	1.3
315.13507	2.8
327.13385	1.5
341.11563	1.8
355.12820	1.0
361.29495	10.2
362.29984	5.9
402.18420	1.1
402.40137	0.9
420.19101	2.7
448.18814	8.4
461.14224	1.0
464.08612	0.9
464.17920	1.3
474.16760	1.2
480.21533	1.2
492.17795	14.2
493.18283	1.1
496.20941	2.0
506.19217	2.0
523.34814	25.1
524.20386	100.0
524.34985	29.3
525.20618	7.2
525.28394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
67.01891	87.3
68.99811	2.1
71.48716	2.7
80.46969	1.2
80.87853	1.2
82.08857	1.3
85.02953	1.4
95.01363	3.1
111.00864	1.4
139.00374	100.0
140.00676	1.8
182.99344	59.9
183.99832	1.5
215.58566	1.4
352.32205	1.5
533.79333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1762
Annotation	Physalin J
Peak:m/z	Relative Intensity
59.01374	3.3
61.98826	4.1
93.03455	16.7
98.19854	1.2
105.01926	1.0
120.14542	0.6
145.02953	1.6
185.66219	0.6
195.04517	0.6
197.06119	1.6
199.03989	1.4
212.04776	1.2
213.05426	1.1
225.05580	4.3
227.03476	0.8
238.06277	0.9
239.07043	1.2
240.04301	4.4
240.07803	1.0
241.04950	3.5
252.04321	1.3
253.05032	12.4
254.05731	2.1
255.06541	1.6
256.07471	1.0
257.08105	2.0
266.05811	1.0
267.06592	10.1
268.07315	2.9
269.08063	1.6
291.10303	1.4
318.08957	2.7
319.09650	8.4
331.15485	1.2
332.06931	11.9
333.07034	0.9
346.08374	3.6
347.09201	53.6
348.09610	4.9
361.10782	12.6
362.11548	100.0
363.11963	9.8
405.13519	1.6
431.13321	5.7
484.23911	0.8
525.17633	93.8
526.17950	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	525.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72461	0.4
54.80453	0.5
59.01375	2.3
61.98814	2.0
69.24149	0.8
69.24554	3.4
71.01379	0.8
72.39712	0.4
93.03462	2.8
96.34778	0.5
101.02452	0.5
106.11629	0.4
119.04994	0.6
125.78881	0.4
136.04031	1.1
197.06013	1.3
201.05446	0.5
209.06076	1.0
211.04001	1.0
212.04768	1.6
213.05531	0.9
223.86313	0.5
225.05432	0.9
239.03436	1.3
240.04247	4.9
241.05020	1.4
253.05037	7.6
254.05650	0.6
255.06541	1.3
257.00241	0.5
301.08670	0.9
303.06845	0.7
303.10272	1.5
304.07162	0.5
317.08020	0.7
318.08975	3.3
319.09695	7.7
331.06116	2.7
332.06827	8.4
333.07260	1.6
345.07571	1.0
346.08377	7.7
347.09183	76.4
348.09671	7.9
361.10791	12.7
361.15088	1.0
362.11542	100.0
363.12100	13.8
364.12582	0.7
375.12259	0.8
405.13284	2.0
417.13120	0.8
524.34827	0.7
525.17603	76.8
526.17975	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	525.1913
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
58.88447	0.3
69.22982	1.1
69.23405	2.0
84.95087	0.4
85.66541	0.5
86.54552	0.3
153.84476	0.3
167.05002	0.7
169.06564	7.6
171.04501	2.7
183.04451	0.5
185.06049	4.8
195.04442	0.5
197.06046	0.9
199.03954	1.1
210.06831	0.5
211.04053	2.2
211.07535	0.6
212.04668	0.5
213.05548	32.9
214.05910	1.5
223.03983	1.8
224.04825	1.9
225.05588	0.6
226.06194	0.3
238.06224	1.0
239.03482	5.5
239.07104	4.9
240.04283	3.2
241.05028	75.5
242.05382	3.3
242.71335	0.3
253.08633	1.7
255.06604	2.6
256.07364	9.2
271.09723	1.3
272.59610	0.4
298.38034	0.4
393.11334	0.8
395.13956	0.3
421.10992	0.4
436.13269	0.8
464.12515	2.1
467.14752	0.7
479.14996	6.6
480.15137	0.9
493.16739	0.7
494.13739	0.5
495.14346	3.4
509.15997	2.4
510.16797	14.8
511.17215	2.1
525.19135	100.0
526.19446	11.6
553.75269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1918
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
53.17091	0.4
59.01325	0.5
61.98813	0.7
63.78608	0.6
71.50852	0.4
71.51301	0.8
119.99267	0.5
135.49208	0.6
183.08136	1.1
185.06079	0.5
196.05310	5.5
197.05991	1.6
198.06860	0.6
211.03973	1.4
224.04774	13.3
225.05545	10.2
226.01631	0.5
226.04063	0.6
226.06343	12.0
227.07104	6.1
239.03586	0.7
239.07130	1.1
253.04962	0.6
254.05713	0.7
268.07092	0.5
269.08197	0.5
403.47000	0.5
409.10672	0.7
433.10693	1.0
434.11639	0.8
435.12390	1.3
437.10220	1.1
448.09467	0.6
451.12109	1.5
452.12537	0.8
462.10858	0.9
463.11780	0.8
464.12650	1.9
467.15115	3.1
477.13208	1.9
478.14099	2.1
479.15506	2.6
480.11908	1.3
491.15359	1.2
493.16983	3.2
494.13925	3.1
495.14487	10.5
496.14774	0.7
509.15979	22.8
510.16800	13.1
511.17337	1.1
525.19177	100.0
526.19586	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	526.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28511	1.9
59.01373	3.1
61.98824	7.9
71.01382	2.1
83.22255	1.6
98.20681	3.0
107.01402	2.5
125.53126	1.6
150.06915	2.1
151.00320	8.8
163.00310	3.1
178.99835	6.2
243.02957	7.2
254.02072	1.9
255.02950	18.0
271.02441	38.0
272.03156	3.6
300.02707	76.7
301.03439	46.0
302.03693	2.0
313.87424	1.6
463.08752	100.0
464.09039	8.2
527.24628	2.5
551.37689	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	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.5
61.98829	100.0
62.36752	0.7
71.01385	2.1
71.50475	1.2
72.37788	0.9
73.02942	0.9
85.21147	0.7
87.04517	23.3
92.97671	0.8
93.03485	1.0
101.02451	1.2
118.23178	0.7
127.07663	12.9
128.07991	7.3
129.08203	2.1
166.45166	0.7
171.06641	8.3
172.06978	6.1
173.07111	4.2
174.07436	1.3
194.04237	0.7
212.04543	0.7
239.03282	0.8
240.04295	1.3
241.04936	1.3
249.68816	0.7
254.05748	0.8
255.06281	0.9
258.36938	0.8
291.19647	4.5
342.81647	0.8
364.12833	0.9
377.21924	0.9
451.28436	0.8
466.23325	0.7
511.13525	2.3
526.17505	9.6
527.16388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98880	0.2
59.01389	0.2
61.98827	100.0
67.62632	0.2
69.21889	2.2
71.01376	0.4
93.22365	0.2
153.73441	0.2
180.49960	0.2
215.07272	0.2
253.18391	0.2
259.11707	0.3
300.02802	0.3
301.03574	0.2
309.48080	0.2
454.28961	0.2
463.08942	0.7
523.96613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57741	0.5
59.01376	5.3
59.95298	0.5
61.98826	3.6
71.01383	2.4
71.50498	0.5
71.50903	0.7
72.97030	0.6
72.99330	1.4
73.02969	0.9
83.56242	0.5
85.02989	0.8
89.02433	0.9
95.98057	0.6
98.55164	0.6
101.02449	1.2
113.02435	1.1
115.00406	0.9
121.02994	1.1
127.07648	100.0
128.07979	3.1
130.77211	0.7
132.02225	0.8
133.02966	1.0
134.03728	14.8
134.19681	0.6
147.04539	2.2
148.05273	0.7
149.06052	3.3
153.05580	0.9
160.01663	6.0
171.06618	96.0
172.06984	2.6
173.06042	0.8
175.02548	1.2
175.03989	8.5
176.04767	5.1
178.02705	2.4
191.07149	7.7
193.03362	1.0
193.05042	14.0
203.24245	0.6
207.06570	1.3
217.05121	0.7
220.03603	0.7
230.43295	0.6
235.06093	13.4
236.06343	1.1
265.07104	5.4
295.08203	7.5
307.13647	1.1
351.12787	2.0
355.10321	1.9
365.13876	1.3
483.18900	1.2
527.17432	27.4
528.17706	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	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98827	2.4
65.54728	0.6
67.27136	0.6
70.99025	1.3
71.01386	2.1
72.99315	1.3
73.02960	0.5
78.30888	0.5
84.27073	0.5
89.02457	1.0
90.62731	0.5
101.02448	0.8
111.41959	0.5
113.02435	0.7
115.00398	0.6
117.03519	0.8
127.07648	100.0
128.07962	1.9
133.02948	1.4
134.03741	12.0
135.04596	1.0
144.04840	0.6
145.08722	0.7
147.04510	1.8
148.05334	1.5
149.06058	2.9
149.60605	0.6
155.70552	0.6
160.01656	5.0
163.04137	0.8
171.06619	94.0
172.06953	2.0
174.03088	0.7
175.03975	7.7
176.04773	6.9
177.01883	0.8
178.02721	1.7
179.34608	0.6
191.07104	7.5
192.04327	0.7
193.03363	1.2
193.05026	13.1
193.90881	0.5
202.02675	0.6
207.06612	2.4
217.05049	0.8
220.03705	1.1
235.06107	14.7
236.06456	1.1
245.11838	0.7
259.37775	0.5
265.07132	5.0
271.04010	0.6
295.08203	8.5
307.14090	1.1
327.21671	0.6
351.12814	2.1
355.10190	3.0
391.88864	0.5
483.18661	1.5
527.17578	44.7
528.18134	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	527.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63925	1.3
54.72219	1.4
55.01878	2.7
57.03427	2.8
58.00590	2.0
59.01381	50.8
59.80946	1.3
61.98820	11.0
70.13922	5.1
71.01387	50.8
72.99306	3.8
73.02950	9.1
75.00855	2.4
83.01378	5.3
85.02949	18.4
87.00883	15.1
89.02446	31.7
93.03436	2.0
95.01376	4.3
96.95995	3.2
99.00864	3.8
101.01809	2.5
101.02448	38.1
111.00894	2.2
113.01750	1.4
113.02467	20.9
116.05061	1.6
117.97895	1.7
119.03503	12.7
121.02921	2.5
125.02367	1.9
129.01927	2.2
131.03471	6.7
138.05490	2.1
141.01773	1.6
143.03500	3.0
152.07140	8.3
153.07553	4.2
159.03040	3.5
161.04555	14.1
161.08160	4.1
179.05573	4.1
195.06500	1.8
221.06676	15.0
256.10861	1.7
291.14392	4.9
305.15994	4.4
321.15573	21.9
329.16110	2.0
365.17953	5.1
367.19583	1.8
389.52902	1.7
449.10800	1.6
527.15875	18.6
527.23370	100.0
528.23499	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89266	1.0
57.03434	3.6
59.01383	15.7
61.98811	1.1
68.99811	1.6
70.36282	2.0
70.36637	2.3
71.01029	1.4
71.01382	20.0
72.99311	6.3
73.02921	1.9
75.00483	1.2
75.00870	19.3
85.02477	1.5
85.02950	22.6
87.00866	7.8
89.02429	2.6
94.98033	1.2
95.01392	4.9
97.06572	1.5
98.20589	1.2
99.00868	12.0
103.00330	2.0
111.00807	1.5
113.02453	31.1
115.00329	2.0
117.01892	4.8
125.09695	6.5
125.74844	1.0
129.01974	1.8
130.92122	1.0
142.58037	1.0
175.02344	4.2
187.09676	3.9
203.08499	1.0
224.04768	1.3
231.04881	3.0
249.06154	26.3
259.20609	1.6
267.07043	3.7
276.20578	1.2
277.21698	91.2
278.21854	5.3
279.07462	1.0
313.23624	1.7
367.85583	1.1
467.26596	1.3
483.33157	1.9
485.58594	1.1
509.26978	4.0
510.75574	1.1
511.16412	2.5
512.17535	2.9
527.19501	9.8
527.28241	100.0
528.21246	1.6
528.28809	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03447	0.1
58.00595	0.2
59.01374	6.0
60.01702	0.1
62.56039	0.1
70.01479	0.4
71.01377	4.0
72.99319	0.2
73.02940	0.7
80.02691	0.1
80.49168	0.1
83.01383	0.5
84.23734	0.1
85.02951	1.0
87.00864	0.5
89.02440	3.6
91.04038	0.1
95.01373	0.4
95.05028	0.3
97.02966	0.1
97.06590	0.3
99.00878	0.2
101.02435	4.3
102.02680	0.1
109.06557	0.1
113.02444	1.9
113.06062	0.1
115.04033	0.1
116.76453	0.1
119.03496	1.0
119.05029	0.2
125.02403	0.1
125.06104	0.4
127.07623	0.1
127.11242	0.1
131.03487	0.2
141.09312	0.1
143.03523	0.3
148.08940	0.6
149.04539	0.1
149.09644	0.2
150.10487	0.8
151.11259	0.4
160.27530	0.1
161.04533	1.6
163.11320	0.7
165.12831	15.8
166.11932	0.1
166.13144	0.5
175.11295	0.4
176.11981	0.4
177.12833	0.4
179.05551	0.7
179.14392	0.2
191.14319	0.5
202.09883	0.1
217.15895	0.5
229.19456	0.1
235.08220	0.3
245.19086	0.2
247.20641	8.1
248.21002	0.5
253.09258	17.0
254.09581	0.6
255.17567	0.1
273.18579	4.8
274.18967	0.2
291.19626	100.0
292.19962	6.5
351.25259	0.1
433.41418	0.1
515.93018	0.1
527.28125	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65384	0.1
55.01860	0.2
59.01378	5.5
61.98829	0.7
65.97511	0.2
69.13513	0.8
69.13936	0.7
71.01379	3.8
72.01838	0.1
72.99303	0.3
73.02943	0.5
83.01389	0.6
85.02956	1.0
87.00871	0.6
89.02446	3.6
95.01369	0.4
95.05042	0.2
97.06611	0.4
97.30502	0.1
99.00864	0.2
101.02442	3.9
113.02443	2.1
117.05575	0.2
119.03508	0.7
119.04999	0.2
121.06541	0.1
125.06050	0.4
127.07659	0.2
129.05592	0.2
143.03429	0.4
148.08907	0.7
149.04489	0.2
149.09668	0.2
150.06836	0.2
150.10506	0.7
151.11267	0.3
161.04561	1.5
163.11282	0.6
165.12840	15.0
166.13164	0.4
175.11273	0.5
176.12064	0.3
177.12735	0.3
179.05606	0.5
189.07629	0.3
191.14377	0.4
211.03935	0.3
212.04778	2.0
217.15973	0.4
235.08125	0.2
239.03450	0.3
240.04150	0.2
247.20665	8.0
248.20966	0.4
249.07767	0.2
253.09271	15.9
254.05682	0.2
254.09642	0.6
255.02766	0.2
255.06602	4.9
256.03372	0.2
256.06970	0.3
257.03992	0.1
273.18579	4.5
274.18912	0.3
291.19644	100.0
292.19980	6.1
350.45523	0.1
365.23227	0.5
480.12076	0.2
495.14615	0.8
496.15021	0.4
512.14594	0.3
527.16931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01381	18.7
69.98686	2.7
69.99104	3.4
71.01385	22.8
72.99295	7.0
73.02944	1.8
75.00876	24.3
80.49300	1.0
80.96509	2.5
85.02955	26.4
87.00871	6.8
89.02430	6.6
91.24549	1.0
91.54964	1.1
94.38412	1.1
95.01399	8.2
98.19850	1.1
99.00877	12.2
103.00373	3.6
106.62105	1.1
113.02451	43.0
115.00346	3.0
117.01926	3.6
124.48286	1.5
129.01929	2.1
157.01385	2.0
175.02495	4.2
205.07253	2.9
249.06187	7.2
267.07230	9.5
277.21725	69.5
278.22070	4.0
477.62869	1.2
491.46652	1.6
509.27817	2.9
527.28656	100.0
528.28662	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03438	0.7
58.00593	0.3
59.01381	7.9
61.98830	0.4
62.45493	0.2
69.03451	0.5
69.17536	1.6
69.17944	0.5
69.62293	0.2
71.01379	5.0
71.05000	0.3
72.99326	0.3
73.02939	1.1
83.01381	0.3
83.05038	0.7
85.02953	1.2
87.00867	0.5
89.02438	4.4
91.03984	0.4
93.03412	0.3
95.01392	0.3
97.06573	0.9
99.00886	0.5
101.02450	5.3
107.08719	0.2
109.06570	0.4
111.08153	0.9
113.02451	2.3
119.03516	1.1
121.10236	3.4
123.08171	0.3
125.09716	4.1
126.09998	0.2
127.11278	1.0
135.96156	0.2
139.11246	0.2
141.12814	0.3
143.03494	0.4
147.08272	0.3
151.11235	0.4
153.12834	1.1
161.04581	1.6
163.11264	0.2
165.12827	0.3
167.10826	0.3
177.12854	0.6
179.05606	0.9
185.11830	3.9
193.15875	0.4
195.13867	1.0
197.11804	0.8
203.14384	0.6
209.11827	0.5
211.13316	1.1
223.13394	0.7
229.19627	0.8
235.08138	0.5
245.18912	0.3
247.13373	0.4
247.20688	2.7
253.09277	19.4
254.09619	0.6
263.20163	5.9
273.18604	6.2
291.19650	100.0
292.19986	5.7
292.23236	0.3
293.21271	0.3
316.44705	0.2
340.65332	0.3
365.23160	0.2
527.16565	1.0
527.28632	5.2
528.29144	0.5
545.87665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.75087	0.3
57.03435	0.9
59.01376	7.2
71.01376	3.7
71.05028	0.7
72.90900	0.3
73.02955	0.9
83.05035	0.7
85.02944	1.2
87.00890	0.6
89.02446	3.4
95.05050	0.4
97.06573	0.5
101.02440	3.8
109.06556	0.4
111.08154	6.6
112.08480	0.4
113.02442	1.9
113.09721	0.5
117.88708	0.3
119.03497	1.2
125.09685	0.3
133.10233	0.3
137.09680	0.6
148.06187	0.3
150.06856	3.1
161.04593	1.6
161.05783	0.3
163.07651	0.4
165.12758	0.4
167.10803	1.4
170.90938	0.3
177.12900	1.5
179.05557	0.4
179.10789	3.4
195.13881	4.7
209.27185	0.3
247.20622	1.9
253.09268	17.9
254.09621	0.5
263.20160	1.0
273.18546	2.6
274.19156	0.3
291.19635	100.0
292.19983	6.1
309.80566	0.3
348.47067	0.3
350.20990	0.8
365.23251	5.8
366.23590	0.4
527.15887	0.4
527.28345	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	529.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37558	0.8
57.03452	11.1
59.01381	11.0
61.98828	6.7
64.55313	0.7
71.01381	8.0
71.51002	1.2
72.99266	0.9
73.02937	3.5
75.10103	0.9
82.78272	0.8
83.01392	1.2
83.05012	0.8
85.02937	2.3
89.02427	3.0
95.05044	2.5
99.08157	42.7
100.08435	1.1
101.02422	3.8
105.03465	1.6
109.06558	1.6
113.02426	3.7
115.00370	3.8
119.03494	1.0
119.05009	1.3
121.02945	1.1
123.04520	100.0
124.04819	2.2
125.02431	0.8
127.07649	61.6
128.07967	1.0
129.05574	19.0
130.08722	0.8
133.01469	4.6
138.03241	1.8
145.02840	2.2
149.02379	1.3
153.05568	46.1
154.05936	1.5
161.04533	8.5
163.04012	1.5
171.06621	14.2
179.03502	0.9
189.07643	2.8
199.13313	1.3
201.11343	7.2
226.06334	3.3
241.08646	3.2
243.12283	1.4
261.13461	7.4
274.00458	0.9
279.06741	1.0
285.09726	13.6
286.09848	1.0
307.08160	1.3
307.15512	1.0
369.13281	1.4
390.83115	0.8
457.17026	4.5
516.81110	1.0
529.22852	8.0
552.39069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.0
61.98832	11.1
62.89257	1.7
63.11056	1.5
64.46359	1.5
71.01384	9.8
71.06575	1.6
73.02939	5.1
77.03777	1.7
77.34393	1.4
82.92352	2.0
83.01396	1.8
85.02955	2.4
87.00940	2.1
89.02436	3.1
93.03467	6.3
96.96011	4.4
97.02961	3.1
101.02444	5.3
111.00900	4.1
113.02420	2.6
115.00409	2.8
117.03461	5.3
119.05018	81.0
121.02953	3.6
123.04501	1.6
125.02435	1.4
125.09699	4.3
127.07646	3.6
128.07964	1.6
132.05782	5.0
133.06598	13.4
143.03500	3.1
145.02951	28.0
153.05499	1.7
159.73184	1.8
161.06065	21.1
163.04001	100.0
164.04492	2.2
171.06622	4.1
174.01704	4.8
177.05650	1.6
179.10815	3.5
187.04024	5.2
187.09715	3.6
194.50839	1.5
205.05026	26.2
217.04962	3.1
223.06041	2.4
229.08611	1.8
235.06050	3.5
261.13397	4.8
278.04547	1.6
302.15439	1.4
307.07950	2.3
325.09244	9.2
367.10242	2.7
448.17175	1.7
485.20764	2.3
516.63428	1.7
529.27112	2.5
541.61206	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	529.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
61.98814	3.9
63.40023	0.5
71.01394	2.2
71.50468	0.8
71.50863	0.7
73.02965	1.7
83.01405	0.6
97.67104	0.5
101.02405	1.1
113.02467	1.2
119.05051	3.4
123.04555	0.8
127.07746	0.7
133.01416	0.7
136.55200	0.5
138.17763	0.5
146.06284	0.7
149.42862	0.6
156.05812	0.6
157.06573	28.3
158.06934	1.1
169.44775	0.6
173.06041	4.9
175.07631	100.0
176.07954	4.4
201.05525	3.7
211.13332	0.9
213.09328	0.8
219.06598	76.3
220.06900	1.9
253.09148	0.7
262.24219	0.6
285.50952	0.6
293.21167	2.8
405.47495	0.6
431.08749	0.6
529.15735	2.1
529.30273	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	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.57782	0.5
57.03447	6.3
58.00605	0.6
59.01376	22.7
60.01703	1.1
61.01796	0.6
61.98830	3.1
71.01376	10.4
71.50105	0.6
71.50473	0.7
72.01720	1.7
73.02950	1.8
83.01402	1.0
85.02950	2.1
87.00878	1.8
89.02443	11.6
90.02783	1.6
91.02852	1.1
95.01385	1.2
97.02910	0.5
97.06572	0.8
99.08155	33.1
100.08467	1.1
101.02439	11.3
102.02784	1.6
103.02821	0.6
113.02438	4.8
114.02776	1.1
119.03521	2.6
120.03865	0.6
125.06099	0.7
126.06457	0.6
127.06710	1.2
127.07647	20.4
129.05577	46.7
130.05904	0.7
139.80338	0.5
143.03522	0.9
145.08722	0.9
148.08914	1.1
149.09300	0.8
150.10463	1.2
151.11160	0.9
153.05615	1.1
161.04575	3.5
162.04861	0.9
163.05022	0.7
163.11307	1.0
165.12846	20.5
166.13167	12.5
167.13438	4.6
171.06631	4.3
175.04002	0.7
176.11755	0.9
177.12462	0.7
178.13138	0.5
179.05638	1.1
189.07678	70.8
190.08031	2.0
191.14348	0.8
200.80095	0.6
235.08121	0.6
242.07938	0.5
247.20654	7.8
248.20984	7.9
249.21300	4.3
253.09264	19.9
254.09631	13.0
255.09772	12.2
273.18649	4.4
274.18973	4.6
275.19229	3.3
291.19647	79.7
292.19983	100.0
293.20282	88.9
294.20712	1.7
297.07666	0.9
309.07574	1.5
312.09912	1.0
327.12335	5.1
339.12457	3.4
357.71976	0.6
441.96600	0.8
488.11243	0.6
529.19073	5.0
529.30414	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	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70347	3.4
53.11905	3.1
54.27045	3.2
59.01366	7.0
60.99283	3.9
61.98823	4.2
71.50185	3.4
71.50555	5.7
74.90307	3.7
75.96286	3.6
78.95901	8.0
88.00414	9.5
88.04046	4.1
88.98840	20.3
88.99308	4.1
89.02448	100.0
96.96011	14.7
152.99565	5.4
255.23265	20.1
277.21680	5.3
279.46109	3.8
296.96680	3.8
313.04633	3.9
444.87982	4.5
529.35376	12.1
537.26910	4.0
549.47858	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65322	0.1
55.01874	0.3
57.03451	1.5
58.00605	0.3
59.01378	7.3
60.01735	0.2
61.98817	0.3
63.79564	0.1
69.03465	0.2
71.01381	5.6
71.50530	0.2
72.99324	0.3
73.02946	1.1
83.01397	0.6
85.02952	1.2
85.06637	0.2
87.00877	0.7
89.02441	4.7
95.01404	0.4
95.95650	0.2
97.02964	0.2
97.06647	0.2
99.00894	0.2
101.02441	5.8
109.06581	0.9
111.08132	0.1
113.02460	2.7
113.09732	6.0
114.10043	0.2
119.03504	1.1
119.05012	0.2
121.10242	0.6
125.02469	0.2
127.07655	0.4
129.05545	0.2
131.03494	0.3
133.04973	0.2
136.04749	0.2
139.11272	0.6
141.09169	0.2
143.03508	0.5
145.02896	0.2
147.72894	0.2
149.04559	0.2
149.09685	0.2
161.04584	2.7
165.12860	0.2
167.10770	1.0
171.10265	2.3
177.12820	0.3
179.05605	1.0
179.10837	0.7
179.14473	0.3
183.10344	0.2
183.13910	5.4
184.14212	0.2
190.10812	0.1
195.13919	3.3
205.12259	0.2
211.13370	1.8
218.22479	0.2
223.13385	1.6
228.13422	0.2
231.21150	0.4
235.08226	0.5
235.17030	0.8
241.04913	0.2
249.22250	0.6
253.09285	22.9
254.09555	0.6
256.13113	0.3
265.21725	0.3
275.20169	6.2
276.20511	0.2
293.21222	100.0
294.21555	5.6
323.76617	0.2
348.10144	0.2
357.13638	0.2
441.09457	0.1
529.14917	0.2
529.30219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03451	2.7
59.01386	13.3
71.01382	17.2
72.71398	1.0
72.99305	4.8
75.00874	17.3
77.66991	1.1
78.95910	1.9
85.02951	21.9
87.00879	6.3
88.98798	4.9
89.02449	10.6
95.01396	4.8
98.20669	3.7
99.00872	10.2
101.02423	1.4
103.00372	2.0
113.02448	33.7
115.00365	2.5
117.01955	3.6
129.01939	1.7
138.54497	1.0
140.17839	1.1
175.02457	5.0
183.12906	1.2
187.23694	1.2
190.08197	1.2
205.07190	2.6
249.06036	7.4
255.23253	15.6
267.07159	8.9
277.21524	1.5
279.23279	67.6
280.23694	3.8
366.38867	1.2
480.30896	9.3
511.29010	3.0
529.30133	100.0
530.30273	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	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69700	0.5
52.91995	0.4
53.74649	0.4
55.01879	0.6
57.03429	0.7
59.01077	0.8
59.01374	16.0
59.43535	0.5
59.49930	0.5
61.98808	1.3
69.16827	4.9
71.01377	8.8
71.05020	2.5
73.02929	1.5
80.18242	0.4
83.01385	0.9
83.05022	0.6
85.02946	2.3
87.00870	1.3
89.02442	9.0
95.01397	1.4
101.02432	9.8
110.28601	0.5
113.02439	3.6
119.03509	2.9
143.03473	0.8
157.08698	1.8
161.04543	3.9
177.16458	1.0
179.05602	1.5
191.18002	0.8
217.15976	0.8
221.15616	0.6
231.21159	2.8
235.08124	1.3
235.17015	48.9
236.17371	1.8
253.09273	38.6
254.09592	0.7
275.20135	61.3
276.20465	3.6
293.21219	100.0
294.21494	4.5
529.18054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03430	0.5
59.01378	9.3
69.03454	0.4
71.01381	6.9
71.27083	0.5
72.33864	0.2
72.99292	0.3
73.02942	1.0
83.01389	0.8
85.02945	1.0
87.00861	0.8
89.02438	6.4
95.01360	0.4
95.05024	0.4
97.02946	0.3
101.01803	0.5
101.02443	7.7
104.48824	0.3
111.08153	0.4
113.02439	3.5
113.09735	0.3
114.75706	0.2
119.03492	1.5
125.02402	0.4
131.03502	0.3
143.03474	1.0
150.65752	0.3
161.04535	3.1
167.10797	0.5
169.12299	0.3
179.05592	1.3
179.10837	0.3
179.14409	0.7
181.12207	0.3
195.13887	8.9
196.14561	0.9
205.12317	0.9
205.15919	0.4
211.13490	0.6
223.13361	5.6
223.15381	0.5
224.14084	0.3
228.13687	0.4
231.21269	0.6
249.22345	0.3
253.09267	31.1
254.09624	0.9
256.13135	1.5
265.21762	0.3
275.20145	5.7
293.21207	100.0
294.21524	6.4
492.22223	0.6
523.65979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57207	0.3
55.01850	0.4
55.35881	0.3
56.35669	0.3
57.03449	0.4
59.01379	8.8
61.98823	0.6
69.92103	0.9
69.92501	0.6
71.01381	6.2
72.99306	0.7
73.02937	0.9
83.01379	0.7
85.02944	1.8
87.00878	0.7
89.02432	6.1
89.59173	0.3
89.78716	0.3
92.60194	0.3
98.20670	0.4
101.02438	6.8
111.08154	0.7
113.02455	3.7
119.03521	1.6
121.10191	0.4
130.70322	0.3
131.03513	0.6
143.03471	0.8
150.01695	0.3
161.04573	3.6
165.01514	0.3
171.10309	0.6
179.05598	1.2
179.14343	0.9
181.12279	0.4
195.13884	8.1
196.14435	0.5
205.12314	0.9
205.14227	0.3
211.13338	0.5
223.13383	5.8
224.13959	0.3
228.13602	0.6
231.21043	0.4
253.09279	32.0
254.09619	1.5
255.09821	0.5
256.13187	1.1
265.21606	0.5
275.20151	5.8
291.19711	1.1
292.20023	1.1
293.21219	100.0
294.21588	6.3
447.68063	0.4
492.22147	0.5
529.31934	0.4
540.46765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94667	0.3
59.01389	1.5
61.98832	100.0
71.01398	0.8
99.26832	0.3
101.02486	0.3
105.57711	0.3
115.40949	0.3
129.05602	0.3
163.04044	0.3
197.12004	0.3
361.18781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03440	5.0
58.00591	2.5
59.01378	34.1
67.01866	2.1
68.99815	2.9
69.03477	2.2
69.56294	1.9
71.01380	50.2
71.48519	2.5
72.99310	35.0
73.02946	27.2
75.00870	19.5
78.95875	2.6
79.95718	2.9
83.01406	5.3
85.02953	58.0
87.00868	16.4
88.98807	3.2
89.02447	25.5
95.01382	11.7
95.30572	2.1
96.96016	40.1
97.02959	4.0
99.00876	10.0
101.02442	20.0
103.00391	3.8
103.04049	2.8
104.28818	2.1
108.02206	2.0
111.00815	2.4
113.02454	100.0
115.00399	15.2
117.01914	3.4
119.03497	7.4
129.01958	20.6
131.03506	34.2
143.03491	2.8
157.01460	12.4
161.04547	6.6
175.02484	82.2
179.05652	9.6
187.10905	2.2
193.03488	4.7
217.03464	3.1
235.04585	42.2
302.72617	2.0
337.04248	2.2
337.07797	25.5
341.10873	36.8
355.08826	28.5
397.09915	3.5
439.11105	3.3
453.08813	8.0
471.09808	12.2
531.11945	30.5
532.12476	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	531.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03437	6.4
59.01109	1.9
59.01376	20.9
61.98806	2.1
67.01888	2.4
68.99832	1.9
69.03442	3.4
70.74529	3.0
71.01381	33.0
72.99305	35.2
73.02942	37.7
75.00867	6.9
83.01374	4.8
85.02948	66.3
87.00871	11.9
88.62034	1.4
89.02460	2.4
95.01383	14.8
96.96018	6.9
97.02923	4.8
99.00880	9.2
101.02434	15.3
103.00346	2.5
103.03968	2.5
111.00897	2.2
113.02447	100.0
114.02763	1.4
115.00379	11.1
129.01955	15.0
131.03493	42.3
143.03531	1.5
157.01405	17.0
161.04544	5.2
167.01999	2.4
175.02466	94.0
176.02744	2.2
193.03488	5.6
208.80049	1.3
215.62994	1.3
217.03468	1.9
235.04578	41.0
264.98227	1.7
273.10690	1.4
337.07730	31.8
338.08051	2.9
341.04288	1.3
355.04828	2.0
355.08823	27.1
397.09906	4.4
439.10849	3.7
453.08734	7.5
471.09894	10.4
504.80225	1.5
531.11993	33.0
532.12238	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	531.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.5
59.10626	1.1
61.98832	5.9
61.99089	1.0
67.52160	1.0
70.83278	0.9
71.01377	14.1
72.99310	1.1
73.02934	1.8
75.00851	1.8
82.25027	1.2
83.01382	8.0
84.69131	1.2
85.02936	6.1
87.00871	4.5
89.02444	12.6
90.39475	1.2
93.03464	1.2
95.01356	1.1
96.96020	1.9
97.02973	1.3
101.02433	7.0
103.05515	2.5
111.00837	1.4
113.02442	10.3
115.03978	1.0
119.03486	3.0
119.04971	2.8
123.04533	2.1
125.17514	1.1
139.03958	1.1
143.03491	3.7
145.05080	1.3
147.04507	100.0
148.04826	3.1
161.04543	3.9
161.05986	1.2
163.03929	1.0
179.05597	5.0
180.48381	1.0
215.07237	1.1
267.61777	1.2
323.09766	19.6
326.84756	1.3
402.82492	1.0
471.14954	3.7
531.14801	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	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06720	0.7
57.03446	1.8
59.01377	77.2
61.98830	3.3
71.01385	9.7
73.02946	2.0
82.75446	0.6
85.02958	1.6
89.02468	1.4
91.31013	0.6
95.44466	0.8
96.99304	1.4
98.20643	2.9
99.04505	1.2
99.08152	34.7
101.02430	1.0
109.06604	0.9
110.18234	0.8
113.02441	1.1
115.00369	16.1
123.04515	8.7
127.06704	1.0
127.07646	13.9
129.05579	77.4
130.05931	1.0
136.38704	0.8
143.07126	3.0
153.05582	12.7
161.04506	0.8
171.06670	1.4
185.08215	6.9
203.09238	100.0
204.09564	3.1
229.51825	1.0
250.23344	0.7
287.17743	0.8
352.19485	0.9
371.28363	0.8
372.09915	0.8
383.09839	7.9
531.28125	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	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79284	3.5
59.01379	68.9
61.98830	100.0
68.41306	3.1
71.01382	13.6
71.50586	6.2
74.73147	3.2
83.01360	4.2
85.02940	4.6
85.45750	3.4
89.02430	5.9
95.01373	3.5
101.02436	5.4
111.08146	8.7
113.02499	5.5
119.05064	5.4
127.07590	3.7
128.15915	3.3
148.27867	3.2
163.03963	3.6
175.60977	3.8
180.91241	3.5
195.06587	3.9
197.11844	31.3
203.04858	3.2
291.19751	4.6
309.20737	65.7
310.20831	4.2
343.18918	3.3
531.32208	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	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79284	3.5
59.01379	68.9
61.98830	100.0
68.41306	3.1
71.01382	13.6
71.50586	6.2
74.73147	3.2
83.01360	4.2
85.02940	4.6
85.45750	3.4
89.02430	5.9
95.01373	3.5
101.02436	5.4
111.08146	8.7
113.02499	5.5
119.05064	5.4
127.07590	3.7
128.15915	3.3
148.27867	3.2
163.03963	3.6
175.60977	3.8
180.91241	3.5
195.06587	3.9
197.11844	31.3
203.04858	3.2
291.19751	4.6
309.20737	65.7
310.20831	4.2
343.18918	3.3
531.32208	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	531.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01549	2.7
59.01381	4.0
61.98810	7.1
63.23298	2.5
69.62657	2.7
70.45670	7.7
71.11577	2.8
82.60121	3.2
84.08127	2.6
87.44503	2.8
98.20002	4.0
147.08192	3.1
159.04510	14.0
163.49115	2.9
173.06015	11.5
187.03967	6.5
188.04749	52.2
189.05188	5.3
189.09117	4.1
199.07614	2.9
217.08682	100.0
218.08990	3.1
277.18881	3.7
277.21707	39.0
338.30573	3.1
407.51801	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	531.3169
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
51.21129	1.4
52.84511	1.1
57.03429	4.7
59.01105	1.8
59.01370	18.7
61.06189	1.0
61.98805	1.3
69.03420	1.4
69.20252	4.5
69.20673	6.1
71.01377	21.3
72.99293	5.0
73.02912	2.2
75.00867	21.8
78.95882	1.1
83.01367	1.9
85.02943	27.8
87.00870	9.1
89.02444	7.1
95.01378	4.5
98.19873	2.3
99.00885	11.0
103.00375	2.8
103.51559	1.1
113.02443	33.5
115.00324	2.5
117.01915	3.5
120.34502	1.2
129.01950	2.8
132.34349	1.1
157.01399	2.1
175.02454	3.2
205.07202	3.3
223.08267	1.8
249.06201	7.9
267.07144	9.6
281.24823	79.9
282.25192	6.2
513.30402	2.7
531.31653	100.0
532.31891	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	531.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31907	1.4
57.03440	1.9
59.01374	19.6
61.98537	1.3
61.98821	7.9
69.75675	8.0
71.01382	6.0
75.00928	1.8
85.02988	1.9
86.67706	1.4
89.02440	5.7
91.21594	1.4
97.06606	1.5
98.63642	1.3
101.02450	6.6
113.02441	5.0
113.09714	2.0
115.17539	1.5
119.03525	1.7
119.04995	3.4
152.99564	2.2
161.04546	3.1
165.05573	2.2
179.05489	1.5
195.13885	16.4
253.09238	24.6
277.21710	13.3
293.21289	2.6
294.21710	3.0
295.22757	100.0
296.23077	7.8
309.20682	3.9
381.66666	1.7
400.09473	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	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25301	0.2
55.01860	0.3
57.03449	0.8
58.00586	0.4
59.01376	9.5
61.98827	0.8
68.71340	0.2
69.32955	0.4
69.33366	1.0
71.01377	5.5
72.99284	0.3
73.02938	0.7
83.01369	0.7
85.02942	1.2
87.00890	1.0
89.02441	5.5
95.01368	0.4
97.02960	0.3
97.06543	0.2
99.00907	0.3
99.08115	0.2
101.01806	0.4
101.02441	5.8
102.02756	0.3
113.02444	3.3
113.09715	1.4
119.03502	1.8
141.01852	0.2
143.03458	0.6
152.48405	0.2
155.22990	0.2
161.04559	2.4
177.12836	0.7
179.05608	1.4
179.14400	1.0
181.12297	0.5
195.13893	15.7
196.14198	0.9
220.15027	0.2
233.22675	0.4
235.16980	0.3
236.17384	0.4
237.17673	0.3
250.41830	0.2
251.23875	0.3
253.09268	26.1
253.57813	0.2
254.09595	1.1
255.09760	0.4
259.20877	0.2
275.20178	0.3
276.20563	0.4
277.21710	14.3
278.22049	1.1
291.19513	0.2
293.21225	1.4
294.21533	1.4
295.22754	100.0
296.23087	6.4
443.00806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
58.00598	0.2
59.01378	5.3
61.98849	0.2
69.18102	1.1
71.01383	4.1
71.01778	0.2
72.99305	0.3
73.02946	0.8
83.01385	0.5
85.02953	1.0
87.00871	0.4
89.02444	3.6
91.03986	0.1
92.91195	0.1
95.01368	0.4
97.02927	0.3
99.00877	0.3
101.02440	4.3
103.53534	0.2
113.02442	1.9
119.03497	1.2
125.02412	0.2
131.03490	0.2
133.05067	0.3
143.03508	0.3
161.04544	1.7
179.05542	0.6
235.08160	0.9
237.70477	0.1
241.90973	0.1
253.09271	12.1
254.09633	0.4
295.26389	100.0
296.26746	5.4
417.29492	0.1
531.31592	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	533.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52725	0.2
55.98938	0.2
56.48400	0.2
57.83721	0.2
59.01381	2.2
61.98808	0.8
62.59234	0.3
64.78964	0.3
70.52076	0.7
70.52435	0.3
78.54103	0.2
78.95898	32.7
96.96011	0.6
96.96964	1.5
98.95574	0.3
99.92578	0.5
116.92834	1.0
150.98009	0.4
152.99579	13.8
171.00645	0.5
178.88412	16.7
179.89238	4.8
180.89981	7.4
181.89960	0.6
194.87897	0.7
194.89754	0.3
196.89465	100.0
197.89471	3.9
211.23598	0.3
225.05559	0.4
226.06325	0.4
234.91087	0.6
235.91864	0.5
239.07091	1.7
240.07764	0.7
252.92024	0.5
253.08708	0.9
266.05777	1.7
281.08209	0.6
286.08466	0.3
457.10800	0.6
459.12674	0.5
497.14539	0.3
515.27271	0.3
529.13177	0.6
533.16193	8.7
533.28760	5.3
533.37122	0.4
534.16357	0.9
534.29218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53188	0.9
59.01366	3.5
59.47931	0.8
61.98827	37.8
69.36012	3.6
69.36439	3.1
86.95049	0.9
89.03967	1.3
109.02929	0.9
117.03463	4.1
119.04951	1.1
121.02905	1.7
133.02914	1.8
134.03731	56.5
135.04095	2.0
137.02444	6.9
139.03952	1.9
142.35342	0.9
145.02940	2.2
149.06058	12.2
163.04016	1.3
178.02701	20.0
193.05038	100.0
194.05353	3.7
235.07561	2.8
237.09018	1.2
245.06013	1.7
253.08606	1.9
262.06366	1.0
263.07056	8.6
268.10922	1.2
281.08167	13.7
284.98535	1.0
291.06540	2.6
292.07144	1.7
293.08115	3.5
294.08798	2.0
295.09604	1.3
296.10544	3.0
308.10477	4.0
309.07672	51.0
309.11014	1.7
310.07813	2.7
323.09213	7.3
324.09973	23.3
339.12338	56.9
340.12677	2.7
435.52646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45558	1.2
58.02977	6.7
59.01383	10.2
61.98822	5.0
68.05042	3.8
70.02974	13.8
71.01368	5.9
73.04061	3.7
74.02470	10.4
74.09025	1.2
77.14167	1.2
80.05052	4.0
82.02976	24.3
82.03435	1.7
82.20375	1.4
84.00907	1.5
84.04546	3.8
85.04074	4.0
89.02473	3.2
94.02963	1.6
96.04540	4.8
98.06125	4.1
99.01995	1.9
99.05639	5.9
101.02472	2.3
102.05597	1.8
106.74016	1.3
107.02486	2.1
109.01683	2.6
109.04085	2.7
110.02454	2.7
112.04031	6.7
113.02442	2.2
113.03586	2.9
113.07226	2.2
116.03546	3.9
119.03481	2.7
122.02467	1.6
123.05638	10.6
124.04039	74.1
125.04404	2.2
127.05138	16.6
128.03537	65.6
130.08736	72.3
131.09041	4.0
139.01527	1.7
139.05087	4.1
141.06691	35.9
141.10303	4.6
142.05092	4.5
143.11896	29.2
144.12206	1.3
147.05968	2.1
148.04370	3.9
149.07188	2.1
150.05573	3.8
153.10364	1.5
167.03209	1.9
167.04614	32.1
167.08257	2.7
168.03012	4.4
169.09828	5.8
172.04289	3.4
172.09769	5.4
180.10268	2.1
185.05669	26.2
187.10866	17.2
189.06998	7.0
190.05438	18.5
197.12953	13.8
228.17136	1.8
229.11960	3.3
229.38556	1.3
231.13573	3.2
236.14073	1.7
240.08174	8.6
241.06488	13.8
241.08681	2.1
241.11853	8.8
247.07588	14.0
254.15091	28.7
258.09125	12.3
264.49149	1.3
293.10025	2.5
298.14041	69.5
299.14426	2.2
303.13675	2.5
316.09625	3.6
342.16611	11.2
342.85178	1.6
358.10721	18.3
429.17966	5.3
438.79327	1.4
471.19040	38.2
472.19086	2.8
489.20224	100.0
490.20737	7.4
515.21564	8.7
533.22815	83.4
534.23071	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.5
59.01379	12.4
59.85300	0.8
61.98827	25.8
64.27715	0.9
66.13340	1.0
66.84074	1.1
71.01370	4.6
71.50241	1.3
73.02934	1.2
74.54539	0.9
83.01386	1.4
83.05064	1.0
85.02950	2.8
85.16084	0.9
87.00886	1.7
89.02448	1.5
93.03441	1.5
99.00872	1.3
99.08157	80.7
100.08450	1.4
101.02425	1.9
109.02944	2.8
116.03542	1.2
121.02952	6.2
122.03722	5.3
127.07649	100.0
128.07990	2.5
129.05580	78.1
130.05849	1.4
135.04501	1.4
137.02475	1.0
138.03206	1.6
143.07115	2.7
147.04515	3.3
153.05571	24.0
154.02718	1.5
159.97916	0.9
161.06068	1.9
165.05559	14.6
171.06618	28.2
175.34006	1.0
179.07108	3.3
256.07211	1.4
313.14386	2.1
315.12256	1.6
327.25327	1.4
343.15341	1.5
346.14240	5.9
361.16537	83.7
362.17010	5.9
471.26657	2.1
533.23560	2.7
533.32770	10.2
534.32422	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	533.2595
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.21769	1.1
55.01862	3.5
57.03434	2.9
58.00580	3.5
59.01375	100.0
60.99260	1.3
61.98816	3.9
63.22631	1.1
67.83446	1.1
69.93787	1.1
71.01376	78.1
71.50664	1.2
72.01704	1.2
72.99300	5.4
73.02940	7.4
83.01392	6.4
85.02940	22.6
87.00859	5.1
87.90845	1.1
89.02437	83.5
95.01378	5.1
96.96008	14.5
99.00861	2.6
101.02438	52.2
101.09134	1.3
111.00855	1.5
113.02444	34.0
113.92598	4.9
119.03486	39.9
125.02422	2.1
131.03473	3.8
143.03493	8.0
149.04559	2.9
152.12418	1.1
159.02937	2.9
161.04536	14.1
179.05569	15.3
307.06079	1.4
327.03885	1.6
366.06628	1.5
371.20508	9.5
533.25964	85.0
534.26361	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	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71635	0.7
55.01872	1.2
57.03455	1.1
58.00595	4.1
59.01376	100.0
60.01709	0.7
61.98826	4.4
66.83471	0.8
71.01379	67.4
71.23148	1.1
72.99293	4.6
73.02924	1.4
73.45939	0.7
80.77182	0.8
83.01385	1.7
84.02181	0.9
85.02955	9.8
87.00896	3.0
89.02440	92.8
90.02780	0.8
95.01399	3.5
101.02437	25.4
113.02445	25.7
119.03496	29.3
131.03529	3.1
143.03479	6.2
149.04578	2.9
151.27924	0.7
161.04538	6.0
179.05600	14.7
320.63248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03447	2.1
58.00594	3.7
59.01378	100.0
65.30236	0.7
69.46483	1.1
69.46895	3.9
71.01378	68.8
72.01727	0.8
72.99299	4.1
73.02959	3.3
79.90079	0.8
83.01403	2.9
85.02952	12.8
87.00883	4.0
89.02442	89.2
95.01394	4.3
99.00883	1.2
101.02440	38.5
106.06744	0.8
113.02448	27.8
119.03498	38.9
125.02501	1.3
131.03493	3.7
143.03510	6.2
149.04527	4.0
151.03993	0.8
159.02936	0.7
161.04568	8.9
174.97043	0.7
178.38841	0.6
179.05614	15.9
209.01317	2.1
266.11017	0.7
270.33942	0.9
277.71414	0.7
359.36148	0.7
379.13760	0.8
533.17780	1.2
533.26013	9.2
534.26178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34538	0.3
53.82344	0.3
56.59092	0.3
59.01372	0.4
61.98831	0.6
63.26630	0.3
71.51334	0.5
77.45688	0.2
78.95900	58.9
96.96964	5.7
101.65128	0.3
122.54739	0.3
125.70303	0.3
150.98015	1.7
152.99580	100.0
153.99927	1.2
170.98375	0.3
171.00636	3.5
178.88403	1.2
179.89137	0.4
180.90001	1.0
196.89464	10.1
197.06097	0.6
197.89449	0.5
225.05698	0.3
228.52493	0.3
236.01239	0.3
240.07878	0.5
251.07129	0.3
379.28506	0.7
467.43887	0.3
476.32971	0.4
506.12537	0.3
512.88586	0.3
533.16547	0.6
533.28668	6.6
534.28748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2965
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
52.29081	1.0
52.42812	1.0
55.01877	2.6
57.03445	5.3
58.00591	4.3
59.01377	100.0
60.12392	1.0
61.98828	12.1
71.01379	68.8
71.05027	1.3
72.99310	5.1
73.02944	7.6
82.75596	1.2
83.01371	6.9
85.02948	26.2
87.00858	5.9
87.04526	2.1
89.02439	65.3
95.01400	5.1
97.06556	5.5
98.19938	2.7
99.00879	3.6
101.02438	49.8
101.06127	1.2
109.06602	2.2
113.02444	30.5
113.06029	1.0
119.03498	28.7
120.03893	1.0
123.08166	4.5
125.06069	1.4
125.09751	1.9
127.07677	1.4
131.03494	2.3
137.09740	2.0
143.03514	4.6
149.04601	1.5
149.09749	1.5
152.08467	1.8
155.10832	1.5
161.04550	14.3
167.10780	6.3
179.05602	10.2
181.12337	1.6
194.09351	1.3
196.10966	3.0
207.13878	1.3
213.11378	1.6
214.12111	3.1
239.16594	1.3
247.16879	1.2
265.18033	1.3
277.18274	1.5
291.19955	1.5
293.21268	1.6
295.19110	2.0
335.22372	4.1
353.23367	12.0
371.20490	1.4
371.24432	20.5
376.00977	1.3
427.23450	4.9
457.24524	3.4
497.27667	5.1
515.28577	32.3
516.29297	2.9
533.29822	78.0
534.30109	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	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
57.03451	0.3
59.01376	6.0
60.01719	0.3
61.98828	100.0
69.26187	2.2
69.54843	0.3
71.01369	2.4
73.02944	0.5
78.95905	1.4
83.01393	0.6
85.02956	1.1
87.00861	0.3
89.02452	1.3
98.20626	0.5
99.00894	0.3
99.08141	0.4
101.02435	1.6
113.02471	0.9
119.03501	0.5
123.55412	0.2
128.51096	0.3
129.05534	0.4
152.99602	0.6
161.04524	0.4
162.06894	1.0
163.03981	0.5
163.07213	0.8
221.08183	1.4
222.08553	1.1
223.13358	1.3
267.12427	0.3
341.10098	0.4
533.22375	0.3
533.29950	1.1
534.16980	0.4
534.29633	1.7
535.22766	0.5
535.31110	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	534.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54856	1.1
57.03442	1.6
59.01377	93.1
61.98826	100.0
71.01382	12.5
73.02944	5.8
83.01374	2.8
85.02949	3.2
87.00882	1.6
89.02441	4.1
95.28312	1.1
99.00834	1.9
101.02436	9.4
107.32141	1.1
107.54023	1.1
113.02455	3.2
119.03462	1.5
161.04500	1.9
162.48306	1.4
163.11278	5.9
181.12331	19.9
187.11325	2.5
189.12816	3.7
190.09988	3.9
203.05661	1.7
204.11612	1.2
205.12344	7.9
223.13348	4.5
247.13342	1.6
267.12192	3.4
330.63614	1.2
341.13779	1.2
349.16650	2.0
367.17606	4.2
427.19672	5.3
533.29407	1.4
534.26544	1.5
535.30804	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	534.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54530	0.3
51.46275	0.3
58.29586	0.4
59.01375	4.7
61.98832	100.0
69.25956	2.0
69.26382	0.9
71.01388	1.1
73.02947	0.4
78.95927	1.2
80.09602	0.3
85.02947	0.4
87.00919	0.3
89.02438	0.6
100.26837	0.3
101.02448	1.1
106.53838	0.3
113.02467	0.6
133.72147	0.3
152.99631	0.5
153.05518	0.3
162.06937	0.6
163.07182	0.4
221.08284	1.0
222.08527	0.7
223.13449	1.0
267.12540	0.4
341.09949	0.4
533.29895	0.6
534.17578	0.6
534.30267	1.3
535.31134	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	535.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03442	1.3
58.00573	0.5
59.01381	12.3
59.94226	0.3
60.01715	0.4
61.98826	3.1
71.01010	0.6
71.01382	7.8
71.02247	0.4
71.51014	0.6
72.01722	0.7
72.99319	0.6
73.02948	1.5
75.00876	0.6
79.64021	0.4
80.09190	0.3
83.01394	0.8
83.04983	0.5
85.02932	2.2
87.00874	1.3
89.02443	5.7
95.01377	0.7
96.95986	0.9
97.02927	0.4
98.95597	0.7
98.96452	0.4
99.00874	0.9
99.08154	2.6
99.92587	19.6
100.90450	0.9
100.92725	0.6
100.93364	3.8
101.02442	4.8
102.02800	0.9
103.96924	0.4
109.02942	0.6
111.00870	0.7
113.02460	3.2
115.92078	100.0
116.92086	2.9
116.92853	25.5
117.92863	0.8
119.03495	3.1
120.03819	0.6
125.02387	0.9
126.94945	0.8
127.07590	0.4
129.05594	0.8
132.04558	0.8
132.92311	0.5
134.06067	0.4
135.02985	0.8
141.93655	0.8
142.94427	2.3
143.03520	0.4
161.04567	1.4
163.03960	0.4
166.94463	0.4
168.95967	0.7
169.93118	0.6
170.93898	0.8
179.05646	0.7
184.95377	0.4
189.07509	0.4
192.19096	0.4
196.95468	1.3
197.92134	0.4
198.97099	0.5
226.96483	1.8
227.03462	0.7
238.38489	0.4
238.99913	0.4
242.95972	4.7
244.97615	1.1
254.99594	0.8
255.03003	0.8
281.01199	0.4
284.03308	0.8
285.04080	2.0
311.02322	0.5
329.03320	43.0
330.03479	2.8
347.04349	4.4
361.02353	1.1
373.12854	0.4
373.26126	0.6
411.11325	0.4
417.21310	2.5
455.10141	11.1
456.10138	0.7
503.16681	1.3
534.26257	2.2
535.10883	0.5
535.25610	2.3
535.33099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1973
Annotation	Gomisin G
Peak:m/z	Relative Intensity
56.20813	0.5
59.01376	10.0
61.98827	39.2
66.94807	0.5
69.43224	2.8
69.43644	1.1
71.01379	2.0
73.02936	2.7
78.95897	2.3
83.01398	0.7
86.21505	0.4
89.03964	1.3
98.20687	0.9
101.02420	2.6
105.03449	0.8
106.04209	0.7
109.02932	0.7
113.02451	0.7
117.03462	4.6
119.04997	2.3
121.02931	2.3
123.04523	0.8
132.02159	5.1
133.02950	12.4
134.03735	59.6
135.04535	19.9
136.01646	2.3
136.04794	0.6
137.02423	6.5
139.03951	1.5
145.02913	0.8
147.04500	3.6
148.05255	2.1
149.06110	4.5
150.03172	0.9
151.03984	1.5
151.44107	0.5
152.99571	6.1
153.05595	0.6
159.04546	0.9
160.01639	13.4
161.02425	8.7
161.04546	1.3
163.03961	1.7
165.05528	0.6
175.03981	8.6
177.02011	0.9
177.05534	1.2
178.02686	4.3
179.03485	15.1
193.05034	28.5
194.05420	1.1
207.06563	3.1
223.13393	3.9
267.06958	0.6
267.12399	3.0
287.20102	0.5
313.18008	1.5
331.19141	8.8
349.09482	0.5
373.19980	0.7
382.79306	0.6
520.17340	4.4
535.19653	100.0
536.19916	12.5
537.10608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25843	0.6
57.03448	4.3
57.33920	0.6
58.80873	0.6
59.01379	100.0
61.98828	27.4
63.31598	0.5
64.65941	0.7
71.01383	9.1
71.05019	1.6
71.50784	0.9
72.99300	0.6
73.02964	2.0
82.14101	0.5
82.64879	0.5
83.01398	1.0
83.05020	1.3
85.02945	3.1
85.06547	0.6
87.00861	4.0
89.02444	4.6
90.64022	0.5
91.84351	0.5
93.03442	0.8
95.01406	1.1
95.27368	0.6
96.96021	0.8
99.00900	0.7
99.08178	0.7
101.02438	5.4
104.65549	0.6
107.05039	1.6
109.06620	0.7
113.02437	3.6
115.00372	1.5
119.03519	2.5
119.05006	1.0
121.03028	0.8
123.04541	2.0
127.07664	0.9
129.05522	1.0
133.01437	1.9
135.04552	1.4
135.11833	0.6
145.02917	0.7
147.04573	0.8
154.39488	0.6
161.04536	3.0
161.09747	1.2
161.13335	7.2
161.14484	0.8
163.04016	0.9
163.11299	2.1
179.05527	0.7
187.11324	3.1
187.13438	0.7
189.09280	1.0
203.10829	0.7
205.12398	2.6
207.10254	4.1
221.06718	0.8
223.13383	74.1
224.13754	4.0
226.06374	5.4
241.08676	8.5
249.11198	2.9
267.12366	70.0
268.12753	3.3
285.20901	0.7
287.15039	1.0
291.12451	0.7
320.07047	0.7
331.24988	1.4
347.17114	0.9
355.24695	0.7
360.09824	1.0
373.25708	1.0
375.12512	2.7
385.14111	0.9
405.16513	0.7
419.11383	1.0
429.17636	3.2
475.06723	0.6
475.29382	1.1
476.57132	0.6
481.57394	0.7
484.26099	0.7
493.30374	2.2
517.30676	1.1
535.22131	18.7
535.31476	15.6
536.22614	1.6
536.31635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11277	0.6
57.03450	6.8
58.00587	0.9
59.01378	100.0
60.01447	0.6
60.01722	1.7
60.37378	0.6
61.98834	9.8
71.01380	15.0
71.05022	1.9
71.50523	0.9
72.63343	0.6
72.99284	0.8
73.02951	2.9
75.00857	1.2
77.29176	0.6
82.96893	0.5
83.01393	2.6
83.04996	3.0
85.02948	4.5
85.06589	1.2
87.00867	4.9
87.04510	1.4
89.02443	10.3
95.01433	1.0
97.06619	0.9
101.02449	8.8
101.06087	1.9
107.05054	1.8
113.02452	6.2
119.03499	5.3
120.05830	0.8
121.99858	0.7
123.04574	1.3
125.06094	0.9
129.09303	0.7
133.01411	0.8
135.11803	2.9
141.05600	0.7
143.03526	0.8
161.04497	3.2
161.09720	5.0
161.13347	10.4
162.13690	1.0
163.11252	5.5
173.11873	0.9
175.02513	1.1
179.05598	1.4
187.11261	4.7
189.09286	2.3
205.12306	7.8
206.12651	2.7
207.10255	13.8
207.12975	1.4
212.31270	0.7
217.14572	0.7
223.13374	52.7
224.13811	1.8
224.82933	0.7
241.05101	1.4
241.18159	1.3
241.25600	0.7
249.11398	2.9
256.07529	0.9
265.04172	0.8
267.12360	62.7
268.12674	3.2
271.09814	2.4
276.73813	0.7
313.23941	0.8
373.25949	8.4
375.12463	1.4
405.14050	0.8
415.15204	0.7
429.17557	1.5
475.28894	1.0
493.29877	1.0
503.14877	0.7
517.21307	0.7
535.22156	45.0
535.31531	34.3
536.22491	5.0
536.31635	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	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
59.01379	100.0
60.99313	0.9
61.98832	5.0
65.09906	0.8
69.21381	6.2
71.01376	7.0
71.05019	1.6
73.02957	2.3
78.86568	0.6
81.07114	0.9
83.01392	1.8
83.05035	2.7
85.02954	2.2
87.00873	4.1
89.02450	2.6
93.35064	0.7
95.01436	0.6
95.05035	0.9
97.06613	0.9
101.02437	3.9
101.44176	0.6
106.06613	1.1
107.05030	1.1
109.06596	6.2
113.02450	3.3
117.00105	0.6
117.17929	0.7
119.03493	1.6
119.05083	0.9
123.04549	1.8
125.06088	2.4
129.05542	0.9
133.10138	1.3
135.04539	1.2
135.11790	3.1
137.09752	0.8
143.03426	0.7
145.10216	1.4
151.58287	0.6
161.04578	2.8
161.09682	4.9
161.13350	11.9
162.13722	0.8
163.11292	5.2
174.05490	0.9
179.10751	1.3
179.14378	1.8
187.11276	5.6
189.09232	2.0
205.12375	5.8
206.09468	0.8
207.10252	16.6
221.06566	1.7
223.13387	96.8
224.13734	4.9
241.03752	0.9
249.11304	4.9
252.10316	1.2
254.08289	1.8
256.06171	1.7
267.12363	53.7
268.12732	2.6
270.11490	0.9
300.05164	1.0
309.13419	1.0
314.10361	2.0
327.52750	0.9
385.14203	1.6
385.18784	1.1
429.17703	1.0
447.15634	2.9
491.14417	3.3
535.14746	1.8
535.21832	51.8
535.30121	2.0
535.34479	2.7
536.22333	5.1
536.36328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95461	0.8
57.03449	10.3
58.66611	0.7
59.01380	100.0
60.01679	0.8
60.07816	0.8
61.98803	2.1
71.01366	3.2
71.05004	3.3
71.50900	1.3
73.02937	2.2
73.08535	0.9
75.00874	1.6
78.06377	0.8
83.01382	1.0
83.05019	3.4
87.00856	5.5
89.02434	2.1
101.02438	2.6
107.05006	2.5
113.02433	2.1
114.83410	0.7
120.05817	2.1
121.02944	1.1
123.04525	1.6
125.06081	1.7
133.10187	1.3
135.04530	1.7
135.11792	5.7
143.85960	0.7
145.10172	1.3
161.09726	6.9
161.13344	18.1
163.11285	10.7
179.10757	2.6
187.11304	9.3
189.09209	3.5
193.05061	0.9
193.55510	0.9
205.12340	6.8
207.10246	24.9
217.76662	0.8
223.13387	58.0
224.13675	3.0
226.82951	0.9
249.11320	5.8
267.12366	82.4
268.12616	3.7
309.13254	1.2
352.14685	0.9
369.15491	2.5
429.17688	2.3
517.20868	1.6
524.02618	0.8
535.21844	81.7
535.30200	2.9
536.22308	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	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03444	1.7
58.00590	4.6
59.01376	100.0
60.01705	1.0
61.98833	1.5
69.03429	0.5
71.01378	56.5
72.01733	0.7
72.99308	4.4
73.02936	3.6
75.00879	0.4
83.01388	3.7
84.02145	0.7
85.02944	13.3
87.00874	3.6
89.02441	72.9
90.02793	0.8
92.86134	0.4
95.01384	4.3
99.00873	0.9
101.02441	36.9
113.02443	26.2
115.00393	0.7
116.92867	0.9
119.03496	34.9
120.03814	0.6
125.02390	0.5
131.03516	3.1
135.45488	0.5
143.03494	4.8
149.04559	2.5
159.02963	0.6
161.02516	0.5
161.04539	7.3
179.05591	11.0
229.55521	0.5
300.02600	0.6
355.21204	0.8
373.22037	0.7
475.21649	1.2
478.85022	0.5
487.82980	0.5
493.22723	1.4
535.27533	51.2
536.27972	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	535.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36648	1.0
55.01865	2.8
57.03440	5.2
58.00579	3.6
59.01375	86.6
61.98808	3.4
71.01378	49.0
71.05011	1.1
72.97509	1.5
72.99316	3.4
73.02940	8.3
77.82929	1.0
83.01388	5.8
85.02937	18.6
87.00876	4.0
87.04510	1.9
89.02438	48.3
91.62742	1.4
95.01362	2.9
95.50157	1.2
97.06563	2.1
99.00877	2.8
99.08141	2.3
101.02434	38.1
109.06572	1.2
111.08060	1.0
113.02445	20.6
118.98080	3.5
119.03497	22.9
125.09724	1.1
131.03508	2.0
134.03734	6.7
137.09714	1.2
143.03490	3.6
149.04596	1.3
149.06078	5.4
151.11243	1.3
159.02971	1.7
161.04555	6.7
167.10719	2.1
179.05611	6.3
185.11903	1.3
187.13420	3.1
210.33998	0.9
216.13617	5.5
223.13278	3.7
229.14555	1.1
245.17615	2.8
267.08673	9.2
267.19559	1.6
287.14990	1.1
293.21298	1.6
337.23950	3.2
355.24771	6.7
373.25925	32.8
417.21271	2.0
429.24774	1.4
517.30176	8.9
535.31262	100.0
536.31757	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75566	1.1
55.01870	2.8
55.70551	1.2
57.03449	4.3
58.00591	4.2
58.19435	1.2
59.01376	100.0
61.98826	17.2
65.16992	1.1
70.02975	1.5
71.01381	54.4
71.50444	1.9
72.00179	1.3
72.99307	4.3
73.02937	7.0
74.94186	1.2
78.91096	1.2
83.01400	5.0
83.04984	1.4
85.02949	16.2
87.00885	3.9
87.04523	2.7
87.40462	1.3
89.02443	48.5
95.01414	4.2
96.95966	2.0
97.06587	3.0
99.00877	1.8
99.08195	2.0
99.92613	3.7
101.02435	37.2
101.06136	1.7
104.05081	1.7
111.00881	3.1
113.02437	20.4
114.02016	2.2
115.92080	3.1
116.92868	7.3
119.03496	24.9
131.03519	2.1
143.03517	5.2
159.03085	1.5
161.04587	6.8
167.03458	1.7
167.10695	1.5
179.05629	8.0
180.06721	2.1
184.79599	1.5
187.13435	3.3
209.11844	1.4
215.12852	2.5
216.13737	5.1
223.13470	1.6
224.05647	3.3
225.14978	5.7
227.12926	4.7
245.17648	3.6
269.14157	2.1
287.14972	12.3
329.16074	2.9
337.23813	2.3
355.24863	3.6
373.25900	29.7
374.26401	1.8
376.20468	1.5
491.23270	3.4
535.31378	98.7
536.31946	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05354	0.7
50.60403	0.7
53.18855	0.6
54.73133	0.7
55.01878	3.4
57.03447	5.7
58.00596	4.2
59.01376	100.0
60.01719	0.8
61.98827	30.1
69.03436	1.0
71.01379	66.5
71.05019	1.5
71.50414	1.1
72.01746	0.9
72.99304	6.3
73.02943	11.7
75.00881	2.5
81.03458	1.0
82.04878	0.8
83.01385	7.8
85.02945	22.7
87.00869	5.5
87.04531	2.1
89.02442	62.5
95.01382	5.4
97.02977	1.0
97.06609	1.0
99.00883	4.6
101.02441	46.0
101.06077	1.6
101.42604	0.7
109.06568	0.8
111.00916	1.4
111.06498	0.9
111.08266	0.9
113.02448	27.9
113.09743	0.7
118.98104	0.9
119.03502	26.1
119.04989	1.6
121.06605	1.1
123.04469	1.1
125.02460	1.4
127.07672	2.0
129.05672	1.0
129.09224	1.0
131.03517	3.4
132.04546	1.2
135.03021	3.3
137.09755	1.7
142.05074	0.8
143.03487	4.8
145.03047	0.9
149.04576	2.4
153.09213	1.0
155.10738	1.0
159.03012	2.3
161.04564	11.4
167.10803	1.1
171.06627	0.8
176.03545	1.5
179.05617	9.2
185.11819	1.3
187.13374	1.5
208.06105	1.2
216.13667	1.7
223.13342	3.9
226.06390	2.3
241.08705	3.6
259.19174	2.7
267.12247	4.0
271.19461	0.8
272.27997	0.9
313.23645	0.9
315.12305	0.7
337.09189	0.8
337.23953	1.0
347.17310	1.8
355.25058	3.1
363.20453	3.4
373.13837	1.3
373.25955	24.1
374.26401	1.8
377.18393	1.0
391.19934	1.0
417.21457	3.7
421.24426	22.0
422.25113	1.5
429.20923	1.6
433.24408	4.8
459.26163	2.3
475.29077	2.8
477.26724	1.0
517.30286	3.3
535.31390	77.4
536.31451	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46522	0.7
55.01903	1.0
57.03442	1.2
57.16109	0.7
59.01377	64.6
60.01702	0.8
61.98828	100.0
69.26599	6.3
71.01383	13.9
73.02965	1.6
83.01399	1.4
85.02937	5.1
87.00870	3.8
88.01228	0.8
89.02443	11.4
95.01411	1.6
99.00861	0.9
99.08141	1.5
101.02447	8.9
105.84432	0.6
106.06610	1.6
106.72947	0.6
113.02450	5.5
119.03498	4.8
121.03027	0.8
123.64106	0.7
127.07635	0.7
131.01082	0.6
135.04524	6.1
136.04854	1.9
136.40643	0.6
143.03484	1.2
153.05611	1.0
155.10736	0.7
159.02980	0.7
161.04555	3.4
163.04066	0.7
165.07970	1.2
179.05620	2.0
192.06631	0.8
200.29137	0.6
205.05038	1.3
217.14491	1.5
373.26248	1.0
374.26456	1.0
375.27573	6.5
387.20197	3.7
429.21133	3.7
447.12936	0.8
459.30887	0.7
476.12988	0.9
476.82916	0.7
536.14691	6.1
536.31665	2.2
537.32776	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36446	1.6
59.01075	1.7
59.01376	60.4
61.98826	100.0
67.74565	1.5
68.76234	1.5
68.76643	1.3
71.01380	16.7
72.99297	1.8
73.02945	4.0
75.00871	1.9
78.95904	16.5
83.01370	4.7
83.04993	1.4
85.02939	8.3
87.00868	4.7
89.02438	9.7
89.14583	1.4
96.96970	7.7
101.02457	10.9
113.02441	5.0
115.00323	1.8
119.03481	4.6
123.04481	1.8
127.07643	19.0
128.03532	2.5
129.01886	1.7
135.04552	1.5
161.04524	6.6
171.06602	9.7
195.06590	2.2
234.57576	1.4
239.07086	2.0
243.06270	2.2
255.06650	2.9
257.08218	2.4
258.08417	4.9
312.10489	1.7
351.12909	22.5
375.27444	5.2
387.20081	5.0
429.21161	4.9
439.25674	2.8
447.12909	2.8
537.23889	3.6
537.32684	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	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47122	1.1
54.94283	1.2
56.02356	1.3
59.01378	56.0
60.01710	2.3
61.98830	100.0
69.73518	5.4
69.73925	2.3
71.01385	17.0
73.02939	4.9
83.01366	3.7
85.02947	5.0
87.00846	1.8
89.02440	10.7
95.01334	1.7
101.02443	11.6
113.02456	9.6
119.03490	5.6
120.01262	8.7
161.04559	3.7
179.05621	2.3
191.41574	1.3
303.49127	1.6
339.06812	1.4
362.44122	1.7
369.19083	3.4
387.20264	10.0
429.21326	6.6
441.39056	1.7
476.22156	3.7
494.23206	3.3
495.23627	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	536.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65633	0.4
59.01366	2.5
61.98827	100.0
63.99260	0.5
71.01379	0.8
71.50500	0.4
71.91183	0.4
83.36063	0.4
96.32050	0.4
117.03472	0.4
117.53582	0.4
132.02174	1.1
133.02977	1.4
134.03758	4.1
135.04543	2.4
137.02435	0.9
145.57819	0.4
147.04527	1.6
148.05020	0.6
149.06122	0.5
160.01666	4.4
161.02460	1.2
162.36757	0.4
165.05530	0.5
175.04015	3.0
179.03535	1.8
193.05005	2.0
214.44873	0.5
219.29579	0.4
221.90514	0.4
222.23323	0.4
293.21399	0.7
473.27658	2.5
537.21356	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76662	1.0
55.01872	2.4
57.03444	10.7
58.00586	2.0
59.01377	48.1
60.99308	8.9
61.98824	8.4
65.03791	1.0
66.17063	1.0
67.45651	1.1
71.01378	37.5
72.99303	2.7
73.02944	7.9
78.95892	1.9
83.01381	5.2
83.05029	2.5
85.02946	18.7
87.00870	20.3
87.04489	2.3
88.98801	56.6
89.02441	24.0
95.01358	2.3
99.00878	3.5
99.08147	24.9
101.02440	24.2
101.06102	2.2
113.02452	16.1
119.03510	6.7
123.04525	1.4
123.08148	2.3
125.02441	1.1
125.09753	1.6
127.06705	1.8
127.07646	35.8
129.05576	58.4
129.09196	1.9
137.02388	2.1
143.10768	1.4
153.05563	23.9
153.09190	1.7
159.02986	2.4
161.04562	7.8
166.08736	1.4
167.03468	2.3
171.06609	9.7
173.11765	1.2
179.05624	4.2
187.13330	2.7
194.44019	1.2
196.89720	1.1
201.15198	1.2
203.08112	1.1
216.13661	1.3
226.06100	1.3
227.03496	2.6
236.54037	1.1
241.17409	1.0
254.66624	1.2
255.02953	1.4
263.11304	7.6
274.04764	1.5
284.03201	3.2
288.04633	1.5
321.86035	1.3
373.26080	2.5
374.26294	3.7
375.27496	26.5
417.17648	2.0
435.18661	45.9
436.18900	2.6
447.09082	7.0
465.26779	1.5
536.31476	4.4
537.32837	100.0
538.33398	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	537.1552
Annotation	Agrostonin
Peak:m/z	Relative Intensity
59.01370	1.9
61.98813	1.6
69.44897	0.6
69.45306	2.1
78.95892	2.8
79.97317	0.4
89.66606	0.4
96.96010	0.4
96.96965	0.4
113.22244	0.5
136.04140	0.4
152.99541	4.0
153.99924	0.5
165.05460	0.5
211.03998	0.8
239.03404	0.5
244.47597	0.4
253.05084	0.5
344.08521	0.4
365.07980	0.7
377.08209	2.6
392.06577	0.6
393.07620	4.8
394.07974	0.6
405.07526	1.9
406.07657	0.5
408.06332	0.7
420.10001	1.6
421.07159	10.2
422.07489	0.8
423.08685	1.0
432.06262	0.9
433.07162	0.8
435.08472	1.2
436.09482	4.9
437.09998	0.5
445.06256	0.5
446.08368	0.5
448.05322	0.5
449.06598	8.2
450.06989	0.7
460.05722	2.8
463.07828	1.9
464.08936	7.3
465.09146	1.0
474.07672	0.9
475.08163	4.0
477.06210	5.8
479.11325	18.1
480.11679	1.5
490.10355	2.5
492.08475	25.6
493.08694	2.9
507.10794	23.1
508.10895	2.1
522.13171	27.2
523.13373	2.5
537.15491	100.0
538.15784	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05063	2.3
58.00585	2.4
59.01380	90.0
61.98820	11.4
71.01385	61.1
71.50195	2.8
71.50594	2.8
72.99312	5.2
75.00885	2.5
80.97060	2.6
83.01391	3.5
85.02959	11.9
87.00894	6.7
89.02452	82.9
93.03468	3.7
95.01385	3.6
99.00887	3.2
101.02444	37.8
101.10072	2.0
110.38345	2.3
113.02447	23.0
115.00404	2.7
119.03513	33.7
121.02963	6.8
122.03743	13.8
123.04591	3.5
131.03555	3.1
135.04515	2.3
143.03496	6.3
145.02994	3.7
146.03746	14.6
149.02434	24.7
149.04527	4.0
150.03232	93.3
151.03729	2.6
161.02480	3.6
161.04570	11.4
161.06050	3.8
162.03255	28.7
164.04785	16.1
165.05580	100.0
166.05870	3.2
177.05571	24.9
179.05602	20.8
179.07144	16.0
180.04262	6.6
195.06612	70.2
196.06952	2.9
238.84787	2.2
312.10132	3.5
327.12302	23.7
339.12402	3.7
357.10626	3.3
388.23752	2.5
396.26508	2.5
489.17664	5.3
502.19980	2.4
537.19830	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	537.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17213	0.3
59.01368	1.4
61.98834	1.7
69.41076	1.9
69.41500	0.7
86.40922	0.3
89.03931	0.8
93.03457	0.7
95.05016	0.4
98.20615	0.6
105.03444	0.7
109.02932	0.8
117.03461	2.6
119.05010	1.0
121.02934	3.2
122.03780	0.6
123.04529	0.6
131.05075	0.5
132.02161	11.2
133.02954	10.0
134.03729	42.4
135.04526	20.3
136.01639	0.6
136.04773	0.3
137.02441	6.8
139.04031	1.8
146.03709	0.5
147.04536	2.7
148.05316	1.9
149.02339	0.4
149.06078	3.9
150.03180	0.7
153.05583	0.8
159.04535	0.5
160.01653	42.5
161.02437	11.6
161.06049	1.5
163.03825	0.5
165.05545	1.4
173.06050	0.5
175.03987	32.4
176.04329	1.2
177.01918	0.6
177.05499	0.6
178.02667	3.0
179.03494	14.6
180.03831	0.4
188.53680	0.4
191.07103	0.7
192.04214	0.4
193.05038	14.5
194.05309	0.5
205.08643	0.6
207.06599	3.2
215.19908	0.4
249.07657	3.1
269.13925	0.6
297.11337	0.4
299.87457	0.3
328.13123	0.8
329.13922	1.6
343.15433	0.7
366.45422	0.3
380.35770	0.4
491.17075	0.8
522.19043	4.1
537.21246	100.0
538.21594	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	537.3066
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01378	100.0
61.98814	6.7
70.89687	1.7
75.67434	1.5
78.95907	2.6
83.05003	1.6
96.95975	3.0
111.87865	1.6
118.43968	1.7
125.27811	1.7
149.06053	3.7
152.99586	1.8
165.05612	1.8
171.10281	13.3
175.03822	2.3
209.11736	2.8
211.03993	2.1
217.37982	1.8
233.15442	3.0
249.14888	6.2
267.05695	2.1
269.29181	1.9
361.32709	1.7
367.80362	1.9
459.27438	11.5
463.26904	1.9
477.28629	12.0
522.13306	3.2
537.19202	4.8
537.30627	3.8
564.92371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3277
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01858	1.9
57.03440	4.9
58.00582	2.1
59.01374	50.4
60.01710	0.8
60.99311	0.7
61.98826	7.6
66.45785	0.5
69.03455	0.5
69.16261	1.1
69.16668	3.5
70.86150	0.5
71.01376	33.4
71.05006	1.0
72.01691	0.6
72.99297	1.6
73.02941	5.7
75.00842	0.5
83.01388	4.2
83.05025	0.7
85.02946	12.5
87.00871	2.0
87.04525	2.4
87.04966	0.5
88.98802	4.1
89.02437	29.9
95.01372	2.8
97.02943	0.6
97.06592	0.9
99.00879	1.9
99.08150	6.0
101.02432	22.2
101.06068	0.6
109.06593	0.8
111.00880	0.8
111.08167	0.7
113.02445	12.8
115.15250	0.4
119.02667	0.9
119.03490	13.7
121.10207	1.0
123.08098	1.4
127.07648	9.3
129.01866	0.5
129.05545	2.3
129.09186	0.8
131.03485	0.9
135.04469	0.5
137.09769	0.7
141.09207	0.8
143.03476	2.2
149.04489	1.1
151.11337	0.5
152.45233	0.4
153.05571	7.7
153.09187	1.1
155.10832	0.5
157.12321	0.9
159.02931	0.6
161.04549	5.0
169.12254	0.6
171.06624	2.1
173.11798	1.2
179.05594	5.0
179.07065	0.8
187.13371	2.1
216.13864	0.6
217.14429	5.5
253.06256	0.6
263.11301	3.0
289.05289	0.5
349.18674	1.3
357.26413	2.5
375.27454	27.2
376.27869	2.2
431.10202	0.7
435.18549	3.5
519.31641	0.8
537.32739	100.0
538.33093	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	538.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17012	0.6
59.01069	1.2
59.01375	20.0
60.99297	1.2
61.98829	100.0
71.01375	4.7
71.67528	0.7
73.61115	0.6
75.00875	1.0
78.68276	0.7
83.01386	1.2
85.02936	1.2
87.04533	0.7
88.98811	13.1
89.02429	3.4
98.19893	1.9
101.02457	2.0
113.02456	2.0
113.51533	0.6
119.03501	0.9
119.05055	2.4
127.07634	1.9
153.05560	1.1
163.03963	1.7
171.06581	1.5
224.13870	0.9
326.70447	0.7
334.08701	1.8
349.10992	1.3
377.10275	1.1
389.21640	1.3
457.21045	0.8
484.53329	0.7
537.33026	2.4
538.24646	0.7
538.33313	4.6
539.15851	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	539.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72786	0.5
59.01368	2.1
61.98819	0.9
63.43954	0.5
76.26080	0.5
76.82018	0.5
78.92226	0.5
98.20668	1.1
127.07650	0.6
151.39723	0.5
182.03673	0.8
183.04565	0.7
210.03247	1.2
211.03973	8.3
224.04712	1.4
225.05559	2.8
226.02675	1.1
227.03453	1.2
233.03952	0.5
237.01895	1.8
238.02583	0.7
239.03468	4.8
240.04221	4.6
241.04881	0.8
253.05070	4.7
254.05859	4.6
255.02980	0.6
255.06476	1.1
268.07440	1.4
278.11301	0.6
379.09793	1.2
406.08475	1.1
407.09210	2.0
422.11703	0.8
423.08441	2.4
433.07144	1.1
434.08151	0.6
435.08798	0.9
437.09836	0.7
439.12030	1.0
449.10797	0.7
450.07300	1.2
451.07993	4.5
454.14139	0.7
462.06992	0.7
465.09311	2.5
466.10330	4.1
478.06482	0.8
479.07404	2.9
481.12778	7.8
482.13110	0.7
491.11188	0.8
493.08917	3.1
494.10040	14.5
495.10339	1.2
508.11557	6.4
509.12350	18.3
510.12857	1.4
523.13965	8.7
524.14685	15.7
525.15320	2.1
539.17108	100.0
540.17419	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	539.1702
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
53.72786	0.5
59.01368	2.1
61.98819	0.9
63.43954	0.5
76.26080	0.5
76.82018	0.5
78.92226	0.5
98.20668	1.1
127.07650	0.6
151.39723	0.5
182.03673	0.8
183.04565	0.7
210.03247	1.2
211.03973	8.3
224.04712	1.4
225.05559	2.8
226.02675	1.1
227.03453	1.2
233.03952	0.5
237.01895	1.8
238.02583	0.7
239.03468	4.8
240.04221	4.6
241.04881	0.8
253.05070	4.7
254.05859	4.6
255.02980	0.6
255.06476	1.1
268.07440	1.4
278.11301	0.6
379.09793	1.2
406.08475	1.1
407.09210	2.0
422.11703	0.8
423.08441	2.4
433.07144	1.1
434.08151	0.6
435.08798	0.9
437.09836	0.7
439.12030	1.0
449.10797	0.7
450.07300	1.2
451.07993	4.5
454.14139	0.7
462.06992	0.7
465.09311	2.5
466.10330	4.1
478.06482	0.8
479.07404	2.9
481.12778	7.8
482.13110	0.7
491.11188	0.8
493.08917	3.1
494.10040	14.5
495.10339	1.2
508.11557	6.4
509.12350	18.3
510.12857	1.4
523.13965	8.7
524.14685	15.7
525.15320	2.1
539.17108	100.0
540.17419	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	539.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
61.98820	2.8
71.41904	1.2
71.42253	0.8
92.66227	0.7
155.75531	0.8
158.03735	1.8
161.02429	1.7
165.85809	0.7
170.03705	0.9
182.03716	1.4
183.04462	3.4
185.02409	3.8
197.02440	1.7
197.06079	2.2
198.03285	1.5
211.03995	10.7
212.04680	2.2
212.08414	5.6
213.05499	1.1
224.04778	2.6
225.01932	2.7
226.02721	11.1
227.03560	4.2
227.07066	2.8
237.01971	6.2
238.02663	2.4
239.03500	21.1
239.07156	2.1
240.04277	3.8
240.07899	22.7
241.05058	3.8
241.08353	0.9
251.03297	1.2
253.01407	16.6
253.04900	2.0
254.02147	4.1
255.03017	10.0
255.06494	4.0
255.10249	31.4
256.10513	1.8
257.01273	0.8
259.10153	0.7
268.03784	3.7
269.04538	24.9
270.05002	1.0
283.06104	22.3
284.06686	1.7
303.19608	2.5
309.86230	0.9
379.09927	1.7
422.11655	1.0
429.40103	0.8
435.08777	1.0
438.11197	1.1
449.10394	1.2
450.10660	1.1
466.10635	4.5
481.12979	2.2
494.10077	7.8
509.12402	56.2
510.12738	6.0
524.14734	100.0
525.14960	10.6
539.17334	13.2
540.17627	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
61.98828	3.9
71.01387	4.3
73.02956	2.4
74.17566	0.4
83.01373	0.8
85.02956	1.5
85.50775	0.5
87.04513	4.4
89.02441	0.9
93.03421	0.6
95.01382	0.8
98.19922	1.0
99.08146	0.6
101.02437	2.6
106.45370	0.5
113.02450	1.5
117.03467	9.5
119.05028	14.6
120.05308	0.7
120.79243	0.5
121.02972	0.7
123.04597	0.6
125.02386	0.6
127.07652	92.7
128.08008	3.1
132.05824	0.4
133.06633	2.2
135.04507	0.5
136.01666	2.2
136.48654	0.5
137.02446	25.6
138.02832	0.5
143.07112	0.5
145.02956	36.1
145.08693	1.1
146.03340	1.3
147.04521	0.9
153.05484	0.6
156.69351	0.6
158.03745	0.5
159.04517	3.0
161.04741	1.0
161.06055	4.9
161.30959	0.4
163.04018	9.9
163.05275	0.9
171.06627	100.0
172.06924	3.0
175.02444	0.7
177.05580	1.3
181.05011	1.0
187.04013	13.1
187.05930	1.1
194.95169	0.4
205.05061	2.5
217.04890	0.7
226.06258	0.7
239.07172	0.7
240.07867	0.8
241.08629	3.0
267.06940	0.5
307.08209	1.8
331.13937	0.6
367.10342	5.2
377.10269	15.3
378.10620	1.3
495.18924	1.1
539.17603	22.8
540.17883	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01359	0.5
54.75052	0.6
59.01375	4.0
60.34174	0.5
61.92839	0.6
61.98838	1.0
71.01382	2.3
73.02949	2.3
93.03456	2.1
98.20702	0.9
99.08147	1.1
101.02457	1.2
113.02446	0.7
117.03463	5.0
118.92757	0.6
119.05034	15.2
121.02949	0.8
127.07657	100.0
128.08006	2.3
131.05046	0.9
133.06583	2.9
145.02953	27.3
145.08792	1.2
146.03366	0.8
147.04463	0.7
159.04526	2.1
161.06062	5.6
163.04012	12.9
167.22569	0.6
171.06627	98.3
172.07030	2.8
177.05557	3.5
187.03984	11.3
205.05066	6.7
217.04890	0.6
217.34967	0.5
237.65027	0.6
307.08163	1.5
329.14230	0.6
331.14084	0.7
367.10324	6.6
406.52411	0.6
495.18741	1.6
539.17700	23.2
540.17847	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	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98826	1.7
64.45315	0.5
70.17332	0.4
71.01375	2.9
71.50308	0.8
73.02949	1.6
83.01416	0.8
85.02914	0.5
93.03456	1.0
94.81499	0.4
99.08153	0.7
101.02437	1.1
109.15305	0.5
113.02436	0.7
115.92132	0.5
117.03460	7.8
119.05022	12.0
120.05307	0.4
126.61806	0.5
127.07651	85.8
128.07986	2.0
131.05019	0.7
132.05817	0.7
133.06548	2.1
134.03714	0.6
145.02948	33.2
146.03291	1.0
147.04526	0.6
149.06104	0.6
153.05496	0.6
158.03775	0.8
159.04460	2.7
161.02368	1.0
161.06076	3.5
163.04012	9.3
171.06619	100.0
172.06987	2.7
173.05971	0.5
177.05537	1.7
187.02306	0.7
187.04001	13.1
205.05017	3.3
233.15388	0.5
241.08549	0.9
307.08148	1.4
349.09256	0.9
349.14865	0.7
367.10336	4.7
380.44141	0.5
539.17603	21.2
539.28741	1.2
540.17975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.5
59.61561	0.5
61.98827	3.4
69.25617	0.9
69.26026	3.8
71.01379	2.0
73.02945	1.9
83.01367	0.7
87.63312	0.4
93.03457	1.4
99.08165	0.9
100.75088	0.5
101.02434	0.6
103.59363	0.5
111.00865	0.4
117.03448	5.2
119.05027	16.0
123.04520	0.7
127.07642	96.5
127.74167	0.5
128.07982	2.2
131.05077	0.5
133.06590	2.8
135.04541	0.5
145.02942	22.3
145.08688	0.8
147.04543	1.1
149.06068	0.5
158.03705	0.6
159.04497	2.1
160.77521	0.7
161.06075	4.3
163.04002	12.5
171.06610	100.0
172.06972	2.8
172.94304	0.5
177.05568	3.2
187.03972	10.7
205.05003	6.9
231.37596	0.5
294.23389	0.5
307.08176	1.3
349.09467	0.9
349.14819	0.9
367.10312	7.1
479.00363	0.7
495.18735	0.9
539.17627	21.9
540.17816	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	539.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21473	0.3
51.59820	0.3
59.01380	43.4
61.98829	0.6
69.15546	0.3
69.15847	3.4
71.01390	0.5
79.65264	0.3
81.09899	0.3
98.20678	0.7
109.94096	0.3
127.07664	1.2
139.19823	0.3
167.14384	0.4
171.06613	0.9
174.26971	0.3
183.13921	4.0
193.12305	1.2
211.13393	100.0
212.13756	3.5
296.47311	0.4
373.18726	0.9
378.85678	0.3
481.16925	0.7
509.69092	0.4
539.16504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	52.0
62.13881	16.3
69.31509	100.0
69.31918	47.4
75.95343	20.2
76.38291	15.4
78.95907	18.8
104.03599	15.2
125.09708	22.6
150.07405	16.3
151.80833	16.9
154.11983	18.1
162.47783	18.6
189.66747	15.8
228.79684	17.1
295.22812	21.3
312.51917	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	539.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56950	1.1
55.01864	4.4
57.03436	7.0
58.00586	2.1
59.01376	91.4
60.99284	1.3
61.98830	9.6
69.03448	1.9
69.43868	7.0
69.44183	2.0
71.01378	58.8
71.04996	1.0
72.01707	0.9
72.99294	4.2
73.02947	15.7
75.00858	1.6
81.03396	1.0
83.01383	11.5
85.02947	27.1
86.00069	1.3
87.00880	5.3
87.04519	4.5
88.98777	2.7
89.02438	24.1
92.28996	0.9
93.63507	1.0
95.01369	6.2
97.02891	2.4
98.20625	2.1
99.00881	6.4
101.02439	40.3
111.00891	4.6
112.01659	2.2
113.02440	23.7
113.45010	1.0
119.03496	8.7
124.01630	2.1
125.02462	6.3
129.01950	2.0
143.03499	7.4
159.02969	3.5
161.04559	8.0
169.12280	1.4
173.11780	1.2
179.05583	2.0
187.13383	2.9
269.76208	1.1
271.04385	1.5
280.74106	1.0
289.05228	2.1
290.05594	2.3
317.19644	2.8
335.20795	8.0
377.28949	22.1
378.29358	2.1
394.83804	1.2
413.21500	3.2
443.23132	1.2
479.24951	73.5
480.25381	5.9
497.26022	55.2
498.26236	3.9
539.34259	100.0
540.34955	8.2
562.45532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64539	0.5
55.01863	1.8
57.03444	4.6
58.00589	1.5
58.63751	0.6
59.01378	31.7
61.98832	1.0
69.15746	5.6
71.01381	24.8
72.99290	1.6
73.02935	5.5
74.93874	0.5
78.95882	0.9
82.88588	0.5
83.01385	3.9
85.02940	11.2
87.00880	1.6
87.04507	3.8
89.02449	13.6
95.01378	2.5
99.00857	2.3
99.08125	0.6
101.02437	17.4
111.00846	2.0
113.02451	8.5
119.03519	4.4
123.04475	0.6
123.08132	1.1
141.09215	1.3
143.03474	1.2
153.09190	1.1
159.03043	1.1
161.04549	1.9
169.12271	0.8
173.11766	1.0
179.05650	1.3
187.13376	2.0
217.14386	1.6
289.05411	0.8
359.27664	0.6
362.31937	0.6
375.27347	3.0
377.29050	21.1
378.29211	1.4
479.25021	6.2
497.25888	4.0
539.34320	100.0
540.34668	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	540.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01377	13.5
61.98828	90.2
63.32994	1.7
63.72812	1.8
70.44843	1.9
71.01363	6.2
78.45553	1.7
83.01407	1.7
85.02938	4.4
89.02429	5.9
101.02428	4.2
116.31564	1.8
119.03489	2.4
145.88045	1.6
150.06828	4.2
151.00314	2.7
152.07155	2.9
153.53069	1.6
172.69946	1.8
179.05612	3.1
195.46455	1.7
201.23111	1.9
242.02159	3.1
243.02885	19.4
257.04520	6.6
264.99377	1.9
270.01730	5.0
271.02457	22.8
272.02814	1.8
285.04016	12.7
286.04709	3.1
299.01859	10.3
300.02686	3.2
314.04288	42.4
315.05048	9.9
358.85175	1.9
377.28848	3.7
387.50934	2.3
477.10330	100.0
478.10696	9.8
539.34204	20.1
540.34430	8.9
541.26624	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	540.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
61.98827	100.0
71.01379	2.5
75.00870	1.0
78.98579	1.1
79.95737	2.0
80.96514	16.5
94.98118	2.8
98.20656	2.3
98.64584	0.7
101.02439	1.1
106.98140	1.2
122.97623	1.2
125.02452	1.3
133.18608	0.7
134.97572	0.9
136.05382	0.7
148.58041	0.8
148.99141	1.0
152.98622	1.9
164.98636	3.1
225.00641	4.7
225.27036	0.8
229.24081	0.8
241.21687	1.3
277.21750	1.1
377.89905	0.7
400.19107	0.7
455.26706	2.6
541.26813	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45156	6.9
59.01377	92.6
61.98814	22.0
71.01381	41.4
71.50317	7.1
73.02937	31.7
81.66022	6.9
83.01425	10.0
85.02927	9.8
89.02423	19.5
95.01428	6.4
96.96027	11.0
101.02448	39.6
101.03017	7.1
113.02419	15.1
113.95726	6.4
121.95256	7.8
125.51211	7.0
129.71671	6.6
148.50296	7.7
162.41499	7.2
184.76662	6.9
243.17451	9.5
253.09326	10.1
255.06436	10.4
287.16489	26.6
293.21268	16.3
305.17587	57.8
437.25327	15.2
455.26440	27.1
455.58386	6.7
497.27585	100.0
498.27444	8.4
526.16150	11.6
541.18311	13.4
541.26270	28.5
563.41217	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	541.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76803	0.4
53.14587	0.4
54.25525	0.4
56.08865	0.5
59.01375	1.1
61.98827	15.7
63.96228	0.8
67.90672	0.4
70.35015	1.3
71.01379	6.1
73.02943	1.2
78.98592	4.6
79.95737	8.8
79.96202	0.5
80.96512	58.3
81.03454	0.7
85.02958	1.7
87.00883	2.9
94.98083	13.2
96.96008	1.0
97.02938	1.0
98.07674	0.5
101.02455	2.4
106.98083	2.5
122.97591	4.2
125.02444	2.9
127.03973	0.7
134.97586	4.0
136.99130	1.0
148.99132	5.0
152.98621	6.3
164.98621	9.9
182.99658	1.6
206.99669	2.6
214.33316	0.4
218.94679	0.4
225.00725	14.3
241.21690	3.6
243.01772	1.5
277.21747	0.8
299.04428	2.3
333.83688	0.4
357.87421	0.4
541.26843	100.0
542.27216	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	541.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40054	0.6
52.72984	0.5
59.01384	0.9
61.98820	4.3
63.96241	0.7
71.01376	6.0
71.50937	0.7
78.95934	1.1
78.98578	4.5
79.95737	8.2
80.96511	56.8
81.03482	0.6
85.02946	2.2
87.00861	2.3
92.94187	0.6
94.98079	13.9
96.95960	0.8
97.02952	1.0
101.02438	2.4
106.98077	3.2
121.58145	0.6
122.97558	2.2
125.02399	2.5
127.03996	1.2
134.97578	4.3
136.99109	1.2
148.24686	0.8
148.99144	4.6
152.98604	5.1
152.99648	1.0
164.98613	9.9
206.99657	2.1
225.00702	14.1
241.21680	1.8
244.04575	0.7
255.23184	7.7
269.22815	0.6
277.21683	2.2
299.04254	3.4
373.09024	0.6
401.02039	0.6
405.17911	0.7
482.15689	1.0
483.27026	3.4
541.26819	100.0
542.19556	1.0
542.27167	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
60.99304	13.7
61.98815	0.8
71.01373	1.3
71.50949	0.7
73.02924	0.6
74.27761	0.4
81.35930	0.4
87.00936	0.4
88.00405	0.6
88.98801	100.0
89.02444	2.9
89.99154	0.6
96.95999	0.7
101.02449	1.4
111.00903	0.4
111.99871	0.4
128.33835	0.4
144.76036	0.5
179.40059	0.4
286.25922	0.5
377.16269	0.5
461.17090	0.5
509.17865	0.5
564.58710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78069	0.5
56.58524	0.5
57.03451	5.0
59.01376	13.5
61.23056	0.4
61.98826	100.0
62.91383	0.5
69.41138	3.6
71.01374	3.5
72.05710	0.4
73.02928	0.8
83.01381	0.9
85.02949	1.4
87.04508	2.3
88.68085	0.4
89.02438	2.1
89.19321	0.4
90.51175	0.6
91.60560	0.4
95.01420	0.5
98.19858	0.7
99.08167	0.5
100.08384	0.5
101.02434	1.5
103.04008	74.6
104.04330	1.3
104.53262	0.4
113.02460	2.4
114.40497	0.5
119.03444	0.8
127.07610	0.8
129.05563	0.5
161.04482	0.9
163.03973	0.5
180.92563	0.4
196.57822	0.4
207.95042	0.4
212.06564	0.5
226.06177	0.5
471.94583	0.5
501.30200	0.9
542.25964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
59.01382	12.5
61.98830	100.0
65.60055	0.6
67.63108	0.6
69.15402	6.7
69.17391	0.7
71.01390	2.8
85.02967	1.8
87.04512	3.4
89.02442	1.5
98.20659	1.2
99.00848	0.6
99.08134	0.6
101.02457	1.2
103.04012	74.1
104.04368	1.5
113.02457	1.5
119.03549	0.7
119.05080	0.8
127.07613	1.0
129.05603	1.1
179.05690	0.7
229.98476	0.9
234.00168	0.6
302.48898	0.8
483.29471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78336	0.3
52.50755	0.3
57.03451	0.5
59.01375	5.3
61.98827	100.0
67.84744	0.3
69.18598	3.2
71.01382	2.3
71.35534	0.3
73.02946	0.5
81.03471	0.3
83.01401	0.7
85.02969	0.8
85.04139	0.3
87.00888	0.3
89.02433	2.3
95.05042	0.4
97.02953	0.5
97.06583	0.8
97.78377	0.3
101.02427	2.6
104.12020	0.4
108.02208	0.3
113.02464	1.1
119.03506	0.9
121.06613	0.3
123.04555	0.9
125.09753	0.8
135.08194	0.4
137.09735	0.9
141.81488	0.3
143.03392	0.4
147.43396	0.3
161.04559	0.7
163.11351	1.5
179.05621	0.4
185.11827	1.7
191.14415	1.8
207.10287	0.8
209.11812	2.9
211.13466	0.8
212.13895	0.4
225.11298	0.6
227.03625	0.3
237.09172	0.5
237.11250	2.0
245.19058	3.7
253.09280	7.3
255.03130	0.3
263.20285	1.1
271.17169	0.6
285.03943	0.4
289.18076	19.2
307.19138	19.3
336.49112	0.4
420.69354	0.3
426.32693	0.4
426.39127	0.3
532.29034	0.3
542.19177	0.9
543.28290	0.8
555.37207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11251	0.6
52.21559	0.8
59.01363	3.1
61.98827	8.9
65.00309	3.0
71.01366	1.9
71.50362	0.7
77.83081	0.7
79.95719	2.1
81.03419	1.0
83.01369	1.4
89.02454	0.9
93.03459	6.3
101.02395	1.0
109.02951	0.9
115.81265	0.6
119.05029	2.9
125.02445	5.5
137.02452	6.1
143.04968	1.2
145.06606	1.5
147.04524	7.5
151.00371	5.5
163.00320	1.5
163.07588	0.8
169.06606	0.8
171.04498	20.4
175.00356	0.9
178.99753	0.7
187.03934	1.1
189.05595	4.3
201.05594	1.1
213.05547	1.1
215.06914	1.0
229.05057	0.9
231.06598	25.2
232.06808	1.0
243.06606	9.8
257.04532	23.6
258.04852	1.1
269.04477	4.0
281.04587	4.9
295.09787	0.8
300.02618	2.8
301.03555	3.6
333.07431	2.0
334.08185	1.1
336.09964	3.3
337.10782	13.3
345.15497	3.2
362.07877	3.6
363.08676	12.5
364.09033	1.2
368.08780	1.1
380.08972	3.9
380.99136	3.9
381.09909	3.3
437.10867	2.5
543.04651	9.7
543.14972	100.0
544.04712	1.2
544.15277	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	543.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55021	0.3
55.01867	0.4
57.03205	0.3
57.03450	4.9
59.01381	14.2
59.95507	0.3
61.98819	1.8
69.03449	0.6
71.01382	6.3
71.05016	1.2
71.50413	0.4
72.99268	0.4
73.02946	1.6
80.31677	0.3
81.03452	1.1
83.01389	1.2
83.05021	1.1
85.02953	1.7
87.00878	0.9
87.74750	0.3
88.98722	0.3
89.02446	5.0
93.03492	0.4
95.01381	0.6
95.05030	2.1
97.06577	0.3
98.03723	0.6
99.00871	0.5
99.08159	17.8
100.08496	0.3
101.02444	5.5
105.03465	0.6
106.04282	0.4
109.02954	0.4
109.06586	7.5
110.58154	0.3
111.04540	2.7
111.08144	0.9
113.02448	3.0
119.03487	1.3
119.05005	1.7
121.02959	0.4
121.06552	0.5
123.04523	38.7
123.08141	0.9
124.04822	0.6
125.02374	0.6
127.07650	24.7
128.07973	0.5
129.05576	6.9
129.09264	0.3
133.01453	0.4
133.02943	1.5
135.04530	0.4
135.08122	0.5
137.02457	0.4
137.06056	0.4
137.09798	0.7
138.03178	0.5
143.03467	0.4
143.10757	1.2
145.06587	1.9
149.02431	0.4
149.06033	0.7
149.09673	0.8
151.11218	0.5
153.05574	19.8
154.05859	0.5
161.04539	2.4
163.04001	2.1
167.10739	1.9
171.06615	5.5
177.12813	0.6
179.03493	0.4
179.05595	1.0
179.10774	0.8
181.12315	0.6
185.96652	0.3
189.07698	0.7
195.13899	3.4
199.07471	0.3
201.09210	0.4
203.10786	0.6
229.08759	0.4
235.08231	0.6
235.13383	1.1
245.19130	3.8
251.16541	0.5
253.09270	17.0
271.16995	1.1
273.15063	0.5
275.09189	0.9
287.16611	1.5
289.18079	100.0
289.80051	0.3
290.18399	4.6
307.19122	5.4
327.10861	1.2
446.12012	0.9
483.29572	0.6
499.18375	0.5
501.30518	0.6
525.27618	0.5
543.19067	0.6
543.31281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20783	0.7
57.03452	10.8
59.01379	2.3
61.98827	3.0
69.47217	4.8
71.01382	1.9
79.66253	0.7
85.02959	1.1
86.95615	0.7
93.66538	0.8
95.05043	3.1
99.08163	44.0
101.02483	0.8
105.03452	1.7
109.06590	1.4
116.61436	0.7
123.04533	100.0
124.04886	2.2
127.07659	55.5
128.08006	1.9
129.05591	18.6
138.03265	1.2
149.02449	1.2
153.05583	48.1
154.05894	1.1
171.06635	14.0
189.07687	1.7
220.56058	0.8
327.10806	4.2
355.76675	0.8
379.45187	0.9
441.11450	0.9
457.17450	0.9
484.55176	0.8
499.18304	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	543.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26110	1.2
55.19382	1.0
57.03445	12.6
59.01376	9.0
61.98832	12.7
69.22398	5.8
69.22821	4.5
69.48222	1.1
71.01381	3.3
73.02947	2.1
80.96510	1.9
88.51986	1.2
89.02441	1.8
95.05013	2.4
98.88120	1.1
99.08157	66.1
99.28330	1.1
100.08498	1.8
101.02404	1.7
115.00309	1.7
123.04519	100.0
124.04865	2.7
127.07647	70.0
128.08046	2.4
129.05579	69.8
133.01421	2.7
138.03090	1.3
153.05569	45.5
154.05870	2.6
171.06638	18.9
189.07722	3.5
290.05402	1.3
302.95544	1.2
327.10858	4.7
351.12253	1.2
457.16925	2.6
499.18311	7.1
543.21680	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	543.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06508	0.5
57.01846	0.6
59.01377	20.8
60.77531	0.7
61.98829	27.7
68.99808	2.6
69.03459	1.5
69.92649	2.5
71.01380	6.7
73.02945	2.3
83.01374	1.0
83.05051	0.8
85.02940	2.6
87.00872	5.0
89.02464	3.6
89.28178	0.6
95.01376	2.0
101.02441	4.5
105.81623	0.6
109.02923	1.0
111.00859	0.8
113.02484	4.5
119.03529	1.6
123.04508	2.9
127.07665	1.6
129.05556	0.8
130.04239	1.0
145.06593	0.7
146.03717	1.6
147.04503	0.7
149.06070	1.7
155.05002	1.1
158.03722	2.0
159.04506	9.9
161.04558	3.3
161.05856	0.7
163.11363	0.6
171.04491	0.8
172.05304	15.3
173.06059	17.8
174.03300	0.9
174.06747	1.8
175.07622	1.4
179.05649	0.7
183.04477	3.9
184.05280	1.1
185.06033	1.1
185.09686	0.6
186.06802	1.1
187.04066	10.6
187.07635	79.3
188.07970	3.0
189.05530	4.3
189.09183	1.3
197.06052	1.4
198.06825	0.7
199.03952	2.8
200.04805	6.3
201.05577	20.7
201.09180	4.4
202.06354	15.1
202.09956	0.7
203.06882	0.8
203.10704	3.1
204.04289	2.3
209.08228	0.7
209.11792	4.4
211.07603	1.1
211.13553	0.6
213.05806	1.1
213.09186	16.7
215.07117	25.5
216.07773	2.4
226.06297	0.9
227.03491	4.6
228.04250	4.4
228.08116	0.6
229.08675	15.3
230.09323	1.3
231.06686	18.8
231.10225	46.2
232.03793	1.7
232.10582	1.9
238.86906	0.6
241.08804	1.2
245.04512	10.7
253.09215	2.5
257.08188	24.4
258.08530	1.3
275.09247	100.0
276.09619	4.9
289.18182	4.6
307.19116	13.5
307.22595	1.1
308.19427	0.7
381.13464	2.3
393.15408	1.0
405.79953	0.6
437.14487	2.0
474.20670	0.8
483.29950	2.0
499.16156	4.0
501.30701	0.9
543.18787	34.5
543.27942	5.1
544.18756	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2571
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.28695	1.6
54.65203	1.5
59.01366	7.6
60.10086	1.7
61.98824	17.1
71.50768	2.3
78.95901	59.4
96.96962	10.7
120.25490	1.7
126.37252	1.7
139.15027	1.6
152.99573	96.5
158.03203	1.8
158.89456	1.6
171.00757	2.0
214.77744	1.6
223.00090	8.4
227.20160	82.0
228.20497	3.3
241.01181	24.9
301.45663	1.6
315.04895	15.6
502.18594	1.9
518.20416	2.4
542.18091	2.0
543.19476	4.2
543.25745	100.0
544.25952	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	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35508	0.5
55.01867	0.9
56.71051	0.5
57.03429	1.9
58.00579	1.0
59.01379	20.5
61.98829	31.3
64.80456	0.6
68.97729	0.5
69.03435	1.1
70.65008	1.5
70.65342	0.5
71.01010	0.9
71.01378	11.4
72.99281	1.2
73.02914	1.9
74.49778	0.6
77.67782	0.5
80.02680	0.8
80.92613	0.5
81.03442	1.9
83.01381	2.8
83.05006	1.8
85.02934	3.8
87.00856	2.0
89.01951	0.6
89.02452	11.4
95.01382	1.2
95.05015	1.8
97.02948	3.0
97.06593	6.2
99.00880	0.9
101.01803	0.9
101.02440	14.2
109.06577	0.9
110.03736	0.8
113.02450	5.6
113.06059	0.6
119.03475	3.0
119.08662	0.7
121.06593	1.2
123.04544	2.8
123.08144	1.5
125.02374	0.7
125.06022	0.5
125.09719	5.8
127.07672	0.7
134.70767	0.5
135.08159	1.1
137.06061	0.8
137.09743	4.5
141.12865	1.3
143.03485	1.0
145.06612	0.8
147.04488	1.7
149.06050	1.1
151.11232	0.8
161.04515	4.5
161.09702	0.7
163.11290	6.8
165.12854	1.7
171.10303	1.3
174.01711	1.1
175.11148	0.6
177.12825	0.7
179.05594	2.0
179.10732	0.8
181.12331	1.6
185.11790	7.7
186.12196	0.6
191.10762	1.5
191.14423	9.5
193.12349	1.0
207.10210	4.6
209.11812	19.2
210.12135	1.0
211.13368	2.3
217.15912	1.3
225.11324	3.4
235.08191	0.9
237.11310	12.9
238.11745	0.6
245.19073	18.2
246.19435	1.2
247.16801	0.7
253.09267	41.6
254.09561	1.1
256.00827	0.6
261.18787	0.6
263.20084	7.2
271.17041	3.5
281.21286	1.2
289.18079	100.0
290.18433	6.4
307.19131	98.1
308.19492	7.3
325.20209	0.9
401.21735	1.3
445.20990	0.7
524.71991	0.6
525.27039	0.7
531.06842	0.5
543.27545	4.5
544.28314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36466	0.9
57.03452	6.5
59.01377	35.6
60.16069	0.9
61.98825	11.9
69.61092	6.0
71.01379	13.9
73.02948	2.1
74.02454	0.9
74.40490	1.1
75.42969	0.9
81.03482	1.0
83.01385	2.5
83.05034	1.9
85.02955	4.9
86.70829	1.0
87.00874	1.6
89.02441	11.7
93.03468	1.3
95.05036	1.4
97.02924	2.4
97.06603	1.2
99.00900	1.5
99.08156	25.1
101.02443	11.3
109.06582	1.7
113.02447	6.7
119.03491	3.7
119.05010	6.4
120.26140	0.9
123.04526	9.2
125.02539	1.0
125.09714	4.8
127.07655	25.8
129.05580	29.2
133.02972	6.5
135.04445	1.1
137.09702	3.7
153.05576	16.0
161.04532	4.1
163.04053	6.8
163.07672	1.1
163.11227	5.7
165.12837	1.2
171.06644	6.3
179.05626	3.8
179.10713	1.3
181.12309	1.5
185.11839	7.7
189.07622	1.9
191.14435	8.4
206.99142	1.3
207.10239	4.2
217.15862	1.4
225.11299	4.2
245.19080	15.6
253.09267	25.7
271.16989	2.1
271.79797	1.0
273.04031	1.5
289.18082	100.0
290.18314	5.8
307.19131	42.8
308.19336	1.7
330.91510	1.2
371.20947	1.5
446.12048	4.0
456.68362	1.1
483.29520	1.7
501.30844	1.9
525.27051	1.4
543.28174	12.8
544.28485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
57.29889	0.5
59.01379	19.0
61.98825	2.4
69.03428	0.5
70.78871	1.2
71.01377	7.1
71.05022	2.2
73.02937	1.8
81.03452	1.2
83.01392	0.9
83.05011	0.8
85.02953	3.1
87.00891	0.7
89.02448	5.6
95.05010	1.4
98.03732	0.6
99.00838	0.6
99.08163	6.8
101.02438	6.9
109.06593	6.7
111.04529	3.0
111.08134	1.0
113.02441	4.1
119.03481	1.8
119.04999	1.0
121.06616	0.9
123.04529	13.1
123.08178	0.9
127.07655	9.8
129.05560	3.1
133.02960	1.1
135.04536	1.2
137.02524	0.5
143.03534	1.0
143.10721	1.1
145.06619	1.3
149.09732	1.0
153.05571	7.2
161.04558	2.4
163.03993	2.1
167.10783	1.0
171.06604	2.0
179.05624	0.7
179.10753	0.6
187.07632	0.9
189.07693	1.1
195.13869	2.1
196.86905	0.6
199.88313	0.7
203.10840	0.8
245.19028	3.3
247.09758	1.3
251.16576	0.8
253.09276	15.9
271.17090	0.8
275.09235	1.9
279.45148	0.5
287.16467	1.6
289.18085	100.0
290.18466	5.4
306.77353	0.6
307.19177	6.1
327.10883	0.8
446.12189	1.2
483.29681	1.2
501.30710	0.8
543.19293	2.6
543.30853	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	543.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01370	3.9
59.99866	0.3
61.98831	2.2
69.03449	0.4
71.01376	3.8
73.02934	1.1
78.95894	0.6
83.01374	1.1
83.05011	0.4
85.02956	2.2
87.00901	0.3
89.02439	1.7
99.00883	0.6
101.02428	3.2
103.04018	0.5
113.02426	1.1
117.30976	0.4
119.03503	1.4
121.05056	0.6
145.05051	0.7
150.58438	0.3
152.99559	0.5
163.06107	1.1
163.07529	0.4
187.06042	1.8
234.21622	0.3
259.20370	0.4
265.09311	3.5
275.20157	0.4
277.21698	100.0
278.22028	5.7
283.10315	2.2
291.19272	0.4
309.20682	0.4
360.61951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57216	0.5
59.01379	10.0
61.98824	2.0
71.01382	10.7
71.50282	0.6
72.99310	0.6
73.02948	3.7
73.78185	0.5
77.47875	0.5
83.01373	1.9
85.02957	3.9
87.00964	0.5
88.60189	0.5
89.02440	8.5
95.01437	0.6
99.00919	0.6
101.02447	8.7
113.02446	2.6
119.03482	3.1
121.05068	6.9
141.38243	0.5
143.03461	0.7
145.05049	1.2
161.04567	1.8
163.06134	1.2
163.07559	0.7
176.94885	0.6
179.05600	1.0
187.06073	1.4
191.02016	0.5
205.06972	0.5
265.09299	5.8
277.21710	100.0
278.22021	4.2
283.10315	10.2
291.23288	2.2
309.20825	0.7
383.70493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97187	0.7
53.09226	0.6
54.24818	0.7
54.75935	0.7
59.01377	100.0
61.98835	1.3
70.36671	2.7
78.86712	0.7
86.35973	0.7
86.96999	0.9
89.02422	1.2
110.98676	0.7
131.03537	1.1
143.17209	0.7
145.86363	0.7
148.08554	0.7
149.04507	1.1
152.99638	1.1
156.72221	0.8
201.53714	0.8
223.08261	5.5
252.27881	0.8
277.21698	76.5
278.22153	3.8
362.31168	0.8
391.99289	0.8
401.03342	0.8
451.28656	0.9
480.30475	0.8
510.25693	1.1
543.27246	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	544.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59515	15.2
59.01341	30.2
59.73856	14.6
61.98812	37.6
69.63661	14.6
71.51357	18.6
72.03845	14.7
74.02501	30.0
78.95904	100.0
123.04498	27.5
152.99644	84.1
183.82349	16.1
205.83488	17.0
210.06786	21.4
256.23535	41.1
300.81494	23.0
404.26056	18.9
423.42459	17.3
481.16495	50.6
484.27936	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.2
60.55270	6.8
61.18249	5.7
61.98825	100.0
62.10163	5.5
68.10940	5.8
70.36411	8.0
70.36766	19.3
78.95895	17.0
83.02356	5.5
84.75543	6.0
96.95927	6.2
138.18349	6.6
152.99561	17.8
181.44626	6.6
208.30209	8.9
213.05545	14.4
241.04990	27.4
458.79004	7.1
466.13861	11.0
481.16589	95.6
482.17194	8.7
553.65875	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	544.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	19.1
61.98541	7.1
61.98835	100.0
71.50926	10.3
72.02357	6.1
73.13324	5.8
74.60284	4.9
108.62817	5.8
209.11908	6.2
325.94000	5.5
357.35474	5.8
412.55255	5.7
415.68427	6.1
544.29584	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	544.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26017	5.5
57.84076	7.0
59.01381	15.1
61.98827	100.0
69.37490	29.0
69.37897	15.3
97.01321	5.9
113.02358	6.4
121.03004	6.0
121.99816	5.8
122.33625	5.7
179.45802	6.0
249.18559	52.0
253.09277	14.5
481.16626	25.8
513.18665	6.4
544.32758	7.5
545.21606	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	545.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88628	0.5
57.03446	10.9
59.01372	4.9
71.01377	3.5
73.02948	1.0
85.02951	1.1
87.00876	1.3
95.05025	1.5
99.08150	55.6
100.08475	0.7
101.02446	2.1
105.01928	16.0
105.03460	1.9
109.06564	1.1
110.57155	0.5
113.02405	1.4
122.94762	0.7
123.04515	100.0
124.04829	2.2
127.07645	63.2
128.07957	2.0
129.05574	23.1
130.44211	0.6
138.03201	1.2
147.02979	2.6
149.02452	0.9
153.05562	55.4
154.05908	1.4
159.03036	0.7
161.04538	7.1
171.06612	16.1
189.07683	3.6
195.89844	0.6
277.09335	1.3
285.09766	22.8
286.10147	1.2
439.15750	1.0
457.17108	24.9
458.17084	1.5
545.18738	17.3
546.19110	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	545.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.1
59.01379	20.8
69.41383	6.9
70.81917	0.8
71.01376	3.3
72.99306	4.5
75.00891	2.2
87.00879	14.2
95.01352	1.0
95.05036	2.0
99.08153	37.6
101.02432	1.2
105.01929	100.0
106.02266	1.3
113.02448	1.6
123.04518	83.4
124.04903	2.2
127.07646	48.9
128.08047	1.2
129.05577	17.4
147.02979	23.9
153.05566	49.8
157.22519	0.9
161.04541	6.7
171.06630	11.8
189.07738	2.9
279.57156	1.0
285.09772	19.2
286.10028	1.0
439.15897	1.2
441.42496	1.1
457.17105	37.9
458.17487	3.9
468.18881	0.9
545.18701	19.8
546.18732	1.2
549.29279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.3
59.01378	13.0
70.59005	2.2
70.59344	1.4
71.01381	7.8
72.99309	3.3
73.02937	1.6
75.00868	23.7
83.01357	1.0
85.02943	2.7
87.00854	6.0
89.02437	3.9
90.71976	1.0
92.90523	0.9
96.96034	2.0
98.20036	1.0
99.08160	34.4
101.02431	4.2
105.01929	100.0
106.02269	1.1
111.00894	3.9
113.02428	3.5
115.00345	2.5
119.03483	2.4
123.04520	44.2
127.06701	2.1
127.07645	43.4
128.07965	1.0
129.05576	63.2
130.05869	1.4
133.62938	1.0
140.52724	1.0
153.05563	12.6
155.17648	0.9
161.04564	4.0
166.65100	0.9
171.06627	10.7
179.05577	1.3
189.07658	5.5
205.87868	1.0
219.05070	2.6
223.13379	2.2
249.06082	4.5
249.11359	1.5
255.02943	1.2
284.03226	3.0
285.04056	2.6
285.09775	13.3
343.10281	2.2
351.38315	1.0
373.11514	2.2
427.19577	1.5
429.17712	1.5
447.09088	2.6
519.83899	1.1
545.18683	25.4
546.19183	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.6
61.98831	17.4
70.06727	3.4
71.01382	5.1
73.02929	1.5
85.02956	1.9
89.02441	4.1
101.02459	4.5
111.57722	1.3
113.02421	1.7
119.03526	1.7
119.66476	1.6
124.21849	1.4
145.02985	1.6
161.04556	2.2
162.01900	1.5
233.60425	1.6
235.08131	1.7
243.10278	1.8
249.18594	100.0
250.18936	3.7
253.09303	17.5
264.79016	1.6
275.94144	1.6
291.19736	2.0
309.20642	2.1
453.93146	1.4
481.31424	1.8
511.35989	1.4
545.21564	4.1
546.22253	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.5
57.03480	0.8
58.00613	0.5
59.01095	0.4
59.01376	11.1
61.98830	2.6
69.03481	0.4
71.01377	6.6
72.99343	0.5
73.02937	1.3
74.02522	0.3
76.17937	0.2
83.01434	1.0
83.05044	0.5
84.57515	0.2
85.02936	1.7
87.00920	0.9
89.02446	6.0
91.04046	0.3
93.03458	0.3
95.01436	0.5
97.02944	0.6
97.06638	0.9
98.20665	0.5
99.00927	0.3
101.02438	6.4
111.08151	2.5
113.02440	2.8
113.09762	1.5
115.07687	0.9
119.03513	1.7
119.05032	0.3
123.04549	0.4
125.02481	0.3
125.06091	0.3
127.07716	0.4
131.03531	0.6
137.09712	0.3
139.11311	0.6
141.09259	0.6
143.03490	0.6
151.00369	0.5
151.11310	0.4
153.12880	0.3
154.10043	0.3
155.10889	0.3
161.04532	2.7
163.04056	0.3
163.11292	0.5
165.12839	2.6
167.10828	0.5
167.14359	1.3
169.12402	0.6
175.14429	0.3
177.12865	0.4
179.05664	0.8
179.14455	0.5
181.12317	2.6
183.13954	0.5
191.14381	0.3
193.12251	1.3
193.15974	0.7
195.13852	1.9
197.11821	11.5
199.13409	0.6
209.11769	0.4
211.13387	3.8
213.14964	0.6
221.15512	1.5
227.12817	0.5
229.14391	0.5
231.17621	0.3
235.08218	0.4
240.13631	0.5
241.14536	0.6
245.04659	0.3
245.19083	0.3
247.20656	3.3
253.09262	21.0
254.09538	0.5
255.02951	0.7
263.20148	1.1
265.21762	0.7
273.04117	0.7
273.18576	2.3
274.24451	0.3
281.21136	1.3
283.02386	0.5
291.19644	33.5
292.20032	2.0
301.03506	0.5
309.20685	100.0
310.21027	6.5
311.22324	0.5
325.81592	0.3
395.50476	0.3
485.30936	0.6
503.32022	0.5
545.29498	11.3
546.29822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2965
Annotation	Officinoside D
Peak:m/z	Relative Intensity
54.90089	0.7
57.03427	1.0
59.01379	19.7
61.98830	8.5
65.75210	0.7
66.79971	0.6
69.49379	1.3
69.49795	3.4
71.01382	7.9
72.99274	0.9
73.02933	1.1
81.03440	2.3
83.01388	0.7
83.04664	0.6
83.05025	6.1
85.02938	2.5
87.00848	0.7
89.02457	4.5
97.06567	1.3
98.19939	1.3
99.00875	1.1
99.08125	1.3
101.02444	5.2
101.06071	0.9
111.08173	0.8
113.02436	2.5
118.59586	0.6
119.03487	1.6
125.09718	1.3
127.07639	1.5
132.32033	0.7
145.05042	1.8
161.04558	2.1
163.11237	0.7
163.31955	0.7
165.12737	0.8
166.62276	0.7
179.14388	1.0
180.25035	0.7
209.11830	0.7
217.10815	0.8
229.54727	0.6
241.08731	0.9
247.20650	9.3
248.20917	0.8
253.09300	4.2
263.20023	1.4
265.21701	18.2
266.22009	0.7
291.19647	31.4
292.19968	1.4
309.20697	38.3
310.20944	2.3
383.24429	1.0
384.24060	0.7
527.28693	0.9
545.29559	100.0
546.29926	7.5
566.98718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
59.01376	24.6
61.98828	15.7
62.18295	1.1
69.03447	1.3
71.01372	11.2
71.05044	1.3
71.51031	1.3
72.99320	2.1
73.02949	3.8
81.03508	1.2
83.01380	2.8
83.05035	3.4
85.02972	4.3
87.00874	2.4
88.98772	1.6
89.02439	9.0
93.03468	1.1
95.01395	1.5
96.95977	1.9
97.02972	1.4
97.06593	2.4
99.08159	1.5
101.02428	10.0
108.02158	7.3
109.02944	1.4
111.08140	1.2
113.02439	5.2
119.03484	3.3
123.04534	4.9
123.08156	2.0
123.58755	1.2
125.09689	2.1
129.05557	1.2
139.11209	1.8
151.11208	1.9
161.02518	1.7
161.04552	4.2
163.11264	1.8
165.12845	8.4
167.10754	2.7
171.10368	1.3
181.12286	4.6
183.14009	2.0
189.07693	2.0
193.15952	3.3
207.13844	2.9
209.11812	22.6
210.11905	1.4
211.13362	1.8
227.12878	1.3
238.45660	1.1
247.20715	6.7
251.16606	1.7
253.09270	30.3
255.06404	1.5
265.21686	12.9
273.18607	2.3
276.43274	1.2
283.22644	1.5
285.11139	2.7
291.19641	65.1
292.20032	2.9
309.20691	100.0
310.21185	5.4
354.89389	1.3
386.47104	1.2
421.16702	6.6
445.20456	2.0
473.34137	1.3
485.31134	1.3
503.31516	1.5
513.45978	1.3
545.29248	17.0
546.30243	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90089	0.7
57.03427	1.0
59.01379	19.7
61.98830	8.5
65.75210	0.7
66.79971	0.6
69.49379	1.3
69.49795	3.4
71.01382	7.9
72.99274	0.9
73.02933	1.1
81.03440	2.3
83.01388	0.7
83.04664	0.6
83.05025	6.1
85.02938	2.5
87.00848	0.7
89.02457	4.5
97.06567	1.3
98.19939	1.3
99.00875	1.1
99.08125	1.3
101.02444	5.2
101.06071	0.9
111.08173	0.8
113.02436	2.5
118.59586	0.6
119.03487	1.6
125.09718	1.3
127.07639	1.5
132.32033	0.7
145.05042	1.8
161.04558	2.1
163.11237	0.7
163.31955	0.7
165.12737	0.8
166.62276	0.7
179.14388	1.0
180.25035	0.7
209.11830	0.7
217.10815	0.8
229.54727	0.6
241.08731	0.9
247.20650	9.3
248.20917	0.8
253.09300	4.2
263.20023	1.4
265.21701	18.2
266.22009	0.7
291.19647	31.4
292.19968	1.4
309.20697	38.3
310.20944	2.3
383.24429	1.0
384.24060	0.7
527.28693	0.9
545.29559	100.0
546.29926	7.5
566.98718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3113
Annotation	Westiellamide
Peak:m/z	Relative Intensity
53.48411	1.4
59.01365	6.4
61.98828	11.9
70.75144	1.5
71.20177	1.5
71.50895	2.0
78.95896	28.7
82.48829	1.7
88.98775	2.5
95.05010	3.7
96.11451	1.6
105.03452	10.4
121.03001	2.0
122.03815	2.0
122.49162	1.7
123.03654	2.3
123.04523	28.6
132.02148	4.7
133.02940	37.9
134.03729	13.6
135.04486	5.7
137.02423	6.1
145.95726	1.5
148.05330	2.9
152.99580	20.3
160.01643	36.8
161.02451	25.5
161.06023	5.5
175.03993	78.1
177.01942	2.1
178.02740	3.8
179.03583	2.4
186.23608	1.9
192.98808	6.3
193.05043	7.8
236.20554	1.6
236.97575	1.7
267.66162	1.8
277.21689	6.9
287.12961	3.8
289.99570	1.9
295.22726	10.7
327.15848	5.7
341.17389	3.5
349.27438	2.7
355.84137	1.7
385.27267	2.5
439.24908	6.6
453.26352	27.9
454.26282	1.8
455.21640	6.0
471.27301	42.0
472.27924	3.8
530.27936	2.2
545.31158	100.0
546.31720	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	546.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.9
61.98823	100.0
68.99574	2.2
69.28741	19.3
78.95887	20.6
112.98576	4.5
123.04514	22.9
124.04825	6.4
133.01637	2.5
133.02879	6.0
152.99564	19.8
160.01631	5.8
161.02298	3.4
175.04050	10.8
176.04355	4.3
273.92792	2.1
277.21600	2.5
281.95816	2.1
302.76978	2.4
349.27374	5.1
433.23465	6.0
433.76511	2.4
454.26682	3.5
472.27631	5.3
516.26373	2.3
546.31152	20.0
571.64404	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	546.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	9.6
60.88464	2.1
61.98826	100.0
70.98587	5.1
81.33523	2.3
159.65341	2.2
161.66632	2.6
174.63651	2.3
213.53764	2.2
239.03436	2.3
241.04961	4.6
255.06474	4.0
256.07257	3.7
278.21848	3.7
319.65781	2.6
514.95032	2.4
521.57483	2.6
547.26733	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59556	0.7
59.01381	0.9
61.15482	0.6
62.24216	0.7
69.47628	2.6
69.48051	2.1
71.01377	64.0
72.98946	1.2
72.99309	11.5
73.17301	0.7
74.44528	0.6
81.44507	0.6
87.00857	0.7
89.02457	0.8
93.03439	0.9
95.04992	1.2
96.99318	4.0
101.02427	1.9
105.03456	1.2
113.02441	1.2
115.00365	100.0
116.00689	2.0
117.03453	6.0
119.05019	15.1
121.02947	0.8
123.04517	69.9
124.04839	1.4
133.01422	12.8
135.71317	0.7
145.02946	13.5
161.04518	4.3
163.04022	8.4
185.93391	0.7
194.77213	0.7
277.05765	1.7
279.05069	1.7
285.09769	7.6
286.09982	0.9
383.09778	40.3
384.10251	2.9
401.10834	58.9
402.11261	3.5
495.88007	1.0
547.14563	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	547.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06190	6.8
59.01378	83.8
60.18807	7.7
60.99294	15.1
61.98820	30.1
71.01376	91.7
71.50809	10.1
72.99294	18.0
73.02929	10.1
77.21748	7.5
85.02973	13.6
88.98810	79.8
89.02443	14.8
90.98563	10.2
98.95591	6.8
99.08157	22.4
101.02466	22.9
113.02467	11.5
115.00360	100.0
119.05022	31.4
123.04510	88.6
127.07650	14.9
133.01404	18.9
134.42082	6.7
135.02979	9.6
137.56827	7.6
145.02919	13.1
145.09798	18.0
153.05510	23.0
163.03992	27.0
170.77150	8.6
199.72246	8.3
223.13414	10.8
266.52194	7.2
278.96875	8.4
285.09741	16.9
327.08740	9.9
343.25858	17.4
383.09656	30.6
401.10895	23.9
413.23993	11.7
429.21609	12.3
431.16821	28.0
457.16623	9.2
505.30835	15.6
547.33105	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.1
60.99303	16.8
71.01376	12.5
72.14658	1.8
84.08806	1.4
85.02953	2.4
88.98801	86.6
89.02438	5.8
93.03439	2.4
100.41984	1.7
101.02425	4.6
113.02421	2.8
115.00367	12.3
119.03474	2.3
119.05000	15.9
123.04529	6.9
127.06704	3.4
127.07642	69.1
128.08081	1.9
145.02931	2.4
153.05554	2.3
161.04556	1.6
163.03992	14.8
171.06618	53.9
172.06956	2.3
221.46857	1.9
314.62833	1.9
343.74652	1.7
351.12921	100.0
352.13223	4.5
383.09689	3.7
401.10767	3.6
431.13364	5.1
456.17368	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.0
60.80623	1.2
60.99295	2.4
61.98849	3.0
69.78776	2.0
69.79193	4.4
69.97070	1.2
71.01378	4.5
73.64725	1.2
88.98804	12.6
89.02453	4.7
99.00882	2.0
99.92616	1.3
101.02467	2.3
113.02448	5.4
117.03466	10.8
119.05031	35.3
133.06577	3.1
145.02956	100.0
146.03278	2.9
161.04767	2.0
161.06105	6.4
163.04018	53.0
165.09213	2.7
177.05612	1.7
187.03984	4.9
189.04027	2.9
205.05089	8.1
221.04482	1.4
235.06123	3.2
265.07108	5.5
289.04767	1.7
325.09219	56.1
326.09647	4.1
385.19009	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	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.3
57.03446	14.6
58.00592	1.9
59.01376	72.9
61.98819	2.0
65.58824	0.8
70.98898	2.2
71.01378	95.5
72.99306	4.1
73.02943	15.1
75.00856	1.2
83.01379	5.9
83.05009	1.1
85.02945	27.0
86.00116	1.1
87.00874	13.9
89.02440	72.7
89.84196	0.8
95.01375	8.2
95.16824	0.8
99.00866	6.1
99.04527	4.4
101.02441	54.7
113.02441	34.9
115.00391	4.6
119.03497	35.0
123.04521	3.7
123.08157	2.7
125.02462	1.7
129.01926	1.8
131.03503	3.6
135.08205	1.0
137.09744	4.8
140.97484	0.9
143.03487	10.0
149.04514	3.7
150.06781	1.3
153.09227	3.4
159.02989	5.9
161.04549	34.9
161.05855	1.2
163.11316	1.2
165.09195	89.0
166.09525	3.8
175.07735	1.1
179.05609	20.4
179.07114	2.3
186.62627	0.9
187.11267	5.2
189.09212	6.8
190.09724	1.3
192.02727	2.1
193.12373	1.7
204.11510	3.1
205.12326	10.2
223.13361	5.7
295.15463	3.2
370.81888	1.0
383.09695	1.2
384.17993	1.9
385.18652	100.0
386.18988	8.2
401.10977	1.5
547.23505	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	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23909	0.7
55.01867	2.6
56.14029	0.6
57.03444	13.9
58.00579	3.2
59.01374	68.4
60.01698	0.9
61.98823	1.6
71.01376	82.3
71.50391	1.1
72.99306	3.5
73.02937	13.9
75.00861	1.0
77.82742	0.6
81.03424	0.8
82.56347	0.7
83.01375	6.4
83.05032	1.0
85.02939	25.6
86.00101	1.3
87.00867	13.4
89.02436	68.0
95.01389	6.2
97.02952	1.8
99.00878	6.0
99.04500	3.9
99.32153	0.7
101.02433	53.8
102.02762	1.0
111.00881	1.0
113.02444	39.6
113.06048	0.8
114.02802	0.9
115.00368	3.9
117.03481	0.6
119.03490	37.7
120.03857	0.8
121.06621	1.1
123.04479	2.1
123.08147	1.8
125.02449	1.4
129.01903	1.6
131.03508	4.9
133.01433	0.6
137.09735	4.0
143.03487	9.5
145.06601	0.9
149.04552	3.1
151.07642	0.9
153.09192	3.9
159.02965	5.4
161.04544	32.5
161.05850	1.1
163.04019	1.3
165.09186	90.1
166.09534	2.6
171.08076	1.0
175.07645	0.9
177.12833	0.9
179.05615	20.6
179.07118	2.0
180.06015	0.7
187.11229	4.4
189.09189	8.3
190.09766	1.0
192.02692	1.1
193.12318	1.3
204.11517	3.0
205.10504	1.1
205.12296	9.6
206.12706	1.1
207.05385	0.8
220.85808	0.7
223.06079	1.2
223.13354	5.1
238.44510	0.7
295.15381	2.1
367.17697	1.0
383.09589	1.2
384.17889	1.4
385.18634	100.0
386.18954	7.5
401.10757	1.5
413.18118	0.9
547.23145	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	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
56.47235	1.0
57.03428	3.7
58.00592	2.6
59.01374	66.0
67.21374	1.1
71.01374	93.5
71.50381	2.1
72.01680	1.3
72.99304	9.2
73.02946	9.2
74.20284	1.1
83.01379	7.0
85.02946	31.3
87.00866	5.7
89.02435	43.3
95.01380	9.3
95.05010	1.4
96.99308	2.4
97.02938	3.7
99.00876	5.3
101.02435	38.0
108.05793	1.5
113.02443	55.4
115.00360	51.3
117.03496	2.0
119.02666	1.6
119.03494	23.2
119.05008	8.8
122.03745	1.2
123.04519	38.3
123.08154	1.6
125.02454	2.0
127.07618	2.6
130.99876	2.0
131.03470	2.9
132.00627	1.2
133.01390	5.0
138.06876	5.3
143.03502	9.5
145.02927	5.5
149.04585	1.5
150.03143	1.4
151.07655	5.8
152.08430	10.3
153.09195	21.5
159.02994	2.3
161.04541	28.2
163.04005	4.7
163.11241	1.6
165.05519	2.3
168.19402	1.0
179.05605	14.5
190.09860	1.4
192.02681	7.1
205.12315	22.7
213.08057	1.2
221.06555	2.5
223.13388	9.5
230.37201	1.2
277.05612	2.0
285.09735	2.9
323.09763	12.2
327.08658	2.1
378.27591	1.1
383.09790	17.4
384.10275	1.3
385.18637	20.7
401.10822	23.6
402.11038	1.4
457.20941	1.9
470.18320	1.0
547.23920	100.0
548.24139	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	547.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82698	0.7
59.01379	19.4
61.98817	1.3
63.80958	0.9
69.55033	4.1
69.55455	1.8
69.66927	0.9
71.01359	3.3
73.02934	1.2
85.02946	0.9
85.51360	0.8
89.02438	3.2
97.36700	0.8
101.02422	3.1
113.02465	1.9
119.03478	1.0
122.07518	0.9
127.60107	0.8
141.22910	0.8
161.04630	1.6
213.05515	1.5
234.42169	0.9
235.08012	2.0
241.04959	2.4
251.20148	100.0
252.20564	5.5
253.09279	12.0
282.08844	1.1
295.09726	6.0
312.47699	0.9
354.02896	1.1
515.24414	1.2
532.24634	1.7
547.26672	4.0
547.35315	1.7
574.30554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35234	0.3
52.55931	0.3
55.01857	0.5
57.03432	1.0
57.41527	0.5
58.80188	0.3
59.01377	16.8
59.65921	0.4
61.98810	1.3
69.26559	3.1
71.01012	0.6
71.01379	7.4
72.99288	0.4
73.02942	1.5
79.94279	0.3
83.01380	1.4
85.02929	3.2
87.00864	0.8
89.02437	3.9
95.01353	0.5
96.24151	0.3
97.06602	0.6
99.00908	0.5
99.36131	0.3
101.02444	6.2
113.02435	3.3
113.09694	0.9
115.07645	0.8
119.03488	1.2
125.02416	0.4
132.00887	0.4
135.51405	0.4
143.03484	1.1
159.02933	0.4
161.04579	2.1
167.14407	3.4
179.05629	0.5
183.13885	1.3
195.13905	9.1
196.14206	0.6
211.13443	0.6
213.15070	0.8
242.15233	1.0
249.22145	0.6
253.09276	16.0
254.09550	0.7
265.21689	0.7
267.23404	0.4
275.20203	0.4
284.54916	0.3
293.21204	7.8
294.21384	0.5
311.22253	100.0
312.22595	6.5
325.27786	0.4
330.59912	0.4
337.61166	0.4
343.28546	0.8
399.27414	0.5
417.28452	0.9
487.26581	0.6
487.32837	5.4
505.33911	2.5
547.30670	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81505	0.4
57.03440	1.0
58.00597	0.7
59.01373	14.2
61.98824	5.3
62.09457	0.4
65.53136	0.5
69.30821	0.5
71.01382	7.9
71.41957	0.7
72.99312	0.7
73.02931	1.3
75.00869	0.6
79.21616	0.4
80.91823	0.4
82.39052	0.4
83.01385	0.8
83.05009	0.6
83.76228	0.4
84.02171	0.4
85.02955	2.5
86.85336	0.4
87.00867	1.1
89.02446	6.5
93.03447	0.5
99.00857	0.7
99.08139	2.2
100.17394	0.5
101.02451	7.9
101.03089	0.6
111.46460	0.5
113.02444	4.4
113.09716	2.1
115.00352	0.5
119.03471	1.7
119.04972	0.6
127.07716	0.5
129.09183	3.8
139.11237	0.5
143.03482	1.1
151.11234	0.6
153.12886	0.6
161.04559	4.6
163.03972	0.6
165.05547	0.5
167.14349	0.7
169.12297	2.0
171.10277	0.9
179.05623	1.1
181.12292	3.7
183.13878	2.0
193.12334	1.8
195.14108	0.5
197.11827	6.7
199.13374	3.3
211.13383	15.2
212.13745	0.5
226.06396	0.6
227.12842	0.6
241.08533	0.8
249.22235	0.6
249.35130	0.5
253.09267	33.8
254.09740	1.0
265.21637	0.8
275.20071	1.9
293.21231	13.1
294.21442	1.0
309.20782	0.6
311.22244	100.0
312.22577	6.6
343.28577	0.6
355.53528	0.5
369.41864	0.5
377.20212	0.6
487.32755	1.3
505.33875	0.9
547.16046	0.5
547.35107	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	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03448	2.8
58.00596	0.6
59.01379	100.0
60.01705	0.8
61.98835	0.3
69.03468	0.7
69.17470	3.1
71.01382	17.0
71.05021	0.5
72.01750	0.3
72.99311	0.8
73.02947	5.1
76.04483	0.3
83.01393	3.3
85.02953	11.4
85.06614	0.5
86.00107	1.0
87.00869	1.2
89.02429	1.5
93.83778	0.3
95.01405	1.9
97.02932	1.5
99.00880	2.4
99.08170	0.7
101.02443	10.7
105.18928	0.3
111.00887	1.1
111.08144	0.4
112.01678	0.6
113.02448	8.4
115.04020	0.9
124.01663	0.6
125.02435	1.2
127.07636	0.7
129.01987	0.7
129.05565	0.7
130.01697	0.3
142.02797	0.4
143.03481	2.6
159.02963	0.9
161.04552	3.6
161.33951	0.3
195.06578	0.5
207.17517	0.6
213.18633	0.7
223.56273	0.3
225.18721	0.4
279.23288	3.5
295.26141	0.3
297.24332	0.4
325.27438	0.8
343.28506	8.8
344.28989	0.6
385.29565	0.6
413.29202	0.5
439.30475	0.8
451.30466	0.5
457.31573	0.6
487.32758	40.3
488.33176	3.9
505.33786	33.5
506.34042	2.8
547.34692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92974	1.1
59.01375	32.1
61.98826	100.0
70.05334	1.6
70.05722	1.8
71.01373	3.9
73.02946	3.6
74.02468	3.5
83.01373	1.4
85.02966	1.0
89.02414	1.1
95.52739	0.8
99.08176	1.1
101.02438	3.6
113.02453	2.6
161.04565	1.7
165.07881	1.1
190.62756	0.8
206.16882	0.9
266.14041	1.5
279.04343	1.0
284.14914	1.0
295.29535	0.9
489.33905	1.4
504.28104	6.0
534.94482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92974	1.1
59.01375	32.1
61.98826	100.0
70.05334	1.6
70.05722	1.8
71.01373	3.9
73.02946	3.6
74.02468	3.5
83.01373	1.4
85.02966	1.0
89.02414	1.1
95.52739	0.8
99.08176	1.1
101.02438	3.6
113.02453	2.6
161.04565	1.7
165.07881	1.1
190.62756	0.8
206.16882	0.9
266.14041	1.5
279.04343	1.0
284.14914	1.0
295.29535	0.9
489.33905	1.4
504.28104	6.0
534.94482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98823	0.5
63.50238	0.3
69.17558	0.7
69.17957	2.7
77.03958	1.7
93.03417	0.3
121.02948	100.0
122.03276	1.9
122.26985	0.3
137.02451	0.5
147.04517	0.3
165.01915	51.3
166.02271	0.8
180.05750	0.6
181.06595	2.5
197.06117	2.3
207.04466	1.0
207.08128	0.5
223.04088	0.3
225.05521	1.2
257.09622	1.0
257.93341	0.3
295.06363	0.3
313.07181	1.5
330.70602	0.3
343.80444	0.3
357.06128	0.9
379.77222	0.3
383.07562	0.8
387.75607	0.3
417.09650	1.8
492.50153	0.3
505.11282	1.8
506.11023	0.4
547.33722	0.3
549.10327	28.8
550.10590	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	549.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31346	0.7
54.11164	0.7
59.01367	3.9
61.98825	1.3
71.01379	66.1
72.01714	8.8
72.99303	10.6
73.01777	3.5
73.99613	1.3
74.99701	0.9
76.08299	0.7
83.01384	1.0
85.02937	2.4
87.00885	0.9
89.02441	2.4
93.03462	3.2
94.03799	0.8
95.05032	1.1
96.99311	5.9
97.99667	1.7
101.02448	3.0
105.01945	0.7
105.03466	1.0
113.02432	2.4
115.00372	100.0
116.00712	21.3
116.66928	0.7
117.00793	13.8
117.03461	5.2
118.03827	1.8
119.04200	0.5
119.05018	12.5
120.05370	4.6
121.02959	1.1
123.04521	63.9
124.04854	23.4
125.05006	6.5
133.01439	9.6
134.01767	1.4
135.01895	1.5
145.02950	7.8
146.03302	4.5
147.03487	1.3
149.02397	0.9
161.04544	4.2
163.03967	6.5
164.04364	3.9
165.04555	1.9
225.09215	13.5
277.05762	0.8
278.05896	1.3
281.05612	1.6
285.09796	3.2
286.10138	2.5
287.10361	3.6
309.08578	1.3
311.10388	2.8
327.08682	4.4
328.08981	3.8
329.09177	2.3
332.49850	0.7
337.08295	4.0
342.63818	0.7
355.09241	1.6
381.13547	1.0
383.09775	10.5
383.14304	1.1
384.10147	17.4
385.10345	25.3
386.10522	1.2
387.15115	0.8
401.10815	8.9
402.11179	17.2
403.11343	33.8
404.11850	2.0
517.14905	2.1
549.16467	2.7
549.29230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24133	1.2
58.89861	1.2
59.01376	20.4
61.98814	4.4
70.48244	1.3
71.01374	19.4
72.01768	1.3
72.99297	3.0
75.00877	1.7
85.02927	3.9
89.02457	8.2
96.99296	1.4
101.02438	8.5
108.04536	3.7
113.02428	4.1
114.99679	1.7
115.00376	18.3
116.00693	2.1
117.00780	2.5
119.03494	2.8
119.04977	3.6
122.06126	3.4
123.04520	11.6
124.04833	2.9
124.57090	1.3
132.04457	2.6
133.01433	1.6
134.06061	6.1
137.34348	1.4
152.07248	1.6
158.02499	2.1
160.04024	16.1
161.04582	3.4
162.05565	1.8
163.03882	2.5
188.03526	11.1
190.05087	11.0
204.02911	5.1
210.05522	2.0
211.08842	2.8
212.07037	5.3
218.04520	15.0
219.05124	2.2
220.05992	1.7
222.07637	2.5
226.03676	3.7
227.08380	3.1
238.08801	2.1
239.08217	4.5
239.11827	5.8
240.05396	5.3
241.06032	3.8
243.11423	1.7
251.08264	2.0
252.09067	2.3
253.06058	2.5
254.06909	3.5
255.02939	1.6
255.07777	12.3
265.09726	3.7
265.27243	1.3
266.08276	2.6
267.04047	3.6
267.07678	6.4
267.11292	16.6
268.09583	5.2
269.09335	9.1
271.02280	3.3
278.06848	2.7
280.04803	4.6
281.05933	11.9
281.08887	11.3
282.02762	3.0
282.05878	1.5
283.07132	13.5
283.10721	5.4
293.09253	7.6
294.06870	4.5
295.07202	17.4
296.08026	7.9
300.02625	4.2
309.08789	18.0
310.09082	3.3
311.10358	100.0
312.10745	6.3
315.09842	29.2
327.09839	16.0
328.09573	2.4
337.08328	43.5
337.11972	4.1
338.08588	2.6
343.13062	1.7
351.09637	1.4
355.09344	25.7
356.09521	2.2
369.10846	94.3
370.11191	8.5
383.09625	3.1
385.10190	3.0
387.07236	2.5
387.11951	43.9
387.19531	1.8
388.12183	3.0
397.10150	3.0
403.11267	2.5
411.11682	4.3
414.09863	1.7
429.12958	16.4
457.12454	3.8
459.13965	5.9
467.59732	1.4
489.15024	35.2
490.15826	1.8
505.09824	2.8
517.14246	5.3
517.19452	2.3
549.17053	79.4
550.17358	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03433	4.0
58.00574	4.3
59.01377	74.2
61.73609	0.9
61.98819	3.9
68.38316	0.8
69.16489	3.3
69.16910	6.3
71.01379	66.5
72.99293	3.1
73.02943	17.3
75.00857	1.7
82.33341	0.9
83.01385	11.7
85.02948	29.5
87.00854	3.9
89.02439	46.6
90.02794	1.3
95.01386	6.0
97.02924	2.6
99.00873	7.4
101.02435	67.5
107.05018	0.9
113.02442	41.9
115.00375	1.2
115.04016	1.1
119.03497	21.9
122.15917	1.0
123.08139	6.5
125.02458	2.6
131.03471	3.1
137.09734	3.5
141.87148	0.9
143.03485	10.6
149.04486	1.5
159.02936	2.9
161.04546	33.8
163.03949	1.4
163.11278	7.1
179.04126	1.5
179.05598	15.9
179.07155	0.8
189.12865	12.9
207.13875	13.9
221.06671	1.8
225.14966	3.6
234.91736	1.0
263.07843	1.1
281.19693	1.0
323.09799	3.8
387.20187	26.2
388.20477	1.7
431.19336	2.1
549.25482	100.0
550.25739	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	549.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
57.03448	3.1
58.00586	2.2
59.01377	68.0
61.98822	6.0
69.31063	4.1
71.01379	59.4
72.99310	3.5
73.02949	9.0
75.00864	1.0
80.05922	0.5
83.01391	7.1
85.02948	19.5
87.00858	3.3
89.02442	43.4
90.02755	0.6
90.14410	0.5
95.01395	4.4
97.02946	1.3
99.00868	3.9
101.02441	39.4
102.02776	0.6
111.00884	1.3
113.02448	25.7
115.00343	1.6
119.02667	1.2
119.03503	20.3
123.04501	1.4
125.02453	1.6
129.01978	0.9
130.08766	0.9
131.03506	2.0
139.00240	0.5
143.03525	4.6
149.04543	1.4
159.02940	2.4
161.04552	13.5
162.04808	0.7
177.40343	0.6
179.05612	8.2
188.73677	0.5
205.03568	0.5
218.04619	0.8
245.90315	0.5
311.10217	0.8
369.09924	0.8
387.11691	0.8
387.20193	17.9
388.20599	1.3
444.61279	0.6
466.66785	0.7
549.25470	100.0
550.25708	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03441	2.7
58.00594	4.7
59.01379	100.0
71.01382	63.8
71.26645	1.0
72.99305	4.2
73.02941	4.6
75.00883	0.6
83.01393	3.6
85.02948	14.7
87.00887	4.3
89.02446	78.3
90.02777	0.5
95.01397	3.6
99.00894	1.6
101.02440	39.3
102.02781	0.7
113.02451	27.1
114.02773	0.7
119.03499	36.0
125.02454	1.1
131.03511	3.8
137.09740	1.1
143.03510	5.4
148.76129	0.5
149.04576	2.3
153.09262	0.6
159.03004	1.3
161.04561	12.4
179.05598	15.0
189.12885	0.8
225.14870	1.0
369.19205	1.8
387.20242	7.7
504.31580	0.6
549.25500	46.2
550.25861	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	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.84543	0.5
57.03438	2.5
58.00593	3.5
59.01379	100.0
60.01715	0.6
71.01382	63.4
71.26804	0.9
72.99316	3.9
73.02947	4.6
80.79377	0.5
83.01398	3.2
85.02953	12.8
87.00872	3.9
89.02444	74.6
90.02784	0.9
95.01388	4.6
99.00885	1.8
101.02441	36.6
113.02448	30.0
119.03503	34.6
125.02465	1.1
131.03477	3.0
137.09734	1.3
138.97269	0.6
143.03490	5.6
149.04546	3.1
153.09146	0.6
159.02986	0.9
161.04553	13.6
179.05591	15.1
189.12793	1.0
225.14948	0.6
369.19077	1.9
387.20160	7.2
388.20508	0.9
505.90808	0.8
549.25500	42.5
550.25739	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13559	0.6
50.71987	0.5
55.01871	3.4
57.03457	3.4
58.00594	4.5
59.01377	100.0
69.55416	4.2
71.01378	87.0
71.18346	0.6
72.99307	3.9
73.02943	12.1
75.00879	0.9
77.35677	0.5
83.01390	6.2
84.02147	1.2
85.02948	22.8
85.22917	0.6
87.00871	4.1
89.02440	88.1
95.01392	6.2
97.02936	0.9
97.64997	0.5
98.19926	1.3
99.00871	5.5
101.02438	50.3
102.02814	1.1
113.01637	1.2
113.02443	35.3
119.03491	35.3
125.02415	1.6
131.03503	4.9
137.09720	2.0
142.07494	0.5
143.03497	8.5
149.04491	2.4
159.02960	2.4
161.04543	26.6
179.05609	27.2
180.05894	0.7
189.12781	0.8
207.13837	1.2
225.14899	1.9
369.19174	7.6
370.19714	0.8
387.20206	39.2
388.20505	2.8
549.25464	33.2
550.25592	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55969	0.5
55.01872	1.9
57.03455	2.6
58.00594	3.8
59.01377	100.0
60.01696	1.3
60.78404	0.5
70.04644	1.4
71.01380	71.7
72.01741	0.8
72.99303	4.9
73.02942	5.5
73.72831	0.5
75.00874	0.7
83.01390	3.4
85.02948	15.7
87.00879	4.1
89.02443	81.6
90.41427	0.6
95.01383	4.0
97.02949	0.5
99.00879	2.4
101.02440	40.6
102.02796	0.8
105.01938	1.0
113.02448	28.6
117.01966	3.3
119.03497	38.9
120.03767	0.5
129.01938	0.6
131.03502	4.2
137.09729	1.2
143.03511	7.1
149.04501	3.3
159.03032	0.9
160.54472	0.5
161.04541	13.9
163.03941	0.5
179.05603	16.6
189.12892	1.0
206.93823	0.8
207.05072	5.5
207.13914	0.6
209.59875	0.5
225.14992	1.1
236.21310	0.6
297.87686	0.5
369.19083	2.0
387.20239	11.2
549.25494	51.8
550.25568	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	549.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43824	23.9
70.09985	100.0
72.03503	23.7
87.05639	24.9
202.94231	25.4
215.26913	28.3
272.15973	23.8
326.29749	26.0
338.71472	28.1
448.50690	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27116	1.0
56.93679	1.0
59.01374	14.0
61.98836	1.1
71.01373	2.2
71.50157	1.6
73.30570	1.0
75.50940	1.0
82.98112	1.1
89.02442	2.2
101.02426	2.2
161.04565	1.1
167.36324	1.1
253.09267	12.0
253.21701	100.0
254.21925	3.9
259.07260	1.1
329.86868	1.0
332.60172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03455	2.2
59.01380	100.0
60.01719	0.4
61.98832	1.6
62.56082	0.3
69.03468	0.6
71.01382	16.5
72.99322	0.9
73.02951	5.0
75.00883	0.3
78.90225	0.3
81.03498	0.4
83.01388	4.3
85.02951	10.3
86.00081	0.7
87.00892	1.1
89.02425	1.7
95.01391	2.7
97.02978	1.0
98.20672	1.3
99.00890	1.9
101.02443	10.7
111.00909	1.4
111.08167	0.3
112.01727	0.5
113.02451	8.1
115.03993	0.7
124.01685	1.3
125.02444	1.3
129.01952	0.5
143.03519	2.9
159.03012	1.0
161.04541	3.4
163.03883	0.3
185.15479	1.3
185.86105	0.3
213.18660	0.6
226.06378	1.0
230.40292	0.3
241.08719	2.9
279.23416	0.7
297.24191	0.4
299.25974	2.7
327.08481	0.4
327.28989	0.4
345.30057	6.5
346.30383	0.5
441.32074	1.3
453.32272	1.0
459.33203	1.0
489.34348	47.6
490.34634	4.3
507.35373	32.0
508.35568	3.3
549.36267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13104	0.2
59.01389	0.3
61.98832	100.0
64.25214	0.2
69.33752	1.6
71.01379	0.3
89.02439	0.3
100.98159	0.2
101.09285	0.2
163.04054	0.3
169.87466	0.2
233.08670	0.2
433.97025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11680	0.2
55.01875	0.3
57.03449	0.2
58.00614	0.3
59.01381	7.8
60.01723	0.2
61.98830	100.0
69.63954	0.6
69.64346	0.4
71.01384	5.8
72.01729	0.4
72.99317	0.5
73.02959	0.4
83.01422	0.5
85.02948	1.3
87.00890	0.5
89.02450	6.8
90.02815	0.5
95.01396	0.5
96.96011	0.3
99.00855	0.4
101.02438	3.7
102.02815	0.4
113.02452	1.9
115.00378	0.2
119.03514	2.5
119.05021	0.5
120.03899	0.2
123.04568	0.3
125.02522	0.3
129.05606	0.3
131.03497	0.2
137.09834	0.2
143.03564	0.6
147.38548	0.2
149.04582	0.3
161.04573	1.0
161.05954	0.3
162.04950	0.3
162.29968	0.2
163.04022	0.6
179.05615	1.3
181.07776	0.2
193.05109	0.3
203.76215	0.2
205.05153	0.3
222.12352	0.2
226.06613	0.2
235.06413	0.2
325.09058	0.2
381.13138	0.3
387.20358	0.5
389.12534	0.2
461.51770	0.2
549.25452	1.2
550.16321	0.6
550.26074	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	550.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43251	0.6
59.01366	1.4
60.62212	0.5
61.33886	0.5
61.95245	0.5
61.98828	100.0
70.98214	0.8
100.94498	0.6
123.39645	0.6
132.21980	0.6
138.03235	1.1
189.07700	0.6
251.20154	0.9
252.20586	0.7
550.28644	1.1
570.56946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47567	0.5
62.29124	0.5
69.56339	0.9
69.56750	2.5
80.27438	0.5
96.96009	0.6
103.88318	0.6
108.02139	2.1
134.03752	0.6
140.00781	0.7
145.02922	1.6
147.04565	0.6
149.06081	65.2
150.06404	1.6
162.06876	0.6
170.55823	0.6
197.06123	2.6
208.05368	0.7
225.05482	1.4
234.06723	0.7
235.07588	0.7
237.91179	0.6
240.08105	0.6
250.06364	1.1
251.07080	1.0
263.07111	1.0
265.08597	0.9
277.08813	1.0
299.10764	1.3
301.08655	0.9
313.35660	0.6
314.09409	1.1
315.10199	3.9
315.44217	0.6
325.08716	3.6
326.09381	1.2
327.10120	3.5
329.08243	0.7
329.11813	0.9
330.12527	0.6
342.08896	1.0
343.09732	21.1
344.09906	1.6
353.08115	0.9
354.08963	3.2
355.09723	4.2
356.10416	2.7
357.11325	1.1
358.12030	1.1
368.10330	0.7
369.11380	1.6
370.12329	3.1
371.09161	28.4
372.09442	1.6
385.10828	7.5
386.11572	41.2
387.12012	4.0
401.13916	100.0
402.14328	7.1
430.93216	0.6
476.88370	0.7
551.20721	20.1
552.21161	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.5
61.98827	79.2
71.01379	6.7
71.50673	1.2
71.56129	0.8
73.02937	1.9
85.02953	1.8
87.00885	1.1
88.98795	5.4
89.02460	2.9
93.03439	0.9
95.01356	1.8
101.02466	4.7
109.66944	0.9
111.00900	1.0
113.02434	2.6
119.04999	1.3
121.03042	1.0
122.03723	1.2
134.03751	8.9
137.02423	1.8
149.02405	1.6
149.06096	2.7
150.03189	7.2
159.04546	1.7
160.05281	3.3
161.02409	0.9
161.04498	1.5
163.04082	0.9
165.05576	8.2
172.05305	11.2
173.05948	2.0
178.02676	5.8
180.04269	0.8
183.04431	0.9
185.06049	2.3
186.06857	1.2
187.04027	4.3
188.11665	0.9
193.05042	23.6
195.06644	6.1
197.06114	4.1
198.06741	1.1
199.04025	8.6
200.04823	4.5
201.05557	2.7
202.06308	1.7
204.04228	2.5
211.03961	1.6
213.05614	1.2
214.06187	1.1
227.03476	29.7
228.04242	10.5
246.05238	1.1
257.15533	2.5
283.13391	63.5
284.13681	4.9
301.14413	18.6
302.14777	1.2
306.83838	0.9
307.13364	0.9
309.14883	16.7
310.15216	1.7
311.12888	5.9
325.14444	2.7
327.12323	2.6
327.15979	11.2
329.13815	6.0
343.15637	1.1
345.13266	5.3
345.17001	36.5
346.17300	2.9
353.13947	9.8
371.14951	100.0
372.15329	7.9
387.14435	2.1
389.16031	2.8
431.16861	2.1
491.28333	1.1
507.19406	1.2
507.27957	2.5
551.20856	3.4
551.32318	1.2
556.12024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93549	0.9
58.56557	1.0
59.01379	13.5
61.98832	67.5
71.01394	6.1
71.05573	2.4
72.99319	1.2
73.02943	1.5
80.45184	0.9
85.02966	2.3
88.98830	4.7
89.02440	2.8
95.01386	1.5
98.15488	0.9
99.23290	0.9
101.02446	4.2
111.00912	1.1
112.03834	1.2
113.02426	2.5
119.03578	1.3
119.05048	1.2
121.02944	1.2
122.03772	1.0
134.03751	9.7
137.02437	1.4
149.06073	3.1
150.03239	6.5
159.04495	2.8
160.05284	2.8
163.04027	1.1
165.05537	7.5
172.05330	11.9
173.05980	2.5
174.03166	1.1
178.02744	6.2
185.06099	1.7
186.06828	1.2
187.03999	4.2
193.05043	22.8
195.06610	4.9
197.06090	4.2
198.06853	1.2
199.03990	8.7
200.04732	4.8
201.05585	2.8
202.06346	2.1
204.04274	4.2
211.03955	1.1
214.06367	1.4
227.03502	30.3
228.04265	14.2
257.15503	1.7
281.15277	1.2
283.13400	68.5
284.13678	4.3
301.14462	22.8
309.14948	18.4
311.12860	7.9
325.14456	4.4
327.12335	4.8
327.16010	10.5
329.13828	4.2
336.68158	1.0
337.79010	1.1
343.15445	1.0
345.13354	4.5
345.17041	44.7
346.17441	2.8
353.13950	10.1
371.14987	100.0
372.15201	7.9
389.11890	1.8
389.16092	2.4
431.17035	1.4
507.28030	3.1
551.21313	5.1
551.29736	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38724	0.3
57.03449	0.3
59.01378	100.0
60.01710	0.6
61.98833	1.5
67.05533	1.0
71.01388	0.7
71.42550	0.3
73.02942	0.5
82.39724	0.3
83.05009	0.3
85.02921	0.4
87.57697	0.3
89.02428	0.4
94.13883	0.3
95.60385	0.3
101.02454	0.6
111.04456	0.4
113.02463	0.5
119.08567	0.3
124.05279	0.9
133.10262	0.7
135.11798	4.0
137.09697	0.4
153.05743	0.3
156.65649	0.3
161.04581	0.6
161.09685	0.4
179.10765	58.2
180.11090	2.1
181.08698	1.9
196.16937	0.3
197.11778	0.7
223.09763	10.4
224.10085	0.5
229.82915	0.4
241.10794	1.9
259.81100	0.3
265.10760	0.6
283.11810	2.9
341.16034	9.0
342.16486	0.4
385.14841	0.8
401.90659	0.3
491.19305	3.4
491.31863	0.4
509.20242	1.4
551.21393	5.0
552.21588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	0.7
61.98839	1.5
63.54750	0.5
71.01393	1.3
71.50791	0.7
89.02456	0.8
101.02434	1.8
113.02458	1.3
119.03527	0.8
124.05309	1.0
132.02179	1.0
133.02995	0.7
134.03745	0.8
135.04547	1.1
135.11801	2.2
137.02469	0.7
153.05693	0.5
160.01653	2.6
161.04373	0.7
161.09753	0.7
171.06633	0.6
177.01929	0.8
179.10770	71.8
180.11143	2.3
181.08658	3.6
211.13393	0.8
223.09746	17.1
224.10080	0.8
225.20050	0.6
241.10783	1.8
241.83391	0.5
283.11865	6.2
299.16629	0.7
325.14420	1.0
327.15976	2.1
340.08090	1.5
341.15967	7.6
343.15482	1.7
345.17014	1.7
366.76715	0.5
371.14859	5.9
385.15060	2.0
445.17328	0.5
491.19244	3.2
509.19754	1.1
519.15302	0.6
522.24591	0.5
551.21167	4.6
551.34033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01377	53.3
61.39177	0.3
61.98829	1.8
69.03459	1.0
69.76609	1.3
69.77020	0.6
71.01392	0.7
71.05027	0.6
71.55670	0.3
103.26476	0.4
113.02457	0.4
118.73477	0.3
118.89016	0.4
143.01608	0.4
167.10872	1.6
177.12799	0.4
179.10805	0.8
179.14403	2.0
195.13890	6.3
205.12320	5.9
223.13387	100.0
224.13768	3.4
336.91266	0.3
385.18909	0.6
551.20074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03433	2.4
59.01377	36.3
60.01702	0.9
61.98825	2.0
69.48403	6.3
71.01378	38.8
72.99297	2.1
73.02946	9.5
75.00851	0.9
83.01369	4.5
85.02950	17.6
87.00881	2.6
89.02438	25.1
89.12679	0.9
95.01376	4.1
97.02948	1.1
99.00903	4.0
101.02435	31.5
111.00872	1.4
113.02449	15.9
119.03495	9.9
125.02426	1.2
131.03500	1.6
134.03738	4.2
143.03545	1.1
149.06033	1.4
150.03175	1.5
159.02979	1.6
161.04536	7.3
165.05553	3.0
178.02704	1.7
179.05556	2.8
193.05019	6.6
195.06607	2.0
198.35684	0.8
209.48344	0.8
341.10321	1.9
389.12845	1.8
389.17416	1.3
389.21793	15.6
422.59091	0.9
551.27045	100.0
552.27386	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	552.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	12.4
61.84983	2.0
61.98827	100.0
69.76556	12.5
71.01381	4.7
78.91426	1.9
83.01420	1.9
89.02447	2.6
93.36872	2.1
96.96002	2.1
98.19977	2.4
115.00345	5.8
123.04393	2.3
151.00360	2.5
174.01649	4.9
196.66376	2.2
208.85513	2.0
227.03468	37.1
255.02956	45.8
256.03555	6.3
284.03223	50.4
285.03925	17.9
425.22842	2.5
489.10355	98.9
490.10745	5.2
551.30841	4.5
552.30042	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	552.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53674	0.5
59.01369	1.2
61.98827	48.0
69.43597	1.9
69.44015	1.9
82.09811	0.5
93.43181	0.5
98.20608	1.0
139.14421	0.5
144.23099	0.5
153.29431	0.5
169.06657	0.6
182.07350	1.2
198.06851	4.7
209.06133	0.9
225.05530	1.3
226.06331	50.7
227.06682	2.2
241.08684	100.0
242.09053	6.2
347.38232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01377	6.5
61.98829	98.5
71.01363	1.7
71.50810	1.2
99.08171	4.0
101.02438	1.2
101.52516	1.0
111.30814	1.0
123.04501	1.2
127.07648	5.1
129.05565	1.8
133.02921	1.6
149.02347	1.2
153.05521	2.8
156.93024	1.1
160.01628	2.2
175.04018	1.2
178.02576	1.1
182.07516	1.1
195.06650	1.9
198.06850	3.0
217.05090	1.3
225.05586	1.3
226.06334	45.9
227.06651	2.6
241.08687	100.0
242.09079	5.8
332.12164	1.8
380.14194	1.4
455.90802	1.0
552.20624	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	552.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23768	0.3
59.01361	0.4
61.98825	0.6
69.14650	3.3
73.35522	0.3
92.02557	0.8
95.05019	0.3
107.03648	3.1
117.55022	0.3
123.04529	5.8
133.89896	0.3
134.04735	100.0
135.05066	1.1
210.56522	0.3
240.79868	0.3
247.27249	0.3
266.09018	3.1
438.85373	0.3
463.77042	0.3
550.52466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42953	0.4
59.01356	1.3
61.98824	8.4
69.55381	0.7
69.55788	2.6
71.01366	0.5
73.39851	0.4
109.02909	0.9
121.02938	3.3
134.73349	0.4
145.47173	0.5
148.03995	1.4
149.04771	1.5
197.06073	0.6
209.06042	1.9
213.05553	2.0
237.05556	5.0
238.05989	0.5
253.08704	0.8
265.05078	0.4
266.05829	1.2
270.11411	2.3
271.11554	0.5
281.08197	2.6
285.09167	1.1
286.09882	0.6
287.10733	0.8
288.07941	0.6
296.08722	0.6
297.09042	0.8
303.10233	3.3
312.07831	0.8
313.08682	2.6
314.09521	0.6
315.10245	2.9
316.07532	0.5
317.08319	1.1
323.07095	0.8
331.09708	18.2
332.09933	0.6
341.08215	1.4
342.09164	0.6
348.20648	0.5
357.11572	0.7
358.08508	1.3
359.09222	37.0
360.09583	3.2
373.10706	1.4
374.11545	51.3
375.11963	5.2
389.13904	100.0
390.14194	8.2
415.11954	1.2
453.68268	0.4
552.20258	13.9
553.20471	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	552.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34207	0.4
53.02923	0.3
59.01382	0.5
61.98828	7.3
70.18919	0.4
90.98516	0.4
98.11084	0.3
108.02174	0.6
109.02947	5.9
110.51194	0.4
117.45776	0.4
121.02931	1.6
121.48205	0.4
122.03734	1.3
135.04512	1.4
146.07645	0.4
148.04045	3.1
149.04797	3.2
153.46959	0.4
181.03807	1.3
195.04510	1.9
196.05324	1.0
205.06598	1.3
209.06015	1.4
211.04134	0.5
213.05522	0.7
214.02661	0.4
214.63000	0.4
221.06027	1.3
223.03914	0.5
224.04745	2.9
225.05536	4.2
237.05556	8.4
238.06154	0.9
249.05530	11.2
250.06236	1.6
251.07082	3.0
261.09076	0.6
263.03439	0.9
265.08676	0.5
266.05798	4.8
270.11307	6.0
281.08078	2.6
285.09189	1.2
287.07169	0.4
287.10611	0.7
288.07870	0.5
289.08707	1.8
291.10361	0.6
299.07153	0.6
303.10303	3.2
304.82953	0.4
312.07944	1.0
313.08603	5.1
314.09387	1.5
315.06772	0.5
315.10168	4.4
316.07379	1.1
317.08133	13.3
318.08673	1.0
329.08127	1.1
330.08911	0.9
331.09732	17.7
332.10068	1.3
340.07220	0.5
341.08173	1.5
342.08829	0.8
343.05856	0.6
343.09558	0.7
344.06805	0.6
357.07559	1.1
358.08279	3.4
359.09213	42.6
360.09598	3.4
373.10709	2.5
374.11539	65.6
375.12012	6.1
385.07101	1.2
387.76450	0.4
389.13904	100.0
390.14240	7.5
394.12686	0.4
400.09512	1.3
415.11578	2.3
536.69531	0.4
552.20239	52.0
553.15131	0.8
553.21118	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	552.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01135	0.2
59.01381	1.9
61.98827	100.0
71.01387	0.7
71.50553	0.2
73.02940	0.3
75.69754	0.2
80.00504	0.2
85.02968	0.4
88.98799	0.3
99.00925	0.2
101.02459	0.6
119.80080	0.2
123.04470	0.2
127.07652	0.6
134.03751	0.6
137.02400	0.2
150.03180	0.4
153.05600	0.5
163.03992	0.3
165.05602	0.4
166.05872	0.3
178.02722	0.3
187.03943	0.4
193.05035	1.4
194.05424	0.8
217.33109	0.2
227.03600	0.7
228.03859	0.6
229.04630	0.3
283.13535	0.7
284.13718	1.1
302.14755	0.4
318.44904	0.2
333.07663	1.1
343.41354	0.2
345.17267	0.4
346.17572	0.8
354.14606	0.3
361.07312	0.5
371.14774	0.6
372.15308	1.9
390.07529	0.7
480.31924	0.3
508.31345	0.9
552.30402	0.6
553.13483	1.3
553.21692	0.3
555.44806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36584	0.4
59.01367	1.0
61.98819	1.5
70.51882	1.6
78.95486	0.7
78.95897	6.5
93.62262	0.5
98.51387	0.4
137.28523	0.5
152.99577	1.2
168.04321	1.6
179.55136	0.4
209.34875	0.5
224.06874	0.8
225.05330	0.5
242.07994	3.2
264.99301	0.5
275.20230	0.6
277.21689	100.0
278.22058	5.9
502.29349	34.8
503.29703	2.8
553.32037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69860	0.4
61.98826	100.0
67.10625	0.3
69.20126	0.3
69.33022	0.8
69.33428	2.2
75.81187	0.3
80.96505	0.6
81.95119	0.3
84.60083	0.3
94.98052	0.4
95.23431	0.3
97.76810	0.4
98.19913	0.5
161.04552	0.3
173.31555	0.3
253.21771	0.7
254.22108	0.5
536.83246	0.4
553.26843	0.8
561.91455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.135
Annotation	cudranian 1
Peak:m/z	Relative Intensity
50.92298	0.7
53.38541	0.7
54.58199	0.9
59.01382	4.5
61.98818	2.3
69.76367	4.3
71.01363	1.3
85.02978	0.9
90.75488	0.7
93.03459	2.2
135.04509	0.8
161.04599	0.7
163.00395	1.9
183.04503	1.1
189.05399	0.9
195.04477	0.8
197.06163	1.3
199.04024	1.7
211.04097	0.9
213.05583	1.6
225.05624	1.1
227.03484	13.3
228.03857	0.9
239.03456	5.2
240.04213	1.5
241.04994	2.1
255.02885	3.4
257.04578	1.0
260.72791	0.9
267.02979	2.1
268.03876	0.8
269.04510	2.9
289.08633	1.0
296.03302	1.5
297.03989	5.6
311.45236	0.8
317.08105	1.4
333.07681	72.2
334.08173	6.0
341.24576	0.8
345.07678	1.1
361.07126	23.8
362.07767	5.1
390.07455	38.0
391.08038	12.4
459.09360	4.3
553.13513	100.0
554.13782	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	553.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78663	0.6
55.17304	0.6
59.01379	6.7
61.98832	12.6
71.01372	3.2
71.40440	0.6
71.50614	1.0
73.02950	0.9
75.00873	1.5
79.20335	0.6
83.01395	0.8
85.02953	0.9
89.02444	1.8
93.03431	4.6
101.02463	1.2
104.03529	1.5
105.03526	0.6
111.05704	0.6
113.02479	1.4
115.00332	0.8
119.05061	0.8
122.37646	0.6
123.04577	1.0
124.46770	0.7
130.68440	0.6
132.04567	1.2
137.02448	0.9
147.04579	0.8
149.02527	0.7
150.03212	1.3
153.05602	1.1
158.06036	0.8
163.00339	1.2
163.04010	1.3
165.05574	1.6
171.04561	1.2
176.14778	0.6
183.04497	1.5
183.54808	0.6
198.12440	0.7
211.04028	1.4
213.05502	0.8
225.05655	1.1
227.03522	2.8
228.04297	0.8
229.18082	1.8
239.03531	2.8
240.04218	0.9
241.05045	3.4
255.03049	1.5
257.04529	2.1
267.03036	1.9
269.04541	2.0
276.53314	0.6
289.08704	1.2
296.03381	1.2
297.03998	3.7
317.04602	0.8
317.08072	0.9
323.60852	0.7
331.13516	1.1
333.07651	56.5
334.07965	3.3
342.14706	1.8
345.04114	1.7
349.14587	2.3
361.03690	2.0
361.07172	52.6
362.03674	0.6
362.07767	8.9
373.74692	0.7
377.20099	0.8
390.07532	35.6
391.04617	1.6
391.08282	21.0
391.13077	1.3
391.23422	2.4
392.08636	1.1
394.94516	0.7
417.17593	1.4
447.18845	2.0
459.09375	2.1
505.18759	1.8
523.22144	0.7
553.13562	100.0
553.27118	9.5
554.13983	11.0
554.29053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1925
Annotation	Osthenol-7-O-beta-D-gentiobioside
Peak:m/z	Relative Intensity
56.47005	0.3
59.01376	2.4
61.98811	0.4
65.03971	0.4
65.44109	0.3
67.01917	0.5
69.59055	2.0
71.01381	3.9
73.02934	1.0
81.03455	8.7
85.02948	1.6
89.02451	1.6
93.03477	2.1
95.01376	0.6
101.02444	2.1
106.04250	2.0
108.02164	0.6
109.02945	1.5
113.02417	1.8
119.03493	0.8
121.02955	0.5
122.03703	0.8
123.04521	35.2
124.04847	1.2
125.02421	0.4
137.02440	0.7
138.03194	0.5
141.95297	0.3
143.03453	0.6
161.04549	3.2
182.69464	0.3
199.55203	0.3
229.08676	100.0
230.08960	3.8
253.08759	0.4
271.09787	0.7
391.13965	24.3
392.14346	1.8
397.22507	0.4
537.10107	0.4
553.32404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00286	1.1
57.03443	9.9
59.01378	24.5
60.99309	1.6
61.98808	3.5
63.93883	1.0
71.01380	26.2
71.05055	1.4
73.02939	4.4
74.20724	1.0
78.99937	0.9
82.83500	1.0
83.01374	2.5
83.05032	1.4
85.02944	9.0
88.98799	7.6
89.02439	10.4
92.38516	1.2
95.01364	1.3
98.19955	3.0
99.00855	2.6
99.08156	40.3
101.02444	14.8
101.06057	4.7
109.06595	1.4
113.02466	9.5
119.03468	3.7
127.07648	63.0
128.07980	2.3
129.05574	99.4
130.05917	1.6
135.02968	1.3
137.02469	1.5
138.03212	1.5
150.03188	2.5
151.00310	1.3
153.05560	48.5
161.04546	9.0
171.06580	13.0
179.05627	2.7
183.80127	1.2
263.11325	13.1
271.02493	2.4
278.93768	1.2
300.02750	7.3
301.03467	2.7
314.24432	1.2
360.73010	1.1
417.17496	3.8
435.18643	100.0
436.19022	6.0
463.08655	7.1
494.29599	1.2
495.27917	4.5
553.21075	7.7
553.29236	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	553.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
57.03444	17.5
59.01117	0.8
59.01379	21.7
61.98820	1.5
62.43493	1.0
63.42801	0.9
69.39554	6.4
70.49147	0.9
71.01011	1.8
71.01382	24.8
71.05023	1.4
73.02930	5.6
75.00868	3.4
81.07126	1.2
83.01387	2.9
83.05022	3.4
85.02942	12.8
85.42056	1.2
85.42585	0.9
87.00876	1.4
88.98803	3.3
89.02441	8.5
95.01443	1.3
99.00884	3.5
99.08157	60.9
100.08567	1.1
101.02435	14.6
101.06075	6.5
113.02445	11.2
115.00343	1.2
117.01898	1.4
119.03471	1.3
127.07647	100.0
128.07968	2.0
129.05568	30.5
135.03020	7.6
138.03232	2.2
150.03177	1.1
153.05568	89.8
154.05908	2.9
159.02957	2.3
161.04539	19.3
171.06616	23.7
172.78712	1.1
179.05653	2.3
187.07515	2.7
202.06432	1.2
216.22012	1.0
231.10158	1.4
233.13820	1.0
235.58029	1.2
263.11334	37.7
271.02548	1.9
275.09308	1.8
300.02661	2.8
301.03525	1.6
307.10510	1.3
352.55984	1.0
417.17731	1.6
435.18665	45.7
436.19046	4.1
442.02582	1.0
463.08832	4.6
553.21539	17.0
553.30444	2.7
554.21222	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	553.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85361	1.1
54.40369	1.2
55.01861	1.6
57.03444	14.5
59.01378	31.4
61.98823	5.7
68.13560	1.3
69.39938	8.9
71.01378	32.1
71.05013	2.7
73.02938	9.0
75.00867	6.1
75.49608	1.2
83.01368	4.5
83.05042	2.5
85.02943	13.7
87.00858	1.9
88.98797	7.2
89.02435	11.8
95.01382	2.1
99.00882	4.8
99.08151	68.8
101.02438	18.2
101.06089	7.1
106.06625	2.7
109.06597	1.5
113.02439	13.8
117.40796	1.1
119.03481	5.3
119.04940	1.2
127.07648	100.0
128.07976	3.8
129.05569	33.1
135.02982	10.6
138.03140	1.9
150.03195	2.0
150.05586	2.6
153.05560	95.2
153.52449	1.3
154.05888	1.9
155.31181	1.1
159.02957	2.9
161.04530	18.8
171.06615	25.3
177.04033	2.5
179.05533	1.9
187.07654	2.2
189.07516	1.3
231.10219	1.3
233.13898	2.5
263.11307	37.2
264.11517	2.1
275.09174	1.8
303.21765	3.1
307.10300	1.5
309.78006	1.1
327.23700	1.2
391.27304	1.6
394.26718	1.2
417.17456	3.4
435.18649	50.9
436.18744	2.8
443.09076	1.4
518.61768	1.3
553.21155	28.2
553.31226	8.2
554.21552	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	553.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22571	1.5
55.01872	2.7
56.53287	1.4
57.03447	17.1
57.69387	1.7
59.01382	68.6
61.98821	5.9
63.27500	1.5
70.98788	3.6
71.01380	49.1
71.05013	2.0
72.99314	6.2
73.02952	14.4
74.99094	3.1
75.00872	33.3
81.07130	1.7
83.01387	5.9
83.05012	3.0
85.02952	17.4
87.00871	10.9
87.04512	2.6
89.02446	26.6
95.01377	2.1
99.00874	5.3
99.08155	64.7
101.02446	30.5
101.06098	7.6
113.02455	23.7
115.00383	4.5
115.92106	1.8
117.01920	13.2
119.03499	10.0
121.02930	2.1
122.03815	1.8
123.04483	2.8
125.02455	2.9
127.07653	100.0
128.07916	1.9
129.05582	44.3
131.03526	2.8
135.02998	89.0
136.03389	1.7
143.03453	2.1
148.15741	1.8
150.05606	3.5
150.22615	1.8
153.05577	75.9
161.04567	20.3
165.05571	4.3
171.06618	24.2
177.04068	17.8
179.05608	5.8
203.12906	2.4
263.11331	27.0
303.21866	4.9
327.71622	1.9
333.07516	3.7
349.18719	7.7
361.07147	3.9
365.18179	8.4
370.64331	2.3
379.19611	3.9
390.07440	2.6
391.08078	3.0
391.17609	7.0
391.27039	9.7
409.20999	2.2
417.17572	4.2
435.18665	81.2
436.19220	5.5
523.31024	2.9
535.31140	2.4
553.13245	7.1
553.21436	31.1
553.32214	27.8
554.21393	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	553.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89220	0.6
59.01367	2.4
61.98824	2.1
62.55737	0.6
63.96231	1.2
65.97993	0.6
70.91585	0.6
71.01377	6.3
73.02935	1.3
78.92354	0.5
78.95882	1.5
78.96949	0.6
78.98597	5.8
79.95734	10.2
79.96160	1.1
80.96516	61.9
81.03429	0.9
85.02947	2.7
87.00878	2.9
94.98083	14.5
96.96012	2.1
98.19919	1.7
98.95572	0.7
101.02439	2.6
106.98071	2.8
122.97595	5.7
125.02443	3.6
127.04047	0.9
127.58897	0.6
134.97585	3.5
136.99144	1.4
139.77971	0.6
144.84477	0.6
148.99123	5.0
152.98630	6.5
164.98631	11.6
182.99660	2.4
206.99619	2.8
225.00726	15.1
226.00964	0.8
243.01683	1.8
249.40410	0.6
253.21631	2.6
273.17111	0.6
279.23279	10.3
284.62949	0.6
299.04321	3.4
300.04633	0.7
473.86844	0.6
504.30908	6.8
542.75739	0.6
553.26819	100.0
554.27118	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	554.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98828	100.0
71.05045	0.7
87.42135	0.3
100.16441	0.3
157.46080	0.3
182.07256	0.3
223.13292	0.3
225.13756	0.3
391.17487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15703	0.3
59.01366	0.5
61.98817	0.4
71.50526	0.6
71.51207	0.3
78.95898	6.2
80.96516	0.9
83.40398	0.3
100.62710	0.3
101.66487	0.3
102.34710	0.3
116.43163	0.3
152.99582	1.1
168.04303	0.9
168.20447	0.3
174.73277	0.3
175.57599	0.3
187.21646	0.3
224.06908	1.1
226.29095	0.3
242.07956	2.7
245.90770	0.4
261.22290	0.6
277.21701	1.2
279.23267	100.0
280.23599	5.5
291.43030	0.3
387.85672	0.4
454.33530	0.3
482.15283	0.3
495.90671	0.4
504.30969	30.2
505.31360	2.5
554.26801	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	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02143	0.6
54.24952	0.6
60.37599	0.7
61.98825	100.0
69.91786	1.1
69.92200	2.2
71.01381	2.2
73.02972	0.7
78.98590	2.5
79.39547	0.6
79.95712	3.8
80.96508	25.2
84.03455	0.7
85.02950	0.9
87.00894	1.1
94.98072	6.1
98.19772	0.6
105.56498	0.6
106.98112	1.5
122.97621	1.4
125.02473	1.0
134.97614	1.8
136.99118	0.8
143.21329	0.7
148.99152	1.9
152.98622	2.6
161.05740	0.6
164.98596	4.7
182.99551	0.9
206.99699	0.8
221.97026	0.6
225.00711	5.8
243.02104	0.9
255.23267	1.6
299.04550	0.7
530.75867	0.8
555.28387	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15012	0.3
59.01377	15.3
59.74815	0.3
61.98824	3.6
71.50981	0.4
78.95900	5.1
80.96482	0.4
86.88654	0.4
114.51052	0.3
115.00412	0.4
126.20822	0.4
130.28456	0.4
152.99570	1.6
153.80092	0.4
168.04280	1.1
224.06940	0.8
241.21744	0.4
242.07985	1.9
255.23265	100.0
256.23630	4.9
340.85666	0.4
361.26724	0.4
480.30927	29.0
481.31369	1.7
581.43225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24770	0.3
59.01377	21.7
61.98828	0.4
66.32325	0.3
68.99556	1.8
69.19101	3.1
78.95898	19.3
93.50341	0.3
98.20744	0.6
109.37734	0.3
112.98569	2.5
122.98503	0.5
148.15790	0.3
152.99573	3.1
168.04294	2.5
178.88478	0.4
188.47961	0.3
221.07036	0.3
224.06915	8.4
237.22189	0.4
242.08037	1.7
255.23276	100.0
256.23593	5.4
276.25912	0.4
277.21707	0.5
453.28516	0.4
480.30911	59.3
481.31317	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	555.1497
Annotation	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Peak:m/z	Relative Intensity
59.01383	4.6
61.98812	2.6
62.90282	0.6
69.19646	5.3
71.01379	7.5
72.99323	0.7
73.02946	0.9
85.02934	0.9
87.00885	0.6
87.56963	0.6
89.02436	2.4
93.03410	0.8
96.99327	0.5
101.02419	2.4
101.03052	0.5
109.02960	0.5
113.02435	1.6
115.00356	9.3
119.03452	0.6
119.05023	0.7
123.04537	4.7
127.07619	1.1
128.03561	0.6
133.01433	0.8
137.02425	1.0
149.02437	15.0
153.05576	1.3
161.04491	0.7
163.03976	0.9
173.06061	3.7
177.01961	3.1
191.03539	0.7
195.08226	0.6
199.03941	1.1
240.04170	0.9
241.04970	0.8
255.06601	1.7
305.08112	1.0
307.06726	0.6
313.04971	1.1
315.06375	0.6
317.04474	1.8
320.06854	1.3
321.07687	1.2
330.05298	3.4
331.06137	5.5
332.06665	1.3
334.04730	2.7
335.05502	0.7
344.03174	0.8
345.04004	3.2
345.07739	2.0
347.05548	1.0
348.06335	3.7
349.07138	13.9
350.07440	1.4
358.04636	1.1
359.05533	7.8
360.06433	2.7
361.07416	0.8
362.04041	1.0
363.08701	11.9
364.09454	16.0
373.07059	1.6
375.08817	1.5
377.06622	13.1
378.06952	0.7
383.09769	2.6
391.08221	18.8
392.08978	43.2
393.09229	4.2
393.20822	0.7
401.10693	1.1
520.48242	0.6
527.15295	2.7
555.15009	100.0
556.15308	9.4
568.51038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03442	1.8
59.01379	24.5
61.98829	2.3
69.18455	5.4
69.18861	1.5
71.01379	18.5
72.99334	1.4
73.02944	5.4
83.01390	2.4
85.02940	5.5
87.00888	1.6
88.74207	0.9
89.02442	9.7
95.01362	1.8
97.02962	2.0
97.97460	0.7
98.19883	1.4
99.00849	1.8
99.08145	2.7
101.02435	12.9
107.98364	0.7
108.08176	2.3
111.00877	0.9
113.02443	6.3
115.00370	10.2
117.04053	0.8
119.03482	3.3
123.04511	4.6
125.02419	1.5
127.07648	100.0
128.07973	2.4
129.05598	1.1
131.03546	0.8
133.01489	0.8
143.03491	2.8
145.08676	1.0
152.07172	2.8
153.05548	2.8
154.84689	0.8
159.02856	0.8
161.04611	6.5
163.03957	0.9
166.08748	0.8
171.06619	98.3
172.06995	2.5
179.05638	2.3
179.40955	0.7
196.06154	1.8
221.06628	4.5
279.84216	0.8
305.08939	0.9
358.11487	4.4
383.09991	2.1
437.19156	1.2
484.78348	0.9
495.24442	1.1
555.19305	40.6
555.27008	7.4
555.33246	4.3
556.19897	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	555.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01378	95.5
60.01725	1.1
61.98840	2.9
62.77752	0.7
63.49504	0.5
71.01379	1.5
71.50671	0.8
83.01352	0.6
85.02940	0.8
94.31889	0.5
97.06622	0.6
99.04523	2.5
101.02460	1.0
109.06599	0.9
113.02449	1.1
115.00278	0.5
119.03470	0.5
123.04535	1.3
127.07640	0.9
150.03224	0.8
160.04039	0.6
161.04665	0.7
165.05539	1.1
165.12863	2.5
195.06674	0.7
195.70811	0.5
207.13905	4.6
209.11809	10.1
225.14963	6.2
225.26677	0.6
227.12877	53.3
228.13199	2.4
239.08925	0.7
241.05003	0.6
251.12904	1.4
269.13916	13.4
270.14279	0.8
287.14990	100.0
288.15256	4.7
321.07635	0.9
329.15952	1.7
334.04636	0.8
349.07208	1.3
360.06219	0.9
363.08875	1.7
364.09433	2.9
373.07184	2.3
374.07541	0.6
375.08749	3.1
376.05472	0.8
391.08228	2.1
392.09045	2.2
443.00461	0.6
449.20190	2.6
537.23492	2.2
555.15216	12.1
555.24451	55.3
556.15552	1.6
556.24731	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.90673	0.4
57.14034	0.4
59.01368	0.9
61.98829	5.9
63.96221	0.9
66.47273	0.4
69.03459	0.5
71.01388	5.9
73.02934	1.2
76.56236	0.4
78.98586	5.7
79.95288	0.6
79.95733	8.8
80.96518	55.6
81.03445	0.9
84.87303	0.4
85.02940	2.3
87.00876	2.7
94.98087	13.9
96.95981	0.9
97.02973	1.1
101.02461	2.2
106.98098	2.6
122.97581	4.1
125.02451	2.9
127.03998	0.9
134.97601	4.5
136.99127	1.0
148.91422	0.5
148.99139	5.1
152.98636	6.0
164.98630	11.6
179.78358	0.4
182.99680	1.7
206.99683	2.5
211.89117	0.5
225.00739	14.3
243.01723	1.5
255.23294	2.8
263.16553	0.5
299.04367	2.5
317.05206	0.5
483.85980	0.5
555.28418	100.0
556.28821	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	555.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.5
61.98832	36.4
71.01373	17.1
71.50571	6.2
73.02959	4.8
73.32232	4.0
75.00916	4.5
77.62332	4.3
85.02950	12.6
89.02428	6.6
97.36107	4.6
101.02450	8.0
104.69322	4.1
105.01920	5.0
107.10799	3.8
113.02428	10.4
115.00372	5.6
119.05036	8.7
123.04499	11.9
126.12924	4.5
127.07636	6.4
133.01436	7.5
161.04550	5.2
163.04031	13.7
171.06531	6.3
200.01828	3.9
277.34351	5.0
284.92960	4.6
301.24832	4.2
392.12888	5.7
421.01993	4.8
432.02200	4.3
519.31708	100.0
520.32324	7.1
555.16248	7.1
555.19531	4.5
555.29480	91.5
556.29504	9.1
583.65289	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	555.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10211	50.2
60.04911	56.7
61.28654	65.0
61.98824	100.0
99.72961	51.3
110.74982	60.4
129.80493	51.2
250.35823	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26881	0.5
55.01863	1.1
55.95396	0.6
57.03452	4.3
58.00600	1.6
59.01380	30.3
60.31944	0.4
61.98830	3.1
69.03458	0.6
69.42802	3.6
71.01384	25.2
72.99310	1.6
73.02946	3.5
75.00856	0.7
83.01379	2.2
83.05037	0.6
85.02953	7.1
85.06567	0.6
87.00880	1.9
87.04515	5.8
89.02448	15.6
95.01388	1.9
95.05006	0.9
97.06573	1.0
99.00869	1.2
99.08190	0.7
101.02446	14.3
101.06097	0.9
109.02929	0.6
109.06606	0.7
111.00916	1.0
111.08156	1.0
113.02447	7.8
114.05650	0.7
115.00373	8.5
115.07616	1.3
116.00754	0.6
119.03515	6.1
119.04981	1.1
121.02964	1.5
123.04555	4.5
123.08170	0.7
125.02416	0.9
129.09238	1.1
131.03551	0.7
133.01442	0.7
135.03075	0.6
135.04480	1.1
141.09189	0.8
143.03485	1.3
143.10724	0.6
153.05611	1.2
153.09218	1.2
159.10260	0.9
161.04523	2.2
163.03999	0.7
165.01875	0.7
169.12328	0.7
173.11856	3.0
179.03438	0.8
179.05623	1.9
184.40269	0.5
187.13351	2.6
195.06548	0.8
203.12903	5.7
217.14433	2.2
227.07045	0.7
229.08638	3.5
230.09055	2.6
230.11156	0.6
231.09300	2.2
255.10370	0.7
327.08765	0.7
343.08044	0.7
361.25803	1.1
375.27444	1.6
383.09760	1.8
393.14490	1.1
393.28580	17.4
394.28763	1.3
495.24652	1.7
555.15918	2.1
555.33844	100.0
556.34143	8.3
575.21625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
69.32117	19.2
69.32526	6.9
72.14858	3.2
98.20719	6.0
193.42258	3.3
205.21069	3.5
267.37717	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	557.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01388	1.0
61.98830	0.9
62.96874	0.5
71.01387	2.6
76.20901	0.5
77.45158	0.5
83.66795	0.6
96.96006	5.3
98.95590	4.6
98.96395	0.7
99.00860	0.9
99.08157	5.5
99.92574	18.5
100.92696	0.9
100.93342	11.2
111.00961	0.6
115.00370	2.4
115.92067	100.0
116.92062	2.8
116.92840	15.4
123.04528	1.1
126.94901	0.6
127.07634	1.3
129.05569	1.2
132.92368	1.2
134.51794	0.6
141.93608	0.8
142.94434	3.6
168.95967	1.7
170.93869	4.7
171.06602	0.6
172.95296	0.6
226.96536	10.4
242.96030	0.6
244.97546	29.6
245.97708	2.0
332.30313	0.6
334.37009	0.6
351.01782	2.3
369.02783	6.3
413.65436	0.6
477.08524	15.4
477.15213	1.1
478.08691	1.4
495.09540	13.6
495.16107	0.9
496.09848	1.1
527.08862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78543	0.4
50.79692	0.4
51.99336	0.4
59.01383	1.0
61.98837	0.5
65.37173	0.4
69.15383	2.0
69.15814	2.1
71.01379	1.2
72.99307	0.6
75.92147	0.3
79.43639	0.4
83.34436	0.3
86.95445	0.7
96.96008	5.0
98.95597	4.3
98.96284	0.7
98.97681	0.5
99.00867	0.7
99.08130	1.4
99.92580	29.4
100.92658	1.1
100.93377	3.4
114.94923	4.5
115.00333	0.6
115.91228	1.0
115.92075	39.1
116.92855	100.0
117.92866	3.4
121.02926	0.8
123.04535	1.4
125.02439	0.4
127.07612	1.2
129.05586	3.3
130.08725	0.9
141.93651	1.4
142.94426	1.2
158.93918	4.4
169.93102	1.8
170.93884	0.9
183.94606	0.6
184.95499	0.8
189.07648	4.7
199.00664	1.6
212.94853	0.6
224.94904	0.8
225.99406	0.8
227.00153	1.1
241.95305	1.5
242.95996	2.9
243.96727	2.8
244.97409	0.9
253.01663	0.4
254.99643	8.7
260.97067	3.2
261.97681	1.2
349.00220	0.7
379.04691	0.7
477.09128	0.6
503.06235	0.5
517.97272	0.5
521.07513	6.8
522.07666	1.3
557.09589	29.9
558.09717	3.6
558.29401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21592	0.9
57.03449	14.6
59.01383	21.6
61.37397	0.7
61.98830	3.3
62.48734	0.7
71.01389	2.9
71.50790	0.9
73.02943	1.2
77.03960	0.8
83.05020	0.8
85.02943	1.1
89.02446	1.5
95.05032	2.4
99.08160	60.2
100.08499	1.2
101.02451	0.8
105.03481	1.4
109.06596	1.4
113.02458	1.1
117.05615	1.4
123.04530	100.0
124.04869	2.1
127.07658	73.5
128.08034	1.9
129.05586	72.6
138.03258	0.9
153.05588	35.4
154.05988	1.4
163.04033	1.2
170.94254	0.9
171.06633	15.3
189.07733	2.6
203.05569	4.0
225.38135	0.8
232.24855	0.8
310.64005	0.8
327.10886	9.5
406.30356	0.8
521.33319	7.7
539.21747	0.8
557.22565	19.2
557.31097	12.8
558.22870	1.6
558.31360	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	557.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77510	1.4
59.01373	2.2
61.98826	3.6
67.89029	1.2
69.21384	4.5
69.21800	7.7
78.95905	65.2
80.49726	1.3
93.58248	1.5
96.96968	10.8
111.43388	1.4
127.07644	2.2
152.99590	89.7
178.20152	1.4
197.06006	1.4
223.00110	8.9
241.01181	22.3
241.08510	1.7
241.21721	70.7
242.22139	2.8
277.21753	7.0
279.23288	32.8
280.23636	18.7
315.04907	12.0
476.27780	6.1
497.19675	2.8
505.31104	6.7
527.82190	1.3
557.20349	4.0
557.27271	100.0
558.27539	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	557.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75807	9.7
56.97070	9.8
59.01379	15.9
65.18877	10.0
67.38325	10.8
69.12743	100.0
73.80255	10.5
91.10258	13.3
94.00781	10.7
101.28408	10.0
109.44764	10.0
165.07938	17.9
176.49281	11.4
261.31717	10.7
365.38696	10.6
482.42606	12.8
557.30579	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	557.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.4
59.01380	35.1
61.98826	25.7
64.54911	2.3
69.54988	15.2
71.01379	13.4
73.02950	4.1
80.21787	2.1
85.02934	5.8
89.02435	8.8
99.00835	2.4
99.08153	16.2
101.02458	12.3
113.02441	8.0
116.12512	2.3
119.03490	4.7
119.04998	3.4
121.02946	2.9
123.04543	12.1
127.07649	67.3
128.07970	2.5
129.05588	15.2
149.02397	5.0
153.05586	8.7
161.02478	3.0
161.04485	3.5
163.04080	3.1
164.04774	3.4
171.06618	54.6
172.06972	3.7
176.04694	3.2
190.02745	3.2
223.06076	3.3
245.01823	2.7
245.09186	6.7
253.04417	2.4
259.09521	2.6
273.13425	3.0
284.57562	2.6
325.09323	4.4
359.27957	3.8
385.18613	6.3
399.61566	2.5
521.33276	100.0
522.33521	10.3
557.18756	12.3
557.31122	70.2
558.31171	5.9
582.45178	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	557.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49320	0.1
61.98826	100.0
63.20226	0.2
68.48515	0.1
78.95911	0.6
152.99596	0.4
218.91307	0.1
255.23283	1.6
256.23679	0.6
257.23911	0.2
258.23935	0.2
428.98779	0.1
480.30835	1.0
483.32004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
58.00584	0.3
59.01375	4.6
65.32683	0.3
66.45203	0.2
71.01388	2.9
71.50918	0.2
71.51298	0.3
72.91557	0.2
72.99280	0.2
73.02937	1.6
78.95893	2.7
81.03460	0.8
83.01385	1.0
85.01548	0.2
85.02962	1.6
89.02433	1.6
96.96964	0.6
97.02968	0.2
99.00882	0.4
99.04504	1.1
101.02431	3.6
103.04005	0.5
107.15311	0.2
111.04492	0.2
113.02458	0.5
117.05584	0.5
119.03498	2.2
126.79910	0.2
127.03969	0.4
127.07634	0.3
135.06645	0.5
143.03511	0.2
152.99570	2.5
159.06537	0.5
161.04527	0.6
177.07684	0.6
184.53557	0.2
199.06136	0.4
201.07626	2.7
241.01248	1.5
241.21690	3.3
259.20566	0.3
275.20084	0.4
277.21695	100.0
278.22037	6.0
279.10794	2.7
297.11926	1.0
377.21158	0.4
557.27246	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	557.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76775	0.6
59.01377	100.0
61.98851	1.6
69.58904	3.2
69.59322	1.4
71.01382	5.2
72.01730	0.8
73.02947	1.3
78.95921	1.2
78.98582	1.1
79.95750	2.6
80.96513	17.9
80.98172	1.2
81.95319	3.2
81.96484	0.7
82.96097	14.8
82.96916	1.3
83.01408	1.2
85.02966	2.5
87.00893	0.8
94.98094	3.2
96.96017	0.7
96.97675	2.4
99.00890	0.8
101.02445	3.1
106.98035	0.8
108.97691	1.2
122.97593	1.4
124.97153	1.5
125.02419	1.5
134.97554	0.7
136.97177	0.9
148.99121	1.4
150.98758	0.9
154.98175	0.8
161.04530	1.3
164.98579	2.4
166.98193	2.0
208.99367	1.0
225.00763	2.9
227.00143	3.8
237.09779	5.7
255.23265	7.2
276.61673	0.9
277.21710	34.8
278.22141	2.2
287.57718	0.7
483.27243	1.4
490.03470	0.8
557.28577	57.6
558.28815	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	558.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39947	0.9
57.21904	0.7
59.01365	1.6
61.98826	1.8
63.67732	0.7
69.78127	4.4
70.30751	0.7
77.25435	0.7
78.95898	18.6
96.96943	1.4
98.19965	1.1
112.98409	0.7
140.01175	2.9
140.13210	0.9
149.40408	1.0
152.06934	0.8
152.99576	14.0
153.99902	2.3
196.03799	1.5
196.89565	0.8
214.04802	2.8
241.01128	3.2
241.21654	4.8
242.22060	6.9
279.23270	100.0
280.23618	4.5
315.04779	1.1
331.47192	0.9
432.16650	0.9
476.27750	26.9
477.28180	0.9
558.19989	1.1
558.27631	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	558.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.35904	0.4
103.06978	0.4
109.01163	0.5
109.01904	0.4
113.99319	0.4
132.02827	0.5
188.04799	0.9
217.08823	1.4
229.53070	0.5
276.06210	0.5
358.31665	0.4
587.25720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.49724	2.4
79.80280	2.4
81.54768	2.3
88.42578	2.0
96.96008	3.3
104.79789	2.4
115.42365	2.1
133.37811	2.6
162.79710	2.4
176.86568	2.4
196.88452	2.2
202.81572	2.2
224.83253	2.3
509.98108	2.3
510.05927	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	559.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37193	0.4
53.28717	0.4
59.01372	1.6
61.98835	2.5
63.54691	0.4
69.68197	2.0
69.68622	1.0
71.01376	16.4
72.99306	0.7
86.52400	0.4
87.00873	0.5
89.02401	2.4
93.03452	5.2
93.91708	0.4
96.99309	0.5
97.74821	0.5
98.19906	0.8
101.02439	0.5
111.00874	1.8
115.00365	22.1
117.03455	0.5
119.05022	24.2
120.05376	0.8
131.05026	0.9
133.01422	20.5
133.06621	0.5
143.05019	3.7
145.03009	0.6
145.06577	1.2
163.03999	13.0
176.04721	0.6
177.05466	0.5
190.74481	0.4
195.04437	1.1
197.09618	0.7
209.12180	0.5
211.07584	0.8
221.09750	0.7
222.06877	0.5
223.07671	1.2
235.07629	1.2
237.09177	8.7
238.09718	0.8
239.10675	3.6
253.08749	0.7
265.08667	3.1
283.09763	11.0
284.10004	1.2
291.10815	0.5
309.07736	1.6
327.08707	100.0
328.09018	7.2
443.09790	1.4
502.78311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
60.55027	0.6
71.01375	20.5
72.99300	3.3
73.45331	0.8
87.00882	1.0
87.26429	0.7
87.72783	0.7
89.02424	3.4
93.03452	3.6
101.02415	0.9
101.70059	0.6
102.05602	0.6
107.05014	0.6
115.00362	42.7
117.56682	0.6
119.05012	13.7
121.02952	1.3
128.03613	0.7
132.05782	0.8
133.01421	100.0
134.01761	1.1
140.58861	0.5
143.05031	1.5
145.02927	0.6
145.06554	1.3
151.03990	1.5
163.03981	7.5
176.04967	0.7
195.04474	1.3
204.88654	0.6
209.06059	1.0
210.06995	0.6
211.07703	0.6
223.07726	0.8
235.07430	0.8
237.09227	6.6
238.09880	0.8
239.10765	2.6
250.27272	0.5
253.04642	0.6
283.09735	14.7
284.10321	0.7
327.08694	79.5
328.09091	4.9
397.15237	3.7
443.09860	1.5
452.34149	0.6
461.98822	0.6
559.27698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
56.28611	0.8
57.03229	0.8
57.03449	7.3
59.01376	20.7
61.98819	4.9
69.03456	2.4
71.01376	11.9
71.50960	1.3
72.99323	1.3
73.02940	9.1
75.00874	3.2
80.96515	1.2
83.01398	5.4
85.02947	5.5
85.76544	0.7
89.02437	7.2
94.98077	1.1
95.05034	1.1
96.95985	0.9
99.08155	47.5
101.02441	19.8
105.01949	2.3
105.03451	1.0
109.06606	1.6
111.00876	1.6
113.02443	8.6
113.12206	0.7
115.00332	2.2
119.03526	2.9
119.05008	3.5
123.04515	80.0
124.04881	1.4
125.02464	1.5
125.06081	1.1
127.07648	82.1
128.07954	1.3
129.05573	100.0
130.05946	2.1
131.03506	3.4
133.01427	2.2
143.03464	2.4
149.02409	1.0
153.05566	55.7
154.05893	1.3
159.02838	0.9
161.04547	11.5
163.04008	2.1
167.07098	1.2
168.48566	0.8
171.06613	27.1
171.08096	1.3
185.08139	2.5
189.07700	2.5
195.06662	0.9
207.06558	0.9
213.07584	1.6
231.08698	14.5
243.08667	0.9
263.05258	0.8
273.09631	1.8
283.09802	1.4
285.09753	14.3
291.10843	9.6
327.08792	5.3
344.93842	0.9
361.18597	3.9
407.28201	0.9
443.16623	0.9
457.17175	8.7
515.11469	1.1
552.18695	0.8
559.20142	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	559.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.5
59.01377	8.5
61.98820	4.1
69.20164	1.2
69.36637	2.7
69.37029	8.8
71.01374	9.6
73.02908	1.1
85.02951	2.8
90.87962	1.1
93.03490	1.4
95.05010	2.9
99.08154	54.5
101.02433	4.5
105.01933	1.6
113.02438	3.4
115.00344	3.9
115.92039	1.4
116.92834	4.3
119.03471	1.8
119.05043	5.9
123.04520	100.0
127.07644	62.8
128.07979	2.1
129.05579	73.8
133.01370	2.4
138.03264	1.7
145.06558	1.5
153.05573	57.0
154.05841	1.2
161.04515	8.9
163.04001	1.7
164.23997	1.2
167.07156	1.4
171.06618	22.1
189.07660	6.8
282.07373	1.2
285.09787	17.9
327.08728	15.5
353.06668	1.7
364.72638	1.4
439.16281	2.5
457.10599	2.3
457.17105	49.0
458.17105	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	559.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.7
59.01368	2.8
59.40751	0.3
60.31051	0.3
61.98821	0.5
69.46799	1.8
69.47211	0.9
71.01373	5.2
72.99313	0.4
73.02930	0.5
77.03954	0.4
81.07097	0.4
85.02942	1.6
89.02446	0.7
93.03476	0.4
95.05011	2.4
96.44772	0.3
99.08150	35.3
101.02416	2.5
105.03457	1.4
109.06566	1.3
113.02456	1.9
115.00380	2.8
115.92056	0.4
116.92841	1.0
117.92867	0.9
118.92652	0.7
119.03512	1.9
119.05001	3.7
121.02936	0.6
123.04515	100.0
124.04863	2.0
127.07643	53.6
128.07990	0.9
129.05573	17.7
133.01427	2.6
138.03201	1.0
149.02423	0.9
153.05563	55.1
154.05902	1.1
161.04535	8.0
161.05879	0.4
163.03996	1.0
171.06606	12.4
189.07645	2.6
239.10921	0.4
285.09753	17.6
286.10233	0.4
293.41177	0.3
323.75031	0.4
327.08707	9.6
353.06613	0.6
404.53162	0.3
436.28333	0.3
457.17084	13.9
458.17419	0.5
523.07300	0.4
559.10004	0.8
559.20435	1.6
561.62183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.2
61.98816	2.9
65.13694	0.9
70.85533	0.9
71.01371	3.7
73.02943	1.3
89.02431	2.2
101.02423	3.0
111.08151	6.0
113.02419	1.9
139.85210	0.9
161.04469	1.5
163.88663	1.1
167.10721	1.6
179.10777	1.4
195.13889	3.2
220.14113	1.0
235.08163	1.7
247.20569	1.3
253.09277	13.6
263.20123	100.0
264.20483	6.3
291.19635	81.9
292.19925	4.6
525.42767	1.0
539.14642	1.1
559.27783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3256
Annotation	Montanin
Peak:m/z	Relative Intensity
52.33199	2.5
57.03449	4.1
59.01378	39.4
61.98839	21.2
65.00314	3.3
69.18155	25.9
70.10370	2.6
71.01377	22.5
73.02946	2.7
79.24352	2.7
82.95387	2.4
83.01395	5.1
85.02936	7.5
87.00851	3.6
87.92874	2.8
89.02414	16.0
96.95987	3.8
99.08178	9.8
101.02441	9.9
104.10232	2.5
113.02433	6.9
115.00365	5.3
119.03490	6.7
119.05046	6.5
123.04551	5.7
125.02422	3.9
127.07632	15.5
129.05615	12.6
133.01414	3.9
133.76437	2.6
137.73717	2.9
143.03467	4.5
151.00343	17.0
152.01062	3.9
153.05566	8.9
161.04561	5.9
163.04033	4.2
171.06638	4.6
178.99866	16.1
179.05626	5.5
215.07135	4.9
226.54350	2.7
237.09229	5.4
314.98981	2.8
327.08731	7.7
353.06766	7.2
390.79651	2.7
397.09201	11.2
499.29251	6.1
517.30713	3.1
518.84314	2.7
523.34845	21.1
524.28461	10.4
541.26331	2.8
559.14362	21.1
559.32544	100.0
560.32397	9.7
568.69214	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	560.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87483	0.7
51.31810	0.7
57.03470	0.8
58.00588	1.4
59.01377	38.4
59.63747	0.8
61.98818	5.8
63.00816	0.9
69.40291	2.8
69.40713	3.0
70.66339	0.7
71.01376	18.4
72.00892	2.5
72.04511	1.1
72.99311	1.5
73.02947	2.5
74.02466	45.8
83.01376	1.8
85.02940	4.7
87.00867	1.5
87.04546	0.9
87.18823	0.7
88.61092	0.9
89.02444	10.7
89.96651	0.7
95.01389	1.7
99.00945	0.8
101.02435	9.5
104.03532	9.4
113.02442	5.9
114.55595	0.6
115.00359	1.7
119.03498	2.5
119.05012	2.4
120.05377	0.7
126.64528	0.7
127.07608	1.1
161.04591	1.1
163.03960	1.1
164.04358	1.3
248.20160	1.8
274.91037	0.9
283.09641	1.2
284.10095	1.6
294.19244	0.8
325.20181	1.7
327.08612	3.5
328.09073	6.4
350.23218	2.5
368.24304	1.0
501.30576	3.8
512.28137	0.8
519.31720	1.9
530.29669	15.7
531.29987	1.6
542.29700	2.5
560.30688	100.0
561.31189	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	561.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34143	1.4
58.02963	3.4
59.01384	6.9
60.99294	1.7
61.98819	3.1
69.17988	15.4
71.01375	5.0
77.44287	1.4
77.85601	1.2
79.84853	1.3
88.98801	6.6
89.02446	3.7
92.05056	6.6
93.03460	1.8
101.02409	4.1
111.00846	1.6
115.00361	2.9
116.05099	2.7
118.06632	10.9
128.05052	19.6
131.03763	12.7
133.02872	2.0
133.06586	3.6
134.06062	1.7
144.04541	81.1
145.05275	5.8
146.06107	100.0
147.06448	2.9
158.06100	6.5
160.04028	3.1
172.04034	6.5
178.05098	1.8
180.10004	1.4
187.12479	1.6
190.05078	37.7
192.99199	1.5
200.31645	1.4
205.09775	4.6
249.08783	2.3
250.42183	1.7
252.10226	8.7
296.09222	17.9
355.12878	4.4
458.14493	51.8
459.14856	5.3
502.32776	1.7
517.18274	39.0
518.18616	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	561.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.0
59.01378	8.2
61.98819	1.3
71.01377	5.1
71.50507	0.7
73.02937	1.3
83.01416	0.6
85.02956	1.7
88.98806	1.7
89.02451	2.4
89.13108	0.6
99.08154	38.1
100.08479	1.2
101.02441	3.0
107.05001	1.4
113.02434	1.8
115.00322	1.0
119.03488	0.9
119.05061	0.7
120.02180	1.6
123.04517	4.1
124.04860	1.2
127.07648	54.0
128.07983	1.9
129.05579	63.6
130.05917	2.0
138.03217	6.4
145.02922	0.8
153.05566	100.0
154.05899	3.9
161.04538	5.4
171.06624	11.1
192.57877	0.6
235.08208	2.2
341.97839	0.7
358.31082	0.6
370.10791	0.6
389.09406	1.3
389.14423	13.8
390.15295	0.6
459.17712	1.4
468.28415	0.7
543.21375	1.0
561.21887	20.9
562.21960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21827	1.1
59.01368	3.8
59.51296	0.8
60.11424	0.8
61.98829	69.1
64.52270	0.9
70.97819	0.9
70.98186	2.1
78.95905	10.4
114.65057	1.0
121.64608	0.9
140.01134	2.4
169.13899	0.9
196.03734	1.7
214.04810	3.0
279.23267	100.0
280.23553	6.6
348.78085	0.8
364.20950	3.6
397.84201	0.9
476.27765	26.3
477.28271	1.2
526.87354	1.1
561.25537	18.5
562.25604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
56.19738	0.9
57.03439	2.5
59.01379	57.3
61.98820	4.5
69.03476	2.0
71.01009	1.8
71.01379	23.7
71.05009	1.5
71.50361	1.0
71.50771	1.1
72.62529	1.0
72.99319	1.1
73.02947	5.9
76.36311	1.0
80.75187	0.9
81.03466	1.8
83.01382	3.0
83.05042	5.5
85.02955	8.3
85.06602	1.3
87.00864	4.4
89.02441	14.6
94.81104	1.0
95.01367	2.5
95.05005	1.2
97.02917	2.0
97.06579	2.7
99.00893	1.2
99.04488	1.7
99.08160	2.2
101.02439	21.1
109.06578	3.0
111.00858	1.5
112.05318	1.6
113.02451	11.7
115.07651	2.4
119.03490	5.9
119.04980	1.0
123.04549	1.6
125.02449	1.6
125.06055	1.3
125.09729	6.3
127.07649	5.9
127.11271	1.8
135.08157	3.3
137.09737	1.4
138.06944	1.5
143.03477	2.4
149.09726	1.1
153.09206	27.4
153.99052	1.2
155.10716	2.2
161.04568	7.9
163.11276	4.0
165.12860	2.4
171.10254	36.8
178.09955	4.0
179.05554	2.0
181.12350	1.9
185.11810	7.9
191.10764	2.2
191.14371	1.4
197.11824	9.1
209.11812	71.2
210.12114	3.1
227.12923	1.5
234.07034	1.0
235.08052	1.0
236.10439	1.8
238.12073	2.3
243.60846	1.0
245.19022	3.1
251.16510	1.4
253.09256	34.1
254.09424	1.4
263.20157	2.0
279.19553	2.2
289.18042	11.6
297.20682	3.3
307.19131	100.0
308.19345	6.1
325.20163	57.8
326.20651	2.9
339.25317	2.1
357.26273	1.7
371.20566	1.3
373.22137	1.5
389.21765	2.3
407.19107	1.7
441.28873	1.2
474.21063	3.0
483.29559	1.9
501.30719	19.2
502.30685	1.4
519.31732	9.1
543.28131	28.5
544.28375	1.6
546.32599	1.0
561.28961	12.1
562.29547	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	561.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98825	1.8
113.09729	0.4
120.44525	0.4
179.14362	0.5
195.13887	6.9
196.14517	0.5
205.12305	0.7
211.13428	0.6
223.13368	5.0
224.14001	0.5
228.13637	0.8
256.13144	1.1
275.20071	4.0
293.21213	100.0
294.21570	6.1
414.06357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56006	0.6
53.77150	0.6
55.01876	2.4
55.10003	0.9
57.03447	3.6
58.00592	1.0
59.01375	100.0
60.45035	0.7
60.95345	0.7
64.38283	0.6
66.83852	0.6
69.03452	1.4
71.01376	31.0
71.05026	1.4
72.99306	1.4
73.02946	9.3
74.02473	2.2
75.00884	0.7
83.01382	6.4
83.05029	1.2
83.22522	0.7
85.02940	16.9
85.06599	0.9
86.00100	0.8
87.00878	3.0
87.04527	1.2
89.02457	8.1
93.07108	4.1
95.01400	2.3
96.12246	0.8
97.02980	2.2
97.06563	0.9
99.00863	4.2
101.02431	20.8
111.00887	2.1
112.01685	1.1
113.02443	14.3
119.03515	3.1
124.01650	2.4
125.02397	3.3
137.09732	2.4
143.03516	2.8
159.03015	2.0
159.75107	0.7
161.04507	4.3
165.12871	0.9
166.78337	0.8
185.15427	1.8
199.17262	0.7
201.14958	1.2
209.15396	0.8
215.23100	0.7
225.46005	0.7
227.16533	5.2
229.18034	3.3
229.45216	0.8
279.23120	0.8
303.23032	1.2
321.24307	1.0
322.24457	0.8
331.20786	0.8
339.25452	2.6
344.18555	1.0
357.26587	5.0
362.19583	2.2
371.20667	5.4
372.21429	1.3
373.22415	2.7
389.21707	11.7
390.22510	3.4
391.23535	2.9
422.21732	3.2
429.24921	1.1
434.61069	0.8
441.28802	2.8
453.28751	2.2
465.28769	3.3
471.29666	1.7
483.29483	4.5
501.30655	72.3
502.31070	7.1
519.31696	37.1
520.32239	2.8
531.29950	0.9
550.09113	0.9
561.31592	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	561.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03445	0.9
59.01377	100.0
60.01728	0.7
61.98830	2.9
62.85133	0.2
69.03439	0.3
71.01382	7.0
71.01784	0.4
71.50384	0.5
72.99311	0.8
73.02938	2.0
73.16289	0.3
74.02481	0.4
75.00868	0.6
83.01396	1.0
85.02953	3.8
87.00877	0.7
88.98854	0.4
89.02430	2.5
91.81582	0.3
95.01391	0.7
99.00889	1.3
99.08166	0.6
101.02441	4.4
101.06097	0.4
109.06595	0.5
111.08152	0.4
113.02446	3.7
119.03506	0.5
119.05034	2.1
123.04531	0.4
125.02472	0.5
128.48412	0.3
129.02031	0.3
143.03503	0.6
145.02991	0.3
147.04543	0.9
159.03012	0.5
161.04561	2.1
162.05086	0.3
163.04002	4.1
179.05658	0.3
189.07631	0.3
196.84746	0.3
197.11807	0.3
203.03694	0.3
205.22131	0.3
209.11848	1.2
311.22266	0.4
317.47534	0.3
357.26611	1.6
407.21884	0.3
501.30621	3.6
502.31619	0.3
519.31775	4.5
561.33447	3.8
562.32458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71108	0.8
59.01366	1.3
61.98829	1.9
69.49840	5.1
71.01386	1.5
80.76762	0.7
98.19920	1.6
102.14503	0.6
106.04245	9.6
108.02195	5.1
113.06079	0.9
113.84866	0.7
138.03200	1.9
141.09203	1.1
174.46645	0.7
211.13420	1.9
221.57597	0.7
283.17010	3.8
293.21185	1.4
297.18610	4.2
361.27448	8.1
454.30939	5.2
455.31339	1.3
486.29913	3.1
561.35815	100.0
562.36182	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	562.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08952	1.1
55.01877	2.7
57.03439	2.7
59.01377	98.4
60.01712	2.8
61.98829	41.3
69.03456	1.3
69.13583	10.3
69.13998	2.7
71.01377	32.5
72.99300	1.5
73.02944	14.0
74.02487	3.8
81.03481	1.1
83.01397	6.1
85.02943	11.3
87.00867	3.4
89.02445	13.1
95.01379	2.7
97.06579	1.4
99.00865	2.6
99.08180	1.9
101.02438	21.4
102.02754	1.7
109.06551	1.8
111.00851	1.5
113.02453	15.6
115.00399	1.8
116.92829	1.6
119.03519	5.8
119.05148	1.5
123.04498	2.3
125.02484	1.4
127.07649	100.0
127.82907	1.3
128.07957	2.7
129.05618	1.2
131.03503	1.6
137.09731	1.5
143.03510	2.6
153.05603	2.7
157.12387	1.4
159.02957	1.7
161.04596	8.3
163.03957	1.3
171.06621	59.7
172.07011	1.6
179.05621	2.1
185.15479	1.2
202.02943	1.1
207.58667	1.0
208.88347	1.2
211.13542	1.3
222.20178	1.2
232.16431	1.2
253.09251	4.0
319.17560	1.9
325.20245	6.1
326.20596	4.5
329.91293	1.3
339.25156	1.3
357.26389	2.4
393.13998	97.7
394.14270	5.0
484.30051	1.6
501.30499	9.5
502.30972	10.4
503.32166	16.6
516.90704	1.3
519.31659	4.2
520.32019	5.3
521.32721	6.0
561.28973	1.4
562.19055	1.6
562.32623	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	562.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14100	0.2
59.01377	0.4
61.98825	100.0
65.39387	0.2
70.36772	0.4
77.37829	0.2
123.66586	0.2
196.14345	0.3
264.20535	0.4
265.52573	0.2
293.21231	2.5
294.21500	2.9
311.55612	0.2
388.54233	0.3
563.30389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.90451	0.5
58.65596	0.6
59.01372	1.4
61.98835	9.2
65.09274	0.5
66.40790	0.5
67.34246	0.5
68.64783	0.6
68.92583	0.6
70.61359	1.8
71.01372	0.8
78.59399	0.7
78.95904	7.3
80.35767	0.5
82.18403	0.5
82.67223	0.5
83.37128	0.6
90.55216	0.6
93.97173	0.5
119.05009	1.7
123.04500	1.5
140.01224	2.7
152.99554	0.9
155.14467	0.6
163.04050	2.0
165.12846	1.2
181.12317	1.0
196.03842	1.6
199.13400	21.1
214.04895	4.0
279.19675	4.7
297.93250	0.6
347.25952	6.2
365.26956	100.0
366.27347	6.4
369.07797	1.1
562.31531	23.3
563.32257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03442	1.6
58.00572	0.6
59.01377	14.6
60.99278	0.6
61.98802	1.0
69.11285	0.5
71.01378	12.4
72.00900	1.6
72.99307	0.7
73.02944	3.0
74.02471	53.9
77.63574	0.6
82.51132	0.6
83.01390	3.2
84.04562	0.5
85.02950	4.5
87.00867	1.4
89.02435	3.6
95.01355	1.1
99.00872	0.8
99.08155	1.2
101.02444	7.3
104.03534	8.7
104.18174	0.6
113.02450	3.5
119.03484	0.7
121.26276	0.5
129.09216	1.5
142.38565	0.5
161.04462	0.7
196.17149	0.7
208.17061	5.9
208.25189	0.6
229.44751	0.8
231.30360	0.7
273.93646	0.6
295.22977	0.7
302.24576	0.7
320.25995	0.9
338.26898	0.9
352.24829	1.6
370.25882	1.7
514.29663	1.6
532.31244	17.1
533.31323	1.6
544.31091	1.3
562.32269	100.0
563.32605	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	562.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03440	1.6
58.00589	1.2
59.01383	26.0
59.72982	0.5
60.01719	1.0
61.22367	0.5
61.98833	7.5
71.01011	1.0
71.01387	14.9
71.50729	0.6
72.00897	1.7
72.04554	0.7
72.99313	1.7
73.02956	3.7
74.02477	47.0
83.01389	2.8
85.02957	7.4
86.00100	1.0
87.00877	2.4
89.02434	4.9
95.01386	1.5
97.06582	0.5
99.00887	2.0
99.08154	3.5
99.75920	0.6
101.02460	8.8
104.03534	6.1
109.06634	0.5
111.00811	0.6
113.02448	4.7
113.09682	0.9
115.00375	0.8
119.03528	1.6
119.05025	1.3
123.04533	4.1
127.07661	14.2
129.01915	0.5
129.05563	3.0
129.09244	1.2
135.04387	0.5
147.04515	1.0
153.05563	1.3
161.04564	1.0
163.04022	3.2
164.04343	0.9
171.06638	15.4
171.10291	0.5
179.05466	0.5
196.17058	0.9
208.17081	5.4
295.09634	1.0
295.22791	0.8
302.24689	0.5
320.25967	1.3
327.21741	0.6
338.27029	0.7
351.12955	7.0
352.24973	0.6
370.26093	2.1
401.10898	0.6
457.17349	1.1
458.17902	0.9
459.29858	0.7
475.29294	1.2
502.31207	1.6
514.30255	1.5
515.75232	0.6
520.31708	0.8
532.31299	14.3
533.31244	1.5
544.31140	2.2
562.32306	100.0
563.19098	0.6
563.32953	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	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24353	4.4
58.59368	4.8
59.01368	17.2
61.98830	14.9
69.77214	27.1
71.01383	34.4
72.99298	6.2
82.80859	4.8
83.01374	6.6
87.00871	21.2
89.02428	5.7
92.79565	5.6
93.03442	36.0
96.96035	7.9
99.00932	7.6
101.02402	7.2
105.01923	6.7
113.99597	14.6
115.00362	90.0
119.04967	8.0
123.04501	20.6
133.02966	10.7
147.04486	5.3
157.01402	21.6
165.05589	15.2
175.02458	100.0
193.05051	6.3
221.04491	46.0
226.89690	5.2
275.68500	4.7
304.83160	6.0
315.75449	5.0
383.09888	20.6
401.12057	5.4
494.65152	5.3
563.16193	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	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34314	6.5
71.01381	55.0
72.99308	14.5
85.02991	1.3
87.00865	1.9
89.02473	1.3
96.99321	2.2
101.02474	1.4
105.03497	2.2
113.02448	2.3
113.92848	1.1
115.00365	61.0
123.04522	65.4
124.04803	1.6
132.02213	1.2
133.01425	20.8
133.02953	17.6
134.03735	1.9
135.04521	58.2
136.04814	2.1
161.02440	39.9
161.04411	5.4
162.02827	1.4
164.30681	1.3
179.03496	66.1
220.75035	1.2
256.84894	1.1
277.05521	2.0
285.09824	12.9
295.04483	2.6
320.12973	1.1
326.66907	1.2
383.09784	27.7
384.09634	1.4
401.10870	100.0
402.11270	3.4
547.53778	1.2
563.13904	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	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96283	1.2
64.12154	1.2
69.41159	9.9
70.32042	1.3
71.01376	74.0
72.99306	19.4
95.05007	1.5
96.99324	2.5
98.19790	1.4
101.02428	1.8
105.03410	1.6
110.57842	1.3
115.00365	80.0
116.00730	1.4
123.04518	88.6
124.04865	2.4
129.62947	1.4
133.00473	1.9
133.01427	23.7
133.02940	29.6
134.03694	4.2
135.04517	85.4
136.04807	1.9
161.02429	50.7
161.04405	6.1
179.03487	66.9
180.03952	1.7
285.09753	12.8
286.10001	1.4
295.04376	1.8
374.10690	1.6
383.09778	33.9
401.10840	100.0
402.11246	6.4
447.50537	1.3
563.14105	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	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	7.1
69.99000	25.5
71.01378	17.5
87.00880	19.1
87.68929	6.9
93.03465	33.0
98.20554	8.4
101.43313	6.4
113.99577	14.2
115.00383	64.1
133.03017	8.2
153.26181	6.6
157.01457	15.3
165.05560	21.3
165.12914	7.4
173.60631	6.7
175.02483	100.0
177.05447	8.7
221.04491	30.7
295.75494	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	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21460	1.3
70.24487	4.9
71.01393	7.3
72.99304	1.4
73.02950	43.6
77.37489	1.2
83.01381	2.8
85.02963	3.1
87.00879	28.8
93.03426	2.0
95.01410	3.9
96.96011	1.3
98.97366	1.4
99.00893	11.9
101.02460	2.7
105.01897	1.3
111.00871	5.0
112.98811	8.9
115.00388	1.2
116.92865	12.0
117.01944	88.8
123.00869	8.6
129.01955	2.3
133.01515	1.7
133.02904	1.2
135.04509	1.6
138.03223	5.6
142.99854	4.9
145.01425	2.9
149.06053	1.5
150.04283	2.0
151.00369	1.7
151.03966	1.3
153.05540	5.1
161.02446	7.6
163.03964	7.3
164.04797	5.7
165.05554	3.7
166.02696	2.9
173.00925	35.3
174.01656	8.8
174.03107	2.6
175.04010	3.7
176.04756	6.1
177.01924	1.7
177.05618	1.3
178.06378	9.7
179.03529	10.4
179.07127	9.4
181.05066	5.3
188.04773	1.5
190.02679	2.2
191.03477	6.8
191.07109	4.0
193.08691	15.0
194.05827	14.3
203.03513	4.1
205.05074	3.7
206.05838	6.9
209.08176	18.1
218.05833	1.8
219.02943	4.0
219.06721	1.6
221.04501	1.7
221.08112	8.5
231.03094	1.5
233.04460	1.5
233.08179	2.2
234.05260	3.7
235.05977	1.7
237.07686	1.9
245.04353	1.6
247.02446	6.8
249.07721	8.5
250.04883	1.6
261.04007	3.9
262.04840	11.3
264.06451	1.3
265.07187	12.4
276.06314	4.6
277.04132	2.4
277.07144	35.5
278.07535	1.5
283.08121	2.9
291.08853	3.0
295.08151	2.2
309.09555	1.5
325.09244	2.1
337.09286	40.4
383.09741	2.6
427.12341	3.0
439.12784	1.7
563.16150	100.0
564.05286	1.4
564.16614	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	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28132	2.0
58.00573	3.9
59.01376	100.0
61.98829	43.2
64.05737	2.1
71.01379	59.4
71.49778	3.0
72.99306	11.6
73.02937	4.2
75.00848	4.9
83.01377	2.9
85.02953	11.9
87.00873	7.4
89.02441	76.8
90.42694	2.3
93.60472	2.2
95.01394	2.7
96.96008	5.1
99.00842	2.7
99.53538	2.6
100.35081	2.6
101.02447	29.6
113.02442	22.6
115.00365	18.0
116.92873	4.6
119.03489	31.0
119.05020	2.5
121.02979	2.9
123.04491	5.3
131.03470	5.5
133.01399	6.5
141.02452	2.4
143.03510	6.8
161.04538	17.7
163.03940	3.3
174.01657	5.6
175.02483	7.0
179.05609	64.4
179.07024	3.6
180.06107	2.9
203.63956	2.3
221.06514	4.2
313.49197	3.0
323.09933	5.2
323.42990	3.0
338.08820	3.0
401.11890	2.9
447.14441	2.8
513.91107	2.6
563.15491	19.2
564.16046	3.4
564.24078	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03442	6.6
58.00591	1.3
59.01378	53.1
60.01719	1.0
61.98823	5.9
63.82008	0.6
69.55323	1.8
69.55755	2.5
71.01380	23.2
71.05024	1.2
72.01749	0.6
72.99306	1.6
73.02943	5.3
75.00873	1.1
77.03989	0.7
83.01384	3.2
83.05035	0.8
85.02951	11.1
86.00097	0.9
87.00883	2.3
89.02445	7.1
95.01379	2.9
95.05034	2.1
97.02956	0.7
98.19813	1.0
99.00866	1.8
99.08153	15.7
101.02444	14.0
105.03464	1.5
109.06586	0.9
111.00875	1.2
113.01730	0.8
113.02457	11.1
114.02699	0.7
119.03490	2.9
119.34939	0.7
121.02909	1.0
121.10233	1.7
123.04520	100.0
124.04852	2.1
125.02439	1.2
127.07645	24.7
129.05576	25.0
133.99352	0.8
143.03499	2.3
146.69910	0.6
147.04514	0.9
153.05568	15.9
157.12311	3.2
159.02983	1.0
161.02509	0.9
161.04549	12.2
163.03992	1.0
171.06615	5.5
189.07721	1.3
221.06729	1.5
253.09247	1.2
285.09784	31.7
286.10153	2.3
319.17593	2.0
327.21445	1.3
341.26883	1.1
345.19116	2.0
347.20706	1.2
359.27963	3.0
391.14270	0.9
401.11035	1.1
457.16861	3.4
467.30185	0.8
485.31134	1.3
503.32202	39.9
504.32480	2.7
520.32318	0.7
521.33215	20.5
522.33875	1.3
563.21564	2.1
563.34479	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	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62631	6.2
59.01389	37.4
61.98830	55.3
70.29311	5.9
71.01376	12.2
82.43002	6.9
89.02389	6.8
96.95985	7.6
101.02443	6.8
133.01474	6.2
253.09328	16.6
291.19669	100.0
451.26779	8.2
527.28711	26.3
553.96808	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	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62631	6.2
59.01389	37.4
61.98830	55.3
70.29311	5.9
71.01376	12.2
82.43002	6.9
89.02389	6.8
96.95985	7.6
101.02443	6.8
133.01474	6.2
253.09328	16.6
291.19669	100.0
451.26779	8.2
527.28711	26.3
553.96808	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	563.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	45.9
61.98825	80.9
66.27206	10.9
71.01376	14.5
71.50826	11.4
82.00590	14.9
91.13794	11.5
101.02469	9.8
115.00378	12.1
120.32651	10.2
121.02945	25.1
123.04509	11.1
125.90971	12.1
135.04515	12.3
137.02374	11.1
149.63731	9.8
167.14400	22.0
211.13377	41.2
229.14403	48.2
253.09169	28.0
254.05661	14.9
255.06776	11.2
274.04843	32.4
291.19604	100.0
295.19217	14.1
386.86282	12.1
389.44022	12.1
391.07907	23.2
394.58087	11.9
401.11267	12.2
514.68866	12.9
527.28284	43.0
563.26648	16.9
563.34961	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	563.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.01799	0.6
57.03456	4.2
58.00574	0.6
59.01379	38.2
61.02261	0.6
61.98497	0.9
61.98828	17.7
69.03449	2.3
69.20779	0.6
71.01382	21.9
71.50703	0.9
72.99306	2.2
73.02952	3.8
76.71439	0.5
83.01376	2.7
83.04987	1.1
85.02949	17.3
87.00886	1.6
88.98802	0.9
89.02448	10.4
95.01388	1.5
97.02954	1.7
97.06612	3.0
99.00886	1.8
99.08173	1.2
101.02446	11.9
111.00889	1.3
113.02452	9.2
115.00380	3.6
115.03963	0.7
116.66796	0.5
119.03478	3.3
119.04967	1.2
123.04546	4.6
125.02441	2.1
125.06070	1.0
125.09726	0.8
127.07655	2.7
127.11275	1.4
129.05566	1.7
133.01476	0.9
133.02962	0.6
135.04492	2.3
137.09717	3.2
143.03519	1.4
153.05574	1.5
155.10777	0.8
161.02434	1.6
161.04550	7.5
163.04001	1.3
165.12784	0.6
171.06596	1.3
171.10266	31.2
177.12968	0.8
179.03502	1.1
179.05597	2.2
183.13870	3.8
185.11795	0.7
201.11304	1.5
209.08165	2.0
211.13377	11.5
221.11874	1.5
227.03520	1.7
229.05093	1.0
229.14429	5.9
239.12883	1.5
253.09262	33.8
254.09648	1.1
255.02937	4.2
284.03235	8.4
285.03998	9.0
291.19650	2.4
295.11829	1.3
309.20642	1.3
327.21747	100.0
328.22165	6.1
341.26334	0.6
357.26379	0.9
359.27975	2.1
383.09756	0.9
394.14313	1.5
401.10724	2.9
447.09161	9.5
448.09692	1.5
468.57401	0.7
503.32199	20.6
521.33496	5.9
521.73615	0.7
545.09515	1.5
563.31799	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	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81315	0.5
59.01377	14.5
61.98809	0.5
69.21068	5.3
71.01374	2.6
73.12135	0.5
82.11640	0.5
89.02437	2.2
93.65472	0.5
93.71559	0.5
98.19939	1.0
101.02438	2.0
105.73826	0.5
113.02445	1.6
119.03512	0.7
121.34296	0.5
161.04547	1.0
162.13464	0.5
215.02809	0.5
253.09277	12.2
266.80899	0.7
267.23264	100.0
268.23611	5.4
268.27972	0.6
312.73291	0.6
332.00848	0.6
447.31424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20145	0.3
55.01886	2.3
57.03450	7.1
58.00613	1.1
59.01381	100.0
60.01727	0.7
61.98834	3.2
68.99841	0.3
69.03462	1.8
69.43402	2.1
71.01384	31.8
71.05027	1.2
72.01740	0.7
72.99329	1.8
73.02949	8.6
75.00871	0.4
80.65003	0.4
81.03451	0.8
83.01390	5.9
83.05022	0.6
85.02953	16.5
85.06605	1.5
86.00116	0.9
87.00881	3.0
87.04538	0.6
89.02445	10.3
93.07118	1.5
95.01398	3.3
97.02940	2.0
97.06585	1.1
99.00883	3.7
99.08150	2.2
101.02450	21.4
111.00874	2.0
111.08192	1.0
112.01696	1.1
113.02453	17.5
114.02778	0.4
115.00396	0.6
115.04015	0.9
119.03503	4.0
119.08704	0.4
123.04534	2.5
123.08084	0.5
124.01673	1.5
125.02453	3.0
127.07682	2.6
129.01921	0.6
129.05566	3.2
131.03537	0.5
133.10229	0.7
137.09720	2.3
141.02029	0.6
141.09222	1.4
141.12837	0.5
143.03511	4.6
149.04527	0.6
151.11205	0.4
153.05623	1.4
153.12929	0.5
159.02963	2.1
159.10222	0.9
161.04550	8.2
163.04007	0.6
171.06628	0.6
171.13910	5.7
173.11885	1.1
179.05617	0.6
185.15463	2.2
196.05295	0.7
199.17058	1.3
211.17049	1.2
221.66302	0.3
224.04837	1.3
229.18100	0.7
239.07182	1.3
251.20215	0.5
271.22833	0.6
285.09903	0.4
315.18127	3.4
315.25366	0.8
327.21817	1.2
329.19635	1.3
333.19211	4.8
341.26929	1.8
347.20694	4.7
355.21262	1.4
359.28049	9.7
360.28201	0.7
373.22369	3.6
391.23541	1.0
404.80188	0.4
433.28061	1.0
455.30286	1.8
457.91644	0.4
459.29968	0.4
467.29770	1.7
471.23935	0.4
473.31073	1.3
485.31213	2.0
503.32263	95.9
504.32587	8.5
519.24451	0.4
521.33301	44.7
522.33624	4.3
545.33704	0.7
563.34619	4.5
564.34320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58405	0.5
59.01369	0.5
60.11684	0.4
60.70071	0.4
61.98827	100.0
73.62040	0.5
78.95902	0.7
82.30076	0.4
108.77442	0.4
135.22247	0.4
234.38380	0.5
257.07944	0.4
265.21652	0.6
266.22131	0.7
268.83487	0.4
279.23386	0.8
499.30957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35758	0.3
56.80919	0.3
59.01374	5.3
61.98826	1.1
66.62554	0.4
71.01375	15.0
71.05580	0.8
72.99315	0.6
73.02952	1.8
84.11064	0.3
85.02954	2.2
89.02442	1.4
93.03452	6.8
96.96014	0.5
99.00884	0.7
101.02450	2.2
110.53306	0.4
111.00838	0.6
113.02425	1.9
113.85791	0.4
115.00363	13.0
119.04991	1.8
121.02950	59.3
121.06605	1.6
122.03298	1.0
123.04523	0.9
132.05823	0.6
133.01427	5.2
143.03479	0.5
146.56622	0.4
149.06085	2.3
157.53571	0.4
159.02983	0.5
159.62373	0.4
161.04552	6.5
165.04182	0.7
165.05562	13.3
219.05032	0.4
223.07758	0.8
224.08463	0.5
225.09184	100.0
226.09509	4.4
228.48221	0.4
239.47296	0.4
262.64444	0.4
269.08258	1.0
281.97354	0.4
300.93192	0.4
327.10834	1.4
387.14453	11.4
388.14804	0.8
431.13388	0.8
449.14514	14.0
450.14398	0.7
512.94202	0.4
565.16034	1.1
565.25427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73219	0.4
50.90977	0.4
51.41929	0.4
55.72203	0.5
56.84419	0.4
59.01381	5.1
61.98869	0.7
66.35484	0.5
71.01387	13.8
71.05327	1.0
73.02939	1.2
85.02946	1.4
87.17714	0.5
89.02428	1.7
90.40109	0.4
93.03472	5.9
96.96017	0.9
101.02444	3.0
108.02147	0.6
113.02450	2.9
114.99577	0.8
115.00384	12.3
119.03539	0.8
119.05032	1.5
121.02963	59.1
121.06611	1.5
122.03286	1.4
123.04529	2.1
133.01425	5.2
149.06090	3.2
152.67848	0.5
161.04575	6.7
165.05574	10.4
223.07634	0.6
224.08289	0.7
225.09209	100.0
226.09575	4.6
241.97272	0.5
269.08316	0.7
327.10730	0.9
383.09763	1.0
387.14444	14.9
388.14700	0.9
449.14493	13.6
450.14893	1.1
472.85272	0.5
565.15778	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	565.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51748	1.3
93.03442	1.0
105.38065	0.4
119.05025	86.0
120.05344	2.4
133.03008	0.5
145.02966	1.8
163.04002	100.0
164.04335	3.3
185.37463	0.4
225.05589	2.4
249.05455	1.3
250.06261	0.5
262.06180	0.5
263.07230	0.5
273.09241	0.5
287.10782	0.6
299.10727	0.9
301.08618	0.7
314.09354	1.1
315.10226	1.9
319.75787	0.5
325.08572	1.0
327.06787	0.5
327.10208	1.1
329.08005	0.6
330.12485	0.5
342.09048	0.8
343.09753	8.8
344.09995	0.6
353.08099	0.9
354.09052	1.0
355.09866	0.7
357.11444	0.6
369.07587	0.5
371.09207	32.7
372.09512	2.6
373.31024	0.4
386.11557	17.8
387.11877	1.0
401.13901	31.4
402.14224	2.9
512.56732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57240	0.4
54.65199	0.3
55.20320	0.3
55.79602	0.4
57.60435	0.4
60.93354	0.4
64.61308	0.4
69.18929	1.1
69.19338	3.0
93.03470	0.6
119.05022	92.5
120.05339	2.1
145.02962	1.2
163.04007	100.0
164.04330	2.6
197.06128	0.7
265.08664	0.5
299.10767	0.7
315.10229	1.5
325.08804	0.9
327.10150	1.0
342.08932	0.4
343.09726	8.4
344.09912	0.7
354.09109	0.9
355.09796	1.3
356.10388	0.8
370.12320	0.5
371.09186	10.2
372.09753	0.9
385.10809	1.7
386.06372	0.5
386.11511	13.6
387.12250	1.0
401.13879	22.5
402.14417	2.4
414.18253	0.4
565.18524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19137	0.2
55.44990	0.2
59.01376	9.2
61.49448	0.2
61.98830	0.8
71.01370	1.4
71.50665	0.4
81.15159	0.2
83.01384	0.3
85.02953	0.5
88.98792	0.7
89.02415	0.7
95.05003	0.3
99.00884	0.4
101.02436	0.7
101.61547	0.2
111.00864	0.4
113.02419	0.7
113.99590	0.4
115.00389	0.4
122.03728	0.5
123.04532	0.3
125.07351	0.2
130.78955	0.2
133.01480	0.3
143.03497	0.6
149.02435	0.3
150.03203	3.7
156.05797	0.9
161.04555	0.8
165.05557	9.3
174.01588	0.4
181.06584	1.1
183.02910	0.3
183.04510	0.7
184.05312	0.3
197.06050	2.9
198.06844	2.9
199.07558	1.4
209.05962	0.4
213.07640	0.7
225.05544	9.8
226.06314	12.2
227.06615	0.8
240.07848	0.4
241.08679	100.0
242.09006	4.8
258.03513	0.5
259.09802	0.8
273.05823	0.8
274.06232	0.9
280.87494	0.3
403.13947	13.0
404.14200	1.0
435.11288	0.5
436.11523	1.7
489.98145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.1
60.01725	0.3
61.01805	0.2
61.98825	2.9
71.01386	2.0
73.02954	0.6
84.35254	0.2
85.02935	1.0
88.98789	0.4
89.02425	1.0
91.47154	0.2
98.20728	0.4
101.02449	1.4
104.92706	0.2
113.02441	1.0
114.02733	0.2
119.03533	0.3
123.04471	0.5
125.02397	0.3
127.07656	0.3
129.05569	0.4
145.03024	0.3
147.50829	0.2
159.02945	0.3
161.04526	0.4
169.06561	0.9
182.07362	1.1
197.06046	0.9
198.06830	6.0
199.07172	0.2
200.04749	0.6
225.05530	2.0
226.06331	57.9
227.06648	3.3
241.08679	100.0
242.09006	4.6
311.12772	2.3
312.13345	0.3
329.13977	0.7
329.23447	1.2
355.11459	0.3
361.28711	0.3
503.31897	0.3
504.32663	1.5
505.32990	2.4
522.33698	1.0
523.34174	1.5
534.51257	0.3
565.22668	1.9
565.36249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75217	0.3
59.01366	1.2
61.98817	0.6
65.72212	0.3
69.38826	1.2
69.39246	0.8
71.01374	1.0
82.88685	0.3
85.02921	0.5
87.00902	0.4
88.72465	0.2
89.02433	0.8
89.65632	0.3
92.96419	0.3
95.01392	0.4
95.46397	0.2
101.02425	0.9
112.06485	0.2
113.02473	0.5
126.50391	0.3
143.03569	0.3
161.04546	0.6
163.51822	0.3
169.06613	0.6
176.60982	0.3
182.07375	1.2
197.06161	0.6
198.06853	6.5
214.47264	0.3
221.06543	0.3
225.05550	2.3
226.06340	59.1
227.06647	3.5
241.08688	100.0
242.08980	4.5
409.81244	0.3
424.76791	0.3
424.82776	0.3
565.19385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
56.92019	0.9
57.03444	6.4
58.00583	1.1
58.64396	0.9
59.01378	67.5
59.22619	0.8
60.01699	1.0
61.98822	12.6
66.56411	1.0
69.03453	1.1
69.41345	7.0
71.01382	57.6
71.05031	1.1
72.99301	2.3
73.02945	10.1
73.03336	1.5
75.00868	1.1
83.01380	9.3
85.02948	29.4
87.00877	3.7
87.04521	1.2
89.02446	27.2
90.02811	0.9
93.03445	1.4
95.01379	5.5
97.02940	2.9
99.00877	16.2
101.02442	39.1
102.02809	1.1
109.02966	1.7
111.00865	1.8
113.02448	36.3
119.03506	12.6
123.04536	1.8
125.02442	5.6
131.03488	2.6
137.02396	1.6
137.09708	1.1
138.10042	1.2
143.03484	11.7
149.04514	1.4
159.02945	2.0
161.04553	34.3
169.06593	1.7
171.10272	3.3
179.05647	8.6
182.07309	2.2
190.01703	0.9
197.06003	1.0
198.06877	12.2
203.05643	1.3
209.05948	1.6
214.18977	1.1
221.06636	3.5
225.05490	4.8
226.06345	100.0
227.06755	4.2
241.08693	88.9
241.18040	2.3
242.09033	3.8
253.09160	1.6
323.09814	55.4
324.09930	2.7
329.23395	4.9
360.28125	1.0
361.29446	4.1
373.03391	1.4
402.03732	1.8
403.04517	1.6
403.23166	2.1
434.28165	1.9
486.31650	1.1
491.28659	1.1
503.32327	2.0
504.32578	7.7
505.33618	27.2
522.33685	4.9
523.34637	12.0
565.28381	12.9
565.36957	5.7
566.28815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71770	0.7
59.01377	10.0
61.98826	5.4
62.56014	0.8
69.96397	2.8
71.01379	7.7
72.99317	1.3
73.02927	1.0
83.01374	1.4
85.02945	2.1
87.00883	1.9
89.02447	7.9
98.20675	1.1
99.00883	3.3
100.76019	0.7
101.02463	4.5
111.00837	1.6
113.02461	2.9
113.99580	23.9
115.00379	12.6
119.03507	2.4
119.04922	1.0
123.04535	2.7
125.02427	1.0
133.01408	1.6
135.04498	0.9
143.03506	0.8
144.34320	0.8
153.05588	1.1
156.00644	16.5
157.01427	1.5
161.04553	1.2
165.05536	1.2
174.01677	100.0
175.02246	3.4
179.03580	1.2
179.05611	3.0
179.32089	0.9
208.06456	0.8
225.09055	1.0
241.08725	2.4
242.05643	0.9
257.08170	1.7
287.16461	1.0
290.55365	0.8
355.11710	0.7
361.16522	3.0
383.09702	1.0
403.11182	1.6
407.26117	0.8
409.03253	0.9
429.21237	1.9
466.42337	1.1
467.22696	1.6
469.20712	18.7
470.20676	1.2
511.21826	6.1
529.22693	5.1
533.13617	1.0
565.20770	5.5
565.28369	1.1
578.06696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.3
61.98826	46.4
69.39663	16.7
70.64346	17.7
71.42194	32.0
97.06224	17.4
127.07674	85.0
147.04456	26.6
152.99513	31.4
158.18384	17.4
162.09926	19.1
171.06618	100.0
189.80374	19.4
307.94415	17.8
353.30283	18.8
565.28607	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72306	1.0
57.18422	0.9
59.01376	12.1
61.98822	2.4
65.76151	0.9
71.01358	1.6
71.50784	1.6
73.02934	1.6
78.95896	1.5
89.02440	2.4
96.95972	1.0
101.02437	2.6
152.99571	1.2
161.04549	1.3
165.05566	2.1
228.07813	1.1
235.08173	1.9
237.87025	1.0
253.09256	11.6
255.23213	4.0
256.23370	1.0
269.24835	100.0
270.25146	4.1
345.40799	0.9
375.61887	1.0
412.52530	1.1
483.27127	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	566.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
60.33012	0.2
61.98826	100.0
69.31414	2.1
71.01392	1.5
72.99321	0.4
73.02942	0.3
83.91164	0.2
85.02959	0.4
87.00880	0.4
89.02444	0.6
101.02402	0.4
111.00896	0.5
113.02454	0.4
114.56070	0.2
115.00333	1.3
119.05070	0.5
123.04549	0.8
124.04873	0.4
127.77235	0.3
133.01407	0.3
135.04530	0.8
136.04935	0.4
161.02444	0.3
179.03407	0.5
180.03871	0.4
227.12997	0.3
287.15115	0.3
304.87167	0.3
315.80780	0.3
402.11423	0.4
402.60080	0.2
403.11743	0.3
404.11765	1.1
566.18158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98826	100.0
69.13446	2.3
69.13847	0.3
71.01377	1.3
72.99334	0.3
73.01792	0.2
73.20267	0.2
89.02451	0.5
90.05753	0.2
92.38707	0.2
93.03446	5.8
93.04022	0.3
93.09161	0.2
101.02436	0.4
111.00889	0.4
113.02441	0.3
115.00384	0.9
116.68880	0.2
117.00765	0.4
119.05025	0.4
123.04508	0.9
124.04845	0.4
127.79004	0.2
133.01443	0.3
134.36497	0.3
135.04550	0.5
136.04851	0.3
137.02435	21.5
138.77289	0.2
161.02437	0.3
179.05768	0.3
180.04053	0.3
243.06754	0.4
299.07669	1.0
316.00571	0.3
353.14340	0.3
403.11572	0.4
404.11609	1.4
405.11804	4.1
450.15039	0.3
479.06842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	61.5
61.98830	100.0
69.92426	3.1
71.01370	6.7
73.02951	3.3
84.01635	0.9
85.02959	2.7
89.02446	2.9
97.02941	1.1
99.08160	1.2
101.02443	4.3
113.02464	2.6
124.05869	1.0
125.02440	1.4
127.06258	1.0
127.07674	11.4
128.08011	3.5
134.96529	1.0
145.02945	2.0
148.08589	1.0
153.05556	1.8
163.03987	1.4
171.06647	6.1
172.06934	3.1
243.10072	1.2
313.14655	1.0
381.22461	1.5
393.13989	2.6
394.14471	6.5
399.23938	6.8
417.24857	5.1
459.25934	4.8
486.90698	1.0
489.46927	1.1
506.34131	1.1
566.21692	1.1
567.24463	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	61.5
61.98830	100.0
69.92426	3.1
71.01370	6.7
73.02951	3.3
84.01635	0.9
85.02959	2.7
89.02446	2.9
97.02941	1.1
99.08160	1.2
101.02443	4.3
113.02464	2.6
124.05869	1.0
125.02440	1.4
127.06258	1.0
127.07674	11.4
128.08011	3.5
134.96529	1.0
145.02945	2.0
148.08589	1.0
153.05556	1.8
163.03987	1.4
171.06647	6.1
172.06934	3.1
243.10072	1.2
313.14655	1.0
381.22461	1.5
393.13989	2.6
394.14471	6.5
399.23938	6.8
417.24857	5.1
459.25934	4.8
486.90698	1.0
489.46927	1.1
506.34131	1.1
566.21692	1.1
567.24463	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	566.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29273	0.4
54.90221	0.3
56.48659	0.4
58.11818	0.4
59.10730	0.4
60.84721	0.4
61.98826	100.0
63.19484	0.4
69.25346	3.4
78.95901	0.7
80.96519	1.5
131.02539	0.4
152.99597	0.5
161.72821	0.4
241.79805	0.4
248.66423	0.4
255.23389	1.6
256.23611	3.3
267.23590	0.6
268.23624	0.9
269.24075	0.8
484.27609	2.0
515.30554	0.4
567.28241	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	566.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
59.49741	0.2
60.78427	0.2
61.98830	100.0
69.23678	1.6
82.66728	0.1
91.86629	0.2
92.74329	0.2
98.19908	0.3
102.99686	0.2
115.94531	0.2
158.78708	0.2
168.61301	0.2
225.05527	0.4
240.07887	1.1
248.12276	0.2
255.10258	1.3
415.15891	0.2
509.56616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93623	0.9
59.01372	4.2
60.99305	13.2
61.98828	10.3
69.76213	2.6
69.76614	2.1
71.01380	5.4
75.00876	1.6
75.07542	0.8
77.42599	0.8
79.17889	0.8
85.02962	2.1
88.98804	80.8
89.02451	1.9
93.03446	1.1
94.29931	0.8
98.20507	1.2
99.00911	0.8
101.02425	2.3
113.02456	2.7
117.44903	0.8
121.02945	1.8
121.28341	0.9
122.03727	2.1
145.02928	0.9
151.04021	1.2
161.04539	3.7
177.09241	0.9
227.07097	22.3
228.07707	2.2
243.10239	100.0
244.10486	3.1
271.02475	1.4
285.04010	1.2
303.12146	0.8
314.04330	3.5
405.15622	10.9
421.13647	1.0
446.28094	0.9
450.65936	1.1
477.10373	7.7
562.31238	0.9
567.30469	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	567.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72409	0.4
56.90554	0.4
57.48188	0.6
59.01384	4.2
61.98830	49.7
62.98565	0.5
63.99260	0.4
69.13290	4.4
71.01377	2.3
72.99316	0.7
78.21486	0.4
85.02946	0.6
85.18745	0.5
87.00854	0.4
88.66454	0.5
89.02448	1.9
93.03458	23.3
94.03777	0.5
95.01395	0.6
99.21468	0.4
101.02429	1.3
103.44395	0.5
105.19835	0.4
113.02428	0.9
116.66737	0.5
135.02951	0.7
137.02444	100.0
138.02760	3.0
150.97353	0.6
179.03418	0.5
179.07121	0.7
192.04256	0.9
207.06544	0.8
212.88866	0.4
243.06618	1.2
287.76611	0.5
299.07666	3.0
367.45172	0.6
405.11783	14.3
406.11819	1.1
469.10333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74842	1.0
59.01370	3.1
62.56165	1.3
80.52885	1.1
93.03449	4.4
94.82861	1.3
95.63642	1.3
112.20239	1.0
119.05020	3.0
119.28991	1.3
121.06571	4.4
140.92078	1.1
145.03026	1.1
163.04022	3.2
164.04358	2.7
165.05565	51.9
166.05888	2.9
197.05994	1.7
229.53278	1.5
302.76617	1.2
315.10278	4.2
325.08667	2.7
327.10132	3.5
343.09668	22.5
354.09033	1.3
355.09702	4.5
356.10431	1.8
358.11865	1.6
370.12296	1.8
371.09207	26.1
372.09509	1.4
380.06223	1.3
385.10687	5.6
386.11548	36.9
387.11874	2.2
401.13898	100.0
402.14343	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	567.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84172	0.5
58.86592	0.6
59.01374	9.6
66.54661	0.7
69.49330	4.6
85.87898	0.6
88.25631	0.5
93.03454	6.1
109.47723	0.6
114.80424	0.6
119.05027	1.2
121.06590	7.3
134.50078	0.6
143.27280	0.6
145.02930	3.1
149.06140	1.4
165.05562	100.0
166.05910	2.2
185.02461	0.7
197.06105	1.7
205.79533	0.6
221.06027	1.1
225.05568	3.9
226.06274	0.8
249.05664	2.1
262.06378	0.6
268.07544	0.6
271.11111	0.8
287.10602	1.3
293.64523	0.7
297.09109	0.9
299.10754	1.4
300.08011	1.0
301.08765	2.2
314.09558	1.1
315.10263	3.0
325.08563	1.6
326.09622	1.0
327.10239	2.0
329.08228	1.2
329.11926	1.3
341.08298	0.8
342.09070	1.8
343.09692	15.2
344.10233	1.0
353.08130	1.6
354.08847	1.6
355.09854	1.1
369.11655	0.8
370.12418	0.9
371.09213	56.0
372.09750	4.2
386.11575	39.9
387.07852	0.6
387.12027	4.2
391.76248	0.7
401.13907	75.9
402.14307	4.6
567.20502	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	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56764	0.2
59.01356	0.7
60.99289	0.4
61.98810	0.2
69.46952	0.4
69.47360	0.9
71.01365	2.1
73.02937	0.6
85.02931	0.9
86.82780	0.2
88.98806	1.8
89.02472	0.2
93.03461	0.8
95.01344	0.2
99.00932	0.2
101.02444	1.2
108.02164	0.5
109.02940	0.4
113.02435	1.2
121.02953	1.6
122.03723	1.8
134.14714	0.2
136.05305	0.3
143.03532	0.5
149.02412	0.3
151.04010	1.1
153.01924	0.4
154.06439	0.2
155.91034	0.2
158.07349	0.5
159.02939	0.2
161.04547	2.1
183.08066	0.3
184.08914	0.3
201.09161	0.8
213.05717	0.2
227.07115	19.7
228.07811	2.0
243.10228	100.0
244.08192	0.4
244.10582	5.8
263.76984	0.2
285.11310	0.4
338.51144	0.2
389.32504	0.2
405.15482	12.0
406.15796	0.8
477.10583	0.2
524.28864	0.2
528.72028	0.2
564.96490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03447	5.6
58.00590	4.7
59.01374	95.9
60.01715	0.6
61.98826	0.6
69.58427	0.4
69.58842	1.0
71.01377	70.7
72.01723	0.7
72.99304	5.1
73.02948	2.1
75.00868	0.5
81.03462	0.3
83.01382	2.2
84.02163	0.3
85.02942	11.3
87.00871	4.1
88.88094	0.2
89.02438	100.0
90.02783	0.8
95.01376	4.4
97.02937	0.3
97.79095	0.2
99.00874	0.8
101.02436	32.8
101.38361	0.2
102.02753	0.4
107.03509	0.3
113.02444	28.4
115.00371	0.2
119.03491	38.9
120.03864	0.4
123.04514	0.2
125.02477	1.0
131.03494	4.3
133.01477	0.3
143.03488	8.4
149.04564	4.6
149.09720	2.9
152.79340	0.2
153.09142	0.4
159.02969	0.3
161.04541	10.7
179.05598	30.7
180.05917	0.5
199.94641	0.3
207.13908	1.3
237.22136	0.2
241.05031	0.7
242.05765	1.8
243.06374	0.3
243.15852	0.5
387.20288	0.4
400.88269	0.3
405.12149	0.9
405.21176	3.7
406.21573	0.3
567.17401	1.1
567.26471	5.7
568.26770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.24213	0.8
57.03449	8.0
58.00586	2.0
59.01379	56.2
61.98825	1.9
69.03436	1.0
70.20094	0.9
70.82738	1.4
70.83070	1.5
71.01380	65.3
72.01735	1.1
72.99284	3.6
73.02937	6.0
83.01396	4.9
85.02948	43.6
87.00864	4.3
89.02444	49.5
95.01384	15.4
97.02991	1.2
99.00864	3.0
101.02439	33.6
109.02893	0.9
112.05306	1.1
113.02449	100.0
119.03496	18.3
121.02922	1.9
125.02455	1.8
127.37144	0.9
131.03481	3.2
134.07388	1.3
135.03239	5.6
137.02466	1.9
139.07628	1.1
143.03514	8.2
149.04544	1.8
149.09703	14.5
153.09233	4.5
159.02936	1.3
161.04550	29.4
165.01888	3.7
165.05557	1.0
167.03482	2.1
167.10777	19.3
179.02170	1.6
179.05608	18.9
180.04353	1.1
181.63657	0.9
190.01402	1.2
195.06526	1.9
207.01595	2.9
221.03284	1.0
221.06870	1.4
225.09326	1.9
225.14835	2.3
227.09926	1.7
243.06371	1.1
243.16026	1.4
323.09793	2.8
329.11270	2.0
357.13614	2.1
405.21286	13.0
413.62653	1.1
437.17798	1.0
455.64966	1.0
535.15497	1.4
567.18280	15.1
567.26465	85.6
568.19476	2.0
568.26935	6.3
591.20044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.8
63.96221	1.1
69.27961	2.6
69.28386	4.9
71.01389	7.4
73.02943	1.3
78.95898	5.5
78.98605	5.7
79.95730	10.1
80.96519	67.2
81.03496	1.0
85.02954	3.1
87.00865	3.7
88.90841	0.9
94.98090	16.7
96.96013	2.6
97.02934	1.4
101.02444	2.1
106.98072	3.3
122.97597	6.4
125.02431	3.6
127.03931	0.9
133.01476	1.3
134.97597	3.9
136.99184	1.0
148.99135	6.4
152.98506	6.2
152.99742	4.4
159.43390	0.7
162.52063	0.9
164.98615	12.1
182.99648	2.2
206.99657	3.4
225.00745	18.7
232.23410	1.0
243.01761	1.3
255.23279	25.3
255.53020	1.0
257.23956	1.2
267.23224	3.7
299.04303	2.5
355.50272	0.9
359.05838	0.9
483.27344	13.0
485.27512	1.1
567.28400	100.0
568.29010	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	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28943	0.1
56.79045	0.2
59.01379	0.5
61.98828	100.0
69.82909	0.8
85.86334	0.2
91.68060	0.2
97.75241	0.2
105.90300	0.2
111.15212	0.2
123.04562	0.3
127.07668	0.6
137.02490	0.2
153.05602	1.2
156.08380	0.2
171.06621	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	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20258	0.3
55.39828	0.3
59.01368	1.1
61.98827	100.0
67.72038	0.2
67.91208	0.2
69.18822	0.9
69.19237	1.5
71.01368	0.5
81.19688	0.2
92.83855	0.3
101.02542	0.4
109.06589	0.5
119.05050	0.3
123.04535	0.9
127.07643	4.3
127.08546	0.3
138.03241	0.5
147.04500	0.6
153.05576	6.6
153.06741	0.5
171.06628	5.6
211.13452	0.9
253.79718	0.3
375.08566	0.3
421.14938	0.4
569.20313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
61.98824	5.9
63.50525	0.7
65.00309	1.0
71.01379	4.5
71.50389	1.4
73.02942	1.1
83.01381	1.4
85.02944	1.8
88.98801	0.9
89.02418	1.9
93.03460	3.0
96.96015	1.6
101.02439	2.9
102.10363	0.7
108.02169	0.7
108.68275	0.7
109.02923	3.0
111.00887	1.0
113.02417	1.6
119.05008	1.6
119.93440	0.6
121.02956	1.4
123.04493	2.0
125.02382	0.9
127.07625	2.0
130.08540	0.7
147.04501	0.9
148.01727	0.8
149.02461	0.8
150.53201	0.6
151.00331	1.0
152.01268	0.7
153.05545	1.5
157.81429	0.7
163.00343	2.5
169.03085	0.7
171.04488	3.1
171.06596	2.0
172.51009	0.6
175.03946	0.9
183.04402	0.7
190.40508	0.6
199.04012	0.7
213.05577	2.4
215.03583	0.8
226.02626	0.7
227.03386	1.9
228.04224	1.8
229.05122	1.2
239.03453	1.3
240.04184	0.7
241.05028	1.5
242.02190	1.3
243.02863	1.0
244.48288	0.7
255.02945	3.3
256.03769	2.7
257.04529	8.6
257.12915	1.8
267.03113	4.1
269.04474	1.0
270.01672	1.4
271.02515	2.6
283.02435	6.1
284.03152	2.3
285.04108	3.7
305.08273	0.7
312.02710	1.0
313.03506	5.2
321.07632	0.8
332.06900	2.4
333.07684	2.0
339.34457	0.7
349.07050	12.1
360.06458	3.3
361.07166	9.3
377.06619	40.3
378.07159	5.2
405.05942	1.0
406.06882	59.0
407.07620	34.6
407.26508	1.3
408.08215	1.8
475.08762	1.8
533.30035	0.7
539.41040	0.7
569.12958	100.0
569.31311	6.4
570.13245	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	569.1298
Annotation	cudranian 2
Peak:m/z	Relative Intensity
63.02393	1.2
79.07066	0.6
80.02150	0.7
93.03445	3.4
107.52027	0.7
109.02959	3.3
121.02940	2.2
122.35604	0.8
135.00844	1.9
137.02434	3.1
139.04013	2.2
147.00864	1.1
147.04504	0.7
148.01645	3.0
149.02429	5.0
151.00328	1.2
161.02417	1.7
163.00366	18.4
164.01013	0.7
171.04506	3.1
174.03163	0.8
175.00357	2.9
176.01140	10.7
177.01865	1.4
183.04546	1.2
185.06087	1.2
187.03995	2.1
189.05568	1.3
190.99805	1.7
195.04550	1.4
196.05235	1.2
197.06026	1.8
198.03096	1.2
199.03993	4.0
200.04829	1.2
201.05528	0.7
204.00674	1.8
211.04007	8.8
212.04720	1.2
213.02002	0.8
213.05557	6.9
214.02640	1.9
215.03490	7.3
217.05049	2.1
223.03999	1.9
227.03410	3.7
228.04289	1.9
229.05055	2.3
239.03528	5.4
240.04240	3.4
241.05035	10.1
242.02164	3.0
243.02937	7.2
255.02991	7.2
256.03741	9.0
257.04565	11.9
258.04761	0.9
267.02954	13.6
268.03683	2.4
269.04501	2.2
270.01663	6.4
271.02512	5.2
280.08594	0.7
283.02460	37.5
284.03223	8.8
285.04001	16.8
295.02463	2.6
311.01926	12.6
312.02734	38.3
313.03510	100.0
314.03830	4.7
332.06644	1.0
349.07196	8.5
359.05704	1.0
377.06619	10.6
378.07260	2.1
406.06885	43.7
407.07581	15.4
408.07974	1.2
475.08783	79.5
476.09021	5.4
533.29602	1.1
569.12970	75.5
570.13385	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	569.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
59.01376	6.1
60.18053	0.5
61.98827	14.9
71.01381	3.5
71.10389	1.4
73.02961	1.7
81.07104	1.0
83.01381	0.9
89.02409	1.3
95.01435	0.6
99.08172	1.3
101.02477	1.4
106.05315	0.5
108.04551	1.2
109.06590	0.9
111.00938	0.6
113.02453	1.4
117.03493	0.6
119.03539	0.7
122.06109	0.5
123.04522	1.4
125.02490	0.7
127.07653	85.9
128.07994	2.0
132.02196	1.6
133.02954	0.9
134.03751	14.6
135.04491	2.1
136.07675	3.1
137.02438	1.4
138.03247	1.5
145.08690	0.9
147.04549	2.0
148.05292	0.5
149.06082	2.4
153.05583	10.8
160.01677	9.2
161.02243	0.7
163.04030	0.9
171.06628	100.0
172.06972	1.9
175.03998	10.0
176.04765	2.7
177.01965	0.8
178.02661	0.6
189.05562	0.6
189.07825	0.6
191.07138	2.3
193.05028	10.7
202.02707	1.8
207.06578	2.0
211.13391	2.9
217.05051	6.9
221.08284	0.7
235.06128	5.6
247.06010	1.3
257.12903	10.0
257.15311	0.7
301.11963	8.1
337.09283	1.1
371.38663	0.6
379.10092	0.6
389.16074	1.1
397.11313	4.1
421.14920	0.8
525.20007	1.3
569.18652	21.1
569.31543	1.3
570.19067	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	569.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	4.4
69.55017	1.4
71.50804	1.4
78.95898	66.6
79.82866	1.7
85.85818	1.5
92.08527	1.5
96.96958	13.0
101.17013	1.6
106.36221	1.5
113.83037	1.7
152.99576	100.0
171.00645	3.5
174.89633	1.6
190.73260	1.7
223.00110	13.0
241.01146	24.4
253.21706	86.2
254.22005	4.6
259.02151	2.0
315.04877	17.6
333.05872	1.7
357.74612	1.5
569.27222	96.3
570.27502	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	569.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35098	3.0
59.01375	28.2
61.98839	14.9
68.99560	5.3
69.73264	2.9
71.01389	18.0
73.02929	8.4
85.02964	4.7
87.00874	3.2
88.98799	3.2
89.02430	18.4
93.03477	7.7
101.02442	11.2
102.66493	2.9
109.02937	7.8
112.98569	5.0
113.02435	12.1
117.01963	5.8
119.03502	7.5
119.04980	2.9
121.02963	5.7
122.67049	3.1
123.04502	4.4
149.02426	7.4
161.04558	5.5
163.00378	20.8
171.04572	4.8
175.00409	5.4
176.01147	17.2
179.05632	5.0
199.04001	8.3
211.03963	6.9
213.05586	8.4
215.03474	6.9
217.05080	3.1
227.03450	4.0
239.03456	9.9
241.04988	12.1
242.02345	3.8
243.02983	9.7
255.02937	7.4
256.03760	8.9
257.04501	12.9
264.15576	3.5
267.03018	18.6
269.04541	6.4
270.01666	4.7
271.02396	8.4
274.34351	2.9
283.02460	42.2
284.03116	12.3
284.73553	2.8
285.04089	15.6
296.03180	7.1
297.04114	17.5
311.01947	11.6
312.02670	36.8
313.03519	95.8
314.03851	8.7
349.07108	7.4
351.20227	14.8
353.23230	4.6
361.07034	3.6
377.06674	13.3
406.01636	5.5
406.06848	47.9
407.07629	18.8
459.09229	12.9
471.56863	3.2
475.08801	75.6
476.09320	5.9
504.21976	3.1
515.28778	26.6
533.29639	100.0
534.30054	9.3
569.13074	82.4
569.27209	76.5
570.13489	14.0
570.27679	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	569.2994
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01388	0.9
60.59312	0.8
61.98814	3.3
63.96227	1.1
71.01376	5.8
71.50337	1.0
73.02930	1.9
78.98575	5.3
79.95736	9.7
80.96516	61.0
81.03468	0.8
84.00235	0.9
85.02929	3.0
87.00864	2.6
94.98085	14.4
95.52290	1.0
96.95978	0.9
97.02955	1.3
101.02439	2.1
101.48563	0.9
106.98103	3.5
115.37283	0.7
122.97620	2.5
125.02451	2.8
134.97586	4.0
136.99007	1.0
142.12965	0.8
148.99146	5.0
149.61691	0.9
152.98628	5.5
153.64224	0.8
164.98618	10.7
172.25357	0.9
178.74422	0.7
186.52696	0.9
196.30710	0.8
206.99716	2.0
225.00752	14.8
269.24777	2.0
299.04404	2.7
534.91205	0.9
569.29968	100.0
570.30090	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	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06290	0.8
57.71996	1.1
59.01370	1.3
61.98829	100.0
66.64053	0.8
69.77827	3.5
69.78247	2.1
106.38321	0.9
145.02922	1.0
152.01143	2.5
174.61937	0.9
178.99823	3.1
255.03090	1.9
315.05084	3.1
415.25052	1.3
507.29636	2.6
582.40088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06290	0.8
57.71996	1.1
59.01370	1.3
61.98829	100.0
66.64053	0.8
69.77827	3.5
69.78247	2.1
106.38321	0.9
145.02922	1.0
152.01143	2.5
174.61937	0.9
178.99823	3.1
255.03090	1.9
315.05084	3.1
415.25052	1.3
507.29636	2.6
582.40088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66531	0.2
59.01372	1.3
61.98828	100.0
63.45247	0.2
64.28522	0.2
69.59247	1.3
71.01388	0.5
85.02966	0.3
89.02466	0.4
99.08182	0.4
101.02469	0.3
109.02969	0.2
112.54119	0.2
123.04544	0.4
127.07647	1.4
128.08034	0.4
129.05602	0.3
137.02509	0.2
137.93167	0.2
153.05562	1.9
154.05917	0.9
157.42458	0.2
161.29227	0.2
163.03987	0.2
171.06621	2.0
172.07008	0.8
174.35037	0.2
211.13464	0.8
212.13795	0.7
265.26382	0.2
292.81665	0.2
325.26337	0.2
467.74783	0.2
534.05316	0.3
570.13464	0.2
571.33575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63111	0.7
59.01371	3.9
64.30656	0.7
71.01379	3.1
73.02940	1.3
85.02984	0.7
89.02440	1.2
96.96001	1.6
98.20763	1.5
101.02427	2.1
113.02438	0.9
115.00361	2.7
116.55005	0.7
117.03457	16.7
118.04272	2.3
119.05022	54.5
120.05360	1.4
121.02951	11.0
123.04544	3.8
133.02943	3.2
134.03716	1.0
145.02905	3.4
150.03284	0.8
161.04514	1.3
162.03210	4.3
163.03998	85.2
164.04321	2.8
201.86797	0.7
214.06245	0.7
229.08681	1.4
253.24641	0.8
385.06479	0.9
409.14996	100.0
410.15320	6.7
544.07019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.0
61.98812	2.1
69.44825	7.5
71.01369	6.6
84.28513	1.0
85.02953	1.3
87.00858	1.1
89.02451	3.1
89.22864	1.1
96.96007	2.4
101.02444	3.0
110.68198	1.1
114.42336	1.0
115.00341	2.7
117.03455	19.2
118.04259	1.6
119.05020	58.3
120.05367	1.9
121.02950	13.5
123.04517	5.5
126.12611	1.2
133.02901	3.3
134.03705	1.7
135.78038	1.0
145.02931	3.9
162.03175	4.6
163.03996	82.7
164.04355	2.4
170.48274	1.0
229.08554	1.5
247.09541	1.5
280.94681	1.1
327.08444	1.2
349.20370	1.4
383.09961	1.4
409.14993	100.0
410.15411	5.8
503.16656	1.8
514.04224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.50126	0.5
52.94225	0.5
53.97606	0.5
60.41408	0.5
60.59486	0.5
62.96378	0.5
67.98331	0.4
69.32722	4.2
74.24091	0.6
77.16411	0.5
78.95901	53.8
96.96959	11.3
96.97598	0.7
104.98209	0.5
106.06242	0.5
110.36302	0.5
111.29034	0.5
150.98073	0.6
152.99580	52.0
159.20975	0.6
194.80228	0.5
223.00102	1.9
241.01175	28.6
255.23271	71.0
256.23685	3.3
259.02106	0.6
315.04913	9.1
372.72171	0.5
391.22516	4.6
571.28851	100.0
572.29095	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	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.2
61.98828	2.5
70.55883	1.2
70.91605	1.8
71.01379	4.9
72.73590	0.9
73.02942	2.1
78.95882	6.9
89.02471	2.6
101.02457	5.7
113.02427	2.0
119.03452	1.2
125.09698	1.1
130.66197	1.0
152.99605	7.5
161.04532	2.2
231.21062	2.4
235.08191	2.4
235.15074	1.2
241.01009	1.6
253.09259	19.7
255.23145	1.9
275.20132	100.0
276.20441	4.6
280.68286	1.1
571.28833	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	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.6
61.98812	3.0
69.07091	2.5
71.01353	5.2
71.42418	3.4
81.86863	2.3
88.98782	4.8
89.02419	5.9
95.78002	2.4
101.02441	5.7
137.69061	2.1
151.35831	2.3
161.04533	4.0
235.08377	2.6
253.09325	22.5
275.20126	100.0
276.20569	5.5
277.21600	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	571.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66064	4.6
53.78426	5.6
56.45567	4.9
61.98822	6.3
73.08603	5.7
82.14628	5.5
121.32246	5.2
127.59663	5.0
138.53101	5.8
202.22542	5.0
241.21736	100.0
368.04874	5.7
406.77173	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	573.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.1
58.21651	0.9
59.01373	2.3
63.29594	0.7
69.45528	1.5
69.45941	3.4
71.01379	16.4
73.02945	1.6
76.19768	0.7
83.05004	0.7
85.02983	1.8
89.02407	0.8
95.05019	2.9
98.19926	1.7
99.08153	32.6
100.08472	0.9
101.02430	2.5
105.03440	1.5
109.06606	1.5
113.02433	2.0
115.00388	10.5
123.04521	100.0
124.04832	2.2
127.07648	54.2
128.07993	2.0
129.04617	1.0
129.05579	20.3
133.01434	5.6
138.03210	1.8
153.05566	71.1
154.05862	2.9
158.45003	0.8
159.02965	0.8
161.04556	7.0
162.59334	0.8
167.74510	0.9
169.35298	0.9
171.06618	15.5
176.39714	0.8
189.07671	3.7
193.27974	0.7
285.09790	23.2
286.10162	1.0
303.37674	1.0
383.19281	0.8
457.17145	32.8
458.17328	2.2
543.90967	1.0
573.20892	1.3
573.30200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74740	1.2
57.03438	10.1
59.01377	16.0
61.98815	6.6
71.01378	35.0
71.50756	1.3
71.51126	1.3
72.99316	7.5
73.02935	2.8
75.00875	1.2
77.03980	1.2
80.84189	1.0
83.01336	1.2
85.02950	4.5
87.04507	2.7
89.02442	3.9
95.05020	2.1
96.96020	1.2
99.00816	1.0
99.08154	37.7
99.27047	1.0
101.02438	4.4
113.02431	4.1
115.00384	9.5
119.03433	1.6
121.02904	1.1
123.04515	100.0
124.04781	2.5
127.07648	45.9
128.07994	2.4
129.05580	57.1
133.05060	34.2
135.02965	5.9
143.03331	1.3
145.63536	1.2
153.05557	46.6
154.05830	2.1
161.04547	6.8
171.06609	10.8
175.06093	3.3
189.07718	12.3
246.27681	1.3
285.09793	28.4
286.10031	1.6
295.10254	1.7
305.12250	3.7
383.09952	9.6
401.10858	17.7
450.95801	1.2
457.17014	20.1
468.89923	1.0
535.31006	2.2
537.33002	8.9
573.20630	12.3
573.29681	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	573.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.8
59.01377	2.4
69.43682	2.7
69.44113	2.3
71.01377	16.2
75.03231	0.6
85.02951	1.8
89.02435	1.3
95.05028	1.8
97.70406	0.6
99.08152	37.5
100.08483	0.7
101.02436	2.6
105.03434	1.9
109.06576	1.5
113.02419	2.0
115.00371	10.8
123.04517	100.0
124.04875	2.4
127.07643	56.1
128.08011	1.6
129.05571	18.8
133.01408	5.5
138.03230	1.2
149.02477	0.9
153.05565	64.1
154.05913	1.3
157.81584	0.6
161.04538	5.7
171.06609	13.0
189.07677	3.1
285.09744	22.4
286.10193	0.7
309.70538	0.8
457.17154	28.0
458.17642	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.3
59.01378	12.1
61.98838	4.6
69.28346	5.9
69.42229	0.8
71.01380	33.5
72.99308	6.9
73.02946	2.0
75.00860	2.2
82.05837	0.7
83.05053	0.8
85.02950	3.4
87.04518	2.8
89.02456	2.3
93.03449	1.8
95.05026	2.2
98.19941	1.9
99.00844	1.1
99.08157	34.4
101.02444	4.6
101.10242	0.8
109.06489	0.9
113.02430	3.2
113.03187	0.7
115.00361	7.3
115.03998	1.1
116.92859	2.2
119.03551	1.4
121.02964	1.5
123.04520	100.0
124.04844	2.3
127.07645	47.6
128.07939	1.8
129.05576	51.8
133.05060	30.9
135.02994	4.7
138.03188	0.8
149.02411	1.0
153.05566	43.5
154.05914	1.5
161.04558	7.1
171.06627	12.2
172.85242	0.8
175.06134	3.0
187.09747	1.0
189.07668	9.3
219.81184	0.9
236.92691	0.9
250.94577	0.8
259.04834	1.0
285.09781	25.7
286.10233	0.8
295.10211	1.0
303.07104	0.9
305.12354	3.1
336.31592	0.9
375.20193	1.2
383.09650	7.8
401.10825	14.0
447.09042	1.9
457.17154	20.3
458.17307	1.6
535.31110	1.4
537.32941	4.8
541.14343	0.8
573.20746	11.2
573.29688	5.8
574.21692	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	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.6
57.89851	0.5
59.01385	6.8
67.70811	0.6
69.40886	4.1
71.01374	3.9
76.08610	0.5
78.81068	0.5
85.02962	1.8
87.04500	3.1
88.99159	0.6
95.05034	2.1
99.00848	0.7
99.08161	41.3
100.08495	0.7
101.02460	1.7
105.03477	1.7
109.06623	0.7
110.38086	0.5
113.02482	1.0
123.04529	100.0
124.04846	1.9
124.07703	1.4
127.07657	54.5
128.07968	1.4
129.05580	23.1
133.05075	15.6
136.07695	2.1
149.02422	0.9
153.05579	51.4
154.05870	1.4
159.02908	0.8
161.04572	5.8
168.06674	1.1
171.06636	12.1
189.07689	6.4
216.98749	0.6
228.57895	0.7
230.08353	0.6
239.25827	0.7
275.95358	0.6
285.09784	16.7
286.10275	1.0
305.12241	5.6
305.14926	1.0
333.46545	0.6
350.61032	0.6
388.70734	0.7
457.17142	14.7
467.17349	0.9
573.21802	12.8
574.22321	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	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81118	0.8
52.30035	0.9
57.03444	9.9
59.01381	9.8
61.98825	4.0
64.07772	0.9
69.30972	7.3
71.01374	8.0
72.99290	0.9
73.02951	1.7
76.71265	1.0
78.61048	0.9
79.38376	0.8
85.02950	3.3
89.02451	2.5
95.05010	1.9
95.18725	1.0
98.19856	1.7
99.00850	1.5
99.08160	52.7
101.02451	3.8
105.03464	1.3
109.06603	1.0
113.02457	3.4
119.03498	1.2
119.05018	0.9
123.04523	100.0
124.04829	2.6
124.07707	2.0
127.07653	68.6
128.08095	1.0
129.05577	78.0
130.05885	2.0
133.05061	4.8
135.03017	1.7
136.07680	3.3
138.03111	1.0
139.03848	0.8
153.05573	55.2
154.05893	2.0
161.04538	10.3
168.06651	2.8
171.06618	16.7
189.07697	6.9
273.32977	1.0
285.09781	19.8
305.15045	4.1
409.81143	0.9
429.36682	0.9
439.16101	2.3
457.17130	51.8
458.17212	4.9
479.10074	1.3
535.31311	1.2
537.32605	2.1
573.13605	1.4
573.21503	5.6
573.29584	2.2
574.20392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21180	0.8
57.03451	9.5
59.01383	10.6
61.98829	8.0
69.43570	5.3
71.01382	7.5
73.02950	2.3
83.01380	1.2
84.57777	0.8
85.02936	2.0
87.00911	1.3
89.02443	27.1
93.03455	0.8
95.05019	3.1
99.00866	1.5
99.08157	41.5
100.08514	1.2
101.02443	4.2
109.06655	0.9
113.02457	2.4
116.92902	0.9
123.04525	100.0
124.04903	1.6
125.02481	1.3
127.07650	52.7
128.08026	1.2
129.05582	43.6
131.03549	0.8
133.05070	7.1
135.02982	1.2
149.02425	0.8
153.05565	45.0
161.04565	8.0
163.03972	1.1
171.06624	13.5
178.99788	0.8
189.07697	5.3
199.51735	0.7
213.99117	0.9
233.06714	3.0
285.09793	22.6
349.07007	2.0
357.11765	3.0
368.21707	0.8
457.17142	11.3
458.17828	1.2
537.32855	3.6
573.12488	4.4
573.21899	11.7
573.30115	2.7
574.19781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47808	1.2
57.03434	1.5
59.01373	16.5
61.98828	36.4
70.51300	3.8
71.01378	5.8
72.61824	1.2
73.58629	1.2
85.02989	1.4
86.71220	1.2
89.02448	4.7
89.94148	1.2
98.20020	1.3
99.08144	2.4
100.66801	1.4
101.02428	4.9
110.23489	1.2
111.60385	1.4
113.02441	2.6
127.07621	5.1
129.05602	1.6
147.04369	1.5
165.12854	7.7
187.60542	1.5
210.20612	1.4
211.13358	1.9
247.20633	5.8
253.09311	16.9
273.18494	3.4
291.19638	100.0
292.19952	4.7
309.20691	2.6
327.21640	1.6
461.07050	1.5
542.49146	1.5
573.32025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96838	4.1
59.01378	39.5
61.98825	30.9
71.01371	33.8
71.50858	5.7
73.02941	6.4
75.00884	4.8
76.37313	3.5
85.02962	4.9
86.11301	4.0
89.02457	18.4
99.08161	6.5
99.92570	5.0
101.02446	16.7
113.02463	10.7
115.00388	5.8
115.92082	12.9
116.92860	30.9
119.03469	10.2
123.04502	6.7
129.05531	4.6
135.03000	20.0
149.48569	4.2
153.15089	3.8
161.04509	8.0
163.03989	4.9
171.75414	4.6
179.05585	5.8
182.37851	4.2
240.08040	3.9
249.11292	16.2
375.27216	4.4
501.09659	4.1
535.31158	18.6
537.32709	66.6
538.33246	5.7
573.13062	6.9
573.30328	100.0
574.30652	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	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03453	2.8
58.00585	0.9
59.01377	19.3
61.74483	0.5
61.98834	4.2
62.22476	0.4
69.03452	1.3
69.22875	4.2
71.01377	18.1
72.99303	1.0
73.02944	13.6
79.31915	0.5
81.03454	0.9
82.41073	0.5
83.01389	2.4
85.02949	14.9
87.00883	1.5
87.04512	1.6
89.02432	7.6
97.02941	4.8
99.00872	2.3
99.04497	1.6
100.01663	1.6
101.02440	16.6
103.03987	1.0
109.02922	0.6
111.04481	0.7
113.02441	6.6
115.04021	2.1
115.89893	0.5
117.05612	0.7
119.03517	3.6
125.02369	0.6
127.04030	0.6
131.03493	1.2
133.05063	13.8
139.04025	0.6
143.03542	0.7
144.55450	0.5
145.05049	5.7
151.06084	1.4
157.05040	1.0
159.03006	0.6
161.04552	4.0
166.04260	0.5
166.12566	0.5
175.06107	13.6
193.07143	0.6
205.07222	0.7
217.07143	3.5
235.08229	0.8
277.21701	100.0
278.22031	5.4
295.10309	30.0
298.74091	0.5
313.11316	1.6
369.41422	0.5
551.94141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.5
58.00597	5.7
59.01375	57.8
61.98826	31.5
69.03442	5.5
69.98392	8.7
69.98793	6.9
71.01380	74.3
72.99300	2.7
73.02929	18.4
81.03440	3.9
83.01381	3.4
85.02947	56.4
87.00872	3.0
89.02437	37.3
97.02963	7.4
99.00912	3.2
99.04521	11.3
101.02433	27.9
103.04009	13.5
103.36304	3.5
111.39436	2.9
113.02437	9.0
115.04052	9.2
119.03490	8.8
127.04008	6.1
133.05064	100.0
136.92752	3.5
143.10730	3.3
161.04538	12.2
175.06100	62.2
193.07106	6.5
205.07095	7.0
217.07166	11.9
260.43793	3.6
277.21689	99.3
278.22028	4.8
295.10324	67.9
296.10669	6.1
308.21039	3.8
401.83014	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	574.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78674	0.3
59.01381	2.8
61.98828	100.0
70.72657	0.3
71.01373	0.9
71.50489	0.5
73.02982	0.5
83.21899	0.3
101.02440	0.4
113.02479	0.4
189.78543	0.5
192.40950	0.4
247.47235	0.3
359.67111	0.4
574.33588	0.7
587.53375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24120	1.1
59.01369	3.3
60.01708	0.8
61.98830	100.0
67.00009	0.8
71.01373	4.0
71.42057	1.6
75.63000	0.8
76.30202	0.9
89.02416	2.4
93.52475	0.8
98.20555	1.1
101.02425	1.6
113.02424	0.9
131.49567	0.9
133.05077	1.5
151.06099	2.2
175.06062	1.1
199.38374	0.8
277.21686	4.3
278.22086	4.4
291.23236	2.6
292.23636	2.5
295.10294	1.5
314.11920	1.1
402.84238	0.8
527.67126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06808	0.6
54.03063	0.8
55.86142	0.7
57.03448	9.8
59.01382	19.7
68.88105	0.8
69.43550	2.0
69.43951	3.4
71.01380	11.3
71.96258	0.6
73.02946	5.1
75.00861	6.2
83.01384	0.9
83.05025	0.9
85.02956	3.1
87.00901	0.9
87.75684	0.7
89.02445	7.5
95.05030	2.2
98.20650	1.6
99.00829	0.8
99.08161	36.5
101.02440	7.5
105.03482	2.2
109.06594	1.4
113.02441	7.4
117.01939	2.0
118.98069	1.1
119.03495	2.8
123.04527	100.0
124.04865	1.9
127.07652	54.9
128.08023	1.3
129.05583	23.0
135.03001	18.7
138.03201	1.1
143.03537	0.9
145.70120	0.8
149.04556	0.7
153.05577	55.4
154.05910	2.0
161.04520	6.9
161.05537	0.7
171.06619	12.4
177.04041	3.1
179.05598	1.8
189.07657	2.5
285.09793	18.9
286.10339	0.9
457.17160	26.8
458.17456	1.6
475.88358	0.9
483.76782	0.8
554.06757	0.9
575.19843	9.0
576.20007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63754	1.7
57.03441	8.4
59.01365	4.3
67.63544	1.5
69.46432	10.5
69.46835	2.6
71.01379	5.9
88.08612	1.7
95.05006	3.1
98.19892	2.2
99.08153	39.9
101.02439	3.6
111.77783	1.8
113.02444	2.5
115.09953	1.6
123.04521	100.0
124.04826	2.5
127.07649	55.0
129.05574	21.8
135.02992	5.0
153.05569	63.1
154.05786	2.3
161.04547	9.0
171.06625	11.7
230.67329	1.8
253.69803	1.8
271.40631	1.7
285.09763	22.5
322.23306	1.8
457.17108	20.5
458.17282	3.3
575.19800	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	575.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.6
59.01381	3.1
69.07863	0.6
69.24820	4.1
69.25233	1.4
71.01388	3.0
73.02943	0.8
75.00870	2.2
85.02955	1.5
89.02476	1.4
95.05011	1.7
98.19893	1.0
99.00881	0.7
99.08153	34.1
101.02442	2.1
105.03456	2.4
109.06584	1.3
113.02435	2.2
121.02936	0.6
123.04516	100.0
123.48759	0.6
124.04868	2.4
127.07647	60.8
127.81029	0.6
128.08000	1.3
129.05571	21.3
135.02986	4.7
138.03246	0.8
153.05566	66.4
154.05911	2.3
161.04546	7.8
171.06606	13.5
189.07706	3.7
285.09766	21.4
286.10089	1.3
324.84167	0.6
457.17139	25.6
458.17584	1.8
575.19659	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	575.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.8
59.01377	40.3
60.42878	1.7
63.27547	1.7
70.68411	2.0
70.68731	3.5
71.01378	24.3
76.84309	1.6
83.01418	2.2
83.84393	1.9
85.02953	4.9
87.00859	5.6
89.02434	27.8
93.03452	11.9
96.50835	2.0
96.96001	5.6
99.00875	2.7
101.02436	16.5
113.02416	11.8
113.99561	7.6
115.00372	14.1
116.92847	2.6
119.03502	12.0
119.05016	6.0
129.10309	4.1
133.02931	4.2
152.72673	2.1
157.01408	5.7
165.05574	5.0
175.02507	14.5
185.32948	1.7
221.04500	13.6
293.12372	100.0
293.14935	6.6
294.12674	4.2
318.09760	1.8
441.44443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15461	0.3
57.03445	1.2
59.01380	11.9
61.98829	5.4
69.37292	1.9
69.37715	1.0
71.01377	3.3
73.02943	1.5
78.95910	2.4
83.01369	0.5
85.02948	1.4
87.00894	0.9
89.01823	0.4
89.02428	1.2
99.08133	2.6
101.02421	2.1
109.06569	0.5
110.71402	0.4
113.02458	1.0
115.00363	0.5
120.79966	0.4
127.07645	10.2
129.05568	4.6
131.88904	0.5
131.96979	0.4
138.03223	0.5
138.74916	0.4
145.02924	0.6
147.04503	1.5
152.99593	2.6
153.05574	11.7
161.04549	0.4
161.13362	0.9
171.06630	3.0
189.07458	0.4
198.06819	1.7
205.12384	2.7
218.06007	0.5
226.06339	33.4
227.06693	1.4
241.08688	100.0
242.09058	5.0
249.11308	0.4
261.92258	0.4
265.14304	0.6
309.13425	2.0
327.25314	4.8
397.23276	0.4
403.14023	1.5
454.69199	0.5
515.32300	3.3
533.33545	2.9
534.33966	0.6
564.00281	0.5
575.34473	12.9
576.29773	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	575.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01388	2.7
61.98816	1.3
69.69769	1.9
71.01381	0.5
78.95908	1.2
85.02936	0.5
99.08158	5.1
101.02435	0.5
108.89039	0.3
123.04566	0.5
127.07653	16.5
128.07959	0.3
129.05579	11.1
137.84583	0.3
147.04448	0.6
152.99571	1.6
153.05568	10.0
154.05878	0.3
171.06601	3.8
198.06848	2.1
226.06346	29.0
227.06650	1.0
240.14085	0.4
241.08690	100.0
242.09016	5.3
273.04126	0.5
299.66824	0.3
309.20712	0.5
312.79132	0.3
403.13800	1.7
575.33685	0.6
576.29407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.71748	3.7
69.20425	39.3
71.01371	53.0
73.02937	14.6
85.02958	12.5
87.00854	5.3
89.02438	42.2
101.02421	19.6
102.84396	4.2
113.02464	29.3
117.82302	4.2
119.03484	18.5
119.56052	4.6
129.05588	7.8
143.03500	6.9
150.41260	3.8
161.04520	10.9
179.05598	11.7
187.40906	4.0
189.07689	9.9
251.83748	4.7
279.00500	4.6
295.70837	4.4
387.83884	5.5
388.91245	4.1
533.26093	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	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55485	0.3
55.01876	1.0
57.03442	1.3
58.00596	1.8
59.01377	100.0
60.01722	0.6
61.98833	0.4
67.01936	0.3
69.03463	0.6
71.01379	39.2
72.01737	0.6
72.99309	1.7
73.02944	10.8
74.03243	0.3
75.00899	0.6
75.37997	0.3
83.01379	3.0
85.02947	12.4
87.00876	2.7
88.58035	0.3
89.02441	36.1
95.01382	3.1
95.32787	0.3
97.02958	0.6
99.00893	1.3
99.04575	0.3
99.08163	0.7
101.02438	24.7
113.02445	30.2
114.02770	0.3
119.03499	15.2
120.03899	0.3
123.04527	0.7
125.02477	1.1
127.07674	0.7
129.05653	0.5
131.03491	2.7
143.03488	4.6
147.03032	0.3
149.04550	2.5
153.05608	0.8
161.04543	9.1
175.66342	0.3
179.05602	9.3
180.05986	0.6
204.92755	0.3
260.91730	0.3
323.29187	0.4
357.29150	0.3
457.17288	0.8
515.24933	8.3
516.25726	0.5
533.25983	5.6
534.26202	0.5
575.27008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98825	0.2
71.01367	0.3
73.08569	0.2
78.07987	0.1
80.60212	0.1
83.05017	0.2
84.66738	0.2
96.68694	0.1
98.19882	0.6
102.39016	0.1
114.93511	0.2
127.07648	0.1
135.04510	0.2
179.10027	0.2
233.22673	0.4
259.20621	0.3
274.53714	0.2
274.74228	0.2
275.20074	0.3
277.21689	100.0
278.22040	5.6
391.69327	0.2
413.26923	23.7
414.27316	1.9
415.52081	0.2
575.32092	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	576.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74659	0.4
55.95835	0.4
61.98829	100.0
68.79784	0.4
69.22962	1.9
69.23382	1.8
112.95211	0.4
136.12883	0.4
173.08136	0.4
197.10213	0.4
226.12674	0.4
227.39920	0.4
278.22055	0.8
279.22333	0.5
602.93073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08289	0.5
59.75443	0.4
61.41280	0.5
61.98829	100.0
65.51640	0.5
69.23022	3.3
69.23436	1.1
79.03168	0.7
98.19852	1.0
101.43307	0.5
135.61064	0.5
140.16319	0.5
169.66563	0.6
446.56152	0.5
516.36212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.5
61.98829	1.0
69.84866	1.6
78.95906	6.8
83.05027	0.4
89.68058	0.3
92.66280	0.3
98.19933	0.4
113.07847	0.3
113.36672	0.3
122.50835	0.3
152.99599	1.6
168.04323	2.0
224.06982	1.2
233.22699	0.4
242.08067	3.1
259.20618	0.3
275.20135	0.5
277.21716	100.0
278.22079	5.6
345.15988	0.3
502.29401	29.6
503.29663	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42347	0.5
59.01378	25.6
61.98538	0.7
61.98829	8.1
71.01372	0.7
71.50376	0.6
78.95903	26.4
79.14882	0.4
80.96516	1.3
128.43698	0.5
152.99568	3.8
168.04338	3.6
188.76839	0.5
209.11769	0.8
218.45024	0.4
224.06927	10.1
242.07941	2.5
267.47400	0.4
275.20200	0.6
277.21701	100.0
278.22061	5.3
307.18863	0.6
308.19501	0.8
472.15363	0.6
502.29385	71.2
503.29654	5.5
577.27075	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	577.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01377	31.0
61.98817	2.4
63.48980	0.7
69.77143	4.5
71.01377	31.5
72.57124	0.8
72.99307	6.0
73.02934	1.1
73.50311	0.8
76.91736	0.8
83.60542	0.7
85.02926	1.2
87.00883	1.3
88.61673	0.8
89.02448	8.9
93.03448	9.8
95.01425	0.8
99.08136	1.8
101.02431	5.4
111.00853	2.8
113.02438	2.3
115.00365	62.2
116.00678	0.8
119.03491	2.8
119.05004	2.9
123.04507	9.7
124.04874	1.4
127.07654	2.1
129.05577	1.7
133.01422	100.0
134.01775	1.7
149.06036	1.5
153.05554	2.7
161.04510	2.3
163.03943	1.1
179.05641	1.2
182.07310	2.3
183.08136	1.0
195.08150	5.8
197.09683	22.8
211.07605	1.8
211.11215	2.4
213.12865	4.4
223.07628	1.0
227.10757	1.4
237.09093	1.2
239.10754	9.5
241.08591	1.0
257.11737	4.7
283.09726	16.0
301.10782	53.8
302.11078	3.2
327.08636	2.2
345.09772	29.7
346.10074	2.5
383.09888	4.5
401.10696	1.0
436.94269	0.8
443.09671	1.5
454.86594	0.8
458.17523	1.2
459.17273	1.4
461.10815	6.8
539.34906	0.9
577.24438	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03440	0.9
58.00595	1.9
59.01376	100.0
67.01866	0.5
69.03442	0.4
71.01378	43.5
71.50536	0.4
72.99305	4.6
73.02942	5.8
75.00864	0.7
83.01402	2.4
85.02944	8.3
87.00886	2.0
89.02441	23.6
93.03453	5.7
95.01406	3.5
99.00872	0.7
101.02435	15.6
108.02132	0.6
111.00901	0.9
113.02445	17.4
115.00368	42.2
117.03451	0.6
119.03494	8.0
119.04994	1.7
123.04514	1.3
125.02409	0.6
131.03462	0.8
133.01424	67.9
134.01775	0.9
143.03461	2.7
145.06554	0.5
149.04514	1.0
149.06076	1.4
161.04535	4.7
163.04005	0.6
169.06581	1.1
179.05602	4.6
182.07295	2.0
183.08037	0.6
185.05956	0.7
195.08168	4.3
196.08852	0.5
197.09698	16.9
198.10197	0.5
203.08221	1.3
211.07622	1.0
211.11240	2.2
213.12846	2.9
223.07651	3.3
227.10747	0.7
239.10742	3.6
241.08681	4.9
245.11807	0.9
257.11807	8.8
283.09760	8.9
301.10776	30.6
302.11121	1.6
327.08588	2.1
345.09750	24.6
346.10156	2.1
355.20895	0.7
443.09412	1.2
461.10733	5.0
494.81769	0.6
517.26465	31.1
518.26801	1.4
535.27576	18.5
536.27478	0.8
545.95343	0.5
577.15149	1.4
577.28009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	4.6
60.99293	4.1
61.98824	3.1
71.01385	4.2
71.19284	3.9
72.53707	2.4
78.07911	2.1
79.48092	2.0
81.03423	2.1
85.93701	2.6
87.00846	4.5
88.98800	23.6
93.03481	2.9
96.95988	5.0
98.95583	3.1
109.02972	3.1
115.00365	11.5
116.92870	4.6
119.05021	2.4
123.00853	7.2
133.01450	10.6
135.04486	5.2
137.02437	94.7
157.01382	4.2
160.63156	2.7
163.03937	2.5
175.02510	15.1
179.03447	3.7
183.50549	2.2
188.08240	2.1
204.40509	2.0
221.04553	4.3
232.17220	2.4
235.02457	3.3
254.45338	2.6
295.04572	100.0
296.04929	5.0
326.11856	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	577.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78254	0.3
56.02356	0.3
59.01379	1.0
60.99306	14.7
61.98838	1.7
69.68327	0.5
69.68616	1.9
71.01390	0.4
87.00881	0.3
88.00409	0.5
88.98807	100.0
89.02432	2.8
89.99142	0.7
96.90305	0.3
98.19952	0.3
101.02464	0.5
115.97581	0.3
119.05007	3.1
130.92595	0.4
137.37271	0.3
162.17126	0.3
163.04007	3.9
164.04492	0.3
173.15608	0.3
179.07056	0.4
181.07530	0.3
193.01498	0.3
225.43800	0.3
250.94218	0.4
256.56091	0.4
325.09311	1.6
348.61307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
58.03775	0.5
59.01366	2.4
61.25737	0.4
63.36316	0.5
65.34126	0.4
68.60104	0.5
71.01379	44.9
72.65341	0.5
72.99296	3.4
73.02964	1.5
75.00861	0.7
77.03944	0.5
83.01418	0.4
85.02932	1.2
87.00904	0.5
89.02438	1.0
93.03472	0.5
95.05028	2.3
96.99301	7.6
99.00848	1.0
99.08159	12.0
100.08489	2.8
101.02460	1.7
105.03471	0.9
109.68357	0.4
113.02457	1.9
115.00368	100.0
116.00701	1.2
121.02954	1.0
123.04520	87.2
124.04845	10.6
125.04996	3.4
127.06702	0.7
127.07645	14.8
128.07996	5.0
129.05591	5.7
129.08188	1.3
130.05920	1.0
131.03514	0.4
131.06023	0.9
132.02202	0.7
133.01440	3.1
134.03745	8.6
135.03015	1.2
137.02477	0.5
149.02452	0.6
149.06114	1.3
153.05563	16.2
154.05910	5.8
155.06090	2.6
160.01665	2.6
161.04544	4.9
162.04854	0.7
171.06627	2.9
172.06972	1.8
173.07047	0.8
175.03984	1.8
178.02690	2.1
179.08313	0.5
189.07689	0.9
193.05067	5.1
225.87241	0.4
229.43771	0.7
244.88974	0.5
277.05603	3.0
285.09781	5.7
286.10193	2.6
287.10330	2.7
383.09802	44.6
384.10266	2.9
401.10870	15.5
401.16254	0.7
402.11218	1.0
431.11746	0.6
447.69278	0.5
457.17044	1.0
458.17456	2.0
459.17709	5.7
501.52338	0.4
539.34943	0.5
577.20056	2.1
577.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79696	0.6
57.03428	0.7
59.01374	12.8
61.28416	0.6
64.70324	0.6
66.13854	0.6
67.81586	0.7
70.91544	1.6
71.01379	51.2
72.99312	5.9
73.02938	2.3
83.01373	0.8
85.02935	3.7
85.81655	0.6
87.00867	2.9
89.02440	3.3
89.88625	0.6
95.01375	1.0
95.05011	0.9
96.99308	5.6
99.00877	1.9
101.02452	4.7
104.81475	0.5
105.03503	0.9
113.02457	4.5
114.36808	0.7
115.00368	100.0
116.00719	1.5
119.03479	1.2
121.10239	0.7
123.04520	59.5
124.04866	1.8
132.02217	1.4
133.01416	6.6
134.03726	6.5
135.02998	0.8
137.02464	1.0
149.06065	1.3
160.01691	4.5
161.04543	3.9
175.04019	2.7
193.05049	5.0
277.05643	1.9
285.09875	4.2
325.10938	1.0
337.10849	1.2
355.24902	2.4
373.26077	4.2
383.09796	48.7
384.10229	3.6
401.10861	25.7
402.11310	2.0
517.30139	9.5
518.30304	0.7
535.31653	1.3
577.15668	1.6
577.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31588	0.5
55.01870	0.7
57.03432	0.8
58.00571	1.2
59.01376	27.6
61.98823	4.0
66.76460	0.4
67.85338	0.5
69.18260	0.7
69.18661	3.9
71.01376	27.5
71.02702	0.5
72.99306	1.2
73.02953	3.9
75.00840	0.4
75.33043	0.5
83.01380	1.7
85.02937	6.5
87.00860	1.1
89.02438	18.6
91.76238	0.5
93.03456	0.6
95.01373	1.9
97.02978	0.5
99.00865	1.9
101.02444	13.1
108.02176	0.7
113.02445	9.3
115.00355	1.0
119.03513	6.5
121.02943	2.7
123.04518	1.0
125.02451	0.6
131.03467	1.1
133.05066	1.6
143.03468	2.0
149.04568	0.5
161.04558	12.6
163.04028	0.6
164.04793	5.5
178.04977	0.5
179.05644	7.5
179.07114	100.0
180.07458	3.0
228.27304	0.4
235.08192	5.2
336.27646	0.6
340.42340	0.5
383.09192	0.5
415.16071	18.4
416.16318	1.8
560.17297	0.5
577.21722	5.5
578.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00601	0.2
59.01377	100.0
60.01712	0.6
60.99298	0.3
61.98841	1.0
71.01385	2.0
71.50774	0.2
73.02952	0.5
83.01439	0.2
83.05029	0.3
85.02949	0.6
87.08002	0.2
88.98809	1.3
89.02442	0.7
93.03459	0.6
93.07076	0.4
95.01390	0.3
96.96017	0.5
98.27226	0.2
99.00875	0.2
99.04528	0.3
99.08163	0.5
101.02443	0.9
110.10952	0.2
111.00876	0.6
113.02469	1.1
115.00407	0.2
119.03519	0.3
123.04516	1.9
127.07651	0.5
127.35370	0.2
129.05580	0.5
135.04561	0.2
135.11858	0.2
137.02429	1.4
147.04507	0.6
150.06850	0.7
153.05556	0.8
156.24460	0.2
161.04544	0.7
161.13351	20.5
162.13701	0.8
163.11264	0.6
169.94333	0.2
171.06619	0.4
187.11275	1.4
199.23495	0.2
201.12479	0.2
205.12320	48.0
206.12650	1.9
207.10341	1.3
223.13356	0.7
236.93428	0.2
247.13464	0.2
249.11296	9.5
250.11612	0.5
265.14359	0.3
267.12280	0.6
270.01724	0.3
281.06592	0.8
309.13419	3.3
310.13684	0.2
327.22769	0.2
329.15869	0.2
367.17587	6.4
368.17740	0.3
403.23221	0.6
405.11890	2.2
411.16455	0.7
517.20654	3.3
517.29962	1.4
518.20587	0.4
535.21631	1.1
535.30035	0.3
577.15924	0.3
577.22687	2.7
577.32147	1.1
578.23322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36512	0.4
57.03462	0.6
59.01378	100.0
60.01706	0.7
61.98826	8.9
63.02084	0.4
69.25134	3.1
71.01405	2.1
72.99294	0.4
73.02988	0.5
78.95906	0.7
80.99767	0.4
85.02953	1.0
89.02470	0.4
98.19861	0.8
99.08145	0.4
101.02464	1.0
105.01962	1.6
113.02477	1.4
123.04481	0.6
135.08224	0.7
137.02496	0.5
147.04555	1.3
150.06891	1.2
161.04601	1.5
161.13354	26.9
162.13733	1.0
163.11327	1.2
174.01651	2.1
175.02426	0.4
179.10791	2.4
187.11220	2.0
189.07770	0.4
205.12317	45.0
206.12700	1.6
207.10242	1.1
223.13420	0.7
249.11320	7.3
250.11775	0.5
267.12390	0.6
309.13379	2.4
367.17596	7.4
500.71512	0.5
517.20874	4.2
517.33411	0.5
533.24139	0.5
535.22021	1.2
577.22797	4.1
577.36890	0.9
578.23065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00093	0.2
59.01376	100.0
60.01709	0.8
61.98826	2.8
70.88129	0.4
71.01390	1.0
83.01376	0.3
83.05019	0.4
84.35989	0.2
89.02476	0.6
99.04515	0.5
99.08144	0.4
101.02436	0.7
108.87119	0.2
111.02172	0.2
113.02470	0.8
119.04957	0.3
123.04510	1.9
125.49464	0.2
127.07666	0.4
135.03024	0.3
137.02464	0.4
147.04518	3.0
150.06833	1.8
159.11725	0.4
161.04558	0.6
161.13350	21.4
162.13704	0.7
168.88760	0.2
174.01691	0.2
187.11230	1.6
205.12315	55.0
206.12675	2.3
207.10208	0.6
223.13324	1.8
229.12404	0.6
249.08694	0.4
249.11304	8.7
250.11647	0.4
265.14401	3.3
267.12387	0.6
274.55072	0.3
281.04465	0.6
295.09814	0.3
309.13412	29.8
310.13727	1.9
351.97272	0.3
367.17636	1.4
367.21524	0.2
411.16559	0.3
446.92960	0.3
471.18723	0.6
517.20685	1.2
517.34937	0.3
552.61823	0.3
577.22888	4.9
577.31000	0.3
577.36450	0.3
578.23242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44072	0.2
57.03439	0.4
59.01377	100.0
60.01711	0.8
61.14713	0.2
61.86684	0.2
71.01388	0.4
71.26935	0.4
93.07087	0.4
105.07091	0.2
137.02440	0.8
143.79416	0.2
150.06850	0.7
161.04526	0.5
161.13353	19.9
162.13730	1.1
163.11250	0.6
187.11296	1.6
205.12318	46.4
206.12640	2.5
207.10214	1.7
218.37384	0.2
220.97667	0.2
223.13431	0.6
249.11298	10.0
250.11600	0.4
267.12384	0.8
275.73093	0.3
309.13422	3.1
310.13589	0.4
367.17584	7.7
368.17822	0.5
411.16733	0.6
517.20831	3.8
518.21088	0.4
535.21362	1.4
562.71729	0.3
577.22955	3.5
578.23254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.94033	0.5
61.98832	0.7
69.75674	1.7
69.76080	0.8
71.01408	0.5
98.19997	0.9
103.89908	0.4
120.05800	0.5
123.04517	0.5
150.06879	1.0
161.04480	1.0
161.13356	27.8
162.13766	0.7
163.11316	0.7
173.15193	0.4
187.11243	2.3
205.12320	50.5
206.12717	1.4
207.10292	1.5
217.99112	0.5
223.13449	1.0
249.11299	8.9
249.13695	0.6
267.12408	1.0
291.12195	0.5
309.13391	2.5
367.17545	7.1
409.99698	0.5
411.16614	0.6
461.03967	0.5
517.20728	4.0
535.22186	1.3
577.22803	4.5
580.36261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
58.00574	0.4
59.01377	100.0
60.01697	0.5
60.28467	0.4
61.98830	1.7
64.30863	0.5
69.03454	0.8
71.01376	4.5
71.05611	0.7
72.99315	0.5
73.02939	1.1
79.05527	0.4
81.47929	0.4
83.01401	0.7
83.05048	0.5
84.02154	1.3
85.02947	1.3
87.00906	0.4
87.48605	0.4
89.02443	2.8
93.07102	0.5
95.05007	0.4
97.02953	0.4
97.06602	2.9
99.04519	1.5
101.02444	3.8
105.07089	1.2
107.04993	0.4
109.06630	0.3
111.00869	1.4
113.02452	2.2
113.06072	0.5
116.46679	0.4
119.03468	1.1
122.13362	0.4
123.04477	0.7
123.08143	0.4
125.09740	0.6
132.02673	0.4
137.09689	0.4
143.03450	0.4
147.04456	0.7
150.06851	1.4
159.11737	0.6
161.04541	1.8
161.12003	0.8
161.13347	15.9
162.13675	0.4
171.10240	2.7
172.63268	0.4
179.05608	0.7
183.13844	1.1
187.11230	3.6
188.28172	0.5
193.12323	3.0
201.11139	0.3
203.14375	0.5
205.12315	56.8
206.12730	2.0
211.13315	2.0
223.13347	2.7
225.14931	4.8
229.12344	1.5
242.02049	0.4
243.15935	1.6
249.11298	16.6
250.11795	0.5
253.09251	8.4
253.14595	0.4
265.14395	3.8
266.14758	0.5
267.12311	0.7
291.12338	0.5
291.19595	0.8
309.13406	45.7
310.13638	2.7
341.23285	32.2
342.23541	1.5
367.17825	0.5
411.16547	0.7
471.18192	1.8
517.20660	4.1
517.29791	1.2
577.15326	1.1
577.22894	11.2
577.31750	1.1
578.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01497	0.5
56.37849	0.5
59.01372	1.9
63.96232	1.6
69.35661	2.1
69.36067	1.6
71.01379	6.7
72.99282	0.5
73.02934	2.8
74.43922	0.5
78.95924	0.6
78.98582	5.8
79.95736	9.9
80.96513	70.6
81.03452	0.7
85.02962	2.6
87.00872	2.4
94.98081	15.5
96.96029	1.4
97.02943	1.7
98.19962	1.1
101.02444	2.9
103.25513	0.5
106.98092	3.1
108.22030	0.5
112.17624	0.5
122.97581	6.1
125.02441	3.7
127.04013	1.0
134.97552	3.5
136.99121	0.8
148.99152	5.3
152.98625	7.2
164.98625	10.7
176.98735	0.5
182.99709	1.5
206.99704	2.7
225.00719	14.3
243.01711	0.9
277.21661	1.4
279.23257	6.6
299.04373	2.7
465.73792	0.5
504.30847	2.6
577.26825	100.0
578.27130	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49149	0.7
59.01357	1.1
61.98827	35.3
63.96222	1.5
66.60025	0.8
69.21705	4.6
69.22127	2.3
70.50820	0.8
71.01381	6.8
73.02934	1.5
74.08179	0.7
78.98585	6.6
79.95731	12.1
80.96514	71.1
81.03449	1.5
85.02941	2.7
87.00872	2.7
94.98083	15.3
97.02924	1.5
98.19931	1.2
101.02470	1.6
106.98067	3.2
122.97574	4.4
125.02428	1.9
127.03987	1.6
134.97585	5.5
136.99124	2.0
138.50912	0.8
142.07545	0.8
146.97514	0.9
148.99120	7.6
152.98624	4.6
154.93791	0.7
164.98601	10.5
206.99591	1.6
225.00703	14.9
225.02777	1.4
277.21710	1.4
299.04382	2.4
317.05820	0.8
332.35861	0.9
577.26831	100.0
578.27118	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01365	1.0
59.74308	0.4
61.98824	1.0
69.03397	0.3
71.48340	0.4
97.06573	1.2
100.95334	0.3
111.08115	0.5
111.55228	0.4
111.56004	0.4
113.06108	0.4
113.09700	1.1
125.06074	0.5
126.06811	0.4
139.11302	0.4
141.09229	1.0
151.11212	0.4
157.53987	0.4
165.12820	2.6
167.10657	0.5
167.14384	1.0
181.12329	2.6
183.13919	0.6
193.12337	1.1
193.15942	0.4
195.13918	1.5
211.13432	2.4
213.15028	0.6
221.15431	1.4
240.13649	1.3
247.20691	2.7
265.21591	0.5
266.64194	0.4
273.18546	2.3
281.21216	1.1
291.19650	22.2
292.20029	1.5
309.20691	100.0
310.21042	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.4
61.98846	5.2
71.01379	2.8
76.75970	0.8
89.02441	1.3
101.02449	3.0
103.05972	0.8
103.18765	0.8
113.02475	1.2
122.03727	2.9
129.53990	1.0
132.16185	0.9
142.01878	0.9
161.04427	0.9
170.83302	0.9
190.88181	0.8
235.08252	2.2
253.09317	10.1
277.21841	1.7
278.22113	2.5
279.22455	1.3
281.24844	100.0
282.25229	6.4
299.16434	1.3
345.91479	0.9
409.23639	2.5
416.78616	0.9
427.25076	2.2
466.13211	0.9
577.35211	13.2
578.36108	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	577.4235
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
53.46511	0.4
59.01365	1.6
61.98814	0.6
64.95592	0.4
96.95996	0.6
98.19949	1.1
199.13414	0.5
207.10312	0.4
225.11278	1.7
233.22714	0.9
238.41409	0.4
243.12268	0.5
275.20169	0.5
277.21716	100.0
278.22034	5.4
319.64560	0.5
577.42456	39.6
578.42859	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	578.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
59.01377	6.4
60.99317	0.5
61.98830	100.0
71.01380	4.0
73.02942	0.6
74.02466	1.2
83.01408	0.3
85.02960	1.1
87.00867	0.6
88.98802	3.7
89.02446	2.3
95.01427	0.3
98.20701	0.4
99.00896	0.2
101.02435	1.8
113.02456	1.3
115.00431	0.7
119.03552	1.1
119.05028	0.3
123.04510	0.6
124.10954	0.3
127.07628	0.4
133.01482	0.8
139.08626	0.2
157.59032	0.2
161.04562	0.3
175.02495	0.4
179.05615	0.5
187.13441	0.3
197.09653	0.3
212.45750	0.3
243.10304	0.9
253.05122	0.4
254.05362	0.4
323.86954	0.3
501.31339	0.3
517.30585	0.6
518.30988	0.6
519.31976	1.0
535.27637	0.3
536.28473	0.4
551.92578	0.2
578.31879	2.9
579.31146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62616	0.5
61.98829	100.0
69.23386	4.1
69.23783	0.7
75.87822	0.4
80.96503	0.7
94.51836	0.5
94.67635	0.4
134.59402	0.4
184.26271	0.5
226.51344	0.5
276.64777	0.5
279.23242	0.5
280.23801	0.9
317.70944	0.5
458.02127	0.5
579.28467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.74805	0.7
70.81448	1.5
71.01389	0.7
74.06637	0.7
78.98577	1.1
79.95740	0.9
80.96515	7.1
86.76943	0.8
88.14277	0.7
94.98070	1.7
98.20525	0.8
111.04959	0.7
115.90267	0.7
118.14043	0.7
128.78940	0.9
136.48489	0.7
156.53636	0.8
164.98610	1.4
168.52356	0.7
206.97928	0.9
224.27068	0.8
225.00723	1.3
233.52394	0.8
485.38675	0.8
579.28406	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24188	0.6
59.01374	21.1
59.07688	0.5
61.98826	24.7
63.99240	2.4
66.94537	0.5
69.32912	2.3
69.33351	2.3
71.41115	0.5
78.95898	21.6
102.34308	0.5
152.99553	2.6
163.04008	1.0
168.04324	2.8
168.81540	0.7
181.68784	0.6
224.06892	8.4
242.07957	1.8
266.98529	0.6
279.23257	100.0
280.23651	6.5
293.62387	0.7
309.28516	0.7
311.53122	0.6
327.78918	0.7
504.30930	64.5
505.31201	5.9
542.24622	0.7
578.27441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	52.0
60.01709	1.2
61.98818	3.1
63.02409	0.8
65.00314	0.8
71.01381	9.4
71.50337	1.1
71.52410	0.5
72.01694	0.9
72.99306	1.5
73.02939	2.5
83.01373	1.8
85.02935	2.2
87.00878	0.9
89.02431	5.6
93.03460	0.7
95.01373	0.8
101.02433	4.0
102.02760	0.8
107.01361	1.8
108.02191	0.7
109.02937	1.2
113.02476	4.1
114.53394	0.6
115.00383	3.7
119.03503	1.9
121.02943	2.5
123.04533	1.6
125.02450	0.8
126.90416	1.1
127.07622	1.0
128.52792	0.7
131.03474	0.6
133.01428	2.0
135.00833	0.7
148.01627	1.2
151.00365	10.9
161.04533	1.5
163.00348	2.4
163.03951	1.0
164.01131	0.8
175.03969	1.4
177.01900	0.7
178.99800	5.7
179.05588	0.9
203.80731	0.7
211.03957	0.9
225.09171	0.8
226.02730	1.0
227.03426	3.5
229.05162	0.7
243.02885	6.8
245.04425	0.9
248.05717	0.9
249.01814	0.6
249.06046	0.9
254.02191	1.0
255.02954	24.9
256.03345	0.8
266.06619	0.9
267.07050	0.8
271.02448	38.8
272.02896	3.5
279.06729	0.6
281.08029	0.9
283.02499	1.8
283.09723	0.8
284.03247	3.9
285.03958	3.8
293.08386	1.1
297.07648	3.4
299.02066	0.9
300.02725	81.1
301.03488	42.0
301.06403	0.6
301.10712	0.9
302.03812	2.1
302.10767	0.8
309.07745	5.6
309.11108	0.8
310.33258	0.7
312.09933	4.1
324.09903	3.9
327.08676	1.1
327.12341	15.3
328.12662	1.1
339.12332	15.8
354.24963	0.6
463.08801	100.0
464.09106	10.4
505.09796	1.7
518.27008	1.7
519.27197	1.3
536.28241	1.2
556.58331	0.7
561.08698	5.6
579.09308	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	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14556	0.3
53.84067	0.3
56.44786	0.3
59.01377	5.0
61.98834	1.9
63.02370	1.0
65.00320	3.2
68.99792	0.3
71.01376	2.4
71.50791	0.6
73.02932	0.7
83.01373	2.6
85.02936	0.9
89.02425	1.0
95.01400	0.4
101.02419	1.2
103.07736	0.3
107.01382	3.6
108.02168	0.5
109.02931	0.8
111.00880	0.4
113.02438	1.0
119.05006	0.4
123.00980	0.3
123.04485	0.3
125.02412	0.7
127.07580	0.3
130.04213	0.3
131.01414	0.7
133.02954	0.8
136.01625	0.3
136.37759	0.3
137.02533	0.4
140.45898	0.3
141.07083	0.6
142.28073	0.2
145.06599	3.2
149.02405	0.5
151.00363	8.2
155.08490	0.4
161.04543	0.3
164.01147	0.6
169.06575	1.6
171.04494	5.1
172.05200	1.4
173.06088	0.5
173.88039	0.3
175.00304	1.4
183.08113	0.9
185.06131	0.6
187.07677	1.5
188.01286	0.4
193.06650	0.4
211.07619	5.7
213.05527	3.7
225.05457	0.4
227.07037	0.5
241.08597	0.5
251.07022	0.5
255.06607	100.0
256.06961	4.7
269.08203	1.4
279.06586	7.2
280.06912	0.4
297.07669	2.3
309.07660	0.4
321.07803	0.4
331.17618	0.4
337.89371	0.3
401.06467	0.4
416.09064	0.5
519.31488	1.2
537.31494	0.3
579.16907	7.9
579.30621	0.4
580.17096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19460	0.4
59.01368	1.2
61.18416	0.4
65.88811	0.4
68.01833	0.4
70.77578	1.1
71.01379	13.7
72.99287	0.7
78.95930	0.4
85.97488	0.5
87.00864	11.5
87.04507	1.7
89.02439	2.5
93.03442	1.0
109.55731	0.4
115.00378	4.2
130.99997	0.4
133.01434	9.1
133.05060	100.0
134.05385	1.7
135.02934	0.5
135.04547	1.0
137.72144	0.4
161.18962	0.4
165.05565	3.4
201.10574	0.5
267.87677	0.4
283.08206	5.7
355.92212	0.5
445.13541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94957	0.7
56.95161	0.8
59.01377	100.0
61.98822	2.3
68.29571	0.8
69.59913	2.9
69.60311	1.8
71.01384	4.5
73.02927	1.1
82.35407	0.8
85.02924	0.9
89.02441	2.3
94.46287	0.9
101.02457	2.6
111.00889	1.5
113.02457	0.9
115.00372	3.3
116.92842	1.6
119.03543	1.3
119.04972	0.8
121.02942	1.3
123.04549	1.8
133.01424	1.2
134.74071	0.8
150.03224	1.3
175.03835	0.8
190.06264	1.2
195.02930	0.9
222.05280	1.0
225.05562	2.9
240.07777	1.3
242.52829	0.9
258.03513	6.5
273.05896	17.4
279.06726	1.3
281.08218	2.2
291.06418	1.1
293.08334	1.4
294.09042	1.3
296.10706	1.0
297.07709	7.3
300.02753	1.6
309.07617	11.3
309.11270	2.7
310.07916	1.1
312.09998	9.9
322.98361	0.9
323.09198	2.9
324.10010	9.4
325.10318	0.9
327.12344	41.5
328.12650	3.1
339.12350	37.2
340.12650	3.1
383.09818	1.8
417.11200	1.8
463.08743	1.3
484.50830	0.9
501.19409	1.5
579.15686	4.4
579.25671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
59.01378	100.0
60.01691	2.8
61.98806	6.3
69.14787	21.9
71.01382	63.5
72.99310	4.7
73.02957	17.3
83.01391	6.7
85.02960	17.1
87.00871	2.6
89.02443	35.5
95.01383	5.8
98.20620	4.0
99.00872	4.2
101.02440	32.4
113.02438	35.2
115.00341	15.8
117.02013	2.1
119.03490	15.9
123.04500	2.5
125.02409	3.4
128.99707	2.2
133.01421	17.1
133.02924	3.0
143.03459	5.9
150.03157	2.8
161.04544	8.7
177.02022	2.1
179.05602	6.6
200.23868	2.1
211.07692	3.7
234.36139	2.1
283.02582	2.4
313.16479	2.9
401.11011	3.1
417.10675	5.9
475.21808	47.7
476.21637	5.2
493.22873	42.9
494.23108	2.5
518.25787	2.3
519.27240	4.1
535.24042	5.9
537.28015	3.9
579.16577	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	579.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72857	0.3
54.23211	0.3
59.01376	100.0
60.01717	0.5
60.17805	0.3
61.98822	1.1
69.32327	1.0
69.32751	1.7
71.01371	0.9
73.02933	0.5
88.98809	1.4
89.02429	0.5
95.57895	0.3
99.04516	0.8
101.02436	1.0
113.02444	0.5
119.49806	0.3
120.70643	0.3
161.04536	0.9
161.13361	0.4
165.12801	0.6
177.01964	0.5
189.12759	0.5
206.12714	0.5
207.13879	44.3
208.14238	2.1
209.11841	3.5
211.13345	0.4
225.14914	0.5
229.14371	1.0
251.12865	14.9
252.13148	0.6
269.13766	1.8
284.76535	0.4
293.13617	0.4
311.14969	6.9
312.15408	0.5
343.24759	0.9
369.14502	0.7
369.19138	10.5
370.19537	0.8
398.19446	0.3
413.18085	1.8
473.20206	0.5
519.22278	3.9
519.30676	0.6
535.25012	0.6
537.23456	1.3
579.24359	6.3
580.24689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	76.7
61.58239	11.0
61.98836	100.0
70.51832	51.2
70.65443	11.7
71.01353	20.4
78.95884	14.8
99.08145	14.2
119.05022	34.7
123.04501	20.1
140.56506	12.3
147.04532	13.4
156.79213	12.6
163.04015	27.2
165.61394	11.6
182.36261	11.0
207.13919	19.5
251.12843	17.7
307.19058	18.9
406.15820	16.0
579.25476	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72057	5.6
56.56995	5.4
57.03442	6.2
59.01378	100.0
60.01702	7.7
61.98832	74.3
71.01389	10.8
78.95929	8.5
96.96026	7.2
101.02451	10.2
119.05046	11.8
133.02945	9.7
134.03754	6.7
163.04024	19.6
174.01659	9.7
183.67911	6.6
205.12300	9.6
206.12717	10.0
207.13846	11.8
289.18079	14.2
522.90131	6.6
542.14014	6.9
579.24561	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	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	81.1
59.66942	9.7
61.98826	100.0
70.18587	8.2
71.01396	11.5
71.50430	16.6
75.59563	8.1
96.95975	8.8
119.05009	28.3
123.04542	11.2
127.07632	8.8
153.05551	7.9
163.03996	19.6
169.19563	8.6
205.34839	8.7
207.13857	12.5
219.82675	9.2
219.99516	8.7
245.19237	8.2
251.12823	16.5
253.09265	12.2
257.14725	9.0
285.06622	10.5
289.18057	15.6
307.18976	22.1
311.14917	14.9
363.67105	8.8
415.11896	11.1
540.33453	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	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98825	6.9
63.96221	0.8
71.01377	6.7
73.02945	1.5
78.98590	4.9
79.95731	8.1
80.96512	60.5
81.03430	0.7
83.01370	0.5
85.02948	2.0
87.00873	2.0
93.97313	0.6
94.19147	0.4
94.98085	13.8
96.96011	1.1
97.02959	1.3
98.19910	1.5
101.02452	2.8
106.98073	2.3
114.98834	0.4
122.97577	5.1
125.02400	2.2
127.03970	0.5
134.97572	3.7
136.99136	0.9
140.53345	0.5
145.70685	0.4
148.99129	6.3
152.98611	6.3
164.98618	9.9
179.00085	0.7
181.22533	0.6
182.99663	1.9
206.99693	2.2
225.00743	12.6
243.01837	1.3
279.23239	3.2
281.24777	2.8
299.04355	2.3
469.35394	0.5
579.28387	100.0
580.28705	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	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
59.26738	0.8
61.98835	2.0
63.96226	1.4
64.15166	0.6
66.03546	0.8
70.00503	0.8
70.00781	3.5
71.01382	8.0
73.02944	1.8
75.00879	0.7
78.98594	6.1
79.95726	10.6
80.96515	65.9
85.02951	2.8
87.00864	2.7
94.98083	14.7
96.96014	1.4
97.02916	1.6
99.00871	0.8
101.02440	2.7
103.63737	0.7
106.98086	2.8
122.97574	3.3
125.02424	2.3
134.97574	4.7
136.99104	1.5
148.99147	6.0
152.98610	5.2
164.98619	11.5
183.88759	0.7
201.24893	0.8
203.07846	0.7
206.99660	1.5
225.00752	13.4
239.04477	0.8
255.23225	1.0
279.23221	2.9
299.04453	3.0
341.60034	0.8
579.28406	100.0
580.28741	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	579.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28069	0.6
55.01880	3.1
55.39291	0.8
57.03442	3.0
58.00585	2.5
58.52280	0.8
59.01377	74.0
60.72720	0.8
61.98839	3.3
69.42216	4.6
71.01378	61.3
72.74635	0.7
72.99310	3.4
73.02947	9.7
74.02470	0.9
78.65939	0.7
83.01404	5.3
85.02940	19.2
87.00866	3.8
87.04507	0.8
89.02440	49.2
95.01395	4.3
97.02952	0.9
98.19849	0.7
99.00878	4.1
101.02439	40.4
111.00881	1.7
113.02446	23.9
115.00360	2.3
119.03503	20.5
125.02386	1.6
129.01941	2.5
131.03485	2.1
143.03513	4.9
149.04565	1.9
159.02960	2.3
161.04541	13.2
179.05614	10.9
205.99091	0.8
255.19719	1.0
283.09747	0.8
417.24890	31.2
418.25232	2.2
519.31744	2.9
539.82501	0.8
579.30188	100.0
580.30579	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	579.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03451	2.7
58.00582	2.2
59.01378	49.8
61.98814	1.6
65.00315	0.6
69.18517	3.5
69.18940	1.8
71.01379	45.6
72.01672	1.2
72.99303	2.1
73.02943	8.9
75.00866	0.9
76.48686	0.5
83.01381	5.0
84.02127	0.6
85.02946	17.6
87.00866	2.3
87.04541	0.6
89.02440	25.8
95.01405	2.6
97.02981	0.6
99.00877	3.1
101.02438	26.9
111.00883	0.8
113.02449	16.5
115.00351	3.6
116.00705	0.7
117.00823	0.8
119.03499	9.9
119.04984	1.0
123.04510	1.3
125.02471	0.8
129.01891	1.8
129.02765	0.5
131.03468	1.0
133.01389	1.2
134.03766	0.5
143.03465	2.4
149.04584	0.6
151.00340	3.4
159.02965	2.0
161.04546	8.3
163.03831	0.6
166.02707	4.4
179.05550	3.7
181.05052	5.0
209.04443	0.7
250.98225	0.6
257.11887	0.5
271.05966	1.6
343.21259	1.4
361.48450	0.6
385.10342	0.8
417.16046	6.9
417.24875	26.3
418.15900	0.8
418.25204	1.8
471.55289	0.7
502.82428	0.6
519.31738	2.3
561.27478	1.0
579.30182	100.0
580.30511	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	579.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.04808	0.1
61.98826	100.0
62.98496	0.1
64.79676	0.1
67.63272	0.1
71.50805	0.2
78.26472	0.1
78.95912	0.4
96.96043	0.2
111.39638	0.1
117.57567	0.1
118.75935	0.1
135.65889	0.1
152.99614	0.4
159.57928	0.1
171.00848	0.1
173.92648	0.1
192.66028	0.1
235.10104	0.1
277.21686	2.1
278.22101	0.5
279.22495	0.5
280.22577	0.3
329.00293	0.1
353.26282	0.2
381.93750	0.2
502.29288	0.7
505.30051	0.2
579.30505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51194	0.3
54.53942	0.3
59.01375	1.1
61.98824	100.0
71.50677	0.3
71.51037	0.5
78.95898	0.7
80.96516	0.6
82.96088	0.3
96.95983	0.4
182.88881	0.3
186.50789	0.3
239.99033	0.3
277.21719	1.5
278.22076	0.5
309.20776	0.3
349.27649	0.3
502.29599	1.2
551.30652	0.4
579.28455	2.2
600.33960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26565	0.5
55.38341	0.5
59.01376	9.8
61.98819	1.6
69.91634	2.4
71.01374	2.0
73.02934	0.8
85.02975	0.8
89.02436	2.4
89.53179	0.6
101.02426	2.1
113.02415	1.2
161.04575	1.4
163.04178	0.6
224.19061	0.6
235.08224	1.8
253.09285	10.8
269.24826	1.6
283.26404	100.0
284.26849	6.9
316.38367	0.6
453.29828	0.5
497.28961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39462	0.3
54.55662	0.3
55.85509	0.3
58.10895	0.3
59.01375	5.2
59.26027	0.3
59.76314	0.3
60.01708	0.5
61.01707	0.3
61.98829	100.0
71.01382	1.7
71.50179	0.4
71.50562	0.4
73.02943	0.3
80.94061	0.3
85.02937	0.5
89.02450	0.7
101.02451	1.0
113.02464	0.6
115.00375	0.4
119.05077	0.4
133.01479	0.5
161.04541	0.6
163.04077	0.4
179.05602	0.4
206.12767	0.4
232.31985	0.5
232.41664	0.3
257.11847	0.6
284.02881	0.6
324.07410	0.5
520.32471	0.6
580.16907	0.5
580.27240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.98827	100.0
69.20437	0.4
69.20838	2.1
71.01403	0.3
73.02973	0.3
78.95920	0.6
79.95739	0.4
80.96516	3.7
88.00408	0.3
89.02493	0.4
94.98094	0.9
96.96028	1.3
108.13163	0.2
110.91254	0.2
116.45210	0.2
152.98587	0.4
164.98625	0.7
225.00786	1.0
255.23270	0.6
281.25012	0.7
282.25327	0.8
283.25589	0.4
456.97040	0.3
483.27194	0.4
581.20703	0.7
581.29883	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	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69629	1.0
59.01112	1.0
59.01380	12.1
59.72633	0.8
61.98829	100.0
62.98529	1.0
63.15550	0.9
63.99253	10.4
66.13071	0.9
69.11448	0.8
71.01390	1.3
78.95901	4.1
78.98576	1.7
79.95712	2.8
80.96516	19.6
94.98084	4.0
98.20760	2.0
99.12404	0.9
115.71605	1.0
122.97671	1.1
125.02418	1.3
130.37680	0.9
148.99123	1.2
152.98531	1.9
152.99667	1.5
164.98622	3.4
174.13724	0.8
200.61673	1.0
206.99745	1.4
225.00777	2.8
229.62956	1.4
240.59789	0.9
242.07999	1.9
243.95828	0.9
281.24847	81.8
282.25171	4.5
383.25110	1.1
484.86032	1.0
506.32410	21.1
507.33011	1.2
580.28748	29.5
581.28625	3.6
596.46686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91203	0.9
59.01386	5.7
61.98826	100.0
69.72006	3.2
69.72401	1.6
71.01377	3.5
83.01342	0.7
85.02966	1.7
87.00874	9.2
97.86779	0.8
98.09274	0.9
101.02451	2.1
106.06618	45.9
108.08205	1.6
111.00854	1.9
113.02457	2.7
115.00346	0.8
118.06579	1.0
120.08212	1.1
121.07306	0.9
128.61684	0.9
134.03761	0.9
146.06093	1.0
150.05589	46.5
151.05959	1.1
163.03981	1.1
164.07164	12.0
165.05559	2.1
175.04041	1.1
190.06329	3.1
191.07173	2.8
192.06642	6.2
192.20171	0.9
193.04956	1.1
194.01906	1.0
194.04552	16.4
194.06131	1.4
205.08694	2.0
208.07487	1.1
236.05605	4.5
257.08087	3.7
294.49512	1.0
296.07693	3.5
313.09235	2.7
356.09839	81.7
357.10352	4.2
389.16016	13.5
398.11005	1.3
518.15070	2.0
597.63617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34399	0.2
53.05589	0.2
59.01371	0.9
61.98847	0.5
70.85592	0.6
75.44054	0.2
89.04001	0.3
91.05524	0.6
92.96721	0.2
93.03466	0.4
96.96063	0.3
98.29077	0.2
106.04227	0.3
107.05026	1.5
108.02215	0.3
109.02949	0.6
116.24000	0.2
117.03464	0.6
133.02911	0.6
134.03745	6.3
135.04520	82.0
136.04831	1.8
137.06067	0.5
142.73885	0.2
145.02965	0.8
161.02481	1.1
179.03490	100.0
180.03813	2.8
181.05081	1.8
193.05014	0.3
197.06137	0.4
210.22256	0.2
225.05533	1.0
226.06363	0.3
237.05501	0.2
249.05534	0.6
287.10864	0.3
299.10559	0.3
301.08813	0.5
315.10208	0.8
326.09595	0.3
327.06598	0.3
327.10233	0.6
329.08194	0.4
342.08609	0.4
343.09723	4.0
344.10352	0.3
353.08066	0.6
354.08926	0.5
355.09668	0.4
370.08377	0.3
371.09219	13.2
372.09750	1.1
385.10568	0.4
386.11554	6.8
387.12177	1.1
401.13898	7.5
402.14502	0.4
581.18054	4.9
582.18494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1871
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
61.98524	0.6
61.98817	3.6
69.39071	4.1
87.00878	0.8
88.20119	0.6
96.88258	0.7
106.06600	1.4
130.06549	0.7
150.05583	1.1
174.01653	0.9
197.06046	1.2
198.06963	0.6
213.05608	5.1
214.06163	1.2
226.02647	4.0
240.04269	4.2
241.05034	53.1
242.05574	5.7
255.06592	17.9
255.09280	0.9
256.07373	100.0
257.08057	16.0
269.08127	0.6
271.09662	0.9
299.09277	0.8
311.09073	1.1
356.09656	1.8
419.13443	89.7
420.13867	6.8
480.19568	0.6
491.15460	0.9
552.06268	0.6
582.18182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.7
61.98828	4.6
62.41573	0.9
69.34002	7.6
71.01386	6.8
73.02942	2.2
76.52106	0.9
85.02950	2.8
89.02445	2.6
93.03467	1.2
95.01350	0.9
96.95996	1.7
99.00893	0.9
101.02424	4.5
107.05016	10.2
108.02159	1.0
113.02434	2.7
118.09173	1.0
121.02908	1.2
130.22121	0.8
151.03987	16.5
153.05458	1.2
153.06638	0.9
157.06528	0.9
161.04541	3.4
174.01678	1.3
183.39253	0.9
185.06059	3.2
196.09741	3.7
197.10101	2.5
201.88661	1.1
212.04724	2.2
213.05528	10.0
224.04832	0.8
225.05559	1.4
230.14220	0.9
239.03496	1.5
240.04205	8.9
241.05034	99.8
242.05814	100.0
243.06061	4.3
255.06520	2.5
256.07385	50.2
257.08170	94.8
258.08530	6.0
313.05917	1.3
313.09351	14.1
313.12732	1.8
375.17282	1.2
375.76990	0.9
403.10269	2.9
404.11087	4.2
419.13416	93.4
420.13864	6.3
463.08862	1.8
581.18683	46.2
582.18915	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	581.1873
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
52.74596	0.2
59.01373	1.1
61.98824	0.7
69.19138	1.5
71.01379	0.5
79.43447	0.2
88.83092	0.2
89.02438	0.4
93.03454	0.3
93.40475	0.2
107.01344	0.2
119.03532	0.2
120.74899	0.2
121.02943	0.2
125.02470	0.1
134.03725	0.3
166.43698	0.2
172.05287	0.6
180.05792	3.4
181.06580	1.5
183.04492	0.9
193.05025	0.4
196.05275	0.6
197.06026	0.5
213.05560	1.1
214.06357	1.0
224.04776	1.2
225.05544	16.2
226.05942	0.6
227.03526	0.3
229.08693	0.3
239.07045	0.3
240.04268	0.3
241.05038	9.7
242.05771	2.2
255.06723	0.2
256.07266	0.3
257.08173	100.0
258.08505	5.3
291.19632	0.2
401.15781	0.3
419.13437	34.5
420.13782	2.6
581.18811	3.0
582.18896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.187
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
59.01367	1.8
61.98827	2.6
71.01369	2.4
71.50426	0.6
73.02962	0.4
76.77872	0.4
84.23534	0.4
85.02937	0.6
87.39637	0.4
89.02458	0.8
94.82601	0.5
96.95992	0.7
106.43850	0.4
111.00864	0.9
113.02425	1.2
115.00351	1.0
119.05017	0.8
121.02955	2.7
123.04538	0.8
125.02422	0.5
133.01411	0.5
143.04980	1.1
160.05267	0.6
163.03868	0.6
167.05019	2.1
168.05814	0.5
169.06598	2.0
175.02553	0.5
191.03397	0.7
195.04524	1.2
197.04535	2.9
211.03979	7.2
212.04770	29.2
213.05527	10.0
214.05997	0.8
223.03998	1.6
224.04652	1.7
225.05481	1.0
226.06345	1.8
227.07120	2.0
239.03474	17.0
239.07129	1.7
240.04259	27.1
241.05035	78.1
241.08922	2.1
242.05789	30.5
243.06107	1.2
253.05069	1.4
254.05899	0.5
255.06602	100.0
256.07272	16.1
257.08163	71.8
258.08508	3.9
297.07693	0.5
375.11020	0.9
403.10275	24.4
404.11038	18.1
405.11557	1.2
417.12674	0.7
418.12643	33.4
419.13419	95.8
420.13855	7.7
581.18616	4.1
582.17908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75972	0.2
57.54063	0.2
59.01374	4.4
61.98829	2.9
71.01379	3.4
71.50909	0.3
72.01726	0.6
73.02944	0.3
81.74843	0.2
85.02943	1.4
86.03236	0.3
89.02432	1.6
92.56075	0.2
93.03465	0.3
99.00878	0.3
100.63934	0.3
101.02429	1.6
109.02977	0.4
110.31109	0.3
113.02458	1.0
119.03468	0.5
119.04979	0.3
125.02451	0.4
127.07623	0.2
133.01382	0.3
161.04526	0.4
163.03896	0.3
172.05289	0.9
175.02502	0.3
180.05812	3.7
181.06543	1.5
183.04501	0.9
196.05313	0.5
197.06090	0.3
206.15692	0.3
213.05533	1.6
214.06332	0.9
224.04832	1.5
225.05563	16.3
226.05991	0.8
240.04173	0.5
241.05046	11.4
242.05826	2.4
246.55836	0.2
255.06596	0.8
256.07428	2.0
257.08179	100.0
258.08505	5.3
264.29556	0.2
377.29175	0.3
418.25143	0.5
419.13434	33.8
419.25351	1.0
420.13898	2.4
465.26608	0.3
521.33234	1.6
580.30640	1.1
581.18622	2.4
581.30676	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	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28700	0.2
59.01375	1.6
59.20694	0.3
61.98829	7.0
71.01373	0.9
85.02934	0.4
89.02443	0.5
98.19818	0.5
101.02386	0.6
102.55553	0.2
109.42387	0.2
110.78995	0.2
113.02427	0.4
121.02979	0.3
172.05258	0.8
180.05794	3.6
181.06578	1.5
183.04480	0.9
196.05316	0.8
197.06049	0.4
213.05569	1.1
214.06296	1.4
224.04797	1.8
225.05544	17.0
226.05885	0.7
227.03474	0.3
241.05042	11.0
242.05742	2.1
247.12155	0.3
257.08173	100.0
258.08490	5.5
267.69669	0.2
419.13434	37.1
420.13849	2.5
521.33417	1.3
539.34369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70217	0.6
59.01383	1.1
61.98822	2.4
63.84097	0.5
70.85653	1.1
78.95901	62.6
94.65546	0.6
96.96961	9.9
114.63235	0.6
150.98004	1.3
152.99582	100.0
171.00662	2.2
223.00096	11.3
237.91704	0.6
241.01196	24.8
247.20694	0.7
251.31233	0.6
259.02185	1.6
265.21701	64.6
266.22046	3.1
315.04846	17.4
333.05884	1.1
581.27271	80.9
582.27496	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	581.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33067	11.7
52.80161	10.5
59.01364	34.0
60.12238	10.1
61.98825	100.0
69.95464	38.4
71.01350	11.3
83.07310	9.7
98.20698	10.7
101.02464	12.7
153.15244	9.9
180.83081	9.1
197.11752	16.6
253.09229	19.8
256.50293	10.5
309.20688	39.4
401.23242	26.8
419.23953	20.1
557.66052	14.2
581.27008	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	581.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03039	7.1
52.60878	7.4
59.01372	28.7
61.98830	100.0
66.60916	6.9
69.15222	77.5
71.01366	9.9
73.02897	7.3
74.83694	7.3
83.54359	6.5
84.72922	6.5
89.02396	6.3
93.45682	7.5
98.20757	11.7
98.89326	7.3
101.02438	14.9
135.04489	14.0
149.53871	8.3
167.59740	8.4
169.48872	7.5
179.03513	16.8
253.09229	23.2
291.19659	45.9
309.20691	99.6
404.29227	7.0
465.71198	7.7
545.29456	8.8
581.27020	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43697	2.0
55.87749	1.8
59.01373	21.8
61.38898	1.8
61.98827	46.9
69.72845	9.7
71.01377	5.9
80.08498	2.1
85.02975	3.0
89.02438	3.1
98.20580	2.6
101.02467	4.0
105.58661	2.0
108.97073	2.0
113.02460	3.0
117.03499	2.9
119.05019	98.1
120.05323	3.2
123.04478	2.6
127.07672	2.8
132.49553	2.1
135.04518	3.7
145.02946	4.9
147.04539	6.1
152.35405	1.8
153.05609	2.9
163.04001	100.0
164.04294	2.8
165.38159	1.9
177.05524	2.2
253.09262	5.1
291.19733	10.8
309.20685	42.8
310.20996	3.1
314.10593	2.0
315.06573	2.4
343.06116	2.7
345.07806	2.4
359.09259	5.6
402.10809	2.7
417.13638	9.9
446.11963	3.1
494.41162	1.9
545.29614	28.2
581.18030	2.5
581.27441	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	78.1
60.46458	7.6
61.98828	100.0
71.01364	27.3
71.50382	15.5
85.02939	10.7
89.02408	9.8
90.91183	8.9
97.61878	8.6
101.02410	10.6
109.56979	10.8
113.02426	12.7
119.05025	11.9
123.04526	9.1
134.03749	14.1
135.02934	11.4
135.34073	8.5
145.02815	9.2
149.02539	11.4
153.05605	11.8
161.04498	9.2
177.01956	20.1
193.05058	11.8
209.15434	16.5
223.24026	9.3
226.06302	18.1
232.25571	8.2
253.09256	48.5
291.19696	19.2
306.30463	9.7
309.20737	62.2
361.07251	14.2
401.13943	21.1
418.07080	17.1
419.07736	19.2
431.59375	9.0
504.71216	10.7
581.13861	35.1
581.27899	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	581.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98679	2.1
56.45022	2.6
61.98827	5.4
63.01994	2.2
65.31472	2.5
65.90590	2.8
69.14170	17.9
69.14591	8.9
71.01378	5.3
78.98565	7.4
79.95716	7.4
80.96510	58.5
85.02937	5.2
90.23319	2.5
94.98079	14.9
96.95988	2.9
98.19942	5.9
122.97571	4.9
134.97556	3.1
148.99120	5.0
152.98611	6.8
164.98608	11.8
225.00671	14.6
243.01476	2.6
259.61871	2.9
277.21802	5.8
281.25021	2.6
388.14172	2.7
539.22717	3.0
581.29913	100.0
582.30591	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	581.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95875	27.7
80.96497	24.4
82.96120	42.8
96.96011	50.2
112.70674	21.6
118.05364	20.3
123.04498	28.5
137.09671	22.6
225.00845	21.3
255.23259	26.2
282.25485	26.3
394.24612	24.0
581.28418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2999
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
51.19085	0.6
58.69252	0.5
59.01370	1.0
63.96226	1.2
69.03405	0.5
69.40399	4.1
71.01378	7.1
73.02921	1.6
78.98589	5.4
79.95728	9.7
80.96511	61.7
85.02935	2.7
87.00869	2.6
92.04967	0.5
94.98081	14.3
96.96015	2.3
97.02943	1.1
101.02430	2.7
106.98078	3.2
110.74765	0.5
122.97581	3.0
125.02441	1.8
127.04028	0.7
134.97592	5.3
136.99130	1.5
137.02496	0.6
140.84332	0.5
148.99101	4.8
152.98613	5.6
164.98618	9.9
168.93378	0.6
206.99658	2.3
225.00734	12.6
277.21829	0.6
278.21967	0.6
281.24896	2.8
291.19403	0.6
299.04489	2.9
409.75879	0.5
581.29938	100.0
582.30170	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	581.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
61.98578	0.6
61.98829	6.3
63.96226	1.2
65.12988	0.7
69.47388	1.7
69.47788	4.2
71.01376	7.5
73.02937	1.3
78.95921	3.7
78.98596	4.9
79.95733	9.5
80.96513	61.4
85.02938	1.8
87.00845	1.8
94.97486	1.2
94.98081	15.0
96.96008	11.4
97.02940	1.3
101.02426	2.4
106.98071	2.8
113.92620	0.8
114.93421	1.5
122.97559	4.9
125.02425	2.5
127.04008	1.2
134.97591	4.3
136.99094	1.2
146.97539	0.9
148.99168	6.1
152.98587	6.7
152.99619	1.2
154.90520	0.7
164.98628	10.3
178.90636	1.0
182.99635	1.6
194.90019	1.5
194.91690	0.8
206.99722	3.4
224.98679	1.3
225.00737	14.5
243.01772	1.9
255.23296	4.6
281.24789	3.4
299.04321	2.5
422.30927	0.9
470.21939	0.8
483.27213	3.2
581.29926	100.0
582.30200	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.28084	0.3
63.96244	1.2
69.03423	0.4
70.36234	1.2
71.01375	5.9
73.02940	2.0
76.06911	0.3
78.98595	5.2
79.95737	7.6
80.96517	59.5
81.03435	1.0
85.02956	2.1
87.00879	2.3
94.98087	13.2
94.98693	0.8
96.96015	1.1
97.02925	1.8
99.00861	0.4
101.02446	1.7
106.98089	2.9
113.02467	0.5
114.82159	0.3
122.97594	3.9
125.02460	2.8
127.03973	0.4
134.97581	3.7
136.99144	1.1
146.97662	0.4
148.99127	4.8
152.98634	6.1
164.98607	10.0
179.00221	0.3
182.99643	2.3
206.99652	2.5
225.00720	14.9
226.01138	0.5
243.01814	1.3
246.68227	0.4
265.85098	0.4
281.24908	3.6
283.26392	1.5
299.04449	2.7
508.34198	0.9
581.29974	100.0
582.30377	8.5
598.12122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89603	0.1
57.91864	0.1
59.01366	0.3
61.98826	100.0
62.98520	0.1
66.59120	0.1
69.26745	0.2
69.27169	0.8
71.01369	0.2
78.95905	0.4
79.45755	0.1
80.96522	0.4
80.98168	0.2
81.95320	0.2
82.96098	1.4
82.96910	0.2
84.96515	0.2
93.31323	0.1
96.97659	0.3
97.02898	0.1
98.19821	0.2
99.92560	1.2
122.88828	0.1
125.02405	0.1
152.99564	0.5
166.98068	0.2
187.78294	0.1
197.55956	0.1
204.35928	0.1
227.00421	0.2
235.10429	0.1
271.18976	0.1
279.23285	2.2
280.23642	0.8
281.23837	0.5
282.24149	0.4
289.25793	0.1
392.22070	0.1
504.30878	0.9
507.31641	0.4
581.08929	0.8
581.27167	4.1
582.27386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65304	1.1
59.01378	64.9
60.85472	1.0
61.98820	4.2
63.96251	1.4
71.01357	4.4
71.50517	1.3
78.95894	1.4
78.98589	2.6
79.95732	5.3
80.96512	35.6
85.02945	1.2
94.98087	10.2
96.96004	3.1
97.02957	1.1
101.02464	2.7
106.98087	1.5
116.92873	1.6
125.02435	1.9
134.97528	1.9
148.99121	2.2
152.98579	2.3
164.98642	6.0
165.35715	1.1
206.99541	1.0
225.00735	9.6
253.21709	100.0
254.21935	6.4
255.23253	1.4
269.24844	1.3
281.24741	1.6
282.94400	1.1
283.26376	2.7
299.04227	1.3
331.18716	1.2
508.34088	1.9
581.29932	62.9
582.30457	6.5
603.95685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60725	5.2
55.87074	5.3
59.01379	38.2
60.16989	6.6
61.98827	39.0
70.62064	5.0
71.01386	23.6
73.78426	5.7
81.86998	6.0
83.01391	6.0
85.02962	6.4
89.02451	11.9
98.20656	15.4
100.65677	5.3
101.02460	13.2
113.02435	7.6
134.37950	5.4
165.05548	5.2
167.03513	6.6
209.04604	9.2
218.94963	6.1
232.65942	5.5
255.03040	7.5
257.07950	6.3
329.00018	5.8
341.10291	24.4
371.11215	16.9
377.22006	6.3
419.22748	7.8
521.33179	100.0
581.18964	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	581.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25918	0.8
59.01380	1.3
61.98842	8.0
69.20055	0.8
69.67287	4.0
79.70822	1.2
81.58616	0.7
113.35531	0.8
130.96864	0.8
140.39708	0.8
230.14525	0.9
279.23285	100.0
280.23590	5.7
296.29382	0.8
369.45490	0.8
369.62958	1.0
387.80917	0.9
491.52890	1.0
581.45538	47.8
582.46082	5.8
600.58099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98825	100.0
62.68254	0.2
65.24213	0.2
69.19024	0.5
69.19415	2.6
71.01395	0.4
75.00883	0.4
98.20698	0.4
100.79300	0.2
101.02451	0.3
188.04807	0.3
196.53691	0.3
216.98282	0.3
278.65771	0.3
427.85123	0.3
477.10217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98825	100.0
62.68254	0.2
65.24213	0.2
69.19024	0.5
69.19415	2.6
71.01395	0.4
75.00883	0.4
98.20698	0.4
100.79300	0.2
101.02451	0.3
188.04807	0.3
196.53691	0.3
216.98282	0.3
278.65771	0.3
427.85123	0.3
477.10217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
59.74447	0.4
60.38449	0.4
61.98829	100.0
71.01382	0.6
73.02960	0.4
125.52052	0.4
241.05008	0.5
526.79865	0.4
537.66821	0.4
549.32080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98827	100.0
63.88997	0.2
69.65491	1.3
70.83443	0.2
92.45950	0.2
93.03477	0.7
119.04955	0.2
128.95528	0.2
161.02467	0.3
163.00383	0.3
169.06505	0.2
171.04543	0.3
172.52513	0.2
183.04555	0.2
189.07550	0.2
190.96964	0.2
195.04491	0.2
199.03882	0.3
211.03925	1.0
213.05646	0.3
214.02721	0.5
227.03496	0.7
228.04230	0.3
239.03490	0.4
241.05170	0.3
242.02174	2.5
243.02950	0.8
246.71207	0.2
255.02979	6.8
256.03696	1.0
257.04459	1.2
269.04532	0.5
270.01654	0.8
271.02454	0.4
283.02524	2.0
284.03110	1.1
321.07498	0.4
327.05170	0.3
333.07813	0.7
347.05087	0.3
348.06311	3.1
349.07120	8.3
363.08804	3.2
376.05887	0.4
377.01895	0.3
377.06653	5.6
391.08218	2.4
392.08954	1.5
405.06104	2.4
406.06747	0.8
420.08511	9.7
421.09250	1.3
466.03870	0.2
489.10718	0.3
493.08005	0.2
583.14514	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1091
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
51.76234	0.7
59.01376	4.7
61.98837	3.7
68.04387	0.6
69.72073	3.1
69.72479	1.7
71.01385	2.6
83.01376	0.8
89.02461	1.2
93.03458	1.0
95.05008	0.8
98.02481	1.1
101.02419	1.4
108.02142	1.1
120.00533	0.6
123.04485	1.1
125.02337	0.7
132.02185	1.2
137.02397	1.0
143.05011	1.2
145.02939	1.4
146.03732	1.2
147.04474	1.8
149.02446	4.4
151.03986	1.1
163.03958	1.5
168.10251	0.9
169.02948	2.2
171.04495	6.0
173.02397	2.6
175.03990	2.4
177.01921	3.1
185.02379	1.9
185.11716	1.7
186.11348	3.2
187.04056	1.4
191.03444	2.9
193.05025	0.9
197.02422	3.9
199.04018	3.2
201.01868	1.3
213.01877	3.1
214.02695	3.7
215.03494	34.1
216.03857	3.9
219.02940	1.3
225.01990	1.0
227.03510	4.3
229.01366	1.5
230.02234	2.4
241.01398	10.4
242.02190	6.3
243.02968	63.2
244.03235	1.9
254.02246	1.1
255.02974	10.2
258.01642	4.4
259.02386	2.4
269.00925	20.5
270.01471	1.9
270.13425	4.1
271.02463	4.3
271.13776	1.6
273.00201	1.3
283.02386	4.1
287.01837	1.0
331.06094	0.9
348.06088	1.0
349.06958	0.9
363.05017	1.3
375.04901	2.3
390.16327	1.2
391.16541	2.0
392.05429	5.0
393.05789	2.2
403.04333	1.8
420.04749	3.4
421.05545	1.8
435.09555	1.8
463.08786	4.0
555.11407	8.0
583.10864	100.0
583.21582	5.0
584.11133	11.5
609.75549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65194	0.6
59.01377	6.2
61.98830	10.8
71.01389	5.0
74.02467	0.8
74.10477	0.7
75.00872	1.2
85.02943	1.7
85.49564	0.7
87.00864	1.4
89.02449	2.0
89.49561	0.7
93.03450	1.5
95.01354	0.9
98.02470	0.7
98.20667	1.5
99.08144	0.9
101.02439	2.3
108.02181	1.3
108.08210	1.0
113.02460	1.8
115.00381	1.9
119.03495	0.9
119.05045	1.1
121.02963	2.2
123.04488	1.4
127.07639	1.8
128.03517	2.9
129.05533	0.6
132.02184	1.3
133.03008	1.0
137.02498	0.7
143.05035	1.0
145.02969	0.9
146.03751	0.6
147.04507	0.9
149.02397	4.0
150.03194	0.6
151.00366	0.7
153.05579	2.2
161.02577	0.9
161.04527	1.0
163.04063	1.0
165.05632	0.9
169.02969	1.2
171.04530	4.9
173.02434	1.6
174.03128	0.9
175.03984	1.5
177.01895	3.1
183.04474	0.8
185.02409	2.1
186.11343	1.9
187.04021	1.7
191.03513	4.1
195.06570	0.7
196.06093	1.1
197.02403	2.5
198.03215	1.8
199.04070	3.4
201.01976	1.3
202.02678	0.8
213.01949	3.5
214.02690	3.5
215.03500	30.6
216.04178	1.5
217.15186	0.6
219.02959	0.9
225.01865	1.2
226.02620	0.7
226.99966	1.2
227.03526	4.2
229.01448	1.1
230.02187	2.7
235.14442	0.9
239.03471	0.8
241.01425	9.9
242.02298	4.2
243.02975	45.6
244.03438	2.2
244.07465	0.8
254.02150	1.5
255.02975	10.0
257.08258	1.0
258.01721	4.3
259.02493	2.5
259.09656	1.4
269.00897	17.0
270.01678	3.3
271.02481	7.3
279.13593	1.3
283.02286	3.4
284.03207	0.9
285.00507	0.8
287.02054	1.6
297.14343	3.5
299.02173	1.0
301.05176	0.8
315.15646	11.9
318.05399	0.8
319.06082	2.0
329.04547	1.1
331.06076	1.0
345.03979	1.0
346.04889	1.1
347.05554	3.7
348.06393	1.4
358.11456	2.2
375.05142	6.6
383.10083	0.8
392.05270	4.9
393.06094	1.7
420.04828	14.3
421.05539	8.5
435.09564	1.5
435.18567	1.4
463.08646	2.9
506.88242	0.7
555.11493	8.1
583.10931	100.0
583.24463	8.2
584.11298	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	583.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98824	16.9
65.32602	2.9
69.56573	17.3
71.01014	4.1
71.01384	60.0
72.99306	6.5
73.02919	3.7
85.02929	4.6
96.99286	4.6
101.02455	4.8
105.03431	2.9
113.02443	4.6
115.00362	100.0
115.04082	2.9
117.03495	3.2
119.05020	11.3
121.02935	8.9
122.03742	12.4
123.03636	4.6
123.04517	80.0
133.01424	8.9
137.06082	16.6
145.02913	12.0
161.04488	3.9
163.03987	12.5
178.56453	2.5
180.38145	2.7
230.53807	2.8
259.07010	4.2
259.09695	58.7
277.05392	3.3
279.05029	5.4
285.09784	3.6
360.57281	2.6
383.05191	4.9
383.09845	72.8
383.14709	5.2
383.25818	2.6
384.10294	3.3
401.10849	67.7
402.11288	3.3
421.15109	19.5
479.24771	3.3
510.08768	2.8
546.36206	3.3
547.14630	16.5
583.10889	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	583.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18561	2.5
52.68447	2.5
57.94208	2.3
59.01375	9.2
61.98832	22.6
71.01012	5.3
71.01385	63.7
71.50830	4.0
72.99306	8.8
81.03500	2.9
96.21543	2.7
96.31422	3.0
96.99313	7.4
101.02435	5.3
107.65923	2.8
109.34185	2.8
110.47121	2.5
111.00916	3.5
113.02433	5.0
114.99564	5.9
115.00378	100.0
117.03458	4.0
119.05039	13.3
121.02950	10.2
122.03718	12.7
123.04531	82.8
125.02479	4.8
133.01422	9.7
137.02434	6.8
137.06087	21.2
145.02933	10.4
161.04507	4.8
163.03975	11.8
259.09753	76.4
260.10001	5.4
277.05551	3.2
279.05176	4.1
280.35681	2.5
357.82834	2.5
383.09845	79.1
401.10904	68.0
402.11221	4.3
417.03552	2.8
417.81335	2.7
421.15045	21.9
479.24945	4.4
544.12506	3.0
547.14563	17.4
583.10968	11.0
583.19403	3.5
600.67242	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	583.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99384	0.3
59.01385	0.4
59.15112	0.3
61.98828	28.2
63.02381	0.4
65.00327	0.4
70.91711	0.5
93.03469	1.8
107.01418	0.4
108.02183	0.4
109.02954	1.2
111.42033	0.4
132.02159	0.4
143.04982	0.4
145.02965	0.9
155.04939	0.4
161.02440	0.4
163.00354	0.9
167.04955	0.4
169.06552	0.8
171.04536	1.1
183.04430	0.5
187.03860	0.6
198.03145	0.3
199.04033	0.8
200.04723	0.4
204.74307	0.3
211.03995	2.9
213.01923	0.6
213.05530	1.3
214.02736	0.8
226.02794	0.6
227.03496	2.2
228.04332	0.6
229.05133	0.6
239.03452	1.7
240.04117	0.4
241.05032	0.9
242.02158	8.9
243.02983	2.7
251.12463	0.3
255.02965	21.4
256.03696	3.6
257.04541	4.6
259.06085	0.3
267.03030	0.7
269.04501	1.4
270.01682	1.9
271.02393	1.6
277.08774	0.4
283.02469	5.1
284.03241	4.2
285.04007	0.5
297.03976	0.5
305.08365	0.5
313.03391	0.5
321.07605	1.4
327.05115	1.0
331.06052	0.5
332.06931	0.4
333.07635	1.7
336.54788	0.4
347.05698	0.9
348.06351	8.6
349.07156	25.4
350.07462	1.8
363.08719	9.7
364.09180	1.1
376.05807	1.4
377.06631	17.9
378.06998	0.9
391.08237	7.2
392.08875	5.6
402.07150	0.5
405.06134	6.3
406.06970	3.1
419.07602	0.6
420.08481	30.1
421.09253	5.0
424.07709	0.7
489.10272	0.5
583.14520	100.0
584.14850	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	583.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.5
61.98821	0.3
67.16788	0.3
76.85467	0.3
81.03431	0.8
93.03455	0.7
95.05025	0.6
107.04993	0.3
109.02945	6.7
109.06577	4.9
109.90386	0.3
119.05015	4.9
121.02953	6.8
122.03761	1.5
126.71657	0.3
131.21320	0.3
135.04509	6.2
137.06073	28.2
138.06453	0.7
145.02911	0.8
159.04556	0.3
165.05489	0.5
181.05048	100.0
182.05363	2.8
197.06035	0.3
225.05537	0.8
226.06424	0.3
249.05632	0.7
263.93326	0.3
287.10837	0.3
299.10687	0.4
301.08569	0.3
315.10178	0.8
325.08774	0.3
326.08969	0.3
327.10202	0.4
342.08929	0.5
343.09668	3.1
354.09097	0.4
354.14194	0.3
355.09552	0.3
371.09180	11.2
372.09579	1.1
372.16321	0.3
386.11551	6.8
387.11993	0.6
401.13922	7.7
402.14383	0.8
417.13290	0.6
544.25189	0.3
554.02124	0.3
583.19672	0.6
601.43433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05315	0.4
59.01073	0.7
59.01376	12.9
61.98823	0.7
62.17593	0.4
74.25742	0.4
81.03471	0.5
93.03473	0.9
95.05053	1.2
107.05006	0.5
109.02949	6.5
109.06605	3.4
119.05032	4.5
121.02956	5.9
122.03737	1.4
135.04536	6.6
136.04768	0.4
137.06084	27.6
138.06448	0.7
179.03485	0.8
181.05064	100.0
182.05376	3.1
201.05925	0.4
281.65622	0.5
299.10754	0.5
308.68210	0.5
315.10355	0.8
327.10208	0.5
343.09698	4.0
354.08710	0.7
355.09720	0.9
371.09225	4.5
372.09390	0.6
385.10959	1.1
386.11569	6.9
387.12256	0.9
401.13962	7.8
402.14148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.98831	1.9
78.75308	0.4
89.36770	0.4
92.41209	0.4
92.76273	0.4
93.03442	1.0
99.87213	0.5
110.43896	0.4
119.05019	0.5
121.06618	1.3
123.33595	0.5
145.02960	1.5
159.04507	1.3
163.03969	0.5
165.05562	15.2
183.61063	0.4
206.07733	0.4
211.04085	0.9
212.04811	1.8
213.05495	2.8
226.02690	0.8
227.03487	0.6
237.05565	3.7
240.04283	1.9
241.02934	0.4
241.05020	2.6
249.05453	0.7
251.07085	0.6
265.05017	3.1
266.05841	0.8
278.05817	2.1
279.06674	0.7
310.04483	0.4
313.08957	0.5
315.06726	0.6
315.10129	0.9
316.07187	0.7
317.08215	0.7
327.06512	0.6
329.08282	0.7
330.08990	0.7
331.09732	2.3
341.08255	1.6
342.09045	0.5
343.06073	0.7
344.06848	1.3
345.07352	0.7
357.07513	1.0
358.08612	1.5
359.09241	13.8
360.09796	0.6
369.07581	1.3
370.08395	1.3
371.09424	0.6
373.10715	1.9
386.08130	0.6
387.08698	31.6
388.09039	2.6
401.10184	4.0
402.11050	49.7
403.11353	3.7
417.13422	100.0
418.13770	8.3
424.15140	0.4
431.74020	0.5
521.19427	0.5
583.19452	0.8
583.39233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	58.5
59.52900	0.9
69.42944	7.0
69.46315	1.0
71.01397	2.3
78.95901	100.0
96.96974	5.1
97.45817	0.9
98.19870	1.7
99.92577	10.7
100.93356	5.2
101.74259	1.0
115.92068	40.3
116.92856	29.0
117.92857	1.0
118.32953	1.1
119.86903	0.9
120.97002	1.0
127.09629	0.9
142.94409	1.2
150.98009	5.0
152.99580	34.4
155.95200	1.5
163.89725	2.2
164.90440	1.7
171.00580	6.8
172.95490	9.9
178.88414	19.7
179.89209	31.9
180.89996	21.7
181.90776	1.4
189.91277	0.9
194.87878	3.3
196.89471	34.6
197.89459	1.5
204.90016	1.3
205.90681	5.1
206.91505	3.3
208.89330	1.2
217.90872	1.0
218.91505	1.2
219.92354	2.6
221.90477	0.9
223.31340	1.0
223.85750	1.1
234.91153	1.7
235.91785	7.1
236.92578	23.9
237.92783	1.4
252.92125	3.6
255.23230	9.9
270.93127	2.6
277.21692	19.4
278.93713	3.0
308.94409	1.2
309.95367	1.4
311.91714	0.9
324.16623	1.3
326.95657	1.4
355.15671	1.2
409.23679	1.7
475.15521	11.1
492.15665	6.9
517.16528	1.7
535.17834	6.5
547.17792	5.5
583.19788	88.1
584.19995	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	583.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87999	1.2
61.98820	2.2
63.29272	1.2
66.35718	1.0
68.99555	3.0
69.01604	1.3
69.75126	6.4
78.95898	65.6
88.98840	1.4
96.96944	9.8
98.19952	1.3
112.98563	2.9
116.92925	1.4
152.99576	99.6
160.89264	1.5
171.00615	3.1
223.00124	9.8
241.01147	23.8
259.02258	2.1
267.23260	75.3
268.23672	2.9
304.46210	1.3
315.04843	16.8
326.04471	1.4
333.06024	2.3
476.25723	1.3
583.28888	100.0
584.20959	2.0
584.28888	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	583.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03438	1.3
58.00591	1.1
59.01376	29.5
60.58143	0.6
61.98829	59.7
64.98648	0.6
71.01382	20.7
72.99301	1.3
73.02953	3.7
83.01376	2.2
85.02953	6.6
87.00849	0.9
89.02443	11.0
95.01369	1.2
98.20683	2.1
99.00870	1.3
101.02437	12.5
111.00874	1.2
113.02457	5.6
119.03498	3.2
121.55962	0.5
149.02438	0.7
150.03217	1.9
159.02960	0.6
159.48528	0.5
161.04546	1.1
165.05585	1.7
195.06564	0.9
213.18556	0.8
213.97557	0.6
227.06377	0.7
229.55476	0.9
240.55824	0.6
257.08191	3.8
258.08466	2.6
259.08829	1.9
259.19092	2.4
403.04639	1.2
403.23395	3.0
417.24768	0.7
421.05597	2.1
421.14017	2.0
421.24377	21.0
422.24649	1.5
523.34784	14.0
535.19415	1.3
565.28717	1.1
583.29663	100.0
584.30011	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	583.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66836	0.6
55.01866	1.2
57.03448	1.0
58.00584	1.0
58.62591	0.6
59.01376	23.1
61.98827	59.3
69.50784	3.9
71.01377	18.5
72.99316	1.5
73.02953	2.9
81.90222	0.5
83.01376	3.0
85.02950	5.9
86.00095	0.7
87.00872	1.6
89.02447	9.5
93.03436	1.0
95.01389	1.6
99.00890	0.8
100.42024	0.6
101.02437	10.9
113.02441	5.7
119.03491	3.0
119.04996	0.5
125.02456	0.8
137.02423	0.8
149.02495	0.7
150.03223	1.7
151.00360	1.1
152.01147	0.8
153.05577	0.6
161.02484	0.6
161.04494	0.9
165.05562	1.8
175.03990	1.3
195.06613	2.2
195.17677	0.6
198.94681	0.6
199.03944	0.6
213.18631	1.1
242.05861	0.6
244.70502	0.6
257.08197	5.2
258.08493	1.7
259.08829	1.8
259.19128	2.0
269.04651	1.1
283.13391	1.2
311.13010	2.4
315.08878	0.7
318.72119	0.7
329.14050	1.6
403.18219	1.1
403.23398	3.5
405.24783	0.6
420.04694	1.2
421.05551	6.8
421.14212	1.1
421.24417	18.9
422.05969	0.9
422.24673	1.4
454.66245	0.6
523.35004	1.9
565.22925	1.2
583.29828	100.0
584.30243	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	583.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03421	1.9
59.01377	29.0
61.98827	58.5
71.01378	20.6
72.99287	0.8
73.02952	3.9
75.39653	0.6
83.01376	2.3
85.02947	6.9
87.00863	2.3
89.02440	10.8
95.01390	1.5
97.57567	0.7
99.00880	1.6
101.02435	14.6
111.00851	1.2
113.02453	7.2
119.03516	4.2
121.02984	0.8
123.04508	1.2
127.07708	0.8
150.03163	1.2
153.05537	0.9
161.04480	1.1
165.05530	1.4
174.01666	0.7
195.06577	0.8
213.18503	1.0
225.05463	1.5
226.05943	1.1
227.06035	0.8
257.08182	7.5
258.08472	6.2
258.11060	0.9
259.08746	5.8
259.19131	2.4
361.29456	1.6
403.23334	2.7
419.13312	0.9
420.13855	0.8
421.05438	1.2
421.14685	4.4
421.24377	22.2
422.24554	0.9
432.93430	0.6
523.34814	17.1
524.35327	1.1
535.19177	1.0
583.29663	100.0
584.30139	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	583.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76127	16.3
53.01029	16.1
61.98823	25.7
64.68222	15.5
69.70917	100.0
75.86717	17.1
78.95901	16.1
85.79066	16.2
86.76851	18.2
98.20609	29.5
157.23265	16.9
168.89516	16.4
279.23355	19.4
343.42673	15.8
526.45367	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43882	1.0
59.01372	1.7
61.13895	1.2
61.98827	9.5
69.55589	7.4
71.01376	8.3
73.02940	1.7
76.56866	1.3
78.98586	5.4
79.95728	11.4
80.96513	72.5
85.02946	3.9
87.00862	3.0
87.31269	1.2
94.98074	16.3
97.02921	1.5
101.02441	2.9
106.98077	4.2
109.07908	1.3
122.36195	1.1
122.97553	2.8
125.02450	2.6
134.97562	3.7
136.99121	1.5
148.99135	6.5
152.98610	5.5
164.98601	9.8
206.99663	2.4
225.00710	15.0
283.26373	1.7
299.04391	3.8
306.92105	1.2
394.05801	1.6
583.31543	100.0
584.31830	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	583.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	61.2
61.98819	2.3
71.01363	2.5
71.50435	1.7
73.02963	1.4
75.89964	1.0
78.98565	1.6
79.95746	3.0
80.96511	23.9
87.00858	1.5
94.98093	5.5
98.22353	1.1
106.98082	1.2
113.78328	1.1
117.35822	1.1
123.04512	2.2
125.02480	1.2
148.99123	1.8
151.29381	1.3
152.98575	2.4
161.04572	1.7
164.98610	2.7
167.02428	1.4
225.00710	4.2
243.15439	1.0
255.23282	100.0
256.23572	3.4
289.18057	2.6
299.04382	1.6
417.28418	1.3
583.31549	37.2
583.41040	2.1
584.31873	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	583.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36004	0.8
59.01379	100.0
61.98833	6.7
65.57538	0.9
71.01336	1.2
71.50430	1.2
78.95895	3.2
80.96517	2.0
82.96106	1.4
95.05035	3.5
96.97656	1.3
115.92062	1.1
116.92876	1.5
123.04524	59.2
124.04857	1.7
149.02431	1.0
152.99625	1.4
170.94283	1.1
179.89186	1.4
187.41449	1.2
196.89526	1.7
253.21581	1.0
255.23180	2.3
307.79590	1.1
583.20117	2.4
583.30212	5.1
583.42120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54332	0.5
55.01867	1.6
57.03447	1.7
58.00586	1.2
59.01070	1.0
59.01377	34.3
61.98827	76.1
69.21847	5.5
71.01376	23.4
72.99327	1.2
73.02945	3.9
74.78631	0.6
75.00877	0.7
79.51321	0.6
83.01379	2.6
84.75900	0.6
85.02959	7.1
86.00073	0.9
87.00869	1.7
89.02438	12.4
95.01368	1.9
97.97152	0.7
99.00863	1.9
101.02441	16.0
113.02443	8.7
119.03495	3.7
123.04480	0.8
131.03517	0.8
143.03502	0.7
149.02422	0.7
150.03203	2.1
153.05498	0.8
161.04558	1.5
165.05542	2.3
166.65141	0.6
195.06604	1.2
213.18440	0.8
240.25468	0.6
257.08307	3.2
258.08484	2.1
259.08716	1.3
259.19095	2.6
274.95328	0.7
345.17130	0.7
361.29639	0.8
387.14456	0.8
403.04587	1.4
403.18530	0.6
403.23163	3.1
420.13464	0.8
421.05621	1.6
421.13971	0.8
421.24387	22.7
422.24637	2.3
523.34845	16.5
524.35443	1.3
535.19391	1.3
553.21204	1.0
565.28925	1.1
583.29675	100.0
584.29993	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	584.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01376	2.1
61.98822	4.5
63.80962	0.4
63.99271	0.3
70.69633	1.0
71.01369	0.7
76.56804	0.3
82.02978	19.1
85.02941	0.9
99.08152	6.0
100.04041	5.5
101.02431	0.4
123.04524	8.5
127.07635	5.3
129.05586	3.2
144.03018	100.0
145.03362	1.4
153.05591	1.7
158.04614	0.7
171.06589	0.7
186.04033	2.3
189.07634	0.5
216.04962	0.5
246.06168	0.5
316.10306	4.2
321.05234	0.4
357.45227	0.4
466.66364	0.4
478.15958	0.5
584.19775	48.0
585.19989	4.1
595.71027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74927	0.2
59.01376	3.9
61.98825	100.0
63.99256	0.4
69.21143	2.2
71.01380	2.3
73.02927	0.3
83.01404	0.4
83.51361	0.2
85.02952	0.9
87.00874	0.4
89.02444	1.0
93.03519	0.3
98.20677	0.5
99.08160	0.4
101.02435	1.4
102.02719	0.3
107.04992	0.3
109.76508	0.2
113.02436	0.8
119.03489	0.4
119.05042	0.5
123.04504	1.0
127.07642	0.6
129.05600	0.3
135.49132	0.3
153.05537	0.6
161.04463	0.3
163.03995	0.5
200.40182	0.2
211.13324	0.5
255.11411	0.7
259.13306	1.0
277.14294	0.3
356.52365	0.3
402.92609	0.3
421.24365	0.6
422.24527	1.8
524.34851	0.3
542.57794	0.3
561.49768	0.3
584.29932	11.2
585.23914	0.4
601.85211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48168	0.2
55.89091	0.2
56.99721	0.1
57.01415	0.2
59.01365	0.2
61.98827	100.0
67.66179	0.2
89.31895	0.2
98.19891	0.5
138.92726	0.2
187.91364	0.2
276.90878	0.2
293.13904	0.2
310.04828	0.2
396.68680	0.2
531.31396	0.2
584.13373	0.6
584.30157	0.3
585.86780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95478	0.8
55.46320	0.7
59.01374	13.7
61.98827	9.0
70.98242	1.6
78.95898	72.6
90.32680	0.8
96.96950	14.4
123.04469	2.0
134.98532	0.9
143.10727	1.1
152.99574	61.7
171.10187	3.9
223.00081	1.8
241.01157	29.4
253.18890	0.8
269.24826	71.8
270.25131	3.4
277.21692	2.4
279.23254	3.1
307.09467	1.1
315.04822	10.7
405.23895	5.4
423.25192	1.1
542.39868	0.8
585.30414	100.0
586.30774	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	585.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52231	0.3
54.84341	0.3
59.01367	3.0
61.98827	100.0
70.98283	0.5
70.98595	0.4
78.95898	7.3
87.58095	0.3
96.96975	1.1
101.07754	0.3
102.15835	0.3
110.43605	0.3
119.05067	0.6
130.54445	0.3
152.99586	7.2
163.04059	0.4
167.04469	0.4
183.11247	0.3
184.35028	0.4
233.17192	0.3
241.01176	2.6
269.24835	7.0
270.25189	0.4
277.21762	1.1
283.26514	1.4
284.26764	0.4
291.84128	0.4
315.04782	0.4
371.94620	0.4
508.34451	1.4
585.21222	0.8
585.30328	9.9
586.31012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
58.02964	2.4
59.01356	1.2
61.98805	2.0
62.02180	0.9
71.68694	0.9
73.04078	6.6
74.02461	1.2
82.03014	1.0
82.06592	1.5
84.04530	4.5
87.05631	12.4
88.04080	0.9
96.36196	0.9
97.04044	2.6
98.02470	3.1
98.62454	0.8
99.32005	0.8
102.05601	40.5
103.05977	0.9
111.23470	1.0
115.05132	17.6
115.27063	0.9
119.05002	1.4
125.07195	1.0
126.06726	13.4
128.03531	98.8
129.10347	4.8
130.08733	24.5
139.08722	1.6
140.07172	6.1
144.02998	1.3
144.07779	9.5
146.04573	33.4
153.10275	2.5
154.12358	1.4
155.11868	5.8
163.03963	1.2
165.04498	0.9
165.10315	1.3
167.11862	1.4
168.07761	21.6
171.15012	5.7
182.12904	3.0
183.11273	1.9
186.07172	1.0
186.08812	16.9
186.97812	1.0
199.18161	2.1
200.13919	1.1
207.14911	1.6
208.13408	3.0
212.14029	1.0
215.13998	4.5
224.17683	1.2
225.16000	3.6
230.11485	1.0
238.15471	1.2
243.17091	2.5
252.20709	2.2
254.15161	1.4
259.13162	1.0
268.20337	1.3
270.21826	6.8
280.97165	1.0
284.23407	1.2
313.22351	1.4
314.20737	2.5
327.23901	1.6
328.22375	2.1
339.23822	1.0
399.25986	6.3
413.24008	35.4
413.29547	1.7
414.24301	2.6
439.25574	2.5
457.26605	15.9
458.26758	1.2
498.29355	3.2
542.28259	73.5
543.28235	5.8
568.29950	2.4
586.30835	100.0
587.31512	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	586.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26933	2.2
59.01365	5.7
61.29298	2.2
61.98826	100.0
78.95895	22.4
80.96284	2.1
87.93501	2.1
92.38119	2.0
96.96984	2.1
98.19904	5.7
116.92106	2.7
117.03420	2.8
117.91843	4.6
129.54004	2.2
142.20831	2.6
145.02914	6.3
152.99571	9.9
153.55539	2.1
153.99968	2.5
179.89301	2.7
197.89609	3.5
198.89310	2.4
238.92584	2.4
255.23187	6.0
256.23511	2.6
269.24820	2.3
270.25369	2.8
319.34000	2.3
362.92868	2.2
483.26953	4.0
485.27576	2.8
539.83185	2.6
586.20160	20.3
586.29614	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	586.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15808	0.2
59.01379	1.4
61.98829	100.0
63.55021	0.2
69.39867	0.4
69.40273	1.1
71.01379	0.5
92.59695	0.2
101.02399	0.3
109.42200	0.2
115.00349	0.2
123.04552	0.2
127.07683	0.4
141.82489	0.2
151.04082	0.2
167.96295	0.2
171.06596	0.3
215.01337	0.2
244.52466	0.2
259.13361	0.4
260.13782	0.5
277.14371	0.2
278.14761	0.2
284.81833	0.2
386.15515	0.2
479.17505	0.2
528.72040	0.2
586.25861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58863	0.2
59.01373	1.6
61.98830	100.0
63.99264	0.3
71.01394	0.7
71.66841	0.2
83.75352	0.2
83.88671	0.2
87.74303	0.3
89.02468	0.4
98.19868	0.5
99.08197	0.3
111.31261	0.2
115.00349	0.3
122.03741	0.3
123.04530	0.3
127.07682	0.5
128.94572	0.2
156.59207	0.2
171.06596	0.3
181.44867	0.2
193.05432	0.2
259.13467	0.8
260.13654	1.1
314.14859	0.3
410.94211	0.3
419.56531	0.3
568.24768	0.6
583.60944	0.3
586.25549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03439	0.5
58.00567	1.4
59.01377	27.4
61.98804	0.5
67.23777	0.4
68.39259	0.5
71.01376	16.5
72.99311	1.4
73.02934	2.3
83.01378	2.3
85.02943	5.7
87.00851	1.0
89.02437	9.6
95.01373	1.5
98.19778	1.1
99.00885	1.3
101.02437	10.5
113.02458	6.1
115.07632	0.8
119.03519	3.9
127.07641	1.1
156.10254	1.9
158.11824	3.8
161.04538	1.0
167.14406	9.3
171.06606	1.0
179.05496	0.6
181.05066	0.7
181.12155	0.5
182.05318	1.0
183.05602	0.7
194.15491	0.7
211.13380	14.1
212.13715	0.6
223.17102	0.6
229.14398	4.7
254.17538	1.6
265.18130	2.7
265.21567	2.7
272.18646	8.6
290.21191	0.6
291.19769	0.7
308.22171	0.8
309.20712	2.8
320.17212	1.3
416.23038	0.9
424.30521	0.7
434.23834	9.1
435.24390	0.8
488.28622	3.7
489.28815	0.7
568.34760	1.8
586.35907	100.0
587.36267	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	587.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38437	0.5
52.84114	0.5
57.03443	8.7
59.01378	5.9
61.98826	3.5
70.24406	1.5
71.01382	3.6
71.05012	0.9
73.02945	1.4
77.03955	0.6
81.07151	0.5
83.05002	1.3
85.02941	1.0
88.12191	0.5
93.03444	0.6
95.05007	2.0
99.08155	33.8
100.00315	0.5
101.02436	2.0
101.06091	2.5
102.34006	0.5
103.40753	0.5
105.03465	1.6
109.06577	1.0
113.02446	1.5
120.42775	0.5
123.04519	100.0
124.04844	2.2
127.07646	57.7
128.07965	0.6
129.05577	28.4
138.03218	0.8
140.86739	0.5
147.06627	12.7
149.02292	0.5
153.05569	57.2
154.05898	1.7
159.03029	0.5
161.04552	7.3
171.06619	12.5
189.07655	6.4
257.12756	0.7
285.09778	20.6
286.10071	0.6
319.13947	8.9
448.16205	0.5
457.10535	0.8
457.17081	17.3
458.17545	1.4
481.18875	0.7
587.15515	0.5
587.23407	14.4
588.23633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61688	0.8
59.01379	23.9
61.98822	3.1
62.38464	0.8
64.97565	0.9
66.11689	0.8
69.27283	2.8
69.27707	4.6
70.41364	0.9
71.01375	5.8
72.99287	0.7
73.02945	1.3
83.01377	1.5
87.00887	1.0
89.02431	5.7
95.01402	0.9
97.06606	1.0
101.02423	5.0
101.18562	0.8
113.02454	2.5
119.03493	1.6
121.02962	1.2
121.10226	3.6
125.09682	3.0
127.07667	1.7
127.25743	0.8
135.04498	2.4
151.00320	3.3
152.01117	1.9
153.12843	1.4
161.02391	1.5
161.04515	1.6
171.06647	2.0
174.03113	1.3
175.03995	1.1
177.60487	0.8
185.11819	5.5
191.61343	0.9
197.11823	1.9
206.99312	1.5
211.13330	1.5
216.04262	0.9
217.05104	1.0
235.08035	0.9
236.10565	1.0
247.20578	3.1
253.09262	19.0
254.09589	1.1
259.02420	1.4
263.20132	5.5
273.18625	5.7
275.05569	2.6
286.60281	0.8
291.19641	100.0
292.20010	7.5
303.05173	5.4
304.31210	1.0
314.03931	0.9
331.04355	2.0
487.23386	1.2
524.29388	1.8
527.22333	0.7
527.28699	11.3
587.35815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.0
59.87796	1.4
61.98824	4.1
69.23222	12.0
71.01373	7.1
73.02966	1.8
75.00883	1.6
89.02443	3.3
93.03439	2.4
97.06589	26.9
98.19947	2.5
101.02458	4.2
103.19334	1.5
111.63850	1.1
113.02417	2.4
126.90386	1.2
152.45972	1.4
161.04552	2.1
183.13905	2.5
191.30058	1.4
193.12347	10.1
194.12869	1.8
211.13364	19.8
253.09299	24.1
291.19644	100.0
292.19986	5.8
302.99677	1.4
432.32269	1.9
501.34027	1.6
587.21124	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59629	2.6
59.01382	100.0
61.98840	3.6
63.86528	3.1
63.99742	2.7
69.42290	2.9
70.89981	4.9
70.90315	4.5
71.01381	9.6
80.81775	2.6
83.20368	2.7
85.02943	4.1
85.48895	2.6
92.42477	2.7
93.03511	2.9
93.73137	3.5
93.73704	2.8
96.96021	5.0
101.02459	6.6
113.02440	6.8
115.00389	4.5
119.05019	6.9
121.80286	3.1
144.25807	2.8
161.04549	3.9
163.04036	3.4
181.04985	3.7
221.04533	4.9
221.10297	21.0
263.11414	7.3
407.47995	2.8
413.30453	2.9
514.64606	2.8
590.61450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50747	0.3
59.01380	5.1
60.52111	0.4
70.99363	0.4
71.01378	3.9
81.07102	3.9
83.05003	1.3
85.02939	0.8
89.02449	4.1
93.03404	0.5
94.04291	0.5
99.08147	0.7
101.02452	0.9
105.03456	0.5
109.06587	5.8
113.02441	0.7
123.04521	19.7
127.07655	14.1
129.05559	1.6
131.03505	0.7
138.03220	7.7
149.04559	1.5
153.05571	100.0
154.05901	2.7
161.04630	0.7
171.06625	12.1
194.76482	0.4
285.09772	1.2
293.08685	0.6
321.11823	0.6
323.46899	0.4
439.16071	41.7
440.16345	2.6
589.21387	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	589.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01376	5.7
61.98827	0.5
69.62660	1.6
71.01381	3.9
76.14716	0.3
79.05560	0.3
81.07091	3.2
83.05029	1.3
85.02943	1.0
85.39872	0.3
87.18574	0.3
89.02438	3.8
93.03428	0.4
94.04229	0.5
95.05031	0.7
99.08150	1.1
101.02444	0.9
106.22609	0.3
109.05883	0.3
109.06585	6.1
113.02431	1.0
119.05039	0.4
121.02953	0.5
123.04525	21.1
124.04832	0.6
125.06061	0.4
127.06707	0.6
127.07652	12.0
128.07996	0.4
129.05615	1.8
131.03496	1.2
133.11797	0.3
138.03227	7.3
149.04561	1.9
153.05573	100.0
154.05907	2.6
161.04544	0.8
163.77612	0.3
169.57840	0.3
171.06628	10.8
187.11183	0.4
195.08363	0.3
268.37851	0.3
285.09863	1.6
293.08804	0.7
316.11270	0.3
439.16068	41.7
440.16599	2.5
457.16821	0.5
589.21259	4.0
590.21698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50328	1.2
57.03430	1.4
59.01106	2.2
59.01377	22.1
61.98818	5.2
63.35904	1.2
65.45763	1.2
71.01380	10.5
71.50597	1.6
73.02942	2.8
84.87525	1.1
89.02444	6.2
93.03452	1.1
95.05012	1.3
99.08152	3.6
101.02443	5.5
110.02486	3.3
112.04052	10.1
113.02439	3.5
115.00324	2.2
119.03469	2.2
119.05034	2.2
122.02454	4.0
122.06096	3.9
123.03262	14.7
123.04511	6.7
124.04069	9.6
124.07643	1.8
127.07632	3.7
129.05556	4.1
130.08577	1.2
131.03496	1.3
133.01451	1.3
134.06131	1.5
136.04021	1.4
136.06644	1.8
136.07674	25.4
137.06085	8.3
138.01376	1.4
138.05605	100.0
138.09262	11.5
140.07162	4.2
145.59853	1.1
161.04611	2.0
163.03958	1.6
166.05080	2.8
178.52620	1.3
179.05701	2.0
180.06660	9.1
182.04549	11.3
184.06140	40.0
215.08247	1.5
216.13889	3.9
229.99971	1.3
231.11308	2.5
243.11357	5.6
244.12070	2.5
249.09146	2.9
250.45392	1.4
259.11746	2.4
259.14499	46.6
260.14865	1.6
261.12573	1.9
277.15475	1.7
285.12247	1.6
291.84579	1.1
293.08484	4.8
303.13492	48.9
304.13879	2.8
311.09134	6.1
321.14517	23.7
344.09842	2.1
356.77164	1.2
357.09821	2.0
417.13205	1.3
450.13956	3.4
452.15472	2.8
470.11746	1.6
521.52887	1.3
571.22705	10.6
589.23273	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97660	0.9
55.01852	1.1
57.03431	3.3
58.00579	1.2
59.01373	35.1
61.98810	1.3
71.01379	21.1
72.99303	1.7
73.02945	3.1
75.00842	1.5
83.01376	1.0
85.02945	4.9
89.02436	23.6
95.01386	1.5
99.08154	12.6
99.39050	0.9
101.02429	14.3
113.02440	8.4
113.09695	0.9
115.00349	1.6
119.03493	7.1
119.05029	0.9
123.04513	24.7
125.02428	1.5
126.63036	0.9
127.07644	15.4
129.05580	10.3
131.03496	1.8
135.02960	1.3
141.09224	5.0
143.03488	1.3
149.04523	3.6
153.05565	11.1
159.10295	4.3
161.04530	1.9
162.33463	0.8
171.06555	2.1
191.05548	1.6
285.09641	3.5
293.08817	4.7
311.09042	5.9
321.15500	100.0
322.15820	6.2
357.09457	1.2
417.13821	2.8
457.16959	2.0
589.21295	11.8
590.21411	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	589.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51917	1.1
56.13798	1.3
58.00602	1.6
59.01376	100.0
61.98825	1.8
69.03427	1.3
69.28929	6.3
69.29364	4.9
71.01378	30.7
72.99285	2.4
73.02941	46.0
77.77146	1.3
83.01392	12.3
85.02950	6.4
87.00876	2.2
89.02451	10.9
91.24654	1.2
95.01385	1.9
99.00845	1.4
100.68162	1.2
101.02435	40.5
113.02457	17.4
119.03475	8.5
119.04963	2.2
123.04479	1.5
125.02396	1.5
131.03481	4.7
135.02968	2.0
143.03459	5.7
149.04552	11.1
153.05489	1.7
159.06554	1.4
161.04553	21.1
163.03938	2.9
165.05533	1.3
169.05434	1.3
179.05585	1.8
201.77914	1.6
203.05574	2.7
221.06619	7.0
233.15411	10.6
237.08952	1.3
239.12875	1.8
245.15346	2.2
279.62680	1.4
287.16599	1.9
311.05566	1.8
328.98639	1.4
335.28745	1.3
419.07098	1.5
455.22794	4.9
529.21814	1.8
545.13300	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	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.5
66.86864	0.3
71.01362	0.3
71.50437	0.3
71.50819	0.3
72.99315	2.3
74.02464	0.4
75.00870	100.0
76.01214	0.7
87.08549	0.3
89.92913	0.3
91.68554	0.3
148.04993	0.3
169.92859	0.3
277.21634	0.6
420.66006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52338	2.0
57.03451	2.9
59.01379	100.0
59.03930	2.2
61.98829	2.7
62.55243	2.0
63.35201	2.3
63.87386	2.1
71.01384	16.8
73.02945	6.6
83.01372	4.4
85.02959	10.5
101.02449	15.4
101.20551	2.4
113.02465	10.4
160.54683	2.1
178.18529	2.1
273.41190	2.6
387.33145	2.5
467.29932	7.3
485.31107	23.5
492.19174	2.8
503.32193	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	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23463	0.1
59.01391	0.1
59.23656	0.1
61.98829	100.0
62.98516	0.1
69.77905	0.2
69.78310	0.3
82.84439	0.1
98.20709	0.1
100.61485	0.1
113.79317	0.1
126.39599	0.1
200.05278	0.1
291.19626	0.2
292.20026	0.2
293.20413	0.2
350.62210	0.1
411.36874	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	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98827	100.0
71.01366	0.2
71.62685	0.2
135.86871	0.2
221.62251	0.2
292.19907	0.3
294.21353	0.2
315.14899	0.2
510.22946	0.2
544.10901	0.2
554.89197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	9.3
60.21953	5.6
61.98835	100.0
71.01378	15.6
71.50415	7.5
75.00864	47.3
78.95894	9.3
79.04092	5.8
85.02948	12.0
88.15791	6.6
92.30518	5.9
96.54764	5.4
101.52905	5.7
113.02424	11.4
162.46423	5.3
193.76239	5.6
261.19131	6.9
277.21591	26.1
279.23190	7.8
283.08722	6.4
305.02707	6.4
404.74075	6.6
491.43158	7.1
527.28632	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62738	0.3
59.01379	0.6
61.98829	100.0
118.97488	0.3
171.79829	0.3
190.02588	0.4
208.00449	0.3
230.62907	0.3
295.22583	0.4
380.37201	0.3
591.15234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57300	0.4
50.67166	0.4
59.01367	0.7
61.98828	100.0
69.20857	1.6
69.21282	1.6
72.01600	0.4
73.79262	0.4
89.67757	0.3
131.21785	0.4
209.68375	0.4
294.21564	0.8
380.99020	0.4
547.34570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.62306	0.6
56.27138	0.6
61.98824	1.4
63.33284	0.7
63.95396	0.7
66.31017	0.7
71.50294	1.0
76.12272	0.6
130.99995	0.6
159.48927	0.6
174.61479	0.7
176.75705	0.7
209.81976	0.7
260.89392	0.7
305.24695	1.1
368.33633	0.7
396.17307	1.0
443.22568	1.5
445.19769	1.1
459.21805	2.1
471.21384	0.6
471.25510	2.1
472.22510	2.2
473.23770	0.8
482.20947	2.0
485.19986	2.1
487.25739	3.3
496.22153	0.8
497.23361	2.6
499.21390	3.9
500.22180	11.8
501.22421	1.4
514.23560	0.9
515.24512	100.0
516.24817	11.5
559.23456	4.4
601.93848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03442	2.6
57.98372	0.4
58.00608	2.4
59.01379	100.0
60.01710	0.7
61.98848	0.5
69.03436	0.8
70.40456	0.3
71.01379	56.9
72.01720	0.5
72.99301	2.9
73.02945	19.1
75.00862	1.0
83.01380	7.1
85.02949	16.9
87.00874	3.1
89.02442	40.8
93.88083	0.4
95.01385	4.7
96.96000	0.5
97.02946	1.2
99.00880	3.1
99.04501	0.4
101.02438	36.8
109.02917	0.6
111.00871	0.7
113.02448	35.7
114.32209	0.4
115.00340	0.6
116.92887	1.8
118.98082	2.2
119.03499	16.7
125.02440	1.9
129.01942	0.4
131.03503	3.0
137.09734	1.8
143.03494	5.9
147.04500	0.5
149.04579	2.2
153.01906	0.8
159.02888	1.2
161.04552	16.5
161.05869	0.6
163.03893	0.7
163.64128	0.4
164.11450	0.3
168.45198	0.3
179.05617	11.0
189.07550	0.5
189.12703	1.5
203.05565	0.5
205.03372	0.5
207.13713	1.3
221.06572	0.6
225.14731	1.4
300.69421	0.5
312.95309	0.4
313.11316	0.4
351.17761	0.7
369.19147	10.8
370.19254	0.6
387.20227	9.3
388.20267	0.7
411.19711	1.3
429.21323	1.8
483.21970	0.4
486.12863	0.4
529.05573	0.4
531.24500	21.4
532.24921	2.1
549.25470	17.1
550.24896	1.5
591.18207	1.3
591.25610	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	5.1
61.98825	16.6
69.36538	4.8
70.01159	24.9
75.00864	100.0
78.95899	32.0
90.02537	4.9
96.96011	6.4
110.13555	5.2
123.04502	75.3
140.37387	4.6
152.99564	30.1
259.92029	5.1
268.97568	6.2
279.23236	18.9
325.85629	5.1
507.26978	6.2
573.02106	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	591.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	71.1
60.01692	0.6
61.98817	2.1
69.30600	3.2
69.31031	1.5
71.01389	0.6
76.45083	0.6
78.63906	0.6
78.95894	1.6
109.35092	0.6
156.78902	0.5
196.05952	0.6
201.89032	0.6
247.04051	0.5
261.06506	0.5
263.20123	100.0
264.20483	5.2
296.22556	0.6
324.30313	0.6
359.22845	0.6
606.65588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89145	1.6
58.57832	1.9
58.72847	1.7
59.01379	2.4
61.98829	3.2
63.20442	1.9
70.82474	4.5
87.37756	2.0
175.69438	1.9
277.21692	100.0
278.21954	5.9
415.38660	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97637	0.5
61.98811	1.0
69.35207	1.2
69.35616	3.0
72.99309	1.8
75.00867	100.0
76.01208	1.0
79.40089	0.6
87.00555	0.4
96.31351	0.5
96.96008	0.9
97.64611	0.5
102.78999	0.5
140.48900	0.4
148.31635	0.4
148.37822	0.5
211.24786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64604	1.9
57.03461	3.1
59.01377	100.0
60.54670	1.7
61.98828	7.2
70.05908	4.3
70.06306	3.2
71.01382	26.6
73.02953	10.3
80.82564	1.7
83.01376	7.6
85.02953	12.8
87.00880	1.7
89.02426	2.3
90.20090	1.7
95.01396	3.4
97.04915	2.0
99.00892	3.9
101.02429	17.1
101.62055	1.7
113.02435	13.2
119.03479	1.8
121.10280	4.5
125.02388	3.2
143.03526	3.2
161.04543	6.9
185.15433	4.6
218.72702	2.2
226.06378	13.7
241.08691	21.0
241.51912	2.2
275.25015	2.5
343.28629	3.9
347.20734	6.7
429.22629	2.0
432.37720	1.9
487.32727	62.1
488.33206	6.2
505.33817	33.8
506.34378	2.9
547.35028	3.8
603.91400	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	592.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.60803	0.2
61.98828	100.0
69.13560	2.2
71.01395	1.0
89.02429	0.8
101.02460	0.5
107.01453	0.3
113.02438	0.5
119.03488	0.3
119.05013	2.4
135.03003	0.2
156.00650	0.3
163.03999	5.9
174.01691	0.3
199.08742	0.3
284.03394	0.4
285.04111	0.3
326.66748	0.3
386.02725	0.3
431.13516	1.0
593.14636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30768	0.2
57.36699	0.2
59.01374	2.4
61.98827	100.0
69.17065	0.9
69.17483	0.7
71.01382	0.7
78.98586	0.3
79.95731	3.5
80.84472	0.2
80.96517	6.1
85.02952	0.3
94.98092	1.3
97.02966	0.2
101.02488	0.2
110.54813	0.2
119.90038	0.2
122.97585	0.4
123.43610	0.2
127.04047	0.2
134.97559	0.5
148.99152	0.6
152.98628	0.7
164.98660	0.8
182.99728	0.3
206.99684	0.4
225.00699	1.9
234.08899	0.2
299.04553	0.5
371.05814	0.2
375.00470	0.2
399.09665	0.3
455.16083	0.4
548.35382	0.2
592.25085	0.2
593.26331	12.9
606.86707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80591	0.2
61.68441	0.2
61.98827	100.0
70.98682	0.6
80.96564	0.2
104.71529	0.2
193.41769	0.2
232.02129	0.2
260.76520	0.2
455.55258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09115	0.1
52.30227	0.1
54.52049	0.1
59.01376	0.5
61.98827	100.0
63.93388	0.1
63.99276	0.2
65.12244	0.1
70.04947	0.1
70.05289	0.5
73.06981	0.1
80.96513	0.4
81.92099	0.1
88.63428	0.1
99.94884	0.1
140.42578	0.1
158.96939	0.1
239.61592	0.1
254.47433	0.1
525.71332	0.1
592.25305	0.2
593.26678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54967	0.5
51.63652	0.4
59.01373	0.8
61.98830	100.0
64.16334	0.4
69.44281	2.2
73.83096	0.5
81.01336	0.4
82.98318	0.4
84.19197	0.4
93.19164	0.4
97.35785	0.4
117.56413	0.5
121.02959	35.3
165.01974	1.6
181.06552	0.9
184.48062	0.4
197.06053	0.6
202.28766	0.4
209.04544	24.3
225.05624	0.5
295.22821	0.7
296.23154	1.1
313.07309	0.6
357.06131	0.6
359.58133	0.4
505.11642	1.6
549.10449	3.1
593.13129	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	592.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67465	0.3
59.01373	0.6
61.98826	100.0
69.54501	1.9
75.82837	0.3
87.17127	0.3
121.02975	0.4
209.82956	0.3
230.03043	0.3
393.73434	0.3
488.44269	0.4
593.26678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.90765	0.3
61.98827	100.0
71.51010	0.6
115.92113	0.7
127.40302	0.3
151.04019	1.2
154.39871	0.4
281.27731	0.3
294.25336	0.6
295.25626	0.5
302.34167	0.4
514.28992	0.4
520.35870	0.3
544.56671	0.4
570.13440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26379	0.2
59.01389	0.6
61.98835	1.1
67.42079	0.2
69.88423	0.4
69.88811	0.4
77.03954	0.4
79.89449	0.2
79.95748	0.2
80.96503	0.9
91.01910	0.3
93.03461	0.2
112.44619	0.2
120.02177	0.7
121.02953	100.0
122.03284	2.0
122.97594	0.2
136.01646	0.3
151.39832	0.2
153.32539	0.2
163.04068	0.2
165.01923	4.4
169.22134	0.2
180.05762	0.3
181.05019	0.4
181.06555	2.4
197.06064	1.5
207.04485	0.8
207.08057	0.4
209.04538	58.2
210.04889	1.5
223.03943	0.4
225.00656	0.3
225.05560	1.8
251.07127	0.5
257.09619	0.6
301.08691	0.4
313.07138	1.9
357.06052	0.8
383.07635	0.9
401.08585	0.3
417.09784	1.2
505.11337	2.8
506.11594	0.4
549.10376	6.7
550.10718	0.6
593.12909	9.9
593.26544	1.6
594.13617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72978	0.6
59.01374	4.7
61.98815	1.9
63.02386	1.4
65.00327	0.8
69.16380	5.4
83.01382	1.0
93.03444	1.7
101.02424	0.9
107.01373	2.6
117.03455	3.9
119.05006	4.8
121.02873	0.9
121.87283	0.6
123.04536	0.6
128.73209	0.5
132.02118	0.9
135.00883	1.6
143.05055	1.2
145.02951	13.2
147.04424	0.7
151.00340	5.1
153.01976	0.8
153.05563	0.6
154.04317	0.7
157.06584	0.8
159.04469	1.5
163.00380	1.7
163.03979	5.5
167.05038	0.6
169.06636	0.7
171.04552	1.1
183.04463	1.3
185.06075	2.6
187.03964	3.9
189.05602	0.7
197.06122	1.4
199.03964	1.2
200.04825	0.7
211.03902	3.5
213.05545	1.9
227.03479	37.1
228.03902	2.1
229.05029	10.0
239.03412	1.7
240.04222	1.1
241.04976	1.6
255.02966	65.3
256.03613	9.0
257.04486	6.4
258.05267	0.7
265.10730	0.8
267.02734	0.6
269.04779	0.6
284.03244	73.2
285.04004	100.0
286.04352	4.9
307.08176	5.6
325.09378	0.6
327.05252	0.6
431.13608	0.8
447.09277	3.4
593.12964	88.8
594.13239	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96897	0.5
59.01370	1.1
61.98821	0.7
63.02402	1.1
63.10312	0.5
65.00333	1.4
66.25105	0.6
67.24180	0.6
69.61578	3.6
89.02468	0.6
93.03456	1.8
107.01400	2.8
109.02937	0.8
117.03445	0.9
119.05032	3.0
125.02429	0.8
132.02167	1.0
135.00891	1.1
143.05006	0.9
151.00349	2.6
157.06520	0.8
159.04558	1.7
163.00404	3.3
163.03978	4.2
167.05032	1.1
169.06602	0.8
171.04494	0.8
173.06145	0.6
178.99847	1.0
183.04503	1.0
185.06097	2.2
187.04079	3.1
189.05539	1.0
195.04567	0.8
197.06094	0.9
199.03949	0.8
201.05612	1.0
207.61470	0.6
211.03931	3.3
213.05557	1.7
227.03470	34.3
228.03917	1.4
229.05042	13.8
239.03529	2.0
240.04311	0.9
241.05040	2.3
243.02815	0.7
255.02966	59.4
256.03604	4.7
257.04514	6.9
267.02872	1.2
283.99896	1.3
284.03250	68.4
285.04004	98.3
286.04361	5.8
327.05200	1.3
387.32117	0.7
424.78284	0.6
593.15051	100.0
594.15338	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	593.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03568	0.7
54.88431	0.7
61.98834	6.3
69.47813	4.0
70.14134	0.6
75.72241	0.5
100.73600	0.7
117.03460	2.3
119.05025	49.5
120.05403	1.2
146.19487	0.8
152.31087	0.7
163.04005	100.0
164.04381	3.4
204.90990	0.6
269.08151	2.5
273.55838	0.7
325.09134	2.9
431.13452	18.2
432.13416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.187
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38389	0.3
71.16927	0.3
71.24196	0.7
91.17225	0.3
93.03459	0.3
117.03465	1.2
119.05021	54.7
120.05341	1.2
121.02923	0.3
163.04001	100.0
164.04355	2.8
173.73900	0.3
180.09135	0.3
184.44881	0.3
227.03484	1.2
255.03055	1.8
257.04465	0.4
269.08173	2.1
284.03278	1.6
285.03967	3.1
300.71747	0.3
325.09247	13.3
326.09619	0.8
408.50348	0.3
431.13464	5.9
432.13757	0.4
593.15283	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	593.2628
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01380	74.8
61.98831	84.1
63.99218	0.9
71.01382	7.1
71.50558	0.9
73.02945	1.6
74.61954	0.7
78.98589	4.8
79.95740	33.5
79.96217	1.8
80.96515	53.6
83.01384	0.9
85.02952	2.8
87.00911	1.6
94.98085	12.7
96.96020	1.5
97.02928	1.5
101.02428	3.1
106.98082	2.4
119.04981	1.3
122.97605	5.0
123.04536	1.3
125.02447	3.0
134.97542	3.9
136.99126	1.9
148.99123	5.2
152.98665	6.2
163.03963	1.8
164.98624	8.9
182.99599	1.6
206.99695	3.5
225.00746	15.6
241.00134	1.3
243.01758	1.8
299.04346	3.8
315.04074	1.3
371.06482	1.7
399.09528	1.9
413.11066	1.3
427.12759	1.1
455.16177	1.9
495.18942	2.0
523.18610	1.2
524.19287	1.4
593.26331	100.0
594.26770	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15305	0.6
59.01394	0.9
67.38203	0.7
69.28040	1.9
69.28450	4.4
78.95901	72.1
80.99738	0.7
96.96957	13.4
98.19852	1.1
124.84444	0.7
132.19794	0.7
136.67427	0.7
140.38524	0.7
150.98042	1.6
152.99580	100.0
153.99869	0.9
171.00653	2.4
223.00121	9.3
223.48991	0.7
241.01176	23.8
259.02258	1.9
277.21704	47.4
278.22073	1.7
315.04861	17.0
333.05997	0.9
363.83038	0.8
451.45236	0.8
593.27252	69.7
594.27368	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	593.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
62.96391	0.9
66.74814	0.9
70.49892	1.3
70.50227	1.6
76.65119	0.8
78.95897	91.1
86.38155	0.9
93.89936	0.8
96.96952	19.5
120.77216	0.8
150.97935	2.0
152.99573	63.4
223.00108	2.1
241.01178	35.2
242.01425	1.1
259.02274	1.5
277.21686	52.0
278.21973	4.1
290.09076	0.8
315.04861	10.8
379.57104	0.9
413.20917	7.5
431.22076	1.0
593.27271	100.0
594.27765	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	593.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19058	2.2
58.00564	2.7
59.01376	100.0
60.45150	2.2
71.01375	50.3
83.01369	3.0
85.02932	10.4
87.00906	2.9
89.02440	70.9
89.95343	1.9
95.01382	3.1
101.02438	28.5
113.01833	2.3
113.02458	23.6
119.03496	35.2
131.03534	4.9
143.03465	6.3
149.04488	3.0
161.04532	8.2
171.50900	2.1
179.05611	24.9
255.03052	10.7
280.23694	2.0
283.02438	27.4
284.02908	5.5
285.03961	7.7
340.74603	2.6
355.70020	2.7
431.09900	11.7
446.08539	5.1
533.25983	39.3
534.25629	3.7
593.15063	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60849	2.5
57.03431	2.7
59.01375	100.0
61.98822	9.7
63.21062	2.7
70.82986	4.4
70.83336	3.0
71.01371	22.0
72.99312	2.8
73.02930	5.5
83.01380	4.1
85.02948	11.7
95.01417	3.6
99.08121	4.2
101.02437	9.3
111.00814	2.4
113.02439	7.3
116.09754	2.8
125.02440	3.0
127.07629	5.1
129.05550	4.0
143.03429	3.8
150.47566	2.6
152.88673	2.5
153.05493	4.3
163.03999	3.5
219.05861	3.0
222.42336	3.3
345.30173	6.0
372.80316	2.8
387.02017	2.6
389.25995	2.7
489.34222	52.6
490.34753	7.6
507.35425	35.3
549.36365	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	594.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32921	1.6
50.78139	1.7
59.01385	2.7
61.98827	100.0
70.29095	6.4
78.95893	10.4
88.98820	1.9
112.02644	1.8
121.19437	1.7
141.61052	1.5
152.99565	9.7
192.98819	1.8
227.03226	3.2
231.04518	2.0
255.23285	6.8
267.02499	4.5
483.27115	2.7
492.42996	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	594.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94361	0.4
56.29306	0.5
61.98826	100.0
62.31503	0.6
69.20503	4.5
69.66643	0.5
77.88080	0.4
78.95903	0.6
79.04382	0.6
80.67972	0.5
89.50954	0.5
92.04425	0.4
98.20673	1.0
106.06638	0.7
108.87997	0.4
131.58060	0.5
147.08212	0.5
150.05685	0.5
157.58324	0.4
171.01393	0.5
197.07616	0.5
281.24808	1.1
296.26874	0.5
485.53726	0.5
509.28806	0.8
612.50500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.1
59.42310	1.6
61.98817	2.6
69.13367	15.0
69.19532	1.6
71.01383	11.8
71.87866	1.6
73.02979	1.8
87.00874	16.3
96.96007	2.5
97.03534	1.8
101.02399	2.1
107.20986	1.5
115.00381	36.6
117.39953	1.5
123.04562	2.2
125.42561	1.7
133.01408	4.3
135.04550	2.8
147.04620	1.7
157.01401	3.4
175.02486	100.0
176.02832	2.8
186.80930	1.6
191.03510	2.8
219.02853	3.2
263.06747	2.0
279.05212	3.2
297.06015	1.8
303.15259	1.6
338.06000	1.8
458.44446	1.5
595.24213	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	595.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01380	14.2
61.98828	26.3
63.32901	1.3
71.01373	4.8
71.50647	1.7
71.68540	1.2
83.01390	1.4
85.02938	1.8
85.76157	1.1
87.00858	1.3
89.02425	5.4
97.99368	1.3
99.08167	9.6
101.02457	1.9
113.02460	1.4
116.92795	1.4
117.03458	5.3
119.03540	1.8
119.62299	1.3
127.07664	10.8
129.05580	43.0
134.03731	4.5
135.04471	1.8
135.08052	1.5
137.02415	6.8
141.03513	1.5
145.08711	1.8
147.04512	7.7
149.06079	1.2
151.00380	2.7
155.04997	1.2
159.04510	1.7
160.01663	1.9
171.04498	1.3
171.06583	3.0
175.04047	1.5
178.99803	9.3
179.03461	3.6
179.05673	1.4
182.03816	1.4
183.04527	7.7
187.04041	1.7
189.07678	82.6
190.08008	2.1
190.71172	1.3
193.05011	3.4
211.03912	3.1
211.13539	1.9
227.03508	11.6
255.02995	53.7
256.03433	4.4
283.02466	100.0
284.03186	17.3
327.21774	2.2
385.06976	1.3
405.06198	5.6
595.22052	8.8
595.30756	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	595.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78481	0.7
59.01376	27.9
61.98825	3.7
69.30235	5.1
69.30654	1.6
72.50575	0.6
75.00874	1.0
93.03458	2.9
94.91924	0.7
101.02431	0.9
115.67112	0.7
122.14956	0.7
135.11781	1.0
139.04008	1.0
147.04492	2.5
163.00320	2.4
171.04364	0.8
179.10768	15.0
180.11159	0.7
183.04492	2.1
183.11285	0.8
195.04431	0.9
197.06079	0.8
199.03961	2.6
208.58636	0.8
211.03853	0.7
213.05568	1.5
223.09818	2.2
223.13255	0.8
225.05571	1.3
227.03494	17.5
228.03880	0.8
239.03471	6.6
240.04234	1.7
241.04959	2.9
241.10873	1.1
255.02951	3.3
262.98743	0.8
267.02988	3.4
267.12234	1.0
268.03653	1.2
269.04636	4.0
283.11975	0.7
289.08771	1.2
295.02164	0.9
296.03235	2.8
297.04031	10.3
317.08002	1.9
333.07660	88.1
334.08057	7.4
341.16016	2.8
345.07501	1.6
361.07172	24.6
362.07745	7.5
390.07422	37.3
391.08102	11.6
394.06470	0.9
501.10330	5.6
504.71027	0.9
509.20224	1.0
551.21362	2.3
595.14514	100.0
596.14990	13.3
597.21826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.09934	1.2
55.01869	1.5
59.01363	3.0
61.98820	2.9
65.00303	1.6
65.20515	1.4
68.99788	2.2
69.76233	2.7
69.76625	4.5
71.01374	3.8
71.29469	1.3
75.00845	2.1
75.10021	1.2
81.03452	2.8
83.01373	3.7
83.59908	1.4
89.02451	1.4
93.03462	9.5
95.01382	2.8
95.04999	1.7
97.02927	4.3
101.02414	3.4
107.01396	7.8
107.05051	1.8
109.02937	3.7
111.00873	2.2
111.04543	2.7
113.02409	2.0
115.00331	2.0
117.03465	2.7
117.97726	1.4
119.05019	49.9
121.02923	5.7
123.00906	3.5
123.04469	4.4
125.02432	9.3
133.02928	1.6
135.04523	3.5
137.02463	6.6
139.03984	6.1
143.05038	6.7
145.02942	8.0
147.04552	3.9
149.02420	6.3
150.03209	2.9
151.00368	6.4
151.03970	3.4
158.99001	1.3
161.06093	4.5
163.00349	3.1
163.03969	5.6
165.01894	7.3
167.03481	10.6
167.26550	1.4
175.03970	2.3
177.01865	7.7
178.02577	2.3
179.03477	3.8
187.04056	8.2
191.03476	3.5
193.01436	10.6
197.04482	4.3
199.07574	3.5
203.03531	1.9
205.01443	6.6
207.02997	5.9
209.04504	4.5
219.02985	4.2
221.04521	2.1
223.02466	2.0
227.07147	2.5
231.03046	1.8
235.02440	16.8
241.08676	2.0
247.02487	2.2
249.04044	2.9
261.04062	2.2
265.03409	7.2
265.08789	1.6
267.06564	1.7
271.06015	4.5
283.06180	2.8
313.07141	21.8
325.07297	7.5
343.08313	8.7
353.06506	1.9
355.08203	95.9
356.08511	5.5
367.08167	6.8
379.07953	1.8
385.09247	83.0
386.09567	6.2
397.09436	3.7
415.10300	25.3
416.10626	1.9
457.11508	9.1
469.11078	2.0
475.12479	40.9
476.12982	3.7
487.12384	7.8
505.13257	12.5
506.13803	1.6
577.15472	6.3
595.16638	100.0
596.17371	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	595.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23215	0.2
57.75269	0.2
59.01376	8.4
61.39943	0.2
61.98829	2.0
64.86959	0.2
71.01379	1.1
73.02968	0.2
80.22108	0.2
85.02939	0.4
89.02451	0.4
91.44447	0.2
93.03455	4.9
101.02457	0.9
103.89831	0.2
106.29273	0.2
113.02460	0.6
119.05048	0.4
121.05718	0.3
121.06589	5.8
121.08709	0.2
155.97139	0.2
161.04506	0.5
165.05556	100.0
166.05888	2.7
173.67191	0.2
207.06593	0.4
211.07664	0.2
223.32129	0.2
229.62105	0.2
246.53639	0.2
271.09784	1.4
289.05612	0.4
327.10812	44.4
328.11136	2.4
433.14948	0.7
581.58551	0.2
595.18634	0.4
595.28857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89523	0.8
59.01378	19.2
61.98813	2.6
82.44878	0.8
93.03451	2.8
98.20708	1.5
135.11803	1.2
139.03923	0.9
147.04518	2.8
163.00343	2.2
169.06642	0.9
171.04440	1.2
179.10776	8.8
197.06093	0.9
199.03990	2.6
211.04047	0.9
213.05576	2.4
223.09839	0.9
225.05424	1.2
227.03479	16.4
229.70071	1.0
236.95177	0.8
239.03546	5.2
240.04123	1.9
241.05002	2.6
255.02953	2.7
257.04568	1.0
267.02731	3.7
267.12393	1.0
269.04498	4.3
295.02374	0.9
296.03177	1.5
297.04022	9.9
333.07660	78.3
334.08139	5.1
341.15878	1.7
345.07596	2.1
361.07141	22.4
362.07913	5.8
390.07440	33.9
391.08124	10.8
418.64423	0.9
455.45444	0.7
491.19138	1.1
501.09857	4.7
502.11139	1.0
551.21503	1.4
595.14520	100.0
596.14795	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	595.2184
Annotation	Kadsulignan D
Peak:m/z	Relative Intensity
59.01383	1.1
61.98827	1.7
67.77151	0.4
69.15359	4.3
71.01366	0.6
80.09534	0.4
83.87343	0.4
84.51882	0.4
89.03967	1.8
105.03471	0.8
106.04237	0.5
109.02969	0.7
110.27711	0.5
117.03448	4.8
119.05023	2.0
121.02953	1.2
124.01635	0.5
129.09653	0.5
131.04990	0.5
132.02167	6.3
133.02954	8.9
134.03738	65.5
135.04535	21.1
135.08170	1.6
136.01653	0.7
137.02444	5.4
138.03200	0.5
138.05899	0.4
139.04042	1.5
145.02998	0.6
147.04468	2.4
148.05312	1.4
149.02434	0.7
149.06093	5.9
150.03204	1.1
151.00365	0.9
151.04054	1.0
152.01125	1.0
153.05528	0.6
160.01657	15.5
161.02455	6.6
162.03258	0.6
163.03984	0.9
164.04785	0.6
165.01958	0.6
166.02699	2.6
175.03993	9.1
176.04530	0.5
177.05644	0.5
178.02679	3.4
179.03490	16.7
180.04016	0.6
181.05070	1.9
187.04031	0.6
189.05502	0.4
191.03592	0.8
192.04323	0.8
193.05042	33.3
194.05377	0.8
205.05034	0.7
206.05624	0.6
207.06618	5.4
263.02475	0.5
371.11148	1.1
386.13846	0.5
387.14279	1.1
401.16046	0.7
407.14368	0.4
580.19342	4.9
595.21820	100.0
596.22211	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02589	0.5
71.27676	0.7
78.95898	66.5
83.54012	0.6
86.91039	0.6
96.96954	11.5
96.97533	1.2
150.97993	0.8
152.99573	100.0
153.99922	1.1
171.00667	3.0
183.37888	0.7
183.79395	0.7
223.00107	12.1
241.01161	25.5
245.60088	0.7
249.13556	0.7
259.02164	1.6
261.22171	0.7
279.23267	65.2
280.23593	4.9
315.04861	15.9
316.05087	1.1
327.26471	0.6
333.05960	1.6
334.82748	0.6
393.78012	0.6
397.50534	0.7
595.28833	79.0
596.29181	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	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55302	0.9
59.01391	0.7
61.27746	0.6
62.96400	1.0
68.48538	0.7
69.41056	0.7
69.47905	4.0
69.48311	1.7
71.33955	0.7
78.32908	0.6
78.95900	81.4
89.33990	0.7
96.96955	15.1
150.97989	0.8
152.36603	0.7
152.99576	100.0
171.00591	2.6
223.00095	11.1
241.01176	25.8
259.02194	0.7
279.23273	72.1
280.23642	6.2
315.04831	12.8
333.05679	0.9
510.48453	0.8
595.28833	53.2
596.29120	6.9
617.96045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3335
Annotation	L 681512-2
Peak:m/z	Relative Intensity
55.01860	1.3
57.03441	0.6
57.35398	0.4
59.01378	13.3
59.89929	0.5
61.98824	4.5
69.03428	0.6
71.01384	14.3
72.01648	0.5
72.99308	1.1
73.02961	3.8
83.01383	2.7
85.02952	5.7
87.00875	2.8
87.53059	0.5
89.02442	4.0
95.01357	0.8
97.02952	0.9
99.00855	1.3
101.02442	8.2
113.02445	4.3
119.03444	1.4
121.29807	0.5
123.04382	0.4
124.32694	0.5
125.02423	1.0
135.08096	0.7
147.04491	0.7
153.05499	0.6
161.04550	1.2
189.07613	0.5
203.92418	0.5
208.03326	0.4
226.06212	0.6
229.57059	0.5
253.21724	1.3
271.22803	16.5
272.23282	0.7
283.22684	0.7
285.24423	0.6
415.26865	2.9
433.28052	18.9
434.28580	1.1
577.32397	1.6
595.33307	100.0
596.33673	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	596.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.5
61.98827	100.0
69.20158	1.8
71.01383	0.5
89.02441	0.4
119.03542	0.2
142.86522	0.2
182.63142	0.2
195.06543	0.2
239.16577	0.2
255.21605	0.2
335.63727	0.2
366.74234	0.2
445.33939	0.2
488.57138	0.2
548.70941	0.2
586.00195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33334	0.2
59.01377	0.7
61.98827	100.0
67.49192	0.2
69.34156	1.6
71.01371	0.3
101.02466	0.2
102.98331	0.2
113.02537	0.3
131.63359	0.2
134.06123	0.4
147.74567	0.2
153.05630	0.2
160.04048	0.4
161.04802	0.6
162.05550	1.2
193.03827	0.5
206.32712	0.2
214.08789	1.0
222.87715	0.2
226.08862	0.5
241.06157	1.3
252.33437	0.2
255.07823	0.3
257.09317	2.6
268.09784	0.3
269.09299	1.7
285.12540	0.9
311.10355	1.3
329.11398	2.5
342.69193	0.2
597.20892	6.3
614.02069	0.2
623.03381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01377	26.6
61.98826	15.6
63.02397	3.0
63.33242	0.8
65.00326	7.0
71.01371	2.5
71.10326	0.9
71.50189	0.9
71.50580	1.5
74.55889	0.8
83.01370	4.9
88.98788	1.3
89.02433	1.4
93.03455	9.0
95.01399	3.0
99.04524	1.7
99.08154	4.8
101.02427	2.6
104.97878	0.8
107.01383	9.3
117.03457	3.9
119.05003	1.0
123.00848	1.3
123.04494	1.2
124.01608	2.1
125.02443	3.6
127.07641	4.5
127.51041	0.9
129.05574	14.1
131.05800	0.8
135.00882	1.9
135.04523	1.7
138.86833	0.9
141.03580	1.0
143.05063	2.0
145.02934	3.0
147.04468	1.6
150.99223	1.7
151.00371	23.9
151.51219	0.8
152.01175	6.4
152.44072	0.9
153.01933	1.0
153.05568	1.2
159.04507	3.7
161.01048	0.8
161.02405	3.8
161.06071	2.1
163.00385	3.9
163.04010	1.3
164.01070	1.6
171.04529	1.4
171.06602	1.3
178.99854	9.3
183.04523	7.7
185.06107	1.8
187.03970	2.6
189.01952	1.2
189.07678	19.0
201.05455	3.0
206.99318	11.1
207.13895	1.5
208.00027	3.9
209.11798	3.7
211.03957	3.7
215.03485	1.6
216.30066	0.9
219.32582	0.9
225.14944	12.6
227.03458	2.5
228.96289	1.0
229.05034	5.0
241.08609	0.9
245.04520	27.5
246.04868	1.5
251.13083	1.2
255.02965	50.2
256.03250	2.8
257.04575	8.2
269.13895	7.5
273.04031	45.9
274.04364	2.0
283.02454	100.0
284.02762	5.3
286.07104	1.1
301.03513	82.7
302.03839	4.1
329.16028	7.0
365.48569	1.0
517.21753	0.9
537.23230	2.4
597.25116	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	597.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16617	1.2
59.01380	7.4
61.98830	55.7
66.95678	1.1
71.01376	5.4
71.50314	1.6
81.63935	1.2
84.53600	1.2
85.02974	1.7
89.02440	2.9
91.01904	4.1
101.02437	3.4
108.02160	2.8
119.03484	1.9
123.04530	17.6
127.07558	1.5
152.01154	3.0
153.05554	3.6
165.01900	5.1
167.03487	100.0
168.03827	2.3
170.97456	1.4
179.03497	1.6
179.05504	1.2
180.04242	3.8
195.06590	4.4
218.13690	1.5
225.07611	5.4
257.04535	3.0
272.06735	1.8
273.07474	2.3
293.12387	7.4
329.08688	6.5
387.14487	1.7
423.24045	1.3
435.12982	14.6
503.16330	2.9
535.18982	2.3
597.17896	4.6
597.27179	2.4
613.65747	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	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71618	1.2
54.64086	1.5
56.73861	1.1
59.01384	12.0
61.98845	9.5
61.99108	2.1
67.89049	1.3
69.20295	3.4
69.20698	12.0
71.01392	8.5
72.99303	1.8
73.02946	4.9
83.01395	4.3
85.02946	3.3
87.00880	30.9
89.02438	4.0
93.03446	4.7
97.02950	2.0
99.00877	4.5
100.01682	2.3
101.02435	5.5
109.02979	2.5
111.00885	33.0
112.98833	2.1
113.02420	2.4
115.00391	2.3
119.03437	1.9
121.02967	6.5
122.03758	11.2
123.00953	1.7
123.04510	3.1
129.01935	2.2
131.03503	3.5
135.04483	2.8
136.01630	1.5
137.02419	2.2
138.03276	1.5
142.99789	1.8
147.02968	1.4
149.02458	27.4
150.03232	85.1
151.00404	2.0
151.04012	9.5
161.02484	3.2
163.04001	3.2
164.04817	13.1
165.05576	85.6
166.02687	2.6
173.00882	1.8
176.04814	3.2
177.01874	2.3
178.06415	2.0
179.03473	5.9
179.07133	13.9
180.04277	9.8
181.05075	6.7
191.03467	2.0
193.08574	2.1
194.05812	6.8
195.04823	2.4
195.06635	31.3
203.03441	1.4
205.04988	2.5
206.05821	2.7
209.08215	7.7
219.03056	2.1
221.08163	2.2
229.08693	2.3
234.05284	3.8
235.05962	2.0
237.07678	1.6
247.05992	2.3
249.04057	3.8
249.07620	5.1
257.04544	2.3
264.06400	10.2
265.07159	7.2
273.07639	1.6
279.08798	1.5
291.08817	2.4
312.09988	1.6
327.12643	4.6
330.31427	1.7
337.09320	11.2
357.13715	3.2
370.54529	1.5
400.09741	2.0
413.12082	6.6
425.67938	1.4
435.12830	5.4
460.25958	1.4
461.14529	61.5
462.14709	3.7
473.14703	1.6
487.16122	1.9
505.16815	3.8
517.17230	1.8
521.16656	5.5
579.17224	10.7
597.18231	100.0
598.18719	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48144	5.4
59.01382	9.1
61.98836	19.5
70.28973	5.1
70.39841	4.9
71.01379	10.5
71.49722	6.9
71.50098	6.6
85.41850	6.0
87.00879	10.9
93.03474	7.0
96.96024	16.9
100.37482	5.5
111.00959	6.3
115.35213	5.6
123.04530	62.8
149.02478	7.5
150.03235	31.9
150.82236	5.4
153.05588	100.0
165.05557	30.9
167.12805	5.6
175.02483	5.5
195.06567	15.4
279.79477	6.5
315.10806	33.8
461.14545	17.4
597.17896	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97623	0.4
57.13257	0.4
59.01376	3.3
61.98828	24.0
67.05366	0.4
69.28427	2.9
71.01370	0.7
82.02985	2.0
85.02972	0.4
89.02444	0.9
98.20721	0.8
106.06632	1.1
108.04536	1.5
122.06104	0.6
123.04527	1.3
123.17200	0.5
129.05508	0.5
132.04547	4.7
133.05293	1.0
134.06125	6.6
136.03987	0.5
152.58836	0.4
160.04047	8.2
161.04819	13.9
162.05597	25.1
163.05934	0.7
171.06830	0.8
173.04808	0.5
174.05515	0.8
176.03566	1.0
176.07108	1.2
176.99773	0.4
186.05592	0.5
186.09160	1.3
187.05063	1.0
187.08783	0.4
188.03416	0.4
188.07173	1.1
193.03786	16.2
199.06339	1.1
202.05133	0.6
210.05602	1.4
211.06334	0.6
212.07161	1.4
213.06544	2.3
214.05257	0.8
214.08746	19.6
215.04620	1.0
215.08133	1.9
225.14926	1.0
226.08832	11.1
227.08403	1.3
229.09827	1.0
239.08199	0.5
240.05254	0.8
240.10516	0.5
241.06175	22.5
241.09966	1.7
242.06775	2.7
242.11867	1.1
243.11366	0.8
254.06985	3.8
255.07727	5.8
256.08499	2.4
257.09305	52.1
258.09604	2.6
266.08102	0.4
267.11481	0.9
268.09888	2.7
269.09305	35.8
270.09628	1.6
278.06854	0.5
283.10837	2.2
285.12433	20.3
286.12845	1.1
293.09256	1.6
299.02078	0.5
311.10358	31.1
312.10681	1.4
320.69904	0.5
329.11392	39.7
330.11929	2.2
346.76288	0.4
434.02786	0.4
477.53210	0.5
597.20844	100.0
598.21185	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	597.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89975	1.1
59.01379	6.3
61.20507	1.1
61.98825	5.9
69.44629	1.2
71.01379	1.7
71.55539	1.4
93.03458	3.0
97.85023	1.3
104.36462	1.1
119.04982	1.5
121.06568	4.1
132.02080	1.7
136.33353	1.2
149.06084	2.3
160.01649	2.3
163.03981	1.4
165.05557	41.1
166.05908	1.6
226.06166	1.6
241.08659	1.2
259.46838	1.2
302.09424	4.4
306.08804	2.1
314.09467	1.5
317.11768	2.2
330.08920	6.9
340.07404	1.6
341.08200	6.0
342.08820	7.3
343.09601	1.4
345.11172	3.7
357.07413	1.8
358.08368	6.4
369.07455	3.5
370.08432	9.3
371.09097	3.0
373.10666	2.1
383.09177	1.9
384.09766	5.3
385.10815	17.6
386.11536	3.7
397.39627	1.3
399.12476	1.5
400.13165	2.8
401.10196	41.9
402.10501	4.6
416.12631	12.5
431.14954	100.0
432.15390	7.5
447.14471	4.5
597.40234	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	597.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68913	1.2
55.57061	1.2
59.01384	6.5
61.98833	15.6
63.99244	1.7
69.35638	11.7
75.00854	1.4
77.85517	1.5
93.03456	4.8
94.05943	1.3
96.96015	1.7
101.25732	1.3
112.37938	1.3
119.05016	1.3
121.06596	4.2
160.01686	2.0
161.02405	3.6
163.04019	1.5
165.05569	69.6
166.05865	1.5
182.87038	1.2
221.49760	1.2
224.04771	1.8
225.05502	2.7
226.06169	2.2
284.47366	1.3
301.08643	5.2
302.09442	5.8
329.07834	2.0
330.08823	2.5
340.07608	1.8
341.08182	5.3
342.08795	2.6
345.11337	5.3
357.07520	3.4
358.08466	4.5
368.07108	1.9
369.07648	8.5
371.09360	2.9
373.10785	2.1
385.07080	5.3
385.11212	3.2
386.07803	12.7
386.12012	2.3
399.12341	2.0
401.10272	54.8
401.15579	2.9
402.10629	4.8
416.12653	33.3
417.12952	3.0
431.14981	100.0
432.15326	8.8
597.27911	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	63.0
61.98819	3.5
70.78632	3.6
71.01390	9.2
73.02934	3.8
85.02937	2.0
87.00886	3.9
89.02428	2.0
93.03438	3.0
95.01398	2.4
101.02425	6.9
109.03029	1.9
111.00877	4.7
113.02434	2.6
115.00371	3.3
121.02956	5.8
122.03710	6.6
123.00790	2.8
136.68521	1.6
146.03712	7.9
147.04543	1.7
149.02426	51.7
150.03220	67.2
151.03673	2.5
161.05986	2.2
163.03882	1.6
164.04778	22.9
165.05560	78.9
166.02756	1.8
179.03519	1.7
179.07126	21.4
180.04231	4.6
181.05061	2.3
189.68713	1.5
194.05835	2.6
195.04829	3.0
195.06612	60.2
196.07033	3.1
209.08192	1.8
265.07123	3.2
277.07187	2.2
312.10010	22.9
327.12341	100.0
328.12714	6.5
337.09174	9.8
375.14456	24.4
376.14755	2.5
461.14716	8.0
553.34204	1.7
579.17285	2.2
597.18427	31.9
598.18872	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	597.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.95168	0.8
57.03446	6.5
59.01378	18.8
61.98829	20.1
64.33033	0.9
64.85850	0.9
71.01384	20.6
72.99300	0.9
73.02944	4.9
83.01376	3.2
83.05028	1.7
85.02939	9.2
87.00896	1.2
89.02447	11.1
90.97861	0.9
95.01392	1.4
99.00870	1.6
99.08157	20.7
101.02444	14.5
101.06082	2.5
103.25626	0.8
113.02441	8.3
119.03511	4.5
119.05019	1.8
124.46331	0.9
125.02417	3.1
127.07648	29.1
129.05576	100.0
130.05901	1.4
130.46715	1.0
131.03473	1.6
137.02431	3.3
153.05598	8.4
159.02879	1.1
161.04544	8.8
165.01950	6.9
165.05528	1.1
167.03564	0.9
171.06599	6.6
179.03448	1.3
179.05606	3.5
180.04222	3.3
189.07718	0.9
195.06577	5.8
207.93050	0.8
221.06561	1.8
225.07640	4.6
229.59145	1.0
263.07520	1.3
263.11349	4.6
273.11319	1.2
323.09677	2.6
340.44650	1.0
387.14386	3.3
407.15585	2.5
425.16611	50.8
426.16919	2.0
579.22870	1.6
597.23962	65.6
598.24530	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	597.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79047	0.8
58.00576	1.1
59.01377	10.6
61.98830	26.8
67.13094	0.9
70.80444	2.1
71.01379	18.0
71.05016	2.2
73.02950	4.7
81.07085	3.1
83.01352	2.1
83.05026	1.9
85.02956	7.2
87.00839	1.3
89.02437	5.8
92.85123	0.9
99.00886	2.0
100.52381	1.1
101.02446	9.7
101.06071	4.2
109.06581	4.2
113.02430	8.0
119.03493	2.1
121.02965	2.3
127.07655	8.4
138.03273	5.5
153.05573	100.0
154.05858	2.2
161.04570	7.8
177.05539	1.0
179.05595	2.0
209.04564	1.7
263.11392	5.9
272.40152	0.9
275.81842	1.0
306.31927	0.9
333.07571	1.9
339.18848	1.1
417.17627	46.6
418.17953	2.8
450.69949	1.1
537.27911	1.7
553.13312	2.5
597.24091	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	597.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03440	6.8
59.01376	20.1
61.98818	2.2
67.04683	1.0
70.85910	1.3
70.86269	2.6
71.01376	20.7
71.05032	1.1
73.02949	7.7
83.01390	3.6
83.05050	1.2
85.02947	10.7
87.00868	1.5
89.02436	11.1
95.01359	2.1
95.83311	1.1
99.00888	3.3
99.02397	1.3
99.08149	25.9
99.54944	1.0
101.02435	21.5
101.06058	3.5
113.02437	10.9
117.02029	1.0
119.03495	2.9
126.59875	1.3
127.07649	18.2
129.05573	100.0
130.05884	2.9
143.03569	1.8
153.05550	5.3
161.04539	9.3
171.06609	2.4
179.05656	1.4
263.09106	1.1
263.11386	9.5
382.85434	1.3
407.15649	3.9
425.16632	62.8
426.16956	3.7
476.38211	1.3
579.22717	2.4
580.22437	1.3
597.23969	95.1
598.24396	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	597.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01376	100.0
59.87275	0.3
60.01710	0.7
61.98828	7.2
64.29338	0.3
69.16706	3.1
71.01372	1.7
72.99307	0.3
75.00880	0.6
85.02944	0.6
98.19846	0.6
99.04498	0.3
101.02438	0.6
113.02444	0.9
114.07030	0.3
135.02997	0.5
161.04639	0.3
162.05594	1.2
165.12804	0.4
207.13824	1.7
209.11823	2.3
212.15334	0.3
221.06650	0.3
225.14940	62.5
226.15311	2.3
227.12849	2.8
241.10927	0.4
251.12894	0.6
269.13925	18.2
270.14285	1.2
273.05804	0.4
287.14999	1.8
329.12009	0.4
329.15994	8.4
330.16345	0.5
387.20291	1.9
431.19107	0.9
434.06271	0.5
435.07550	0.6
491.21033	0.5
537.23407	2.8
538.23792	0.4
555.24310	0.8
569.34735	0.3
597.11786	0.6
597.25287	4.7
597.34521	1.3
598.25201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40665	12.5
54.54604	12.4
59.01357	25.3
61.98825	59.8
71.01385	15.1
71.50697	14.9
71.51056	16.5
119.05001	69.6
134.03717	31.4
136.05286	23.6
163.03983	89.3
165.05496	14.6
189.59120	13.7
193.05061	18.5
195.06642	100.0
197.06094	16.9
225.05522	20.5
226.06291	32.3
273.31583	14.5
334.11411	13.7
343.09576	15.4
386.11584	27.5
401.14105	87.9
431.14597	14.5
454.83963	13.6
597.40778	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3041
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
50.28399	0.6
51.20938	0.6
70.28365	2.6
78.95899	64.9
96.11549	0.6
96.96953	10.8
132.59253	0.7
150.98013	1.8
152.99576	100.0
153.99898	1.0
171.00618	1.8
175.58708	0.8
223.00154	8.9
241.01173	25.3
259.02170	1.7
272.50439	0.8
281.24832	67.8
282.25165	4.1
315.04846	17.3
333.05792	1.2
597.30408	85.5
598.30554	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	597.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
56.38439	0.3
57.03432	0.8
58.00576	1.0
59.01377	25.3
61.98826	6.5
69.03437	0.3
69.42641	0.3
69.96378	1.0
71.01379	16.4
71.45226	0.3
72.99296	1.1
73.02948	2.5
75.00862	0.8
83.01391	2.2
85.02943	5.2
86.00094	0.8
87.00863	1.5
89.02439	8.4
95.01385	1.4
97.02930	0.4
99.00867	1.0
99.59991	0.3
101.02436	11.0
103.30312	0.2
103.77064	0.3
111.00858	0.7
113.01719	0.4
113.02445	4.8
119.03507	2.7
119.62216	0.3
131.03453	0.5
143.03503	0.3
161.04547	0.4
179.05667	0.4
217.76083	0.4
225.14943	1.2
227.20071	0.8
255.02795	0.4
267.02948	0.4
269.13916	0.7
273.20728	2.1
283.02307	0.5
315.04926	0.3
329.16113	0.6
410.09811	0.3
417.24942	3.1
426.68887	0.3
431.26401	0.3
435.25943	18.3
436.26190	1.3
489.26993	0.7
597.31244	100.0
598.31555	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	597.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98608	1.0
59.01378	28.9
61.98830	23.1
69.30168	3.2
69.30596	5.2
71.01384	18.7
71.01774	1.2
72.99335	1.0
73.02955	2.3
75.00877	1.4
83.01398	2.4
85.02937	4.8
87.00867	1.9
89.02447	6.7
95.01374	1.7
99.00856	1.3
101.02441	11.8
101.58559	1.0
113.02451	5.5
119.03455	2.1
127.07607	1.7
140.52002	1.0
162.05676	1.8
165.05515	1.1
167.10834	1.5
179.48250	0.9
188.03584	1.5
209.11810	1.8
211.28912	1.0
227.03505	2.2
228.03929	1.3
253.09248	2.4
273.20648	2.3
307.19180	7.5
325.20193	3.1
333.07541	4.1
334.07834	5.5
335.08405	4.9
362.07870	1.6
363.07901	2.3
377.19623	1.0
388.27823	1.2
390.07486	1.5
391.07587	2.4
392.08066	3.6
403.04691	2.7
417.25287	2.3
435.06830	1.4
435.25964	20.3
436.26419	1.8
447.15494	1.6
489.27139	1.1
543.28284	6.9
565.09583	2.2
597.16302	19.8
597.31299	100.0
598.15674	1.2
598.31787	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	598.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98828	100.0
70.81934	0.5
70.82279	0.8
71.01376	2.8
73.02943	0.7
81.07124	0.5
83.01418	0.4
85.02957	0.8
87.00857	0.5
89.02468	1.1
99.00882	0.4
101.02427	1.6
101.06078	0.4
106.07481	0.4
113.02471	1.0
119.03519	0.4
121.02939	0.4
123.04532	1.0
125.02399	0.5
127.07637	0.8
138.03258	0.3
150.70181	0.3
151.00305	0.4
151.04027	0.4
153.05571	11.2
154.05905	5.5
154.07111	0.5
161.04538	0.7
164.20230	0.3
167.05220	0.3
169.01396	2.2
179.05600	0.4
204.02588	0.4
215.03413	0.7
219.22659	0.3
243.03035	1.4
244.30469	0.3
257.08392	0.6
257.55865	0.4
259.02640	0.4
263.11426	0.8
264.11673	0.4
271.02524	0.4
275.09348	1.0
295.87820	0.3
302.13449	0.4
334.08209	0.8
352.50443	0.3
379.25388	0.3
387.18109	0.4
417.17490	1.9
418.17911	4.7
437.10272	2.1
554.13928	1.3
598.24164	1.8
599.10156	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	598.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98825	100.0
62.87492	0.3
62.98552	0.3
63.83849	0.2
71.01368	0.3
77.14456	0.3
99.01496	0.2
113.02399	0.3
129.05548	0.4
161.04605	0.2
175.34099	0.2
204.84052	0.2
273.11221	0.5
274.11816	0.6
287.87613	0.2
374.34274	0.3
598.35522	0.3
599.25854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	2.3
60.16570	2.0
61.98828	3.8
63.56516	1.9
78.95903	28.3
80.96329	4.2
82.95410	9.7
84.00906	100.0
84.95116	2.9
96.96965	3.8
152.99582	24.2
153.99962	7.1
154.99988	11.7
223.00125	2.6
241.01111	2.8
242.01132	2.6
243.01355	2.2
245.41171	2.1
253.09297	6.3
277.21719	44.3
278.22083	3.1
279.23242	5.0
280.23663	13.1
281.23856	9.8
282.24048	3.8
330.26752	2.1
407.20541	2.1
598.29865	50.8
599.30310	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	599.1037
Annotation	Bromophycolide G
Peak:m/z	Relative Intensity
53.20950	0.8
58.00626	1.0
59.01376	12.6
61.98827	34.2
62.02648	0.9
62.40538	0.8
69.66692	0.8
71.01373	10.1
71.50423	1.5
72.99297	1.3
76.04523	0.8
78.95888	2.7
85.02946	2.0
87.00894	1.8
87.45413	1.0
89.02442	8.0
95.82515	0.9
99.00902	1.0
101.02428	5.0
109.02947	2.6
111.00868	1.5
113.02426	2.1
115.00362	1.4
119.03473	3.2
119.05006	1.7
121.02954	3.2
122.03742	1.7
123.04514	20.1
136.01649	3.1
136.44098	1.0
137.02408	3.0
148.01642	2.9
149.02454	7.5
150.27972	0.9
151.04004	14.2
153.05504	1.1
163.03961	1.7
167.03476	2.8
168.03865	1.4
169.01390	3.2
169.02788	1.2
171.04515	3.3
173.02432	3.2
175.03970	1.5
177.01915	9.3
179.05666	1.6
185.02493	1.7
186.03175	1.3
187.07571	1.0
191.03493	6.6
195.06705	1.2
197.02406	1.8
198.03270	1.3
199.03970	2.2
201.01941	2.9
202.02661	1.1
203.03406	1.2
209.04547	2.2
213.01898	2.6
214.02705	8.0
215.03487	18.9
225.05511	1.9
227.03465	4.3
229.01410	1.8
230.02184	3.2
241.01381	7.3
242.02283	9.7
243.02953	33.9
255.02977	9.2
257.00906	1.0
257.08170	6.6
258.01648	8.3
259.02509	6.1
269.00925	13.7
270.01645	2.9
271.02448	10.1
273.00467	1.7
275.06168	1.6
275.09235	31.2
276.09628	1.5
283.02393	4.0
286.01224	1.4
287.01828	4.1
293.12491	1.5
299.02042	2.6
300.02731	1.6
321.11084	1.4
355.06757	2.3
391.04514	1.5
408.05191	4.7
409.05649	2.1
419.04031	1.6
424.77332	1.2
435.09225	1.8
436.04422	2.1
437.05167	2.0
437.14728	22.3
438.15088	1.3
463.08798	7.8
464.20255	1.9
571.10883	8.1
581.22522	1.8
599.10388	100.0
599.28802	7.8
600.10834	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	599.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03197	0.7
57.03446	8.2
59.01370	1.4
61.69581	0.5
61.98814	3.0
66.67821	0.5
71.01370	3.8
72.13204	0.6
73.02935	0.9
81.07093	0.6
83.01368	0.6
85.02953	1.6
95.05022	1.4
99.08154	38.9
100.08487	0.5
101.02431	2.3
105.02837	0.6
105.03464	2.0
109.06556	1.3
109.70564	0.6
113.02451	1.6
123.04518	100.0
124.04855	2.5
127.07646	57.2
128.07967	1.2
129.05576	18.7
138.03209	1.5
149.02406	0.6
153.05568	61.0
154.05887	1.8
161.04562	4.9
171.06619	14.4
189.07666	3.6
285.09769	27.4
286.10269	0.8
302.26294	0.6
317.46307	0.6
439.16153	0.7
457.17102	63.0
458.17319	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	599.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09967	1.1
57.03449	7.7
59.01368	2.1
61.98826	4.2
71.01376	4.1
74.74528	1.4
85.02941	1.9
98.20703	2.2
99.08157	45.8
101.02433	2.4
104.60739	1.3
112.08173	1.1
113.02410	1.3
113.44928	1.1
123.04527	72.6
127.07658	50.1
128.07903	1.5
129.05582	55.1
153.05573	38.4
161.04579	3.4
167.03418	1.1
171.06616	9.9
171.94193	1.1
181.55322	1.3
189.07617	4.6
255.62900	1.3
285.09839	15.4
457.17154	100.0
458.17450	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	599.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
61.98830	15.3
62.63082	0.4
63.00939	0.5
71.01378	4.1
72.99311	0.5
73.02966	0.9
75.62194	0.5
77.29374	0.6
85.02956	1.2
85.53550	0.5
87.00880	0.9
89.02444	2.6
98.11167	0.4
101.02456	2.8
105.01962	0.4
105.58150	0.5
109.02953	0.9
113.02435	0.9
119.03515	0.8
119.05022	0.6
122.03707	0.6
143.87100	0.5
144.05846	1.0
146.03732	18.7
147.04475	2.0
156.05821	0.7
158.03780	1.2
159.04507	17.7
160.05302	6.8
161.04816	0.6
161.06059	3.4
163.03986	1.1
171.04561	0.8
172.05292	10.3
173.06042	4.1
174.01759	0.8
174.03090	1.0
174.06931	1.2
175.04007	0.7
181.19904	0.5
183.10260	0.4
184.05298	1.4
185.06078	1.5
186.06862	1.6
187.03999	30.1
187.07571	2.0
188.04781	33.6
189.05267	1.7
190.06349	1.6
197.06061	2.2
198.06822	1.5
199.07593	1.3
200.04765	0.6
200.08543	0.9
201.05585	1.5
205.05057	0.6
211.07719	0.7
212.04803	2.1
213.09258	0.7
225.12846	2.3
241.12407	1.7
241.15955	0.9
243.12180	0.8
251.10826	0.8
251.14359	1.2
253.09326	1.8
267.13895	2.1
269.11829	16.5
269.15399	5.6
270.12607	3.1
270.15225	0.6
283.13290	2.3
285.14926	9.4
287.12933	10.7
287.16202	0.8
287.19623	0.7
288.13385	0.7
295.13400	24.4
296.13760	1.8
297.15039	0.8
301.14493	1.5
303.16101	1.6
313.14447	95.2
314.14844	5.5
315.16010	1.5
316.13235	0.6
318.02527	0.6
331.15500	45.0
332.15854	3.0
333.17255	0.7
345.17017	1.1
367.35635	0.5
375.04581	0.5
387.18137	0.9
405.19150	2.2
407.20764	1.2
499.48669	0.5
511.21869	1.0
549.23639	3.0
552.22119	2.7
567.24445	100.0
568.24799	9.8
568.32874	1.0
599.27838	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	599.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65416	1.1
57.03445	1.1
59.01376	30.3
61.98825	33.6
62.72268	1.3
65.09049	1.0
65.86871	1.2
71.01373	16.4
71.50927	1.8
72.99290	1.5
73.02943	5.4
83.01372	1.7
85.02939	4.5
87.00894	2.5
88.98818	1.1
89.02438	9.4
95.01397	2.1
99.00871	2.8
101.02414	9.5
109.06587	1.8
111.00873	3.4
113.02422	8.2
119.03537	2.4
119.05040	1.7
122.03737	9.1
123.04547	6.0
125.02350	1.7
127.07633	15.3
129.05582	1.8
131.03517	1.2
133.06599	2.2
135.04507	3.9
136.05290	25.8
137.06108	2.5
138.03238	2.4
147.04503	2.8
148.05273	1.4
149.02448	1.3
149.06052	2.7
149.09712	3.7
150.03227	5.2
153.05556	2.9
159.03015	2.8
159.04466	3.1
160.05299	3.7
161.04616	2.6
161.06018	1.9
162.03227	2.2
162.06833	3.7
163.04034	3.5
164.04787	3.4
164.31915	1.2
171.06639	15.8
171.07947	2.4
171.10242	1.4
173.06107	3.1
174.06905	1.9
175.07635	2.2
179.03438	1.6
179.05559	1.6
188.04774	8.5
188.08417	2.4
201.05501	1.4
202.06366	2.2
209.11884	2.4
223.06158	1.5
223.13312	1.4
247.06139	1.4
253.09294	7.9
257.15466	3.7
259.16977	12.5
267.13931	3.5
269.12772	2.8
269.15448	4.7
285.14920	52.8
286.15323	3.9
287.16504	36.1
288.16824	2.5
295.13333	7.8
303.16003	34.1
304.16449	2.2
305.17563	9.4
313.14444	34.3
314.14758	3.1
315.15939	19.1
331.15472	55.6
332.15680	3.5
332.38388	1.2
333.17017	16.0
345.17078	2.9
405.19641	1.5
407.20718	63.9
408.21109	4.9
539.24744	5.2
567.24384	100.0
568.24762	10.1
599.19061	1.2
599.27197	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	599.3202
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
52.62501	1.3
54.80243	1.3
61.98814	4.1
65.25623	1.1
69.02085	1.1
71.49890	2.3
73.52808	1.3
78.95901	67.2
81.73190	1.4
86.95161	1.1
89.78248	1.4
91.98917	1.1
96.96955	15.7
102.66020	1.4
108.22407	1.4
150.97932	1.4
152.99579	60.1
180.23367	1.4
241.01164	29.8
276.38370	1.8
283.26398	68.0
284.26733	4.7
315.04825	8.3
351.13925	1.3
419.25702	6.6
476.57053	1.9
515.44232	1.6
599.31970	100.0
600.32074	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	599.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72390	20.6
59.01366	31.1
61.98821	100.0
90.05819	20.6
92.22552	21.7
209.11827	43.8
219.17744	19.9
223.30051	20.8
226.90382	21.1
250.29784	21.7
282.46289	21.7
289.17868	44.6
291.19742	31.5
347.64215	24.3
400.37277	20.6
526.84595	24.5
531.12866	26.1
599.17761	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95707	0.6
54.33991	0.6
59.01375	3.0
61.98831	100.0
69.51279	3.4
71.01385	1.1
94.99587	0.6
98.19943	0.6
101.02442	0.9
109.35194	0.5
123.04530	0.9
152.68449	0.6
154.38884	0.6
181.05109	0.9
208.00508	2.6
238.06505	0.6
402.08670	1.2
466.76834	0.6
467.67679	0.7
580.02405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87539	0.1
59.01384	0.3
61.98829	100.0
63.99257	0.2
69.29762	0.6
69.30192	0.8
80.34876	0.1
82.27022	0.2
86.15680	0.2
89.02460	0.2
101.02387	0.2
113.02447	0.2
133.76941	0.2
146.03741	0.2
150.03249	0.5
153.05641	0.2
165.01909	0.2
165.05574	0.2
179.07153	0.3
183.62302	0.1
195.06674	0.3
601.20972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
61.98825	100.0
64.33633	0.4
69.62903	0.9
69.63313	1.0
78.95876	0.3
188.51053	0.4
194.99303	0.4
201.97394	0.3
265.33301	0.3
474.63541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25326	17.5
66.69888	14.3
68.74275	14.9
69.63617	94.9
71.01915	12.9
75.38763	15.1
77.99638	14.6
81.01259	15.6
108.02135	56.2
109.02934	20.9
126.86563	15.7
136.05545	13.2
152.01147	26.7
153.01933	18.0
211.74133	16.2
315.07257	100.0
560.66449	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	601.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
57.15886	0.7
58.00593	1.4
59.01376	73.2
60.12709	0.6
61.98827	34.3
63.10775	0.7
63.99253	0.8
64.39549	0.7
68.20539	0.7
69.03471	0.8
69.30116	6.6
70.44481	0.7
70.95614	0.7
71.01379	36.0
72.99299	1.7
73.02943	5.6
81.07094	1.1
83.01366	2.2
85.02944	4.9
87.00875	2.4
89.02442	49.8
95.01387	2.2
97.15213	0.8
99.08157	1.3
101.02441	20.5
107.03557	0.7
109.06614	3.1
113.02444	17.1
119.03497	20.1
123.04523	1.6
125.02441	1.3
127.07620	3.1
129.05568	0.9
131.03503	2.9
138.03215	4.7
143.03494	6.5
149.04552	2.4
152.01042	0.8
153.05566	100.0
154.05884	2.4
161.04549	11.6
179.05600	61.1
180.05945	1.3
187.07603	0.9
219.96332	0.8
221.06656	1.7
241.08681	3.1
287.58246	0.8
289.12900	1.6
299.82596	0.7
333.11847	2.8
333.15643	2.5
403.13968	2.2
420.25357	0.8
541.63141	0.8
601.20551	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32861	1.2
57.03440	6.0
59.01378	36.1
61.98830	29.8
67.27966	1.2
69.40822	6.8
69.41237	2.7
71.01371	5.9
73.02980	1.7
78.91905	2.3
79.72821	1.3
80.91649	1.6
85.02967	3.5
89.02412	3.1
92.08448	1.2
99.08156	82.2
100.08469	1.4
101.02431	5.9
113.02427	2.0
115.00346	1.6
116.92849	2.9
119.03507	2.1
123.04498	4.8
127.07649	44.4
129.05582	70.1
143.07091	1.7
153.05568	13.7
161.08211	1.7
171.06631	18.3
185.11781	2.0
245.13965	1.5
249.08655	1.2
273.13422	100.0
274.13730	3.8
309.32504	1.5
318.20609	1.6
569.25061	2.8
601.26001	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	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03435	2.4
57.18174	0.5
58.00598	3.1
59.01381	48.3
61.98823	0.8
68.99795	0.7
69.03458	1.2
70.51470	1.1
70.51830	1.3
71.01383	49.7
72.01750	0.5
72.99297	3.1
73.02948	8.4
75.00873	1.7
78.95915	0.8
81.03457	0.6
83.01382	12.7
84.02143	0.6
85.02952	12.5
87.00877	52.1
89.02444	41.1
95.01387	4.9
97.02946	2.6
97.06578	0.9
99.00862	2.6
101.02444	27.2
111.00892	0.9
111.30944	0.6
113.02451	34.9
115.04020	1.6
117.01981	0.7
119.03501	11.3
125.02440	2.4
125.06075	0.7
129.01930	2.2
131.03532	3.0
139.07599	1.2
141.01927	3.0
143.03503	9.4
149.04552	0.8
152.99600	0.6
159.03035	1.0
161.04573	13.4
163.11069	0.6
171.64708	0.5
179.05611	18.5
205.15932	0.7
255.21080	0.8
261.22256	0.8
263.23840	0.8
273.22244	2.9
277.21716	100.0
278.22079	6.6
291.23306	24.0
292.23547	1.7
296.51639	0.6
301.21753	2.3
319.22711	7.9
323.06268	1.1
323.09842	14.0
324.10022	0.7
331.22916	0.9
341.10873	48.6
342.11191	2.0
349.23972	1.1
373.24020	0.9
601.31866	0.9
610.60223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82090	0.8
56.66687	0.8
59.01376	19.1
61.98820	1.6
62.28048	1.0
71.01366	5.1
71.42837	1.5
73.02930	1.2
78.95896	2.8
85.02943	2.1
89.02448	1.1
96.95985	1.3
96.96976	2.1
101.02440	4.0
113.02441	1.6
133.02972	1.8
135.72876	1.1
151.03979	1.0
152.99561	1.3
161.02454	3.5
161.04543	2.2
221.57841	1.1
263.11279	1.3
263.55853	1.1
264.83054	1.1
272.43201	0.9
277.21698	100.0
278.22043	7.9
281.12387	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	602.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39065	0.3
59.01364	0.4
61.98825	100.0
69.68465	1.6
71.01389	0.5
122.86902	0.3
144.83784	0.3
346.96594	0.3
366.39633	0.3
602.29279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49176	0.2
59.01374	0.5
61.98829	100.0
63.99239	0.3
71.01379	0.4
71.50593	0.3
71.80485	0.2
86.97016	0.2
101.02444	0.4
101.78657	0.2
136.52289	0.1
142.70880	0.2
146.80379	0.2
155.70172	0.2
178.02521	0.2
335.42072	0.2
602.34833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50876	0.6
56.47409	0.6
57.03451	2.0
58.00602	0.8
59.01380	36.3
61.98829	12.0
71.01385	22.7
71.05031	1.1
71.63194	0.8
72.99305	2.7
73.02949	3.0
75.00864	1.0
75.99049	0.6
83.01377	2.6
84.28651	0.6
85.02961	7.3
87.00864	1.6
89.02439	12.5
95.01388	1.8
101.02440	13.1
109.02956	2.0
109.06601	1.7
110.06142	0.9
110.97027	0.8
113.02449	6.9
113.06036	0.7
119.03506	3.4
119.05090	1.7
121.02926	1.7
127.07670	1.3
129.05571	0.9
130.08820	1.0
135.02943	1.1
135.04539	1.1
137.06084	7.0
138.06419	2.4
142.43047	0.7
147.04533	1.1
150.06854	0.8
153.05563	1.8
161.04608	1.6
165.12918	0.9
167.14406	11.4
174.11356	5.5
179.05653	0.8
181.05067	18.9
182.05399	7.7
203.45912	0.9
211.11504	1.3
211.13390	17.2
229.14404	10.4
241.08606	1.1
241.17969	3.8
254.17653	2.0
265.18005	2.0
272.18692	8.6
281.21188	3.3
283.19061	1.0
293.12189	1.4
299.22205	1.2
308.22241	1.5
325.20096	3.1
326.23267	1.3
336.16663	1.4
351.55896	0.9
420.15381	2.0
434.23880	10.7
435.23898	0.8
462.59955	1.0
488.28735	4.0
584.34259	4.3
602.35449	100.0
603.35938	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	602.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50876	0.6
56.47409	0.6
57.03451	2.0
58.00602	0.8
59.01380	36.3
61.98829	12.0
71.01385	22.7
71.05031	1.1
71.63194	0.8
72.99305	2.7
73.02949	3.0
75.00864	1.0
75.99049	0.6
83.01377	2.6
84.28651	0.6
85.02961	7.3
87.00864	1.6
89.02439	12.5
95.01388	1.8
101.02440	13.1
109.02956	2.0
109.06601	1.7
110.06142	0.9
110.97027	0.8
113.02449	6.9
113.06036	0.7
119.03506	3.4
119.05090	1.7
121.02926	1.7
127.07670	1.3
129.05571	0.9
130.08820	1.0
135.02943	1.1
135.04539	1.1
137.06084	7.0
138.06419	2.4
142.43047	0.7
147.04533	1.1
150.06854	0.8
153.05563	1.8
161.04608	1.6
165.12918	0.9
167.14406	11.4
174.11356	5.5
179.05653	0.8
181.05067	18.9
182.05399	7.7
203.45912	0.9
211.11504	1.3
211.13390	17.2
229.14404	10.4
241.08606	1.1
241.17969	3.8
254.17653	2.0
265.18005	2.0
272.18692	8.6
281.21188	3.3
283.19061	1.0
293.12189	1.4
299.22205	1.2
308.22241	1.5
325.20096	3.1
326.23267	1.3
336.16663	1.4
351.55896	0.9
420.15381	2.0
434.23880	10.7
435.23898	0.8
462.59955	1.0
488.28735	4.0
584.34259	4.3
602.35449	100.0
603.35938	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.80127	3.4
98.76294	1.2
139.96909	1.3
145.12183	1.2
178.02589	1.4
203.53545	1.2
406.53815	1.2
540.64172	1.3
550.80859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59659	0.8
54.08819	0.7
57.03450	4.5
59.01379	11.8
60.01749	0.8
61.98829	6.7
64.58663	0.9
69.23349	6.7
71.01392	5.0
72.99298	1.7
75.00883	0.8
81.45889	0.7
85.02940	2.3
85.48672	0.8
89.02449	1.3
90.07487	0.8
93.03477	0.9
95.05019	0.8
96.95975	1.1
98.20679	1.5
99.08151	11.2
101.02416	2.4
109.84613	0.7
113.02466	1.8
116.71147	0.8
117.03465	17.6
119.05036	9.7
123.04521	16.6
124.04871	1.4
127.07662	9.3
128.07983	1.0
129.04691	1.3
129.05580	13.0
133.96791	1.2
135.02983	1.0
145.02956	100.0
146.03299	2.2
147.04454	1.2
153.05551	3.1
159.11795	1.0
163.04001	8.4
171.06631	3.2
186.55771	0.7
187.03877	1.1
205.12311	1.5
208.68074	0.7
247.05923	1.0
253.09209	1.1
289.18146	2.1
297.83557	0.9
307.08286	15.2
308.08374	1.0
328.48889	0.8
328.69193	0.8
357.55817	0.8
369.50659	0.8
431.13452	80.4
432.13748	6.1
458.17270	1.6
459.17764	3.3
473.14392	3.8
603.20941	3.3
603.31726	0.8
611.47760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01814	1.7
59.01363	1.5
60.99305	6.7
70.30346	7.0
78.95901	2.3
81.91911	1.6
86.95722	1.9
88.00395	10.2
88.98799	43.5
89.02437	100.0
109.71720	1.7
110.13261	1.6
125.28007	2.1
189.07774	2.8
257.42798	1.7
277.21793	2.9
278.36990	1.8
295.68857	1.8
301.56686	1.8
448.27914	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
60.99305	5.0
64.58370	0.9
70.18140	4.1
84.59566	1.0
87.00858	3.7
88.00407	7.5
88.98798	28.9
89.02438	100.0
177.16060	1.0
207.40477	1.1
212.47180	1.0
277.21628	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59856	1.7
57.03444	5.0
57.77657	2.4
59.01380	40.8
61.98830	58.0
62.07613	2.0
71.01373	10.8
73.02943	3.2
81.03480	2.6
83.01376	3.8
87.00895	2.8
89.02453	8.6
91.17857	2.0
95.05012	2.9
97.03016	2.6
97.06614	3.5
99.08160	4.4
101.02442	8.4
113.02439	5.2
117.03458	8.8
117.04214	1.8
119.04997	6.8
123.04533	12.6
124.20901	2.0
125.09722	4.2
127.07654	3.8
135.08177	2.5
136.56535	2.2
137.09724	3.7
145.02956	41.2
161.04562	4.1
163.04013	15.6
163.11310	5.3
165.12834	2.7
175.02455	4.0
179.05727	2.6
185.11816	6.9
191.14407	8.8
205.12325	3.7
205.64363	1.8
207.10150	5.3
209.11800	17.1
225.11316	3.4
229.42719	2.9
245.19044	16.6
253.09253	33.9
289.18094	100.0
290.18518	4.7
307.08130	7.0
307.19162	66.7
308.19595	4.7
412.09845	2.3
431.13431	36.1
432.13721	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	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50295	3.6
55.01858	4.8
57.03432	5.2
59.01379	93.7
61.66776	4.6
61.98819	16.6
69.41553	30.8
71.01366	31.8
75.00854	4.9
79.67662	4.4
85.02953	5.2
89.02448	19.4
93.03436	6.4
97.06596	12.1
101.02441	20.0
102.63319	4.3
110.78570	3.8
113.02425	12.2
119.03533	4.5
120.85762	3.8
137.02446	6.3
151.11206	12.5
155.10820	7.0
161.04475	5.1
165.12898	22.0
176.01105	4.4
181.12346	13.0
191.10651	5.7
193.84935	4.1
209.11798	54.4
210.12260	4.2
211.13460	10.2
227.12877	14.3
245.19075	16.3
253.09210	44.9
263.20132	22.5
287.71173	4.0
289.18069	30.6
295.04486	7.5
307.19156	100.0
308.19440	10.6
309.20764	4.8
332.78662	4.0
432.40598	4.1
445.20691	18.2
460.19397	5.9
543.27759	14.2
603.35803	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	56.7
61.98824	3.7
69.03442	2.0
69.14962	11.4
69.15386	8.1
71.01382	13.3
73.02952	2.4
74.29098	1.6
75.00880	6.3
83.01363	4.0
83.05007	1.8
85.02930	3.7
89.02444	10.7
97.02917	2.4
97.06589	4.2
101.02448	12.7
101.41866	1.7
113.02436	7.1
119.83455	1.7
123.04500	2.0
125.09706	6.4
137.09660	3.6
145.02960	3.8
161.04549	4.9
163.11363	10.1
179.05638	2.0
180.76186	1.8
181.12315	2.3
185.11768	7.0
191.14409	13.1
205.12318	4.2
207.10182	3.9
209.11821	25.6
211.13449	2.6
216.91531	1.8
225.11330	3.4
237.11234	4.7
242.05049	1.9
245.19055	18.2
245.59256	1.8
253.09259	39.8
263.20197	4.4
268.69641	2.1
271.70294	2.3
289.18076	100.0
290.18417	5.2
307.19119	85.5
308.19412	4.7
325.20441	2.0
374.11826	2.1
438.02658	1.9
503.32175	4.0
535.21045	2.3
603.35846	2.2
625.44550	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01376	100.0
61.98823	4.6
69.32706	2.1
69.33121	4.8
72.19344	0.9
75.00867	3.3
78.95900	1.5
93.03470	1.0
98.20606	1.7
99.08141	2.1
115.00510	1.0
119.05036	1.2
123.04514	2.9
127.07645	1.3
129.05579	3.8
152.99568	2.6
189.07620	1.5
199.38698	0.9
199.90842	0.8
289.18085	3.8
307.19232	4.7
308.19662	0.9
338.51285	0.8
603.20996	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	604.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
60.01719	0.4
61.98831	100.0
71.01395	1.7
72.01727	0.4
73.02956	0.4
77.23379	0.3
85.02979	0.7
89.02441	0.5
99.08150	2.4
101.02449	0.7
113.02441	0.5
127.07664	3.1
129.05583	4.6
129.69423	0.3
136.40579	0.4
148.38554	0.4
148.92142	0.3
153.05553	1.8
161.04628	0.7
171.06660	1.2
204.03381	0.4
263.11420	0.7
288.39584	0.4
435.18704	10.3
436.19238	0.8
603.36627	0.4
604.36908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70427	0.3
59.01373	3.7
61.92191	0.2
61.98826	100.0
69.15843	1.6
69.16260	0.7
71.01380	1.9
73.02941	0.4
85.02953	0.6
87.00906	0.3
89.02424	1.4
91.78148	0.3
98.20692	0.5
101.02425	1.4
103.50623	0.3
110.72161	0.2
113.02457	1.1
114.02738	0.2
119.03543	0.8
127.07611	0.2
129.05640	0.4
134.05234	0.2
155.21819	0.3
161.04672	0.3
164.57564	0.2
224.82076	0.2
245.07152	0.2
250.58453	0.2
287.13629	0.3
308.22449	0.2
393.32718	0.2
435.50714	0.2
544.28833	0.7
557.41339	0.3
562.28931	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	604.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.97028	0.5
71.07701	1.3
82.26259	0.5
88.65160	0.5
118.57745	0.6
120.92387	0.6
125.42831	0.5
128.89871	0.6
176.40134	0.5
184.89836	0.5
256.21768	0.5
277.21793	1.1
319.72263	0.5
369.14960	0.6
529.22559	2.8
558.50592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33419	1.0
55.18921	1.0
59.01381	100.0
60.01692	1.4
61.98814	2.0
62.07346	1.2
69.03462	1.4
69.13269	12.4
71.01379	26.8
72.99324	1.5
73.02957	6.7
75.00863	2.5
83.01373	2.6
84.99298	2.9
85.02943	9.6
86.22296	1.2
87.00869	4.6
89.02435	12.2
93.03460	7.5
95.01366	2.7
96.96013	1.9
98.19866	2.1
99.00858	5.6
99.92580	9.2
101.02453	11.5
108.78936	1.1
111.00902	1.5
112.98816	93.9
113.02444	12.0
115.00385	9.8
116.92867	79.2
117.01932	4.1
117.03461	3.2
117.92861	3.2
119.03561	6.0
119.05039	20.7
121.02985	1.7
123.04545	2.1
129.01949	1.4
130.07202	1.1
133.01427	3.0
133.02971	1.9
135.04512	1.9
143.05002	6.2
145.02962	13.6
145.06541	1.4
150.03236	1.7
159.03015	1.2
159.04385	1.2
161.04570	12.8
161.05905	2.4
163.04022	16.5
165.05608	3.1
173.79907	1.3
179.05661	8.7
187.02457	1.4
187.03998	3.0
195.75966	1.2
196.16872	1.1
205.05054	1.8
210.06877	1.4
211.07645	26.0
212.08003	1.3
217.03534	2.2
221.06673	12.3
222.06937	1.7
223.07629	9.3
237.09167	9.4
239.10709	3.4
261.04190	1.4
261.43872	1.2
265.08716	8.7
283.09720	6.1
295.06555	1.4
309.07596	2.8
315.70694	1.1
325.09131	7.1
327.08749	42.5
328.09027	3.5
339.83215	1.1
369.09805	3.3
394.31973	1.5
399.09320	63.3
400.09558	3.8
429.11801	3.5
489.13870	3.3
605.24445	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	605.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39840	1.4
51.07388	1.3
58.53873	1.5
59.01382	27.6
60.25364	1.3
62.73613	1.4
64.10103	1.5
69.38442	5.9
69.38871	5.9
70.97101	1.4
71.01379	30.7
72.99282	1.7
73.02941	6.8
76.79980	1.5
83.01383	3.0
84.69595	1.9
85.02947	4.0
87.00880	2.4
89.02444	16.5
90.19912	1.6
93.03446	17.3
96.99316	3.0
101.02438	12.3
103.10617	1.8
109.25465	1.5
111.00867	2.3
113.02464	12.7
113.06023	1.9
115.00372	13.1
117.03457	6.7
119.03503	6.2
119.05023	43.4
123.04533	4.2
131.05052	2.2
133.01413	5.7
133.02916	1.9
133.06532	2.0
135.04558	2.5
139.04024	8.9
143.03484	2.2
143.05032	15.1
145.02954	39.8
145.06583	2.2
157.01392	2.4
161.04523	5.2
161.06017	3.3
163.04008	25.7
171.04544	1.5
179.05576	10.4
187.04027	4.1
210.06865	2.1
211.07646	19.6
223.07631	27.2
224.08224	2.4
235.07639	2.9
237.09216	41.4
238.09731	5.4
239.10779	9.3
253.08643	8.9
265.08838	18.0
274.33633	1.8
283.09741	23.9
295.06589	2.3
309.07596	6.5
325.09094	16.9
327.08719	100.0
328.09042	8.0
369.09711	9.4
399.10602	3.7
425.14429	5.2
429.11786	7.3
489.14182	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	605.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.2
61.98821	9.1
69.83120	9.5
71.01373	45.6
72.99290	3.4
73.02936	3.6
82.11002	1.6
83.01379	2.1
85.02941	6.1
87.00850	3.0
89.02435	25.9
93.03465	12.6
97.17637	1.7
99.00866	2.1
101.02422	11.2
113.02440	13.6
115.00365	22.2
117.03444	10.5
119.03600	11.4
119.05014	68.5
120.05319	3.0
123.04539	1.8
131.05048	1.7
133.01399	9.4
133.06592	2.8
135.04581	2.4
139.04005	2.9
143.03459	4.2
143.04968	7.2
143.74969	1.8
145.02931	79.0
145.06549	2.7
146.03259	2.8
148.78047	1.7
150.03157	4.9
157.01483	1.9
159.04460	2.8
161.04538	8.3
161.06111	4.7
163.03986	40.8
165.05563	5.6
179.05603	15.0
187.04005	9.8
205.04991	4.5
210.06827	7.1
211.07626	100.0
212.07906	5.1
213.73949	1.8
223.07619	36.8
224.08128	2.0
237.09204	30.1
238.09802	3.5
239.10771	9.0
249.14827	2.8
253.08685	4.4
265.08936	11.3
283.09772	16.8
295.06665	2.2
295.67926	1.6
309.07639	6.0
325.09100	37.9
326.09650	2.9
327.08685	76.1
328.09000	5.4
369.09698	11.0
399.10599	3.8
425.14267	2.2
429.11868	8.1
489.13873	9.8
621.65808	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	605.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.3
59.01379	5.7
59.48951	0.8
71.01378	7.5
71.50832	1.5
72.99315	1.1
73.02946	2.7
75.00874	2.0
77.03960	1.2
83.01384	1.0
85.02953	2.5
87.00900	2.0
89.02422	1.6
91.54251	0.8
95.04968	1.6
99.08158	34.7
101.02434	3.2
105.03423	1.4
113.02478	2.5
115.00401	2.4
119.03516	1.1
119.05035	5.0
123.04522	100.0
124.04864	2.7
127.07648	56.0
128.08029	1.3
129.05579	19.6
138.03172	1.0
138.46054	0.8
139.03987	0.9
143.03537	1.2
147.03014	2.0
153.05568	59.8
154.05986	1.2
161.04587	6.5
163.03973	3.7
165.04010	4.6
171.06645	12.5
189.07655	2.9
257.33032	0.9
285.09769	22.8
286.10016	1.6
327.08743	1.7
388.88113	0.8
397.53461	1.0
457.17163	33.6
458.17520	2.7
550.67517	0.8
605.20758	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	605.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86410	1.5
56.94900	1.6
57.03452	12.2
59.01382	18.3
61.51908	1.5
61.98817	5.6
69.47001	9.8
71.01386	10.7
72.99306	3.1
73.02948	3.9
75.00872	13.7
85.02952	5.5
87.00880	1.9
89.02425	2.5
90.76628	1.6
93.03452	1.7
95.05011	2.1
99.07569	2.8
99.08160	43.6
101.02439	5.4
105.03424	2.0
106.99895	1.8
109.31438	1.4
111.00882	3.0
113.02453	2.7
115.00368	3.5
119.03424	1.9
119.05009	3.4
123.04527	100.0
127.07655	54.2
129.01917	6.7
129.05580	22.1
136.99724	1.7
138.05595	2.3
147.02992	11.3
149.51926	1.6
153.05579	56.4
161.04570	5.3
162.09328	1.7
163.03978	3.6
165.04021	13.6
171.06586	10.3
189.07686	2.6
190.08736	3.7
207.05070	3.4
211.07686	1.8
266.10358	4.2
285.09824	17.0
307.95712	1.8
319.10330	3.3
327.08722	2.2
399.55145	1.9
457.17090	21.1
489.13901	1.6
545.25818	4.3
563.26764	4.1
571.48645	1.8
605.20825	58.1
606.21326	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	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.36889	0.4
51.70723	0.4
59.01382	3.1
61.74953	0.4
61.98840	4.3
65.11594	0.4
71.07920	0.4
71.08247	0.6
86.46760	0.4
90.78712	0.4
107.70778	0.5
277.21722	4.0
307.26300	0.6
394.11948	0.7
415.15652	0.9
428.16730	0.6
429.17142	0.7
430.18005	1.2
457.20285	1.9
459.17651	2.3
470.21497	0.5
471.18460	1.6
473.19690	4.5
475.21429	0.8
485.19006	3.2
486.20813	4.1
487.21576	1.1
496.19321	0.7
499.17477	2.3
501.23901	3.5
502.19391	0.5
511.21637	2.5
513.19366	2.3
514.20032	8.2
515.20331	1.0
517.18982	1.3
518.19598	1.7
528.22046	0.6
529.22455	100.0
530.22791	10.7
532.20978	2.2
533.21674	1.8
561.24994	1.0
573.21332	0.7
574.44611	0.5
605.23938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14186	0.6
59.01366	2.3
61.14653	0.5
61.98804	0.6
65.93732	0.5
71.01387	1.9
71.50683	0.8
73.02926	1.0
79.95734	6.0
85.02939	0.7
87.21890	0.5
89.02444	0.7
91.31192	0.5
95.95244	1.2
96.96008	80.2
99.60020	0.5
101.02454	0.6
113.02486	0.9
114.40842	0.5
124.27834	0.5
152.36440	0.5
153.05696	0.5
211.07715	1.0
263.13168	5.8
281.14285	2.5
398.88159	0.5
443.19513	3.2
487.25659	0.6
605.24811	100.0
606.25024	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51995	1.3
59.01374	2.7
60.99303	7.5
61.98817	2.0
70.91541	1.4
83.58487	1.3
87.00879	3.7
88.00412	9.2
88.01244	1.6
88.98807	35.6
89.02442	100.0
133.44960	1.3
139.16856	1.3
197.07008	1.2
277.44720	1.3
279.23117	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09974	6.4
59.01374	48.3
60.06865	5.5
61.98820	51.9
71.01392	13.6
71.26743	11.4
72.61784	6.2
72.99286	6.3
77.08709	5.6
83.52209	5.3
85.02941	8.6
86.14698	5.4
87.00896	9.4
89.02425	10.2
101.02413	10.3
113.02466	7.2
118.96932	6.2
126.07980	6.7
128.51102	7.2
141.63435	5.5
144.69307	6.3
147.04489	9.7
165.12883	6.8
175.02495	7.8
197.11830	16.3
253.09258	39.5
263.20187	6.4
286.37842	6.9
291.19678	66.7
309.20688	100.0
310.20963	7.5
317.16248	6.8
500.29907	6.9
561.42859	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	73.0
60.22642	8.5
61.98829	98.3
63.83697	8.5
69.18406	34.1
69.18827	46.6
71.01380	19.8
83.01408	9.1
83.14333	7.8
84.35931	8.1
86.47176	8.0
92.83891	9.0
101.02423	19.7
146.15019	8.5
146.16385	10.5
153.10954	7.9
168.61894	7.4
169.12332	11.8
178.49574	7.7
196.55206	8.3
197.11775	50.0
199.93475	7.1
212.94002	9.0
253.09218	45.6
291.19504	23.1
309.20709	100.0
545.29633	8.9
605.34161	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.02470	7.8
61.98830	60.0
63.95916	8.0
63.97472	8.7
71.01371	22.2
89.02449	25.2
101.02432	20.4
123.92201	9.4
156.86417	9.1
164.40933	9.6
168.33122	8.4
211.31520	8.2
229.47244	9.2
253.09244	35.2
259.92068	9.0
262.65240	9.0
291.19537	40.4
309.20709	90.9
364.70508	8.9
561.32635	13.5
605.33099	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	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53755	2.8
59.01378	82.9
69.03484	3.9
70.67683	7.5
71.01379	31.5
73.02933	8.4
83.01385	6.6
85.02940	12.3
87.00881	2.8
89.02445	10.1
101.02450	19.8
113.02422	9.2
119.03484	4.4
125.02432	2.6
127.18620	2.9
135.03015	3.1
143.03487	6.2
161.04523	4.3
201.14929	2.7
227.16583	3.7
229.18140	3.1
258.23352	2.8
315.83414	3.0
357.26346	7.3
362.19073	5.8
389.21793	8.1
453.28174	3.1
483.29211	4.3
501.30667	100.0
502.30695	9.9
519.31763	31.9
520.32104	5.8
561.32660	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.7
61.98828	22.8
66.96561	3.0
71.01363	14.1
71.51013	4.4
72.99274	3.7
73.02937	5.0
75.00865	32.6
79.92614	2.9
87.00911	4.0
89.02464	9.9
96.95998	3.1
100.28395	3.0
101.02452	6.5
111.29961	2.5
113.02441	8.9
147.04507	4.8
151.11287	3.6
161.04529	3.8
165.12816	9.8
183.13831	2.7
191.10785	4.5
203.03328	7.2
209.11813	34.5
227.12947	3.3
244.18681	2.8
247.20641	8.1
253.09253	36.2
265.21802	7.4
273.18591	3.4
287.49258	2.8
291.19635	56.0
292.20135	3.1
309.20679	100.0
310.21069	7.2
376.86334	2.6
425.22314	3.1
426.64709	3.0
431.27689	3.6
445.20724	3.2
451.53586	3.0
472.38974	3.4
508.20395	3.3
545.29980	5.0
592.41235	3.5
594.96844	3.0
605.18890	3.0
605.33728	5.1
606.85565	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	605.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01263	1.5
51.40976	1.4
59.01376	100.0
61.98819	4.4
63.46103	1.4
78.85245	1.4
78.95892	2.3
93.65144	1.7
95.05010	4.2
96.95997	1.6
120.05772	1.5
123.04516	75.2
124.04791	2.1
125.31797	1.5
127.93472	1.6
152.99574	2.0
196.90799	1.6
238.52170	1.6
277.21695	54.3
278.21863	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	605.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01717	0.6
65.24308	0.2
65.71664	0.2
69.15406	0.9
69.15831	1.3
71.01371	0.3
77.03956	1.1
93.03464	0.4
95.05016	2.8
98.19844	0.5
105.03433	1.2
121.02902	0.4
123.04514	74.0
124.04836	1.8
128.45148	0.3
149.02417	1.0
159.34676	0.2
164.99281	0.2
172.90854	0.3
253.39438	0.2
277.21695	1.2
291.23456	0.3
341.71805	0.2
513.22778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32058	0.7
59.01379	76.3
60.01696	0.9
64.57681	0.7
69.35162	2.0
69.35579	3.2
71.01353	0.9
98.20661	1.2
100.65449	0.7
253.33315	0.6
277.21710	100.0
278.22061	5.4
345.45313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98831	47.3
69.82995	12.2
69.83388	11.5
71.01368	15.0
85.02940	11.0
101.02417	9.3
106.53620	4.5
113.02489	7.8
128.77826	5.3
146.53625	4.6
173.41129	5.2
237.78654	4.9
297.74005	5.0
307.16995	5.1
309.20605	13.3
467.29785	11.1
485.31207	29.2
503.32358	25.5
545.33435	5.3
559.00043	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98819	2.4
68.34065	0.7
69.90176	3.5
71.16346	0.7
76.76871	0.6
77.68168	0.6
78.95898	26.0
88.00385	0.8
88.98807	2.1
93.03463	3.3
94.14378	0.7
96.96956	7.0
134.04732	2.8
150.10469	2.0
151.11317	0.8
152.59781	0.8
163.11281	1.3
165.12830	25.9
168.21910	0.7
175.78389	0.7
176.12082	0.8
177.12752	0.8
189.12894	0.7
191.14455	0.9
244.10811	8.6
247.20616	13.0
273.18570	7.0
291.19632	100.0
292.19983	5.8
313.17822	23.7
314.18137	1.1
346.05527	17.4
370.39880	0.8
424.15192	0.7
446.23578	0.8
605.38232	31.6
606.28033	1.2
606.38611	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	605.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
61.98817	5.5
71.01376	2.6
71.50175	1.7
71.50571	1.4
89.02422	2.3
92.90358	1.1
101.02433	3.0
104.23222	1.1
105.57639	1.2
127.66810	1.1
158.37224	1.1
181.54433	1.4
184.16988	1.2
187.00546	1.3
197.78076	1.3
235.08250	1.6
237.83487	1.1
253.09277	12.7
279.09802	1.2
309.27963	100.0
310.28357	7.6
337.66345	1.1
378.35107	1.4
451.43423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
61.98828	100.0
71.01391	0.5
71.50507	0.7
83.01382	0.5
99.13527	0.4
101.11897	0.4
104.56238	0.4
118.51770	0.5
149.52647	0.5
203.03246	2.6
204.03551	0.7
259.47336	0.5
266.24838	0.5
283.18811	0.4
299.07751	0.5
315.23349	0.4
363.12296	1.0
607.23871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98827	100.0
69.34866	1.4
71.01395	0.3
92.42244	0.2
256.01654	0.2
299.86108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98828	100.0
65.59981	0.2
65.62868	0.2
67.92706	0.2
68.95502	0.2
69.24261	0.7
69.24686	1.3
84.22704	0.2
219.70450	0.2
284.59781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77464	0.3
58.83046	0.2
59.01382	2.5
61.98828	100.0
71.01371	0.8
71.50278	0.3
83.01421	0.2
84.06471	0.2
85.02959	0.3
101.02464	0.8
108.90340	0.3
113.02460	0.4
113.78381	0.3
116.92927	0.3
175.02534	0.3
277.37787	0.3
285.41055	0.2
294.17093	0.2
434.08600	0.3
511.82077	0.2
606.34387	0.2
607.32092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77037	0.2
59.01376	0.8
59.50479	0.2
60.90831	0.2
61.98827	100.0
69.32015	1.4
71.01389	0.5
98.19897	0.4
100.37634	0.2
163.35481	0.2
175.02458	0.3
274.20984	0.2
405.87790	0.2
519.50482	0.2
532.61481	0.2
606.29504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87839	0.8
57.67150	0.7
61.98827	100.0
71.50323	0.9
71.50760	1.1
76.22176	0.7
76.59794	0.7
108.87433	0.7
125.67627	0.8
239.82033	0.8
417.06287	0.9
426.12192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82952	0.4
59.01373	1.6
61.98824	1.2
62.32630	0.4
65.52141	0.4
67.20769	0.4
71.01379	1.6
71.05881	0.7
72.88906	0.3
73.02956	0.4
78.69521	0.3
82.47405	0.4
85.02945	1.1
87.00877	0.6
89.02458	0.6
93.03481	0.6
101.02440	1.1
113.02453	0.7
114.57080	0.4
115.00378	0.6
117.03479	2.0
119.05018	51.4
120.05375	1.2
121.02896	0.6
133.01489	0.7
135.04491	0.5
140.75505	0.4
145.02936	1.7
163.03996	100.0
164.04350	3.4
226.06235	1.9
241.08742	3.0
269.24289	0.5
283.09732	69.2
284.10098	3.9
320.61517	0.4
445.14990	35.0
446.15454	2.9
607.21411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79057	0.4
59.01368	1.9
60.99285	0.4
61.98817	1.3
65.98859	0.4
71.01389	1.6
71.50647	0.4
85.02954	0.6
86.62603	0.4
101.02447	1.0
109.89890	0.4
115.00381	0.9
117.03445	1.9
119.05024	49.8
120.05371	1.4
133.01407	0.9
133.06616	0.5
135.04497	0.7
145.02983	1.8
163.04002	100.0
164.04361	3.1
198.71785	0.4
226.06358	2.1
241.08598	2.9
283.09741	69.8
284.10083	4.6
445.15021	31.3
446.15112	3.2
607.21039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
57.03427	1.0
59.01379	13.6
61.98808	1.4
69.03422	0.6
71.01379	11.9
71.50643	0.7
72.01697	0.3
72.83999	0.4
72.99304	0.8
73.02932	0.7
75.00866	0.8
81.03445	0.9
83.01373	1.4
85.02951	7.5
87.00835	0.7
89.02440	3.6
93.03455	0.8
95.01353	1.0
97.02940	1.6
99.00872	9.1
101.02438	3.7
109.02950	0.9
113.02441	9.9
115.03986	0.6
119.03542	2.0
123.04506	0.6
125.02453	2.9
127.07682	0.5
129.05679	0.4
131.03505	0.4
135.02983	2.4
137.02406	2.1
143.03494	6.8
151.03947	0.4
153.05605	0.4
155.03517	1.2
161.04536	2.3
161.13397	0.9
163.04001	0.4
167.03448	0.4
169.06558	1.5
179.03239	0.3
179.05611	1.4
182.07314	2.8
185.04582	0.5
197.06042	1.6
198.06831	10.9
199.07230	0.4
203.05600	1.2
205.12477	0.3
209.06024	0.9
225.05534	3.3
226.06332	83.4
227.06807	3.5
229.42511	0.3
241.08684	100.0
242.09016	5.5
287.07809	0.3
312.74814	0.3
323.09805	1.0
329.82446	0.3
365.10745	2.5
450.68509	0.4
503.31979	0.8
547.31372	0.4
607.23828	0.7
607.37689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10921	3.7
57.03455	6.8
59.01377	100.0
61.98827	93.0
65.76687	3.8
71.01371	41.0
72.99298	5.1
73.02946	12.6
75.00873	21.4
80.96516	8.0
83.01375	7.8
85.02962	21.4
86.00205	4.8
87.00887	5.3
89.02482	8.8
101.02431	22.3
101.05640	3.2
108.20427	3.6
113.02436	16.5
125.02448	6.3
132.63222	4.1
135.03000	53.9
143.03595	5.7
153.05563	4.1
155.80743	3.8
161.04546	9.1
179.14822	3.9
185.15442	3.5
226.06281	5.4
241.08701	14.0
332.59137	3.6
351.10846	3.4
359.27914	4.5
415.27332	4.3
433.28098	4.9
442.54901	4.0
503.32291	65.8
504.32422	5.3
521.33307	28.2
563.34692	5.6
607.23920	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.8
59.01381	100.0
61.98833	14.7
70.34177	3.2
70.34514	6.9
71.01385	40.6
73.02950	6.1
75.00869	5.2
76.49075	2.8
83.01382	9.0
85.02957	14.1
87.00877	5.2
88.98800	3.4
89.02464	17.5
91.51908	2.4
95.01366	6.1
99.00871	4.2
99.08130	2.9
101.02448	23.8
105.49350	3.1
113.02448	19.7
115.92144	2.5
119.03531	6.7
123.04519	9.9
125.02422	3.1
129.05551	3.8
135.02983	19.6
152.10043	2.7
153.05554	10.6
157.12305	7.7
161.04549	8.2
183.13928	3.2
226.06343	6.2
241.08664	10.8
244.98459	2.9
253.05045	11.3
256.31827	2.8
319.17703	3.5
344.92932	2.8
359.27930	5.5
435.18735	3.1
491.18802	5.5
503.32190	82.1
504.32413	10.1
521.33173	37.9
563.34607	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43834	0.3
59.01374	62.5
62.94880	0.3
69.76101	1.1
69.76518	1.0
101.02469	0.4
148.71317	0.4
153.55392	0.4
161.04518	0.6
165.12975	0.4
279.23257	100.0
280.23624	5.1
372.41876	0.4
447.73090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04837	0.4
59.01376	100.0
60.01725	0.7
61.98824	1.2
69.40530	0.4
70.91760	0.6
70.92163	0.5
77.03943	0.8
88.00405	1.4
88.98815	3.8
89.02444	9.6
95.05020	3.5
105.03454	1.2
121.02953	0.8
123.04517	72.7
124.04842	1.7
149.02464	0.9
175.47885	0.5
195.42532	0.4
255.70984	0.4
277.21640	0.6
279.23309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06766	1.6
55.01869	2.2
55.83371	1.8
56.21998	1.7
57.03437	1.9
59.01377	68.1
61.98828	100.0
71.01395	12.7
73.02945	3.9
74.35162	1.5
83.01379	2.0
85.02945	8.7
89.02441	3.7
98.19955	4.0
99.00851	1.8
101.02432	8.1
104.20316	1.6
113.02448	7.3
143.03474	2.7
161.04535	4.2
221.06598	1.8
397.85681	1.8
415.31613	1.9
487.32639	36.4
488.33353	3.7
505.33820	14.2
547.34631	6.0
607.27252	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	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38929	0.2
51.66491	0.2
57.03453	0.2
57.09188	0.2
57.46697	0.2
59.01376	3.7
59.20465	0.2
61.98827	100.0
62.98533	0.3
71.01389	0.8
71.50455	0.3
73.02975	0.2
80.96544	0.3
85.02948	0.4
87.00904	0.2
89.02450	0.2
99.08146	0.2
101.02457	0.4
113.02428	0.3
123.04507	0.4
127.07655	0.3
147.04324	0.2
153.05579	0.3
161.04581	0.3
208.47163	0.2
211.13402	0.3
231.29405	0.2
237.83791	0.2
255.03137	0.2
262.82715	0.2
283.02542	0.6
285.04028	0.3
447.09183	0.3
488.33511	0.6
506.34549	0.3
564.35040	0.4
609.26257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98826	100.0
66.93860	0.3
69.43992	2.2
78.91898	0.7
78.95922	0.4
98.20733	0.4
148.44365	0.3
152.99571	0.7
153.05530	0.3
183.86792	0.4
255.03061	1.2
283.02414	3.0
285.04001	2.1
293.21289	0.4
446.08585	0.6
447.08951	1.6
609.14581	1.2
609.26331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
88.97530	0.4
228.31911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.01805	0.2
61.98825	100.0
69.54092	0.8
69.54496	0.3
70.28438	0.2
98.20654	0.3
143.13329	0.2
173.11610	0.2
196.84724	0.2
277.21759	0.5
278.22110	1.0
279.22549	0.6
280.22717	0.4
532.76544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12733	0.2
59.01374	2.3
60.01714	0.2
61.98826	100.0
70.65459	0.2
71.21510	0.2
74.58914	0.2
78.95916	0.6
79.26955	0.2
103.19757	0.2
107.86478	0.2
123.04488	1.3
124.04888	0.6
146.44771	0.2
152.99600	0.8
177.62119	0.2
194.95961	0.2
283.02637	0.3
285.04031	0.3
406.18210	0.2
447.09427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61232	0.9
50.75959	0.8
61.98828	100.0
69.44469	6.8
121.20982	0.8
135.97934	1.0
226.05309	0.9
255.02945	2.1
283.02475	3.2
285.04013	2.9
447.09296	2.0
490.07327	1.0
609.14215	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	609.1251
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
59.01370	8.8
60.99295	1.2
61.98826	12.4
62.09369	0.8
63.02386	1.0
69.18031	8.3
69.18440	1.4
71.01387	6.4
72.99298	1.2
73.02927	1.1
75.24905	0.9
83.01373	2.0
85.02940	2.4
87.00880	1.6
88.98804	12.5
89.02445	4.8
93.03439	1.7
99.00883	1.2
101.02430	4.3
107.01366	3.7
109.02951	1.2
113.02444	3.4
121.02885	1.2
123.04522	2.1
125.02438	3.2
127.07648	2.3
129.05577	6.9
133.02963	13.6
134.03690	1.1
135.00920	2.1
135.04535	22.7
137.02467	1.0
145.02898	1.3
146.39209	1.0
146.48087	1.0
149.05923	1.2
151.00354	8.0
153.05507	2.2
157.06596	1.1
159.04472	1.9
160.01936	0.9
161.02434	36.8
161.04462	1.7
162.02892	1.3
163.00351	3.2
163.03969	1.5
169.01424	2.1
169.06680	1.0
177.05565	2.1
179.03497	14.8
179.05092	1.2
179.05701	1.1
181.05049	2.2
185.06082	3.0
187.04027	2.8
197.06081	1.2
203.03458	2.2
211.04077	2.0
211.13405	11.6
213.05489	2.8
221.04434	2.9
221.06435	0.9
227.03467	20.4
228.04039	1.5
229.05025	8.8
235.08145	1.1
239.03462	1.3
241.05040	2.1
243.02998	1.8
255.02971	41.3
256.03592	5.0
257.04520	6.5
267.02792	1.1
267.06577	1.1
271.02423	7.2
280.06076	1.2
283.02545	6.0
284.03244	34.9
285.04010	90.3
286.04294	3.3
286.07245	3.5
300.02744	11.0
301.03442	4.3
305.14984	2.1
323.07651	23.8
324.08060	2.0
341.10120	4.4
385.14197	1.1
397.13531	7.4
415.14114	2.7
447.09280	6.4
459.32138	1.1
463.08932	4.9
500.21582	1.0
609.12378	100.0
609.28656	2.7
610.12524	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	609.1456
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01373	2.6
65.00341	0.6
69.80049	1.6
71.01374	1.0
75.68052	0.4
83.01376	0.8
89.02434	1.1
93.03468	0.9
93.74330	0.5
97.24945	0.4
99.23243	0.5
101.02434	0.6
107.01385	1.1
113.02451	1.1
115.78428	0.4
116.09811	0.4
117.03443	1.0
122.77361	0.4
127.74876	0.5
133.02953	0.5
151.00346	2.2
155.04994	0.5
159.04504	0.7
167.04884	0.5
169.06580	0.7
171.04489	0.8
183.04514	3.1
187.03984	0.8
191.27078	0.4
210.03065	0.5
211.04054	2.8
213.05569	0.8
215.03467	0.5
227.03461	6.9
229.04944	0.7
239.03429	0.8
244.95589	0.5
255.02975	48.7
256.03561	2.6
257.04532	0.7
267.07291	3.8
267.09760	0.8
281.04404	0.6
283.02460	100.0
284.03143	14.7
285.04028	81.3
286.04333	3.9
297.04068	1.7
298.04547	0.5
307.05966	0.5
327.05093	4.3
351.04559	0.4
369.06268	0.5
380.51611	0.5
428.50998	0.5
446.02191	0.8
446.08484	18.4
447.09262	60.9
448.09451	3.8
489.10516	4.8
513.09949	0.5
549.25470	1.0
609.14545	45.9
610.15112	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	609.1455
Annotation	Cyanin
Peak:m/z	Relative Intensity
58.52610	0.7
65.00340	0.8
69.96457	2.2
69.96849	1.5
71.09750	0.7
79.45100	0.7
80.52937	0.7
93.03442	0.7
107.01363	1.0
108.88626	0.7
111.46335	0.8
114.74120	0.8
128.20869	0.7
129.02452	0.9
138.62842	0.7
151.00352	1.5
159.04558	1.0
171.04555	0.8
173.06169	0.8
182.77451	0.8
183.04498	3.2
185.06047	1.0
187.04037	0.8
211.03978	1.8
215.03401	0.7
227.03487	8.8
255.02980	50.0
256.03647	1.4
283.02466	100.0
284.03159	13.2
285.04028	81.4
286.04456	3.8
297.03973	1.7
305.55524	0.9
327.05063	3.3
350.43515	0.8
446.08481	16.1
447.09283	58.2
448.09619	4.6
467.15189	0.8
489.10251	4.0
490.10251	0.9
527.92902	0.9
531.11505	0.8
597.49524	0.8
609.14563	44.2
610.14990	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	609.1454
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01372	1.5
61.98836	0.7
62.43631	0.5
63.02399	1.1
65.00316	0.9
69.42321	0.7
69.42727	3.4
83.01379	1.0
88.98799	0.8
89.02392	0.6
93.03469	1.9
98.20666	1.1
100.12775	0.6
107.01378	2.6
108.02175	1.0
109.02943	1.4
113.02379	0.7
117.03464	0.6
119.01391	0.6
121.02959	1.2
132.02170	1.0
135.00899	1.9
148.01703	0.9
151.00374	6.1
153.01968	0.8
157.06454	0.6
159.04495	1.5
163.00368	2.8
164.01122	0.6
165.01871	1.1
167.04932	0.6
169.06560	1.9
171.04454	1.1
173.05972	0.6
178.99869	2.5
183.04504	0.9
185.06078	2.3
187.04005	3.6
189.05472	1.3
190.99870	0.6
195.04552	0.7
197.06093	0.9
199.04031	1.8
201.05565	0.8
211.04033	3.7
212.04515	0.7
213.05528	2.1
226.02672	0.7
227.03473	29.0
228.03915	1.4
229.05028	11.8
239.03488	1.6
240.04332	1.3
241.05029	1.5
243.02950	4.3
245.04488	0.6
254.02296	0.5
255.02966	56.6
256.03577	5.3
257.04507	7.6
267.03049	1.0
271.02435	18.4
272.02933	1.2
283.02481	4.2
283.05417	0.8
284.03232	46.3
285.04010	94.8
286.04352	4.0
300.02713	30.6
301.03400	12.9
327.05087	1.6
343.04190	0.6
349.34814	0.6
447.09158	1.9
516.27704	0.7
521.82727	0.5
549.25940	0.9
609.14520	100.0
610.14862	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	609.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01371	1.3
61.98826	1.2
69.62681	1.9
71.01376	1.8
85.02975	0.9
85.96680	0.3
89.02453	0.3
90.49001	0.3
93.03460	0.8
98.19907	0.7
101.02406	0.7
107.05025	1.1
112.74442	0.4
113.02487	0.8
115.00392	0.6
117.03464	0.7
119.05022	8.4
121.02972	0.9
123.04507	0.6
133.02962	3.3
133.54663	0.4
134.03740	7.1
135.04517	61.1
136.04851	1.5
136.79576	0.3
137.02426	3.2
139.03996	0.7
151.00403	0.6
161.02432	2.2
161.04568	0.5
161.77875	0.3
161.79257	0.3
163.03990	12.4
164.04382	0.5
171.20657	0.4
178.02750	0.9
179.03482	100.0
180.03839	3.2
180.59763	0.4
187.04024	0.5
189.05974	0.3
225.72993	0.4
227.03523	2.2
229.05013	0.7
255.02983	4.6
256.03629	0.5
257.04553	0.8
269.04413	0.4
271.02261	0.8
283.02438	2.3
284.03235	3.4
285.04065	9.3
285.07675	12.4
286.04559	0.7
286.08041	1.0
300.02753	1.5
301.03528	0.7
325.09183	1.0
340.12131	0.4
341.08780	2.9
401.10696	0.5
409.14957	2.5
411.15808	0.5
447.12979	52.8
448.13419	4.3
609.14307	5.9
610.14417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61594	1.1
55.11501	1.1
57.03434	1.5
59.01383	12.7
71.01383	16.5
71.49447	1.6
72.99316	2.3
75.00871	5.7
82.62379	1.2
85.02953	10.5
87.00883	9.3
89.02446	8.8
95.01372	2.1
95.17715	1.1
99.00860	2.2
101.02436	2.3
105.01942	2.0
113.02440	18.1
118.91270	1.3
119.03463	1.8
151.00366	1.9
175.02487	1.9
182.87280	1.2
183.04500	3.2
185.02530	1.3
187.03941	1.2
211.03964	1.7
227.03540	6.7
249.06079	1.4
255.02994	35.2
256.03275	3.2
267.07208	100.0
268.07489	4.2
283.02478	79.9
284.03125	13.8
285.04047	66.6
286.04367	4.1
327.05078	2.8
446.08505	12.2
447.09262	48.1
448.09601	4.1
489.10138	2.8
609.14557	33.4
609.24103	2.4
610.14862	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	609.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43872	2.1
57.03444	2.1
58.00595	2.2
59.01377	91.2
70.99113	3.5
70.99434	2.7
71.01377	47.0
73.02931	3.9
77.81640	2.0
83.01385	2.6
85.02942	12.3
87.00874	4.0
89.02441	41.9
95.01365	3.2
101.02444	26.5
102.02780	2.1
112.58061	1.9
113.02449	16.6
119.03490	21.1
131.03525	2.6
143.03487	3.6
151.00404	3.0
161.04523	5.4
163.69069	2.0
176.16850	2.3
176.74316	2.2
179.05569	9.8
183.04388	2.7
186.13867	2.4
227.03519	5.9
255.02956	26.7
256.03467	2.6
263.27335	2.6
283.02472	51.6
284.03088	8.2
285.04025	42.5
286.04388	2.7
371.55789	2.4
387.20331	4.5
446.08215	9.7
447.09195	27.6
448.09412	3.8
476.06470	2.3
549.25482	100.0
550.25671	9.8
609.14661	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
59.01378	100.0
60.26629	2.3
60.99293	10.0
61.98540	3.2
61.98830	40.6
70.85564	5.6
71.01379	45.6
72.99292	5.7
73.02940	8.7
75.00824	2.5
80.67494	2.4
83.01365	7.2
85.02950	16.5
87.00870	8.7
88.98801	52.6
89.02431	17.5
95.01376	3.9
99.00858	3.3
101.02432	28.1
113.02434	17.0
116.60487	2.1
119.03528	6.8
119.39806	2.2
123.04505	5.2
125.02425	6.4
137.02441	28.9
143.03487	3.7
153.05614	3.8
161.04488	3.4
163.03947	2.8
211.13496	2.4
228.07896	62.5
243.10237	52.6
244.10777	3.6
255.02972	10.0
255.06891	3.0
283.02460	14.1
284.02988	2.9
285.03983	13.2
286.07202	9.3
308.76031	3.3
361.29657	12.8
395.69598	2.7
405.15564	4.7
429.24857	4.2
446.08313	2.9
447.09482	9.1
447.16473	12.3
447.25906	15.3
469.31659	2.8
505.33859	68.5
506.33978	9.9
523.34857	32.2
524.35089	3.6
565.36023	10.2
609.14709	6.3
609.31287	98.3
610.31799	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
59.01378	100.0
60.26629	2.3
60.99293	10.0
61.98540	3.2
61.98830	40.6
70.85564	5.6
71.01379	45.6
72.99292	5.7
73.02940	8.7
75.00824	2.5
80.67494	2.4
83.01365	7.2
85.02950	16.5
87.00870	8.7
88.98801	52.6
89.02431	17.5
95.01376	3.9
99.00858	3.3
101.02432	28.1
113.02434	17.0
116.60487	2.1
119.03528	6.8
119.39806	2.2
123.04505	5.2
125.02425	6.4
137.02441	28.9
143.03487	3.7
153.05614	3.8
161.04488	3.4
163.03947	2.8
211.13496	2.4
228.07896	62.5
243.10237	52.6
244.10777	3.6
255.02972	10.0
255.06891	3.0
283.02460	14.1
284.02988	2.9
285.03983	13.2
286.07202	9.3
308.76031	3.3
361.29657	12.8
395.69598	2.7
405.15564	4.7
429.24857	4.2
446.08313	2.9
447.09482	9.1
447.16473	12.3
447.25906	15.3
469.31659	2.8
505.33859	68.5
506.33978	9.9
523.34857	32.2
524.35089	3.6
565.36023	10.2
609.14709	6.3
609.31287	98.3
610.31799	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	609.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70867	0.7
58.69931	0.6
59.01348	1.2
61.98816	2.0
65.05131	0.6
71.05947	1.5
71.40727	0.6
95.05022	30.5
96.05367	0.7
119.48254	0.7
150.02968	1.3
166.45966	0.8
189.05389	1.5
195.13849	9.7
196.14647	1.1
205.12341	1.6
211.13374	1.1
223.13332	7.3
246.12299	13.1
255.02985	2.9
256.13062	1.2
275.20053	4.4
278.11322	68.6
279.11700	2.8
283.02472	5.8
284.03073	0.9
285.04007	4.8
293.21201	100.0
294.21503	6.2
315.19379	29.5
316.19763	2.1
404.78018	0.7
446.08075	1.1
447.09232	3.6
460.50220	0.9
535.30469	0.8
556.12018	0.7
572.31500	1.1
609.14600	2.7
609.41418	12.3
610.41473	1.8
637.20782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91198	11.2
61.98828	40.0
63.47366	9.1
68.99586	64.9
92.97915	10.1
97.50288	9.8
112.98572	70.3
163.47691	13.9
255.02956	30.0
279.23267	100.0
283.02542	37.1
285.04138	31.3
429.61096	11.6
446.08450	13.2
447.09201	28.9
609.14661	24.7
622.71057	11.4
631.77264	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	610.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98825	100.0
63.04910	1.9
69.23559	15.4
71.01377	54.4
72.99297	8.8
96.99294	5.5
98.20602	3.9
99.00887	2.1
113.02422	2.1
115.00363	93.5
117.03456	4.7
119.05027	13.4
123.04514	73.4
133.01443	9.0
145.02919	6.9
161.04565	3.5
163.03998	9.6
176.19302	2.3
179.03435	2.5
198.38586	1.8
227.03391	3.5
255.02937	4.3
256.03244	1.9
275.19077	1.8
277.05664	2.7
279.04932	2.3
281.08020	1.9
284.03195	4.3
285.03903	8.8
285.09665	4.3
286.04315	9.8
311.04636	1.7
383.09781	83.6
384.09857	4.0
401.10837	66.1
402.11053	5.5
547.14435	17.3
548.14429	2.5
610.15179	6.6
611.13983	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	610.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	21.7
61.98831	100.0
62.22728	4.8
71.01379	42.1
71.50636	7.6
72.99297	7.7
74.02462	7.0
77.12962	5.3
85.55328	4.2
101.02431	7.7
115.00361	56.4
119.05022	11.1
119.26534	4.8
123.04523	47.5
133.01450	8.1
145.02939	8.3
152.09184	5.2
163.04060	6.2
249.48154	5.1
255.02910	5.5
283.02646	7.7
284.02817	11.9
285.03772	13.6
286.04428	14.7
383.09790	47.8
401.10944	48.3
448.09708	10.4
547.14349	14.5
610.15912	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	610.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98830	100.0
71.01389	0.7
113.09671	0.3
153.05591	0.5
207.05704	0.3
241.08673	0.5
256.03384	0.4
283.02478	0.7
284.02972	0.9
285.04031	0.5
286.04324	0.7
297.50568	0.3
314.19006	0.4
448.09756	0.6
610.36768	0.5
611.37537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
61.98828	100.0
71.01377	1.3
71.50378	0.5
78.95897	0.9
82.61963	0.4
85.02932	0.6
96.97009	0.4
97.52913	0.4
101.02427	1.1
112.46869	0.4
115.26578	0.4
119.05000	0.6
126.49962	0.4
135.04498	0.4
152.99562	0.8
211.13411	0.6
221.90479	0.5
255.03108	1.4
283.02542	1.7
284.02899	0.9
285.03976	0.9
286.04526	1.2
294.21619	0.6
315.05206	0.7
342.23520	0.7
447.09518	0.5
448.09839	1.1
475.89450	0.5
522.12061	0.4
610.15015	0.9
610.27136	0.8
610.37286	0.6
611.38031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68258	0.2
59.01377	1.3
60.01729	0.3
61.98826	100.0
64.18921	0.2
71.50658	0.3
78.95904	0.3
82.08226	0.2
83.91878	0.2
86.49840	0.3
88.83709	0.3
123.04550	0.5
167.82042	0.2
255.23183	0.3
277.21741	0.9
278.22202	0.3
279.23303	0.5
280.23700	1.0
281.24155	0.5
283.02280	0.3
284.02798	0.3
516.98566	0.3
610.13940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.2
61.98831	100.0
69.21591	12.1
78.95906	4.9
105.33707	1.3
123.04493	3.9
124.04864	1.3
139.17984	1.3
152.99576	4.4
161.89278	1.3
210.53697	1.2
224.64627	1.2
255.03026	1.9
255.23268	1.2
284.02762	2.3
285.03699	2.3
286.04138	1.4
448.09903	2.3
489.75314	1.5
538.18500	1.3
610.15320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81741	0.6
57.03436	0.6
59.01377	3.5
61.98833	3.2
69.08115	0.6
71.01364	1.2
71.05320	1.5
75.66498	0.5
78.95901	52.7
80.91680	11.0
85.02983	0.7
86.01576	0.7
89.02448	1.2
95.05003	1.2
96.96956	9.5
101.02402	1.0
113.09721	2.0
152.99579	61.0
171.00591	1.4
171.29556	0.7
177.12799	0.7
195.13875	16.9
223.00098	6.5
241.01154	20.8
253.09280	3.3
259.02292	1.5
275.06708	1.3
277.21692	12.7
278.11316	1.8
285.03064	0.8
293.21191	7.9
295.22766	53.4
296.23074	3.4
315.04800	9.3
315.19379	2.0
375.21649	0.7
564.77606	0.8
611.28302	100.0
612.28571	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	611.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40892	0.7
59.01365	2.2
61.98829	62.0
62.98527	1.7
62.99272	0.9
63.98985	0.9
63.99254	10.4
70.18666	2.7
74.29975	0.8
76.94413	0.8
78.95898	1.2
79.97716	0.7
95.61410	0.7
98.20509	1.3
98.34751	0.8
127.07638	1.6
152.99553	1.1
171.06685	0.8
277.21704	100.0
278.22052	5.8
413.26953	45.2
414.27362	4.0
449.91177	0.8
575.32233	10.8
576.32355	1.8
611.32904	1.2
633.45282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03437	1.0
58.00586	0.9
59.01377	24.6
69.03459	0.7
71.01379	17.9
71.10424	0.6
71.10744	0.8
72.99305	1.6
73.02930	2.7
83.01389	2.7
85.02946	5.8
86.00086	0.8
87.00874	1.0
89.02444	8.2
95.01382	1.4
99.00867	0.8
99.08157	1.1
101.02445	11.9
113.02438	5.2
119.03487	2.6
127.07660	0.6
129.05591	2.6
130.05885	1.2
131.06047	0.5
161.04565	0.8
179.05527	0.5
181.12326	1.4
189.07668	4.4
190.08026	2.9
191.08127	1.2
196.06433	0.5
225.11317	0.7
239.20018	0.5
241.21677	0.8
269.21201	0.7
287.22336	1.7
431.26471	2.8
449.27533	19.4
450.27823	1.5
453.83939	0.5
503.28867	0.7
593.32068	0.7
611.32764	100.0
612.33069	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	612.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02029	0.8
59.01384	9.9
61.98834	100.0
71.01379	13.2
71.48992	1.6
72.00919	6.7
73.02950	1.1
75.00889	0.8
79.54207	0.9
83.01376	1.5
85.02949	7.1
87.00892	2.7
89.02454	10.3
93.03448	1.1
95.01414	1.4
95.04998	1.0
96.96004	1.1
97.02938	1.7
99.00887	3.8
101.02438	9.9
103.05543	1.0
108.02177	9.4
109.02962	4.2
111.00840	1.2
113.02435	7.9
114.05637	1.1
115.00350	1.0
119.03491	3.8
119.05005	3.6
121.02958	4.1
123.04529	13.0
125.02449	3.7
129.63275	0.9
131.03493	1.6
143.03487	4.3
147.04536	27.4
152.01172	10.8
153.01949	3.8
161.04570	9.8
164.07173	53.8
165.01897	1.2
165.07526	1.6
175.02551	2.3
179.05659	4.4
181.05029	3.4
182.05318	1.3
221.06688	6.4
245.06700	4.6
255.02962	4.9
255.07031	1.1
256.03397	4.3
257.03525	2.8
258.03735	1.4
260.72488	1.0
263.07764	5.0
283.02441	7.3
284.02856	12.9
285.03427	9.9
286.04221	11.0
287.04825	6.1
287.07581	1.4
288.04901	4.2
305.08728	2.2
313.09061	1.1
315.07239	19.4
315.16806	1.3
323.09824	23.3
343.10440	1.3
344.10672	2.4
345.11432	0.9
447.09515	1.5
447.15057	7.5
448.09650	5.0
449.09781	6.9
450.10181	9.5
480.96777	1.0
490.60718	0.9
612.15424	15.0
613.15558	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	612.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.63014	0.2
61.98832	100.0
69.64813	0.7
69.65224	0.5
72.92748	0.2
78.09612	0.2
83.01414	0.2
96.25307	0.2
101.80998	0.2
103.88720	0.2
105.64506	0.2
119.05030	0.3
121.02966	0.5
135.04527	0.9
136.04861	0.5
139.04092	0.3
161.27921	0.2
181.05074	0.3
235.02563	0.4
255.03008	0.5
256.03412	0.4
258.03857	0.3
283.02499	1.0
284.02917	1.3
285.03687	1.1
286.04291	1.1
287.04611	0.8
288.04810	0.4
343.10330	0.3
343.88553	0.2
344.10767	0.4
371.07922	0.4
372.08163	1.0
401.08942	0.2
402.09198	0.7
448.09698	0.5
449.09952	0.7
450.10251	0.9
492.11743	0.5
552.26514	0.3
612.15662	2.0
613.17371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
72.62592	0.2
76.37640	0.2
98.20670	0.5
104.78742	0.2
118.13606	0.2
123.63638	0.2
123.64491	0.2
177.02112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98831	100.0
70.84554	0.3
70.84894	0.5
72.17093	0.2
91.61543	0.3
119.05013	1.7
120.05358	0.5
121.02962	2.0
122.03342	0.6
124.66854	0.2
126.54959	0.3
151.00371	0.3
169.06593	0.3
181.05147	1.1
182.05440	0.8
184.04918	0.2
210.11751	0.2
211.04089	0.3
212.04424	0.3
227.03697	0.5
228.03914	0.5
255.02989	2.5
256.03342	2.7
257.03580	2.0
258.03757	1.8
283.02457	3.7
284.02850	6.4
285.03488	6.1
286.04233	6.0
287.04541	4.5
288.04913	2.7
329.05746	0.3
330.05701	0.2
343.10580	0.8
344.10864	0.9
447.09113	1.2
448.09604	2.8
449.09644	4.2
450.10138	6.1
450.16348	0.3
451.10468	0.3
492.11285	0.4
612.15454	7.3
613.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56251	0.3
59.01371	0.7
61.98828	100.0
67.65795	0.3
71.01380	0.4
101.83527	0.2
107.01339	0.3
119.05048	1.0
121.02955	1.4
125.02446	0.5
126.02838	0.3
135.04535	2.7
136.04924	0.8
137.02351	0.3
151.00409	0.4
158.35477	0.3
167.03539	0.4
170.29047	0.3
181.05219	0.3
193.01344	0.3
204.71820	0.3
218.04378	0.3
223.02580	0.3
235.02527	0.4
256.03366	0.5
265.03607	0.7
283.02472	0.6
284.02972	1.1
285.03854	0.8
286.04037	0.9
287.04871	0.5
288.05493	0.4
323.75693	0.3
343.10291	0.3
344.10770	0.5
350.69174	0.3
371.07886	0.9
372.08020	1.9
402.09216	1.8
432.10117	0.4
448.09760	0.4
449.10049	0.6
450.10046	0.6
492.12573	0.9
612.15851	2.1
613.15515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.7
61.98830	37.1
62.98533	0.6
69.44334	2.2
69.44762	2.7
71.01375	1.9
85.02954	1.9
89.02428	0.6
95.01365	1.0
99.00867	0.7
101.02486	1.0
102.37253	0.6
108.02172	56.2
109.02975	15.9
113.02441	1.0
118.96532	0.7
121.02962	1.2
123.00876	1.2
123.04514	0.9
137.02371	0.8
151.04056	1.2
151.87823	0.6
152.01152	47.6
153.01933	17.0
163.03966	1.3
165.01891	1.7
175.02408	1.3
179.98338	0.6
181.05089	1.2
225.04001	0.7
245.04103	0.8
284.02850	0.8
285.03040	0.8
287.04547	0.8
315.07211	100.0
316.07629	5.2
525.07544	0.7
552.77856	0.7
613.15857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2324
Annotation	C11829
Peak:m/z	Relative Intensity
53.48995	0.9
55.82645	0.9
57.24117	0.8
57.24403	0.8
59.01376	1.1
61.98808	1.8
71.01370	2.9
71.50796	1.2
72.99289	0.9
78.95908	3.0
84.23022	0.9
96.95994	2.4
96.96953	1.9
98.95596	1.9
98.97390	1.0
99.00877	7.1
99.91917	1.1
99.92580	25.1
100.93340	5.2
115.92072	100.0
116.92076	4.6
116.92847	34.6
126.94963	1.0
132.92366	0.9
138.02542	0.7
138.37988	0.7
141.93637	1.6
142.94397	1.7
156.95952	1.9
170.93915	2.0
184.95500	1.7
224.94894	1.3
226.96461	4.8
242.96031	1.5
244.97470	1.8
265.71887	0.8
275.89706	0.9
277.21655	4.4
278.98074	1.5
298.98630	3.2
304.58044	1.0
316.99655	1.1
335.00595	1.9
362.19998	0.9
375.12302	0.9
393.13751	3.9
393.24667	0.8
398.33585	0.8
435.18304	3.6
504.18036	2.6
577.21191	8.1
595.22113	3.2
613.23181	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	613.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45466	0.6
55.01878	0.9
57.03448	0.7
58.00596	0.9
59.01377	31.0
61.98828	14.7
66.00182	0.5
69.19141	0.5
69.37753	3.8
71.01379	18.5
72.01769	0.4
72.99303	1.6
73.02938	1.6
75.00865	0.5
83.01382	2.0
85.02957	4.3
87.00894	0.9
88.98789	0.9
89.02440	17.2
95.01408	1.3
96.96024	1.4
99.00879	1.2
99.08156	0.9
101.02441	11.5
107.36411	0.5
112.98803	2.7
113.02442	6.9
119.03495	7.0
119.05016	1.1
121.10234	3.1
123.04550	2.9
123.05269	0.5
127.07644	1.7
129.05569	2.0
131.03525	0.6
143.03438	0.8
145.01454	0.6
153.05554	1.4
161.04547	1.1
163.03969	1.3
165.09224	3.4
171.06496	0.9
173.83450	0.5
179.05560	1.2
183.10233	1.2
195.08154	0.9
197.09691	2.1
213.12820	0.6
239.03426	0.6
241.08711	8.0
257.11737	5.0
283.02609	0.6
301.10822	4.5
302.10977	0.6
315.95062	0.5
345.15512	100.0
346.15753	5.1
419.04205	3.5
443.89178	0.5
451.06705	2.0
457.16776	0.6
581.09485	0.7
595.29449	0.7
613.11060	1.0
613.19946	1.7
613.31012	4.0
614.31354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45466	0.6
55.01878	0.9
57.03448	0.7
58.00596	0.9
59.01377	31.0
61.98828	14.7
66.00182	0.5
69.19141	0.5
69.37753	3.8
71.01379	18.5
72.01769	0.4
72.99303	1.6
73.02938	1.6
75.00865	0.5
83.01382	2.0
85.02957	4.3
87.00894	0.9
88.98789	0.9
89.02440	17.2
95.01408	1.3
96.96024	1.4
99.00879	1.2
99.08156	0.9
101.02441	11.5
107.36411	0.5
112.98803	2.7
113.02442	6.9
119.03495	7.0
119.05016	1.1
121.10234	3.1
123.04550	2.9
123.05269	0.5
127.07644	1.7
129.05569	2.0
131.03525	0.6
143.03438	0.8
145.01454	0.6
153.05554	1.4
161.04547	1.1
163.03969	1.3
165.09224	3.4
171.06496	0.9
173.83450	0.5
179.05560	1.2
183.10233	1.2
195.08154	0.9
197.09691	2.1
213.12820	0.6
239.03426	0.6
241.08711	8.0
257.11737	5.0
283.02609	0.6
301.10822	4.5
302.10977	0.6
315.95062	0.5
345.15512	100.0
346.15753	5.1
419.04205	3.5
443.89178	0.5
451.06705	2.0
457.16776	0.6
581.09485	0.7
595.29449	0.7
613.11060	1.0
613.19946	1.7
613.31012	4.0
614.31354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69360	8.0
59.01381	17.7
59.91934	9.7
61.98821	40.3
63.70855	8.9
70.01943	17.8
70.02326	38.0
78.95887	11.1
85.02959	9.0
110.59766	8.5
123.04539	12.1
171.10240	54.0
223.13380	38.3
291.19608	27.6
309.20615	100.0
365.17984	10.0
613.28320	37.0
613.39624	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	1.5
102.51403	1.1
108.91033	1.3
134.57455	1.0
172.69006	1.3
195.45621	1.1
225.62857	1.2
229.90759	1.2
279.23260	100.0
280.23639	5.7
287.19238	1.3
341.53271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67158	0.2
54.25528	0.2
59.01385	0.5
61.98829	100.0
68.54329	0.2
70.78383	0.4
71.01395	0.4
75.00877	0.4
85.02947	0.3
89.02408	0.2
100.74339	0.2
114.76182	0.2
121.02946	0.3
171.33882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.6
59.01384	5.1
61.98841	6.1
67.74081	1.2
71.01401	5.1
71.59807	1.0
73.02959	2.1
85.02942	3.0
87.00884	2.5
89.02487	1.0
95.04988	1.3
99.08162	47.4
101.02449	2.2
109.06606	1.6
113.02450	3.4
115.00371	3.6
116.28062	1.1
123.04529	100.0
124.04874	1.4
127.07660	62.9
129.05594	21.3
149.02357	1.5
153.05579	59.8
154.05917	1.5
154.10538	1.1
158.53661	1.1
161.04588	7.4
163.67479	1.1
171.06628	12.9
175.02470	4.4
185.09538	1.0
189.07677	2.4
285.09790	22.9
457.17154	65.1
458.17355	5.0
536.30273	1.2
565.92236	1.2
615.18970	3.1
639.11047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84726	4.3
50.99815	4.2
61.98825	9.4
66.91777	5.7
69.42668	31.7
71.01362	13.2
79.51126	4.1
85.02932	6.9
87.04641	4.9
91.07287	5.0
101.02484	6.1
104.29523	5.2
108.02144	5.9
113.02437	6.6
122.03738	100.0
123.04478	15.5
125.85824	4.4
143.69980	5.0
157.62099	4.6
161.04527	16.6
165.05490	6.0
167.03526	12.1
233.65483	5.0
291.43887	4.8
329.08719	56.1
343.74808	5.4
572.31128	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	615.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60922	0.3
59.01377	1.6
60.21689	0.4
61.98829	100.0
71.01371	0.8
88.98817	0.8
93.03484	0.6
98.89796	0.4
101.02478	0.6
103.53143	0.4
119.13661	0.4
135.08200	1.4
137.02480	1.3
142.73552	0.4
153.49095	0.4
182.32327	0.4
229.75067	0.6
265.56296	0.4
272.77826	0.4
328.98865	0.5
453.13669	1.2
615.20020	0.5
615.40338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98825	18.7
64.87647	1.1
69.17957	4.4
69.18384	6.7
71.01383	10.6
72.99311	2.0
73.02948	12.8
83.01395	6.6
85.02953	2.0
87.00873	4.8
89.02453	2.2
95.01331	1.1
96.35754	1.1
99.00868	3.9
100.01651	4.6
101.02429	9.7
111.00861	9.4
113.02439	3.4
113.99583	42.5
115.00388	18.9
128.01129	4.1
131.03474	1.2
139.00356	4.3
147.04333	1.1
149.04523	1.1
156.00644	48.1
157.01303	3.8
161.04553	3.6
162.03206	1.2
174.01682	100.0
175.02444	6.0
183.60603	1.2
185.49199	1.1
287.16464	4.1
375.81964	1.2
471.22162	1.9
509.23770	2.6
511.21771	9.3
512.11438	1.3
614.35516	1.3
615.34802	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	616.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98826	11.9
66.72433	0.3
69.20840	1.3
69.21274	1.6
71.01376	1.2
73.02910	0.3
83.01369	0.5
85.02939	0.7
88.67529	0.3
89.02428	0.4
92.05054	27.5
93.03448	1.0
93.05372	0.7
93.11462	0.3
101.02441	0.7
113.02451	0.7
119.05054	0.5
123.04570	0.6
130.08807	0.5
136.04034	100.0
137.04358	2.4
147.04443	0.4
161.04567	0.7
163.04001	0.6
171.10262	0.7
198.09254	0.9
209.11844	0.5
242.08208	35.8
243.08504	1.8
277.29874	0.3
298.09320	8.8
299.09760	0.5
348.12372	1.4
404.13428	1.7
466.19022	0.3
509.18140	0.8
510.17975	2.4
616.22986	0.9
617.20514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62498	1.6
61.98826	100.0
71.04411	4.1
78.95896	2.9
80.85177	1.5
84.62503	1.7
104.32656	1.9
116.33230	1.7
152.99548	1.9
169.48776	1.7
179.10732	2.2
197.11731	2.2
255.23254	2.9
553.37433	6.7
594.07098	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	617.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63095	0.8
59.01377	100.0
60.01707	1.3
60.64640	1.0
61.00398	0.8
61.98840	4.2
69.14340	0.8
69.24994	6.1
69.25405	1.7
77.71284	0.9
90.97144	1.3
115.02513	5.9
117.00468	6.0
118.96646	0.9
123.01122	1.0
123.94807	0.9
132.98199	5.4
135.18819	0.8
141.00417	1.0
159.01485	62.7
160.01656	3.6
174.99236	37.5
192.95859	4.7
201.02554	12.2
217.00278	88.0
218.00609	2.2
232.98308	2.3
248.96011	1.0
256.98135	1.0
258.52402	0.8
259.01651	1.6
274.99283	4.7
290.97205	5.1
301.02625	26.8
302.02820	3.4
317.00388	64.1
318.00549	3.6
332.98199	23.7
359.01462	4.9
374.99207	35.1
375.99475	1.6
390.97122	2.1
456.98547	1.4
459.01523	5.0
460.68271	0.8
474.99298	29.2
475.99579	2.0
490.96588	1.5
514.97192	2.4
555.00659	1.4
556.98303	36.9
557.98254	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	617.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79227	2.7
55.94056	3.2
61.98824	7.8
62.29384	3.5
67.09595	3.1
69.70652	5.0
69.71063	12.2
71.01395	3.3
96.96017	4.1
113.02386	3.2
115.00378	3.4
119.05016	5.1
121.02885	3.5
137.32018	3.2
163.03941	3.2
213.05524	12.8
241.05019	77.7
242.05682	14.2
255.06560	5.8
256.07355	57.7
257.08096	28.6
284.98181	3.1
317.94864	3.4
419.13409	100.0
420.13748	6.5
445.15262	4.2
617.16388	18.3
618.16467	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	617.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55165	0.6
57.03434	0.8
59.01380	5.0
61.98839	4.6
71.01385	3.2
71.50352	1.0
72.99296	1.1
81.03446	2.7
83.01373	1.7
85.02912	1.0
89.02433	1.1
101.02434	2.0
103.25127	0.6
103.72870	0.6
109.02945	0.8
113.02429	1.2
115.00347	0.9
121.02944	0.9
122.03735	2.8
123.04530	1.6
125.02413	6.0
127.07612	0.9
139.03973	1.0
143.03532	0.5
145.02939	0.7
147.08255	0.8
149.02423	1.2
151.00320	1.2
153.05548	0.9
156.05811	1.0
161.04521	0.8
167.03406	0.7
169.06613	0.8
171.08133	1.5
173.06079	2.1
179.03337	0.8
185.09758	0.7
189.09300	0.7
195.08200	1.1
213.09187	21.3
214.09377	0.8
239.07072	1.8
253.08797	0.8
255.06680	2.9
257.08182	100.0
258.08542	5.2
263.07025	1.0
271.09637	1.6
281.08154	14.3
291.17020	0.6
299.09204	7.7
311.09198	1.9
371.35919	0.7
419.13437	75.4
420.13782	5.6
469.23010	0.7
573.15405	0.7
603.65167	0.7
617.31732	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	617.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41654	0.8
59.01375	3.1
60.99303	16.1
61.98830	7.3
63.99292	0.9
87.00856	1.6
88.00397	3.7
88.98801	100.0
89.02440	28.7
89.99169	1.0
101.21852	0.8
233.45590	0.8
240.08755	0.8
241.39256	0.9
340.31412	0.8
351.16360	0.9
437.95584	1.0
617.31982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3174
Annotation	Guangomide A
Peak:m/z	Relative Intensity
54.59158	0.3
55.01858	1.1
57.03434	1.1
58.00580	1.7
59.01379	24.9
61.98819	1.6
69.03455	0.8
69.16288	3.2
69.16712	0.8
71.01379	23.6
72.99298	1.4
73.02946	6.3
75.00861	0.5
75.33902	0.4
76.02586	0.4
81.56375	0.4
83.01372	2.5
85.02459	0.6
85.02949	8.0
86.00087	1.0
87.00876	4.2
89.02444	12.6
95.01364	1.7
97.02933	1.2
99.00883	1.2
101.02438	17.8
113.02451	7.8
119.03495	4.7
125.02422	0.8
131.03511	3.9
143.03481	1.0
159.02951	0.6
161.04555	6.0
171.10223	1.8
179.05569	2.4
189.07677	0.6
191.81828	0.4
206.00853	0.4
209.11690	0.7
220.12576	0.4
221.06645	4.5
223.16986	2.4
275.20065	1.6
277.21695	0.8
293.21213	2.6
455.26624	3.1
573.32458	0.4
599.31067	0.4
617.31720	100.0
618.31952	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	618.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.36578	0.8
69.18502	4.1
69.18928	2.8
78.95928	1.4
81.81476	0.8
120.50394	0.7
166.50696	0.7
500.52264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.8
61.98807	3.6
68.32100	1.1
71.01367	3.0
71.50531	1.6
73.48272	1.0
88.62553	1.1
89.02426	1.7
93.03426	1.7
94.57147	1.1
101.02445	1.9
109.02943	5.1
109.06554	3.3
115.13832	1.0
119.05009	3.8
121.02931	5.1
135.04498	5.1
137.06076	24.7
140.30023	1.1
143.73856	1.2
144.86305	1.0
150.98969	1.2
153.05489	3.5
166.20003	1.2
181.05060	100.0
182.05409	2.8
252.09471	1.3
343.09756	3.0
371.09500	2.2
386.11899	5.6
401.13931	4.2
414.43451	1.4
439.15796	1.5
618.32013	3.4
619.22565	2.4
619.31982	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	619.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93016	0.2
59.01375	2.7
70.85675	0.2
70.86009	0.4
71.01374	2.2
79.05540	0.5
81.07092	3.9
81.07545	0.3
83.05024	1.3
85.02941	0.4
89.02442	2.5
93.03461	0.3
94.04241	0.7
95.05036	0.5
101.02435	1.0
105.03439	0.3
109.06583	5.2
109.07277	0.4
110.06916	0.2
110.68175	0.2
113.02441	0.7
119.03484	0.7
121.02946	0.5
123.04520	17.2
125.06056	0.4
127.07647	12.0
128.07982	0.3
138.03227	7.5
138.30899	0.2
143.03542	0.3
153.05569	100.0
154.05911	2.7
161.04556	1.0
171.06624	11.8
172.06953	0.5
179.05644	1.3
262.17657	0.2
277.06064	0.2
285.09653	0.3
439.16046	37.9
440.16373	3.6
619.22430	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	619.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93106	1.8
53.88921	1.5
55.01873	2.9
58.00586	4.7
59.01375	100.0
69.43466	5.9
69.43887	5.8
71.01376	61.4
72.99326	2.3
73.02934	2.1
77.86343	1.8
81.07085	3.6
83.01366	3.0
83.96375	1.6
84.89974	1.5
85.02949	9.2
86.49284	1.5
87.00871	2.8
89.02439	89.2
95.01372	3.1
101.02431	22.7
109.06534	3.1
113.02447	22.3
119.03500	34.6
123.04527	8.6
127.07670	7.9
127.08454	1.8
131.03502	3.8
138.03180	4.5
143.03520	7.6
149.04526	2.8
153.05573	77.3
154.05960	2.2
161.04607	11.3
171.06517	2.8
179.05583	53.3
183.50461	1.8
259.51746	1.6
285.09793	1.8
351.12936	4.0
439.15958	4.0
452.21442	1.9
619.22284	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	619.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48309	1.4
57.03445	15.9
59.01374	23.7
65.53255	1.2
68.72745	1.2
69.24976	11.2
71.01373	28.6
73.02939	4.6
75.21744	1.3
80.45668	1.4
83.01402	2.9
85.02940	15.0
87.00858	2.2
89.02428	20.0
95.01371	1.7
99.00871	11.3
99.08155	50.9
101.02436	21.6
104.27070	1.2
113.02444	23.0
119.03506	8.4
123.04523	12.0
125.02439	3.0
126.19144	1.3
127.07647	32.0
129.05576	100.0
137.02504	1.4
141.17030	1.5
143.03476	5.9
153.05553	5.7
159.02927	1.7
161.04538	22.0
170.83507	1.2
171.06631	7.3
179.05569	5.5
189.07677	6.8
203.05573	1.6
221.06810	2.5
242.65736	1.5
245.06706	1.5
257.08197	2.2
323.09796	98.7
324.10117	5.1
447.15109	14.3
477.58926	1.3
601.21442	3.1
619.22375	84.0
620.22882	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	619.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25985	0.2
59.01374	2.2
71.01392	1.8
77.03939	0.2
79.05520	0.4
81.07091	4.0
83.05025	1.0
85.02943	0.5
89.02444	2.4
93.03478	0.4
94.04242	0.4
95.05037	0.4
98.20654	0.7
101.02464	1.1
105.03461	0.5
109.06583	5.4
109.07281	0.4
113.02447	0.7
119.03515	0.8
121.02987	0.3
123.04517	17.0
124.04768	0.6
125.06174	0.3
127.07645	12.1
127.31598	0.2
128.07956	0.3
138.03221	6.6
139.03569	0.3
153.05563	100.0
154.05927	2.6
161.04547	1.0
171.06615	12.5
176.20578	0.2
179.05614	1.1
215.22418	0.2
285.09830	0.7
439.16046	40.1
440.16287	4.4
619.22333	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	619.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.9
57.03452	1.6
58.00598	4.3
59.01381	93.4
60.01714	0.7
60.23030	0.6
61.98822	3.1
63.22406	0.6
64.89790	0.6
66.79819	0.5
71.01382	59.0
72.01733	0.8
72.99303	5.4
73.02934	1.6
81.07108	1.7
83.01390	1.9
85.02957	9.8
85.03460	0.7
87.00872	4.7
89.02445	98.5
90.02787	1.6
95.01395	4.2
96.95963	0.8
98.19814	1.1
99.08101	0.7
99.46342	0.6
101.02446	31.4
109.06580	3.7
111.00834	0.7
113.02453	24.7
115.04020	0.7
119.03506	38.0
123.04530	9.8
125.02457	0.8
127.07656	11.0
129.05595	0.9
131.03502	4.5
135.03053	1.0
138.03226	5.1
141.81223	0.6
143.03517	9.4
149.04523	4.1
153.05576	100.0
154.05957	3.1
161.04562	13.5
171.06616	4.6
179.05609	67.6
180.05960	1.7
187.26796	0.7
248.31636	0.6
285.09894	2.9
303.31589	0.6
351.12967	4.4
439.16019	5.7
440.16537	0.9
598.84869	0.7
602.58972	0.7
619.22540	6.7
620.22125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
55.04074	0.7
57.03448	1.0
58.00587	3.8
59.01373	100.0
59.44970	0.7
60.01720	1.2
71.01376	59.5
72.99303	3.6
73.02947	1.3
75.00870	0.9
81.07095	1.4
83.01393	2.7
83.05003	1.1
85.02945	9.8
87.00882	2.5
89.02436	95.5
90.02768	1.6
95.01408	3.0
99.00922	0.7
101.02430	28.6
109.06573	4.5
113.02442	25.7
119.03488	38.4
123.04523	8.2
127.07622	6.3
131.03485	4.6
138.03163	4.1
139.03650	0.7
143.03491	8.0
149.04549	4.9
153.05563	96.5
154.05917	2.9
161.04538	14.6
171.06682	3.9
172.99370	0.7
175.68738	0.8
179.05591	62.4
180.05984	1.2
217.36191	0.9
285.09940	2.2
350.41739	0.8
351.13046	3.9
439.16077	4.8
604.48999	0.9
619.22180	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	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03451	13.4
59.01379	19.7
65.40544	0.7
67.81182	0.7
71.01378	24.6
72.99298	0.7
73.02942	3.9
83.01389	3.5
83.04989	0.9
85.02950	14.9
87.00867	2.7
89.02446	18.4
93.03496	0.9
95.01388	2.1
97.02948	2.4
98.19763	1.3
99.00890	11.4
99.08157	42.0
101.02438	20.8
113.02453	20.1
119.03508	8.9
123.04529	13.2
125.02423	2.2
127.07659	22.2
128.07977	0.9
129.05580	17.3
131.03467	1.3
136.82782	0.8
137.02431	2.0
143.03510	6.1
149.04538	0.7
151.62129	0.8
153.05556	2.1
161.04553	22.1
162.04875	0.7
163.59120	0.7
171.06621	5.4
179.05611	5.8
189.07706	3.8
203.05605	1.1
221.06609	2.0
323.09818	100.0
324.10126	5.8
437.89651	0.8
447.15057	17.6
447.20865	1.3
448.15454	1.1
619.22424	19.2
620.22955	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	619.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20110	0.4
53.25136	0.4
54.33834	0.4
58.31021	0.4
59.01379	3.6
69.44270	1.2
69.44701	1.5
71.01379	2.8
81.07086	3.5
83.05034	1.6
85.02963	0.7
89.02450	3.1
94.04229	0.8
95.05009	0.5
98.20637	0.8
101.02423	1.1
109.06590	6.5
113.02429	0.8
119.03494	1.5
121.02981	0.5
123.03626	0.9
123.04522	17.4
127.07648	12.7
128.07898	0.5
138.03204	6.6
140.90646	0.5
153.05568	100.0
154.05902	3.6
161.04568	1.0
171.06618	11.4
179.05594	1.6
186.85333	0.5
202.40250	0.4
351.12796	0.6
439.16068	42.0
440.16455	4.8
619.22601	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	619.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	45.3
59.84503	1.6
61.98844	7.9
71.01376	26.5
71.49703	2.2
72.99303	2.9
85.02946	7.2
87.00851	2.5
89.02444	36.5
96.95997	5.4
96.96955	1.9
101.02432	20.1
112.11673	1.5
113.02457	13.7
113.06025	2.0
119.03512	14.8
119.05020	13.1
123.53843	1.7
131.07111	3.4
135.04538	1.6
152.53041	1.6
157.03133	1.5
157.36584	1.6
163.04012	12.7
175.02371	1.9
175.06082	3.0
179.05495	4.0
192.03003	1.6
248.94527	1.5
253.08878	1.8
292.85541	1.6
293.12387	100.0
294.12653	4.4
639.20917	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	619.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	1.6
55.01876	3.4
57.03444	41.1
58.00575	3.3
59.01374	60.5
61.98806	6.2
69.03445	3.9
71.01377	66.4
72.99272	3.0
73.02942	14.3
75.00872	2.8
83.01370	10.2
83.05022	2.4
85.02945	33.4
87.00877	11.0
89.02442	41.9
95.01377	5.1
95.04996	2.1
97.02956	8.0
98.19911	3.2
99.00886	16.3
99.08151	100.0
100.08494	4.1
101.02436	54.7
105.03436	2.1
111.00912	4.2
113.02450	33.4
116.39547	2.0
117.33026	1.7
119.03480	18.1
121.02948	2.3
121.84955	2.0
123.04507	60.1
125.02422	15.6
127.07653	65.8
129.05574	52.3
131.03508	6.9
133.02959	7.8
135.04489	3.7
137.02347	2.1
141.01970	2.4
143.03491	18.1
145.05087	2.3
149.04550	2.0
153.05556	21.7
155.03510	2.2
159.02948	3.7
161.02457	30.8
161.04529	39.8
162.05049	1.9
171.06619	15.9
179.03482	5.1
179.05580	20.9
189.07716	7.2
203.05632	4.5
221.06610	23.0
229.60632	2.0
245.06615	18.4
263.07681	22.3
284.03027	2.1
285.04059	9.7
285.10049	3.2
287.07645	3.0
305.08762	9.8
323.09842	93.6
324.10236	4.0
385.97906	2.3
439.16125	8.4
447.14935	70.7
448.14728	6.1
489.13986	2.8
619.22375	64.0
620.22357	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	619.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03442	12.1
59.01378	45.1
61.98827	8.4
69.46581	12.5
71.01379	41.4
72.99304	4.1
73.02928	5.9
73.94672	1.5
81.07083	3.6
83.01388	4.4
83.05042	2.0
85.02942	16.5
87.00867	3.8
88.68881	1.6
89.02441	41.5
93.03458	1.8
93.65768	1.8
95.01392	4.0
97.02943	2.6
99.00890	9.3
99.08155	36.5
101.02434	26.4
101.88121	1.6
109.06558	5.8
113.02448	23.7
118.67157	1.6
119.03500	19.5
123.04528	27.3
125.02387	3.3
127.07645	37.0
129.05580	20.4
131.03548	3.0
137.02428	2.0
138.03191	7.4
143.03496	7.2
153.05566	100.0
154.05896	2.2
161.02426	4.1
161.04517	18.9
162.53880	1.6
163.91830	1.9
171.06618	19.1
179.05629	18.8
180.05870	1.7
189.07646	4.8
218.31558	1.7
221.06712	1.9
221.83910	1.7
226.06302	2.0
241.08694	3.0
247.22617	2.0
323.09821	83.8
324.10132	3.4
388.14838	1.7
439.16052	36.4
440.16254	4.7
447.14957	17.0
619.22150	20.3
619.32703	5.7
620.22308	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	619.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03451	15.1
58.00563	1.4
59.01378	56.7
61.98827	9.1
69.03455	2.8
71.01379	42.6
72.99302	3.4
73.02931	5.5
75.00862	1.8
76.67664	1.1
81.03436	1.9
81.07114	1.2
83.01387	3.8
85.02946	10.8
87.00867	5.6
89.02443	48.8
91.57143	1.0
92.17854	1.0
95.01386	2.9
95.05030	1.7
96.58616	1.1
96.95999	4.9
97.02936	4.8
99.00868	3.3
99.08158	43.1
101.02441	31.7
102.54447	1.2
103.53714	1.2
104.64922	1.1
107.05040	1.4
109.06596	3.2
113.02446	19.4
116.22066	1.2
116.92873	1.7
117.04325	1.0
119.02666	1.7
119.03505	26.9
119.04998	1.1
121.02869	1.2
123.04524	25.4
123.08143	1.3
124.04766	1.3
125.02445	19.2
127.07652	51.8
128.07965	1.8
129.05585	29.8
131.03496	4.0
138.03195	3.0
139.04010	1.8
143.03458	8.0
147.04518	1.8
149.04501	3.1
153.05580	42.6
161.04565	13.6
165.05605	1.5
167.03520	1.4
171.06624	16.5
179.05597	19.7
189.07716	3.2
221.06625	14.8
245.06511	1.5
263.07639	5.5
265.10895	5.7
268.92239	1.3
285.09827	2.2
295.09641	4.6
296.10040	1.4
296.24930	1.1
315.13608	2.0
323.09814	100.0
324.10178	4.7
439.15936	13.7
447.15128	11.3
457.17560	1.6
583.33044	2.2
599.18628	1.2
604.58112	1.4
619.22479	13.9
619.31860	2.9
620.22046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.01152	0.8
69.84221	3.2
78.95925	1.6
98.20624	0.9
205.15598	0.8
255.23325	1.4
401.14066	2.8
415.15598	3.0
416.16370	13.6
430.17978	2.2
431.18503	1.0
444.15518	1.1
458.17484	1.8
459.18204	100.0
460.18503	10.2
470.09943	0.8
473.19821	16.8
474.20526	5.8
485.15845	0.9
501.19220	2.3
503.17459	2.9
517.18909	1.8
518.19543	47.0
519.19489	4.8
532.20984	9.1
533.21875	98.8
534.22198	10.1
557.09082	0.8
587.22961	7.4
619.25537	71.1
620.25787	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	619.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60582	0.9
53.34566	0.8
56.29411	1.0
57.24737	0.9
58.00562	1.4
59.01375	30.0
61.98829	7.2
64.31616	0.9
69.60297	6.5
71.01377	16.9
73.02945	3.4
81.07081	3.5
83.01390	1.3
85.02946	3.9
87.00877	1.7
89.02441	14.5
95.01364	2.0
97.02898	0.9
101.02448	8.3
109.06592	5.9
113.02458	10.4
119.03512	4.9
123.04523	21.4
127.07648	23.4
129.05550	1.9
131.03485	1.5
138.03229	6.8
143.03517	1.2
149.04579	1.2
153.05566	100.0
154.05882	3.3
161.04520	5.3
165.05464	1.3
171.06612	21.7
179.05635	9.2
189.07704	1.1
195.70470	1.0
198.35152	1.0
234.04506	1.0
243.89723	0.9
439.16046	46.9
440.16309	3.7
515.24896	5.3
533.26007	3.6
619.22229	10.4
620.22223	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	619.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.9
60.99306	16.0
61.98823	3.1
69.44431	10.0
71.01385	2.0
80.04303	1.2
83.40979	1.3
87.00885	3.2
88.00410	9.2
88.98803	100.0
89.02439	52.1
89.99141	1.5
90.09131	1.4
98.20628	3.0
102.89227	1.3
119.05071	2.0
126.80928	1.3
153.05557	2.5
163.04010	2.3
188.13330	1.4
218.02570	1.4
314.96896	1.4
339.17328	1.4
439.15952	1.7
619.32471	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	619.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.0
61.98815	4.4
65.76757	1.1
71.50029	2.2
78.95879	2.1
103.42906	1.3
121.10854	1.2
123.04485	3.7
133.20134	1.3
153.05513	3.4
165.12845	8.1
171.06471	1.2
171.10284	2.3
189.07639	2.4
199.24515	1.2
247.20633	4.7
273.18460	4.2
291.19641	100.0
292.19986	7.5
559.45569	1.4
619.22986	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	619.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57780	0.8
59.01376	1.6
61.98819	3.1
71.50387	1.1
72.99307	8.9
75.00877	4.3
103.00383	1.7
104.03539	1.6
105.01932	100.0
141.76073	0.7
144.20399	0.8
152.14597	1.0
153.05580	0.9
248.03163	1.2
337.19397	0.9
346.57300	0.9
460.69879	0.9
619.29376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.25496	0.4
56.38047	0.4
56.73421	0.5
57.03431	1.7
58.00591	1.4
59.01379	27.1
61.98818	1.8
67.97844	0.5
69.03446	0.6
69.99350	0.4
71.01378	25.9
72.99304	2.2
73.02947	6.5
75.00867	1.2
83.01387	2.6
85.02950	7.7
86.00123	0.5
87.00874	4.0
89.02444	17.2
95.01387	2.1
97.02948	0.9
98.20658	1.0
99.00881	1.9
101.02444	16.3
103.63952	0.4
111.00877	1.0
113.02453	8.4
119.03507	5.8
119.05040	0.7
123.04530	0.5
125.02405	1.5
127.07627	1.2
131.03513	3.6
143.03526	0.7
147.04538	0.7
153.05597	2.8
159.02971	1.0
161.04553	5.9
179.05615	2.4
221.06651	4.2
223.16994	1.6
275.67349	0.6
277.21716	3.5
295.22772	4.0
439.15982	1.2
439.26843	1.1
457.27975	5.5
619.33270	100.0
620.33643	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	619.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68456	0.7
59.01377	100.0
61.98826	2.0
71.01366	3.9
71.50607	0.7
73.02966	0.7
75.99762	0.7
78.95917	0.9
85.02950	1.3
89.59319	0.6
96.96044	0.9
101.02469	2.2
113.02433	1.2
120.23414	0.7
121.67976	0.7
141.65205	0.7
161.04587	2.5
261.99811	0.8
277.21704	83.8
278.21988	4.3
291.87344	0.7
397.27457	6.0
530.75037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98828	100.0
67.49627	0.3
71.51136	0.3
72.99326	0.4
73.32702	0.2
75.00873	1.8
83.01349	0.2
83.72929	0.3
110.64095	0.2
115.00361	0.3
175.02554	0.3
246.23074	0.3
268.12030	0.3
277.21713	0.3
435.23895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08068	0.2
57.47097	0.2
59.01378	1.2
61.98826	100.0
69.22314	1.0
69.22729	0.7
78.95856	0.2
87.61838	0.2
105.01938	0.7
129.34500	0.2
189.12730	0.3
230.68317	0.2
293.21179	1.4
339.72537	0.2
415.77930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18950	3.5
61.98828	100.0
70.72538	9.8
71.36749	4.0
78.95866	5.2
81.93378	4.0
109.16844	4.6
124.57896	3.8
129.93709	4.4
152.99507	5.9
255.23152	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	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98822	15.2
71.01385	12.3
71.05656	7.3
72.99308	3.8
73.02928	7.1
75.00871	51.1
83.01412	4.9
84.09322	2.8
85.02940	7.5
87.00873	4.0
89.02420	6.6
99.08131	8.1
101.02427	8.1
111.00848	5.6
113.02467	6.1
114.93417	6.6
119.03527	4.1
123.04554	4.9
127.07680	4.4
147.04504	3.9
153.05573	5.8
161.04562	4.5
161.13350	8.4
171.10243	4.9
187.11389	6.4
190.20082	3.6
205.12349	33.2
223.13394	9.6
249.11333	17.4
259.86111	3.2
266.83282	3.6
267.12247	10.3
291.12683	4.3
306.70227	3.5
309.13443	37.0
375.76236	4.0
399.12222	4.6
471.18701	9.5
621.33112	17.9
648.92969	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	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69737	2.3
59.01376	100.0
61.98824	12.2
67.50628	2.2
69.20686	22.5
71.01359	3.3
75.00877	3.2
102.32558	2.4
109.48176	2.8
116.92851	11.8
132.72005	2.3
157.80255	2.8
161.13388	13.7
177.08934	2.6
205.12363	40.5
228.06686	3.0
249.11282	7.8
309.13559	2.6
367.17664	6.7
517.21124	4.0
535.21698	3.6
577.22400	3.5
621.33759	3.7
631.91803	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	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71172	1.9
59.01377	100.0
61.44289	1.9
61.98836	2.6
69.41122	16.2
71.01402	2.3
98.20737	2.4
117.13170	2.2
144.23224	2.2
161.13374	24.1
205.12328	48.1
206.12581	2.4
207.10265	2.4
249.11336	8.9
264.60910	2.1
267.12460	2.6
309.13470	4.6
367.17499	7.0
517.20575	6.5
535.21979	2.8
577.22870	4.0
608.74817	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	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10921	0.8
53.37045	0.7
56.91859	0.8
57.03447	1.0
59.01377	100.0
60.55165	0.8
61.98803	1.8
69.28342	6.7
70.22951	0.9
71.01379	6.8
73.02975	1.4
75.18784	0.8
83.04986	1.3
84.97321	0.8
85.02963	2.2
87.00887	1.2
89.02457	1.7
93.07019	0.8
99.00891	1.0
101.02446	4.4
113.02441	4.0
118.95852	1.0
119.03523	1.2
119.05138	0.9
123.04523	2.1
127.07646	1.2
147.04520	1.0
153.05582	0.9
161.04573	6.3
161.13356	14.1
172.17664	0.9
187.11281	3.1
189.07625	1.0
205.12331	23.3
221.06641	12.3
223.13393	15.6
249.11324	6.3
265.14557	1.2
267.12350	33.4
268.12729	2.2
309.13406	25.6
310.13861	1.3
338.07877	1.1
338.77908	1.1
353.10294	2.9
471.18796	1.9
517.20526	1.4
517.30255	1.2
557.62262	1.0
577.22754	8.2
578.23077	1.4
621.33734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
57.15220	1.0
59.01383	17.4
61.98822	5.9
62.65986	1.1
65.37685	1.0
71.01379	5.8
72.99349	1.1
74.54339	1.2
85.02958	2.4
89.02430	1.4
93.03449	3.3
98.20786	2.1
99.08165	10.9
101.02431	3.1
108.02222	1.8
109.02962	3.5
115.00355	1.5
119.03502	1.7
123.04619	1.4
127.07658	19.3
129.05580	37.9
130.05872	1.3
135.02982	1.4
136.01637	1.9
137.02444	100.0
138.02789	3.3
145.08615	1.6
153.05597	2.9
160.74199	1.0
171.06639	3.9
189.07680	82.4
190.08060	1.5
267.12238	3.4
345.19019	2.5
363.20245	2.6
389.69580	1.3
639.39484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14716	1.1
57.03449	1.5
59.01377	100.0
60.01694	1.1
61.98838	5.4
67.13436	1.0
70.95153	1.0
71.01387	6.7
73.02942	1.2
75.00865	25.5
85.02943	4.7
89.02451	2.7
89.07732	1.0
89.38824	1.0
95.01398	1.7
99.00871	1.3
99.04503	3.2
99.59171	1.1
101.02428	5.3
113.02467	6.6
113.15398	1.0
119.05001	2.8
121.02922	1.7
123.04523	2.2
124.77005	1.0
127.07636	1.5
145.02979	1.5
147.04500	1.3
150.06847	1.6
151.07607	1.2
153.05531	1.6
161.04523	4.0
161.13365	6.8
163.04030	3.0
187.11269	1.3
205.12320	24.0
221.06627	3.0
223.13376	8.8
225.90758	0.9
249.11310	25.8
250.11530	1.2
267.12335	3.6
291.12329	3.5
309.13400	19.5
338.28293	1.1
351.14609	1.4
382.75031	1.2
411.16571	2.8
501.30258	1.7
561.32977	1.8
579.33258	1.2
621.32898	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	621.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
59.01377	100.0
59.58937	2.2
61.98820	5.8
69.95483	5.0
69.95888	6.4
71.01376	40.6
73.02939	17.9
83.01376	5.0
85.02940	9.9
87.00881	4.6
88.04140	2.2
88.98828	3.8
89.02439	29.3
90.73371	1.8
95.01364	4.3
96.95980	4.0
98.20609	3.0
99.00896	2.7
101.02425	24.5
111.00842	2.3
113.02444	24.6
115.00352	2.1
119.03468	8.1
119.04996	2.2
123.04511	6.2
125.02483	4.2
127.07639	15.6
128.07945	4.4
129.05615	2.7
133.02876	2.1
143.03491	3.9
153.05576	13.7
154.05919	6.1
155.06137	2.8
161.04472	6.8
163.04015	2.9
163.76222	2.1
171.06606	12.0
172.06926	4.4
173.07144	2.7
179.05579	6.1
363.47910	2.4
440.16660	3.1
441.16348	6.7
453.43481	2.6
517.26550	40.6
518.26440	5.5
535.27441	20.0
536.28680	2.9
577.28760	4.3
621.22968	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	621.314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23868	2.1
57.03445	11.8
57.76516	2.3
58.03779	3.3
59.01379	51.4
61.01786	2.9
61.98822	3.3
71.01376	36.6
71.50436	2.5
72.01734	4.6
72.99299	2.7
73.02942	6.1
73.90813	2.0
80.35001	2.1
83.01379	4.9
85.02939	19.6
86.03294	4.0
87.00871	9.0
89.02437	23.8
90.02802	2.5
95.01379	2.7
97.02906	2.7
99.00883	9.8
99.08153	39.8
100.01235	2.7
100.08521	10.2
101.02432	26.3
102.02797	4.5
111.00874	7.7
113.02440	28.8
114.02771	2.7
119.03493	9.0
123.04530	11.3
125.02482	2.5
127.07653	26.9
128.07979	9.6
129.05569	79.5
129.08141	3.2
130.05898	24.8
131.05988	10.4
143.03487	5.3
153.05508	3.1
161.04555	17.4
162.04881	4.5
163.05037	2.8
171.06593	3.5
177.01010	4.6
179.05576	5.0
189.07658	6.1
205.85858	2.6
207.13814	3.0
323.09787	35.0
324.10153	37.9
325.10263	43.7
355.24741	6.8
371.24329	2.5
373.26022	8.3
448.15436	3.2
449.15802	11.7
517.30157	30.7
518.30542	3.7
535.31134	4.6
621.22986	100.0
622.23309	6.7
638.08795	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	621.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90739	0.5
59.01373	0.6
61.98828	13.0
62.98540	0.5
68.79854	0.4
71.50854	0.6
72.99329	2.2
75.00867	100.0
92.15926	0.4
99.82061	0.4
103.64342	0.5
116.14339	0.5
181.02332	0.5
296.22885	0.4
621.27246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.6
60.95897	1.1
61.98819	4.9
66.16608	1.2
69.13260	1.2
69.13581	12.4
71.01373	12.6
73.02937	1.5
95.05025	5.4
99.00876	1.6
101.02442	4.0
102.47581	1.0
113.02441	7.5
123.04517	100.0
124.04833	3.1
125.02462	1.7
149.02422	1.4
161.04573	10.1
171.86545	1.2
195.13866	3.7
201.86061	1.0
223.13394	2.9
256.13275	1.1
275.20178	3.9
293.21216	74.0
294.21527	3.6
310.67532	1.2
317.21277	2.4
329.21051	2.0
335.22250	3.6
351.03555	1.2
359.22357	2.3
389.23187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	9.1
69.75811	30.1
77.80661	4.4
78.95895	13.8
86.62910	5.4
94.15082	4.4
112.02192	5.7
112.49510	5.9
123.04538	5.7
124.16027	5.5
153.09178	5.6
183.28317	5.5
215.59013	5.5
218.56352	6.7
245.19025	15.6
277.21716	23.5
280.35635	5.1
289.18042	69.0
290.18887	4.7
307.19159	100.0
314.70966	4.5
325.20224	24.9
341.65179	5.1
391.22748	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	622.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61533	0.4
59.01370	1.5
61.98830	100.0
70.57188	1.5
78.17677	0.4
78.95878	0.9
79.63187	0.5
81.67217	0.5
115.76428	0.6
188.75890	0.5
227.60953	0.5
277.21790	1.0
278.22003	1.1
281.74631	0.5
330.13544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1409
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
52.21659	0.8
57.03436	4.3
59.01377	23.4
59.75429	1.1
61.98831	14.4
63.02382	1.8
65.00339	1.3
66.80437	0.9
69.03457	1.3
71.01381	8.1
72.99308	1.3
73.02937	1.1
80.82829	0.8
81.58620	0.9
83.01386	2.5
85.02936	3.5
87.00864	1.9
88.98792	1.9
89.02436	3.4
91.16428	1.2
93.03459	3.4
96.96027	1.4
99.08150	9.4
101.02432	5.8
105.01926	1.2
107.01406	3.1
109.02934	1.4
111.00921	0.9
112.04036	2.2
113.02448	4.2
117.03416	2.1
119.03501	1.2
121.02930	1.2
123.04517	9.2
124.04068	1.3
125.02409	1.2
127.07643	7.9
129.05574	13.6
132.02171	3.7
133.02919	1.9
134.03749	4.7
135.00850	2.1
135.04550	2.7
137.02449	1.3
143.04947	1.4
145.02974	1.8
147.04506	1.3
151.00374	5.9
153.05577	1.4
157.06474	1.0
159.04541	1.0
160.01665	7.1
161.02431	10.0
163.00323	2.9
163.03993	1.1
165.01941	1.2
166.05080	63.1
167.04903	1.2
171.06641	2.4
175.02559	1.4
175.03951	5.5
179.03514	4.5
183.04475	2.7
184.06099	3.8
185.06050	3.4
187.03973	2.8
189.05783	1.3
189.07603	1.8
193.05043	1.8
195.04494	1.2
199.03949	2.8
200.04643	1.2
208.06099	1.3
211.03964	4.4
213.05618	2.8
221.04576	3.2
223.13403	3.4
224.13771	2.2
227.03482	56.8
228.03900	4.4
229.05038	10.1
239.03412	2.7
241.05014	3.0
243.02986	1.4
255.02975	92.6
256.03635	14.6
257.04532	8.5
267.02863	1.3
267.12509	1.2
269.14093	1.2
271.02432	2.0
283.02444	4.3
284.00040	1.8
284.03253	93.2
285.04007	100.0
286.04388	4.5
294.01184	1.3
298.04791	2.1
299.02023	4.0
299.05551	15.2
300.02625	2.0
301.03427	1.2
302.03937	1.4
314.04346	1.9
315.05167	5.5
323.07703	19.2
324.08179	1.6
328.10440	6.0
337.09146	4.9
397.13367	1.5
447.09567	2.8
452.15805	9.2
461.10172	1.3
501.41180	1.1
563.31128	1.1
581.31927	1.5
623.14008	94.8
623.35266	7.7
624.14093	13.4
624.22717	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	623.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.5
61.98832	80.1
69.24802	52.0
71.01379	20.8
89.02400	7.6
98.20629	9.7
101.02486	11.5
109.06535	7.2
113.02484	7.7
127.07660	97.4
147.04570	10.1
163.13828	6.4
171.06612	65.3
198.51573	7.5
207.10217	8.8
481.17093	100.0
482.17651	12.3
623.25824	14.3
623.35657	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	623.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35564	4.4
57.03443	5.5
59.01375	76.6
61.98832	100.0
71.01385	19.0
71.50501	5.7
71.50930	5.5
73.02939	5.9
75.00856	6.0
78.95925	7.8
83.03280	4.3
85.02931	10.5
89.02410	11.5
96.42964	4.6
101.02451	11.3
106.45496	4.5
110.35902	5.3
113.02446	9.5
123.04520	8.5
126.57512	4.2
127.07657	53.6
129.05510	4.6
147.04514	8.2
152.99562	7.2
153.05644	8.6
161.04491	6.0
163.46597	4.6
165.05533	5.3
171.06602	31.1
193.03375	6.6
207.10266	11.0
207.38560	5.0
208.00444	6.4
209.11929	7.5
225.11253	7.0
241.08592	5.7
419.14780	8.6
435.92532	6.0
481.17276	35.9
482.17441	7.4
563.34210	10.6
581.35040	8.4
623.24786	15.1
623.35248	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	623.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.2
61.98840	22.5
69.91750	11.5
71.01388	3.3
75.00841	2.8
81.68641	3.1
90.35835	3.5
97.25754	3.2
110.31201	3.3
127.07657	100.0
147.04504	10.3
161.06102	5.8
171.06635	52.5
179.05740	3.0
195.07422	3.4
253.74246	3.1
257.84024	3.4
269.13971	6.4
408.43402	3.2
481.17130	95.2
482.17795	5.3
623.35144	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86899	0.8
59.01379	6.7
61.98829	1.9
65.82409	0.8
69.91845	0.7
70.51009	0.8
71.01379	5.0
71.04758	1.1
89.02448	5.3
89.03934	1.0
93.03451	1.8
95.20082	1.0
101.02396	1.7
105.03466	1.4
111.00877	1.8
113.02484	1.0
115.00382	6.9
117.03478	4.2
119.03491	2.0
119.05038	4.6
133.01437	9.9
133.02911	4.3
134.03738	54.4
135.04079	1.6
149.06079	5.0
161.04558	0.9
163.03998	9.9
166.42697	0.8
171.08067	1.0
178.02695	2.2
179.05605	2.5
191.48885	0.9
193.05054	100.0
194.05342	4.0
195.08176	0.9
197.09740	2.2
245.53708	0.9
283.09674	3.0
299.08997	1.1
301.10779	2.7
345.09827	1.1
355.10184	4.1
365.76553	0.9
459.25800	0.9
461.14404	15.8
462.14926	1.9
507.15012	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	623.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53751	0.4
59.01377	1.3
61.98850	0.5
64.01120	0.5
69.07515	0.4
75.80623	0.4
78.66757	0.4
81.52341	0.4
89.03991	0.6
101.51510	0.5
115.12422	0.4
117.03471	3.5
119.05019	2.8
123.04499	0.6
133.02954	2.0
134.03735	54.4
135.04117	1.3
137.02470	1.6
149.06065	5.2
153.01968	0.7
163.03993	4.7
173.61386	0.5
178.02690	4.6
179.03488	0.7
193.05043	100.0
194.05400	3.5
227.03485	0.6
255.02966	1.2
284.03244	1.2
285.04062	1.8
299.09253	1.6
325.09134	0.5
349.36880	0.4
351.33237	0.4
355.10272	9.5
356.10660	0.6
461.14566	14.0
462.14935	0.8
623.14972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.02872	0.3
57.03459	0.7
59.01377	100.0
60.01719	0.5
61.01889	0.3
61.98840	1.0
67.14681	0.3
69.03474	0.5
71.01378	9.1
73.02936	3.7
83.01373	1.6
84.99317	0.5
85.02945	4.4
87.00884	0.7
88.98832	0.5
89.02428	0.6
90.42734	0.3
95.01406	0.7
97.02982	0.3
99.00885	1.4
101.02433	7.1
113.02438	4.4
113.03175	0.4
123.04524	0.9
125.02458	0.5
129.01945	0.4
134.86990	0.3
143.03459	0.6
159.03038	0.9
161.04552	6.1
163.54547	0.3
176.99529	0.3
193.05043	0.3
203.05623	0.6
221.06746	0.9
269.10278	8.3
269.13065	0.5
270.10876	0.5
311.11334	20.8
312.11832	1.5
337.09467	0.4
355.10309	0.8
533.13757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50908	2.7
58.26931	2.7
59.01372	13.7
59.75314	3.5
61.98832	14.4
66.99512	3.4
68.05885	3.1
68.50510	2.6
69.18306	29.8
69.18649	4.9
71.01385	6.8
79.38884	3.0
81.51003	2.8
85.02944	4.7
89.02465	3.2
99.08154	10.1
101.02448	2.9
109.82006	3.0
123.04487	2.9
127.07647	9.3
129.05583	52.9
134.03717	21.5
137.02458	10.8
149.06099	4.1
178.02684	3.1
189.07680	100.0
190.08026	6.6
193.05122	26.6
232.63631	2.8
257.08014	3.3
268.07111	3.0
313.71536	3.3
368.39246	3.0
396.33206	3.4
623.19250	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	623.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06486	2.3
59.01378	100.0
61.98818	12.9
69.44544	15.1
71.01370	7.9
73.02937	4.4
85.02951	4.0
98.19901	4.7
101.02460	5.6
113.02429	2.9
123.04584	3.8
123.70609	2.5
131.97485	2.4
160.72928	2.6
193.05016	3.2
207.13924	39.3
230.75551	2.5
237.66165	2.7
251.12923	13.3
269.13870	5.1
311.14948	9.6
369.19183	8.6
461.31210	3.7
519.22107	3.8
579.24475	3.8
579.50220	2.8
586.45557	3.0
623.35840	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	623.3434
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01870	1.2
57.03448	3.5
59.01378	20.2
61.98827	9.1
66.26080	0.6
66.57631	0.7
69.03445	2.0
69.21238	3.8
69.21650	1.5
71.01378	23.1
71.05016	1.0
72.99298	1.9
73.02943	5.3
75.00790	0.6
75.59867	0.6
78.95902	1.3
83.01389	4.0
83.05035	3.3
83.48140	0.7
85.02957	6.9
86.00100	1.2
87.00871	8.1
89.02441	10.8
91.03999	1.0
92.47894	0.6
94.39466	0.6
95.01377	2.3
95.05006	1.6
97.02950	2.2
97.06616	0.7
99.00898	1.5
101.02441	14.9
103.03994	0.8
107.04997	1.5
109.06590	3.0
111.00876	0.8
111.04522	0.8
111.08155	2.7
113.02452	10.3
119.03499	3.2
121.02991	0.8
123.08178	0.8
125.02428	2.8
129.02072	0.6
131.03520	0.7
133.05078	1.3
133.06538	0.9
135.08163	3.0
137.09717	2.3
143.03476	1.6
145.05054	4.7
145.94901	0.6
149.04503	0.6
152.99565	2.2
161.04541	5.0
161.09576	0.8
177.12918	0.9
179.05574	1.4
179.14388	1.1
181.12328	0.7
190.23820	0.6
193.12427	0.8
203.14375	1.7
207.17484	1.1
211.13358	1.7
213.14932	1.3
225.11188	0.8
231.17502	2.2
235.08214	14.8
237.14946	1.5
237.18571	1.0
239.16507	3.4
241.18102	2.2
245.15527	0.8
245.19011	0.8
247.13298	1.4
247.17035	1.4
249.14874	1.1
249.18570	0.9
253.09299	1.2
265.18036	2.3
267.19415	0.9
275.16525	3.2
277.18076	2.2
289.17783	0.8
291.19553	0.6
293.21109	0.7
313.25177	1.1
315.26944	3.7
317.24725	0.7
317.28415	1.0
325.25345	7.7
328.44617	0.6
333.27936	0.7
341.24875	5.2
343.26395	9.7
351.23242	4.6
359.25919	12.0
360.26358	1.2
361.27466	3.3
369.24319	17.6
370.24640	2.0
377.26825	1.8
387.25400	66.4
388.25677	7.7
405.26450	53.2
406.26709	5.1
407.28537	0.7
436.60367	0.7
479.30084	3.3
554.00354	0.8
595.34796	2.7
605.32928	1.8
623.34308	100.0
624.34656	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	623.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55216	1.0
50.76417	1.2
55.01889	1.1
57.03446	2.2
58.00613	1.2
59.01384	23.1
61.98823	4.6
67.77218	1.1
69.03465	2.4
69.97154	5.7
71.01389	24.4
71.05010	1.6
72.99299	1.2
73.02940	4.3
78.95917	5.1
81.03471	1.5
83.01376	2.0
83.05013	3.6
85.02947	6.4
86.00098	1.6
87.00886	8.5
87.04542	1.4
89.02442	12.9
95.01426	1.8
97.06593	2.0
98.20063	1.7
99.00893	3.2
101.02451	16.5
107.05039	1.3
109.06578	3.0
111.08157	3.8
113.02465	8.5
119.03487	2.4
123.08141	1.5
126.78040	1.2
133.05038	1.6
135.08141	2.7
137.09706	1.6
143.03400	1.6
145.05070	5.2
152.99602	7.3
161.04558	4.4
163.11166	1.3
179.05591	1.6
195.85086	1.2
211.13506	1.2
213.15086	1.6
235.08191	14.3
237.14944	1.5
239.16444	2.6
275.16599	2.7
277.18155	1.9
277.21094	1.4
299.20175	1.1
315.26953	3.4
317.83609	1.2
325.25311	6.2
326.25531	1.6
341.24792	6.7
343.26471	9.1
351.23300	3.7
359.25909	12.9
360.26224	2.1
361.27457	2.7
369.24326	17.7
377.27182	1.8
387.25421	64.9
388.25784	6.6
405.26468	57.2
406.26743	3.6
443.31570	1.3
461.29138	1.2
479.30286	4.6
564.25800	1.3
592.08990	1.6
595.34821	3.0
605.32904	2.5
623.34393	100.0
624.34717	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	624.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20969	0.6
59.01371	1.7
66.72207	0.6
68.54322	0.6
71.01363	1.4
71.49119	1.1
73.02951	0.6
78.95882	1.5
89.02439	0.7
91.11766	0.5
107.03626	1.9
107.04984	1.0
108.02036	5.0
126.03085	3.4
130.08784	1.2
133.01566	22.6
134.04756	1.5
150.04211	100.0
151.00349	1.6
151.04643	1.2
161.04572	0.7
179.05637	1.2
215.69412	0.6
221.83957	0.7
223.44194	0.7
236.61893	0.5
238.06267	0.8
240.08066	0.6
267.74417	0.6
271.02441	4.1
282.08417	76.9
283.08688	4.2
299.01886	6.7
300.02713	1.3
301.03577	3.2
329.89673	0.6
334.59442	0.7
341.10876	0.6
403.13766	1.7
453.63992	0.8
462.08139	1.4
463.08667	3.1
625.13538	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	624.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30927	0.7
57.03448	4.5
59.01377	6.0
61.98829	14.8
71.01359	2.6
71.50062	0.5
73.02940	0.8
83.01400	1.0
85.02966	0.9
89.02429	1.0
93.03435	0.7
95.01355	0.5
95.05021	1.1
99.08158	12.8
101.02439	1.4
105.03407	0.5
106.06626	1.3
110.02467	1.2
112.04018	3.9
113.02446	1.2
123.04529	11.7
124.04043	3.1
127.07656	11.3
129.05580	23.5
133.02965	2.2
140.07178	1.2
150.05608	0.5
151.00414	0.7
153.05565	2.0
161.02380	0.6
161.04546	0.7
166.05086	100.0
167.05470	2.6
171.06613	1.9
174.94806	0.6
177.01947	1.2
178.02748	1.4
179.03691	0.6
183.04420	0.6
184.06143	7.0
189.07651	2.7
208.06143	3.0
227.03441	3.1
228.03893	2.2
229.05045	1.0
255.02992	5.8
256.03311	5.2
257.04276	0.9
284.03265	5.2
285.03854	8.4
286.04361	4.9
300.06137	0.8
315.05292	0.7
316.05328	0.7
323.07578	1.1
324.07928	1.4
328.10327	6.5
397.88782	0.6
452.15610	16.6
453.15735	1.1
521.32867	1.2
624.14410	10.4
624.23352	3.0
624.34094	1.2
625.14478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.42381	0.2
61.98829	100.0
71.01381	0.8
71.50250	0.3
73.02950	0.3
81.46597	0.2
85.02988	0.2
89.02502	0.4
99.00898	0.2
110.70733	0.2
119.04996	0.2
123.04549	0.3
133.02954	1.1
134.03767	0.3
157.73003	0.2
177.01968	0.6
178.02774	0.3
185.16136	0.2
193.05048	0.3
285.03546	0.2
325.46518	0.2
357.23950	0.4
482.75015	0.2
624.23340	0.2
624.37524	0.3
625.38110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98830	100.0
71.01398	0.6
71.50323	0.3
73.02943	0.2
78.90684	0.2
89.02386	0.3
94.31532	0.2
101.02435	0.4
113.02446	0.3
133.02983	0.9
134.03743	0.4
160.68756	0.2
175.02699	0.2
177.01990	0.5
178.02669	0.3
181.67732	0.2
223.13501	0.2
361.52316	0.2
520.31989	0.2
536.22198	0.6
541.27588	0.2
624.36609	0.4
625.38416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40962	0.1
58.76875	0.2
61.98825	100.0
69.13994	1.7
73.46226	0.2
108.39034	0.2
108.89193	0.2
148.30724	0.2
176.78656	0.2
267.77356	0.2
283.40027	0.2
600.39471	0.2
604.53143	0.2
638.18231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19472	0.4
56.44468	0.3
59.01381	0.7
61.98827	100.0
71.01385	0.4
71.42081	0.5
94.57712	0.4
101.02390	0.4
163.04083	0.4
219.51314	0.4
271.02567	0.7
299.01849	0.5
406.27158	0.4
551.48413	0.4
625.14282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35839	0.4
59.01386	0.5
62.90536	0.5
69.23052	1.9
69.23486	2.4
73.37719	0.4
76.92182	0.4
78.74129	0.5
79.42200	0.4
83.01427	0.5
107.01398	1.6
109.02953	1.0
119.05017	3.7
121.02921	0.9
133.02940	0.8
139.77803	0.4
149.02417	0.5
150.05553	0.9
151.00351	7.7
159.04404	0.6
163.00368	1.1
163.03987	4.1
164.01097	0.4
167.03593	0.5
171.04407	0.9
175.00291	1.3
175.03909	0.9
178.99811	1.8
187.03961	0.6
199.03954	3.2
201.01910	1.2
202.05083	0.5
203.03426	0.9
207.05418	0.6
214.02736	0.5
215.03476	1.9
226.02728	0.6
227.03513	3.5
236.17879	0.5
240.07878	0.6
242.02330	0.5
243.02925	4.8
254.02237	0.6
255.02948	2.0
259.35324	0.5
271.02451	56.4
272.02875	3.7
299.01932	100.0
300.02536	15.6
301.03473	43.7
302.03757	1.8
313.03275	1.1
325.09308	0.5
343.04428	1.4
403.14102	0.6
462.07980	23.9
463.08752	37.6
464.08945	3.6
505.09659	1.2
535.18964	0.7
625.14020	67.9
626.14294	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94095	0.5
65.79382	0.6
69.22831	0.8
69.23080	2.8
69.23492	2.4
82.44610	0.5
89.13414	0.5
98.20670	1.2
104.88006	0.6
107.01368	2.0
109.02957	0.9
118.26176	0.6
121.02942	1.6
147.00819	0.6
151.00339	6.2
163.00414	0.9
165.01884	0.8
175.00386	0.9
178.99875	1.3
183.04390	0.7
199.04050	3.2
201.01915	1.2
215.03543	1.4
226.02708	1.7
227.01422	0.8
227.03387	3.7
243.02957	4.8
254.02168	1.0
255.02914	1.8
271.02444	48.8
272.02979	3.5
289.48346	1.0
299.01941	100.0
300.02588	14.1
301.03506	40.3
302.03879	2.9
313.03516	1.2
343.04663	1.3
462.08002	23.5
463.08771	36.5
464.08997	2.5
526.34436	0.7
625.14032	74.8
626.14343	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	625.1408
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
59.01376	1.5
65.00340	1.3
69.78195	1.6
69.78600	1.4
71.01404	1.0
77.85004	0.6
83.01389	0.9
89.02440	1.3
107.01397	2.0
108.02221	0.6
109.02996	0.6
121.02946	1.1
122.03694	0.7
133.02925	0.6
135.03009	0.6
141.70825	0.6
147.04546	0.6
150.04207	1.1
151.00372	8.4
159.04599	0.7
161.04692	1.1
171.04524	1.2
175.00465	0.9
178.99838	1.5
179.05582	1.9
189.01984	0.7
199.04018	3.1
201.01904	0.8
207.05341	0.7
215.03525	2.1
225.05537	0.7
227.03465	4.0
240.08087	1.2
243.02979	4.3
254.02287	0.8
255.02985	2.1
271.02466	54.7
272.02844	3.5
282.01422	0.8
282.08585	0.9
283.08661	0.7
285.04019	0.5
299.01959	100.0
300.02597	16.5
301.03513	44.1
302.03873	2.0
309.45544	0.5
313.03345	0.8
341.10962	0.8
343.04477	1.6
361.92786	0.6
367.06808	0.6
403.14020	1.8
462.08063	22.4
462.14587	1.3
463.08810	37.1
464.09137	3.4
505.10245	1.0
625.14081	74.2
626.14587	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13710	0.6
53.48483	0.6
57.62427	0.6
57.81297	0.6
59.01359	1.6
61.47352	0.7
61.98816	0.6
63.02375	1.3
65.00307	2.5
67.58932	0.6
69.79203	2.0
69.79614	1.5
71.01369	1.4
83.01379	1.6
88.98786	1.0
89.02446	1.6
93.03461	1.4
97.09420	0.7
98.19875	0.9
98.85029	0.7
99.00661	0.6
101.02406	0.8
107.01382	4.5
108.02192	0.9
109.02959	1.4
120.37643	0.6
121.02937	5.3
148.01646	0.8
151.00365	24.6
153.01955	0.8
163.00388	1.4
174.32428	0.6
175.10602	0.6
178.99844	11.7
193.01462	0.7
209.11824	3.3
211.04008	0.8
227.03549	1.8
227.12915	1.4
229.04922	1.6
243.02943	5.3
244.59583	0.6
245.04494	0.9
254.02206	1.5
255.02940	13.8
256.03302	1.0
271.02463	32.0
272.02927	3.6
273.04050	1.4
283.02646	1.1
299.01950	11.7
300.02716	65.9
301.03485	89.1
302.03854	5.4
462.08017	0.8
463.08777	100.0
464.09012	9.0
564.12714	0.7
625.13989	8.0
626.14600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69767	0.5
59.01377	62.4
69.14670	0.4
69.15330	4.5
75.00854	0.6
98.20763	0.9
151.00346	1.3
197.06071	13.4
225.05551	45.3
226.06139	5.2
240.07901	77.1
241.08315	6.2
255.02959	1.0
265.04617	0.5
266.34464	0.6
271.02444	7.4
272.02838	0.9
298.98669	0.9
299.01938	10.9
299.05328	0.9
300.02658	2.3
301.03473	5.6
315.82742	0.7
333.13684	0.6
388.11414	1.4
403.13950	100.0
404.14270	9.6
462.08047	1.7
463.08780	5.9
625.13824	7.3
626.14020	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	625.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93202	0.4
55.01889	1.3
55.46747	0.5
57.03442	1.8
58.00588	2.3
59.01376	38.0
61.98826	2.1
65.50790	0.4
69.03440	2.7
71.01376	36.9
71.50906	0.6
72.99303	3.0
73.02943	5.6
73.04900	0.5
75.00850	1.2
78.95901	0.6
81.03448	2.2
83.01387	4.1
85.02953	9.9
87.00871	11.3
89.02438	31.9
91.04023	0.8
95.01381	2.7
97.02941	5.6
99.00847	2.4
99.04527	0.8
101.02434	32.0
107.83782	0.6
109.02943	0.7
111.00850	0.6
111.04504	0.9
113.02442	17.3
115.03998	0.7
119.03493	12.1
121.02933	1.4
121.70671	0.6
124.01652	0.7
125.02435	14.5
127.04013	0.8
131.03484	1.7
133.05060	1.0
139.04036	1.1
141.01906	1.2
143.03479	6.6
149.04546	0.8
152.99600	1.2
157.64307	0.5
161.04552	8.0
165.16238	0.5
167.03551	0.6
169.02921	0.5
171.02847	0.7
179.05611	6.1
209.11835	0.7
217.07199	0.5
221.06641	2.5
227.20155	100.0
228.20474	6.2
235.08209	14.6
235.12051	0.6
241.21826	1.3
245.06590	0.8
253.09256	5.2
263.07614	1.4
271.02420	1.3
273.18521	0.7
277.09241	1.1
287.07669	4.0
291.19656	0.7
299.01910	2.2
301.03497	1.0
305.08725	4.3
323.09824	2.3
335.92694	0.6
361.11166	0.6
379.12485	1.2
389.26807	1.5
397.13452	68.3
398.13699	3.6
415.14517	31.4
416.15005	1.8
463.08804	1.3
625.14160	1.7
625.34021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.5
60.61913	5.3
61.98837	34.4
71.01379	59.5
72.99302	13.2
88.48022	5.1
98.19907	10.5
98.52329	5.9
101.02429	7.5
109.02991	5.6
114.47365	6.0
115.00369	63.4
123.04537	63.7
133.01413	14.1
133.02937	16.4
135.04526	57.0
145.22057	6.1
153.01907	6.9
161.02457	38.4
166.03485	5.3
179.03519	49.2
198.44234	6.1
199.03934	5.5
199.21564	5.9
203.27869	6.1
209.11855	6.6
285.09872	6.6
301.03424	13.7
383.09924	24.6
393.34091	5.9
401.10837	100.0
417.59555	5.9
509.26041	6.5
563.13806	23.5
602.68054	6.2
608.97552	6.0
627.31763	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	626.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51452	0.1
54.33416	0.1
57.03425	0.1
60.60927	0.1
61.98827	100.0
69.15858	0.5
69.16286	0.5
74.10146	0.1
86.08828	0.1
95.32766	0.1
99.08156	0.7
123.04511	1.5
127.07639	0.8
129.05620	0.3
153.05566	1.5
154.35248	0.1
171.06683	0.3
214.22850	0.1
285.09717	0.6
415.78778	0.1
425.59958	0.1
457.17096	1.5
458.17722	0.1
481.55313	0.1
492.59286	0.1
554.67938	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	626.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67493	0.1
57.03447	0.3
59.76809	0.1
61.98829	100.0
71.01412	0.2
98.19906	0.4
99.08166	1.7
123.04520	3.3
123.05388	0.2
127.07649	2.4
128.29120	0.1
129.04681	0.3
129.05582	2.3
129.47488	0.2
153.05592	2.0
154.42688	0.1
161.04602	0.1
171.06664	0.4
189.07726	0.3
228.86273	0.1
245.08253	0.1
285.09894	0.6
408.75372	0.1
457.17151	5.8
458.17688	0.4
626.26367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.37113	4.2
73.32400	0.5
86.12714	0.6
89.14297	0.5
111.18489	0.5
128.41663	0.5
152.99599	0.6
191.20699	0.5
212.27432	0.5
225.13980	0.5
258.88403	0.6
438.13522	0.7
443.41122	0.7
451.14127	0.9
452.14777	1.4
481.15012	2.9
495.16718	6.5
508.17807	0.8
535.17090	1.0
536.17004	1.1
539.15485	0.7
540.16418	1.1
551.19287	15.0
572.15771	1.6
586.17267	0.9
595.18719	2.2
627.20886	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2091
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.00645	0.5
61.98826	45.2
68.80159	0.6
69.48087	3.7
73.02935	1.5
77.33761	0.7
78.95897	1.2
90.34714	0.6
114.34894	0.5
152.99571	1.7
199.75247	0.7
241.24187	0.7
308.42905	0.7
387.62817	0.8
438.13422	1.5
451.13754	1.0
452.14966	4.5
465.16080	0.9
471.62885	0.7
481.14926	8.6
482.15417	0.8
484.13751	1.1
493.15002	1.4
494.15659	0.8
495.16785	18.1
496.16922	4.2
498.72165	0.7
508.17044	2.6
509.18152	1.3
512.13281	1.5
521.14380	1.2
523.17792	0.8
526.14832	1.0
533.18188	0.9
535.15936	1.9
536.17157	3.3
539.15863	1.2
540.16577	4.8
541.16736	1.0
542.24878	0.8
551.19336	44.2
552.19525	7.5
554.17975	0.9
555.19025	1.5
568.15594	1.2
572.15192	2.9
586.16962	2.6
595.18268	11.2
596.18707	1.8
627.20911	100.0
628.21246	19.2
640.37531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87405	2.6
59.01379	67.8
59.32272	2.6
61.98817	9.4
71.01382	13.0
71.50665	3.7
71.57275	2.3
72.99288	3.1
74.36755	2.6
76.47147	2.6
87.00887	3.1
88.04080	2.9
89.02484	4.5
93.03470	4.3
96.96066	3.3
98.55087	2.5
109.02957	4.1
115.00377	11.0
119.05025	6.1
121.02946	4.1
122.03741	8.2
123.04562	12.6
123.05293	2.6
145.03017	2.7
149.02422	21.3
150.03249	53.5
151.03934	2.7
153.05588	4.0
161.02438	6.2
163.07820	2.6
163.59337	2.4
164.04782	6.6
165.05568	77.3
166.05934	3.5
176.04816	3.1
179.03529	12.9
180.04301	4.8
194.05803	12.8
195.06633	100.0
196.06950	5.9
209.08214	33.3
209.11618	3.6
241.59583	2.6
255.02966	3.1
256.03091	3.3
271.02432	3.8
300.02676	8.8
301.03342	5.2
342.11047	6.1
357.13446	49.5
358.14044	3.4
405.15475	28.4
463.08612	7.9
465.08871	5.5
583.14465	8.4
627.13684	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	627.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
58.00597	2.3
59.01377	100.0
61.98816	5.4
70.51586	6.0
71.01380	49.3
72.99306	3.2
73.02948	2.8
83.01390	2.4
84.75677	1.5
85.02962	10.7
87.00888	3.7
89.02438	76.6
95.01370	5.5
101.02447	31.9
113.02441	24.9
119.02670	2.7
119.03498	37.6
131.03494	4.4
143.03482	9.6
149.04518	4.0
149.09694	3.2
151.00330	2.6
151.04088	1.7
154.13145	1.6
161.02444	1.6
161.04530	15.3
163.04091	2.0
165.01923	7.4
178.19742	1.7
179.05602	45.0
180.04330	1.8
195.06544	3.3
219.86641	1.9
221.06598	2.3
224.66953	1.8
225.07631	2.5
227.03540	1.6
271.02515	9.2
272.02686	9.3
273.02908	6.0
297.05469	1.7
298.61606	2.2
299.01932	15.3
300.02316	13.0
301.02774	17.3
302.03699	5.0
303.04114	9.2
405.21024	5.2
463.08569	5.2
464.08820	10.6
465.09344	10.6
567.26520	40.6
568.27466	3.3
627.14215	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68628	0.2
56.17380	0.3
61.98827	100.0
64.39702	0.2
67.03605	0.2
70.04999	1.0
75.00568	0.2
81.02824	0.3
94.78826	0.3
98.19939	0.3
117.74306	0.2
119.05095	0.3
134.22145	0.2
161.08839	0.2
163.04016	0.5
181.55753	0.2
197.99644	0.2
331.76263	0.3
361.28928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05225	0.7
54.03764	0.6
54.36056	0.7
59.01374	2.3
61.98827	100.0
63.00365	0.7
70.85474	1.1
70.85802	1.2
78.04652	0.7
86.21468	0.7
98.55019	0.7
205.12328	1.0
211.13412	1.0
238.86171	0.8
248.66101	0.7
288.47940	0.7
309.13559	1.5
313.80530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89433	0.3
59.01381	0.7
61.98831	100.0
62.49563	0.3
75.00920	0.3
119.92183	0.3
120.26667	0.3
130.15660	0.2
156.72374	0.3
179.16147	0.3
188.16518	0.3
226.06493	0.5
241.08769	1.0
361.22351	0.3
587.47394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07085	0.2
59.01375	1.7
61.98832	100.0
66.15378	0.2
70.25867	1.0
71.01388	1.0
85.02963	0.3
89.02463	0.4
98.20021	0.3
99.08179	0.3
101.02470	0.7
113.02497	0.5
119.03482	0.3
119.05021	0.3
123.04535	0.5
124.51036	0.2
127.07646	0.3
129.05621	0.4
144.04610	0.7
153.05615	0.4
159.88568	0.2
161.04584	0.3
167.82043	0.2
188.03494	0.3
226.06398	0.8
241.08717	2.2
445.22437	0.3
453.24640	0.3
554.47809	0.3
573.44373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36939	0.7
54.27003	0.8
57.03449	7.2
59.01370	1.9
61.98821	6.6
69.59865	5.2
71.01369	3.2
85.02954	1.2
95.05012	2.4
99.08160	32.3
101.02415	1.9
105.03434	1.8
107.00600	0.8
109.06583	1.2
113.02420	2.3
123.04521	100.0
124.04830	2.9
127.07651	65.5
128.08012	1.6
129.04593	1.7
129.05574	33.7
153.05569	72.1
154.05870	2.2
159.02946	1.2
161.04556	7.2
171.06598	13.4
189.07695	8.3
231.57225	0.8
253.07895	0.8
260.31055	0.7
285.09766	20.4
286.10104	1.2
290.61685	0.8
327.10922	0.9
337.27585	0.8
351.75714	0.8
354.24384	0.8
439.15665	1.0
457.17163	46.7
458.17429	3.6
629.24371	5.7
629.38251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70583	1.4
50.79887	1.8
59.01107	2.4
59.01378	24.2
61.98829	5.2
62.02949	1.6
70.14764	3.3
71.01381	15.2
73.02936	2.0
85.02962	1.8
89.02442	21.1
99.08148	7.7
101.02448	6.4
113.02445	6.0
119.03477	7.7
123.04517	12.7
127.07648	100.0
128.07962	2.7
128.13998	1.4
129.05579	24.1
143.03580	2.0
151.07605	2.1
153.05563	11.5
161.04506	2.8
164.01656	2.1
171.06627	56.4
172.06947	2.3
179.05594	11.1
189.07690	4.2
285.09671	3.4
351.12939	36.5
457.17090	9.9
523.20245	98.3
524.20532	10.1
529.72327	1.5
629.35938	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	629.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96220	0.2
55.01874	0.9
57.03455	0.8
58.00578	0.5
59.01379	10.0
61.98820	1.4
62.40301	0.2
69.03421	0.2
69.27370	1.5
71.01381	9.2
72.99301	0.4
73.02947	2.3
83.01389	1.8
85.02948	3.8
85.03457	0.2
86.00072	0.5
87.00859	0.5
89.01986	0.1
89.02438	3.7
91.53935	0.2
95.01374	0.7
96.95999	0.2
99.00878	0.7
101.02441	7.2
111.00865	0.5
113.02448	2.6
119.03512	1.5
123.04503	0.5
124.01666	0.2
125.02451	0.2
143.03427	0.3
153.05597	0.3
161.04556	0.3
165.05585	0.2
174.07428	0.2
181.12341	2.4
199.13383	3.7
200.13847	0.2
271.79303	0.2
275.15131	0.2
284.03381	0.2
285.04108	0.4
343.17480	1.4
361.18649	100.0
361.69165	0.2
362.18976	6.6
593.12836	0.5
629.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23999	0.2
59.01373	0.4
61.98826	100.0
62.39740	0.1
62.98529	0.2
69.49775	0.7
69.50177	0.3
71.01373	0.4
87.00925	0.2
87.04533	0.1
87.79513	0.1
90.41071	0.1
98.20631	0.3
115.00381	0.6
119.05101	0.2
123.04541	0.3
130.79564	0.2
137.02486	0.1
153.05579	0.6
164.72400	0.1
167.71887	0.1
175.02547	0.1
431.10065	0.4
432.10919	0.2
542.26367	0.2
630.21564	0.6
630.34601	0.2
631.20624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27824	0.3
61.98831	100.0
66.36914	0.3
69.15900	1.5
69.16322	1.8
73.06934	0.3
110.28675	0.4
115.61661	0.3
165.09193	0.3
190.72716	0.3
371.20218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87687	0.3
60.40884	0.3
61.98829	100.0
69.15991	2.8
69.16401	0.9
83.58649	0.3
87.98979	0.3
93.58247	0.3
98.20610	0.8
101.58131	0.3
120.56709	0.3
202.70070	0.3
324.32739	0.3
448.35910	0.4
561.65741	0.4
614.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89503	0.2
57.73593	0.1
58.67808	0.1
59.01377	1.1
59.37290	0.1
61.98831	100.0
62.98540	0.2
69.20496	0.3
69.20905	1.2
71.01399	0.8
72.99290	0.2
76.15611	0.1
82.02983	0.5
88.98872	0.3
101.02426	0.2
103.36215	0.2
111.00918	0.2
113.02415	0.2
115.00374	0.8
119.05075	0.2
123.04536	0.7
129.05618	0.4
142.81963	0.2
147.03098	0.3
153.05647	0.2
163.04002	0.2
164.03531	0.2
205.12360	0.5
205.20552	0.2
214.29547	0.2
243.10291	0.3
249.11362	0.6
259.06906	0.2
287.10614	0.4
303.16626	0.2
309.13443	0.3
331.09302	0.2
363.16943	0.2
383.10226	0.2
394.89020	0.2
630.21442	0.2
631.21387	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	630.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54961	0.2
59.01373	1.3
59.91203	0.2
60.01684	0.2
61.98832	100.0
70.84471	0.4
71.01402	0.6
89.02450	0.9
90.02851	0.2
100.69140	0.2
101.02471	0.3
106.03960	0.2
110.31588	0.2
113.02489	0.2
119.03524	0.4
161.04642	0.2
179.05629	0.4
181.05959	0.2
181.81802	0.2
302.56772	0.2
553.58087	0.2
570.27924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.2
61.98823	18.7
69.16296	25.2
69.16713	8.8
71.01382	28.7
72.79649	3.4
83.01371	8.1
87.00874	34.5
89.02436	5.3
93.03441	4.3
94.11243	3.5
96.96013	27.9
101.02426	10.2
105.22598	3.6
111.00864	4.2
113.02398	4.3
115.00367	62.3
117.02017	3.4
117.03434	7.3
119.05035	31.8
121.02946	9.9
123.04503	8.1
153.65916	3.7
157.01387	5.2
163.03999	47.1
175.02475	100.0
289.98630	4.1
299.40417	4.2
363.08707	3.9
409.14984	83.3
410.15176	7.4
431.00784	3.8
497.93427	3.9
525.14124	11.1
595.29980	4.9
631.17908	18.0
632.19757	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	631.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	14.5
75.00858	30.0
75.15039	7.4
75.55885	7.5
78.15346	7.1
78.95908	22.8
93.29366	7.4
98.20641	25.1
99.92604	10.5
116.19157	6.6
116.92860	100.0
117.01940	12.9
152.99622	18.6
163.94283	7.3
214.07121	7.2
277.21774	12.1
284.56573	7.6
292.34250	6.7
295.35678	7.5
325.53308	8.0
476.35672	8.2
476.63513	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	631.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	14.5
75.00858	30.0
75.15039	7.4
75.55885	7.5
78.15346	7.1
78.95908	22.8
93.29366	7.4
98.20641	25.1
99.92604	10.5
116.19157	6.6
116.92860	100.0
117.01940	12.9
152.99622	18.6
163.94283	7.3
214.07121	7.2
277.21774	12.1
284.56573	7.6
292.34250	6.7
295.35678	7.5
325.53308	8.0
476.35672	8.2
476.63513	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	631.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
61.98824	5.9
71.01335	1.7
72.99297	4.0
73.02959	3.8
75.00856	8.7
78.95883	1.9
90.11263	1.7
99.00877	5.5
99.92575	14.1
115.00338	2.2
116.03529	3.4
116.07174	3.8
116.92859	100.0
116.97252	2.1
117.01933	12.7
117.05576	6.4
117.92853	4.1
191.22993	1.8
271.11548	1.9
277.21710	3.2
295.94797	1.9
442.09424	1.9
581.80219	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	631.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	8.1
70.97761	2.2
71.01377	10.8
73.02936	4.3
75.00888	1.1
83.01385	1.5
85.02950	4.5
89.02445	3.4
96.96001	2.1
99.00874	1.1
99.04523	3.0
101.02444	11.6
113.02461	4.6
115.03967	1.8
115.07623	0.8
116.92884	0.9
117.05612	1.6
119.05006	2.3
122.06007	0.9
143.03484	1.0
144.04520	2.9
159.02872	0.9
161.04594	4.2
161.08191	23.7
163.04015	2.4
179.05675	1.5
188.03587	1.0
221.10287	27.9
222.10561	1.0
227.14040	0.9
263.11325	12.4
291.57825	1.0
295.45486	0.9
307.10199	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	631.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03453	2.0
59.01383	13.5
61.98833	17.5
63.52349	0.8
70.05198	3.5
71.01381	13.5
72.99304	1.2
73.02939	5.5
75.00894	0.8
83.01399	3.6
85.02952	6.1
85.27330	0.8
87.00871	1.6
89.02467	2.1
95.01433	0.8
96.96025	2.6
99.00878	1.9
99.08147	1.3
101.02441	12.7
109.02973	0.7
111.00887	3.1
113.02454	5.4
113.17776	0.8
115.00381	1.1
117.07086	0.7
120.05807	24.6
123.04523	3.4
124.04839	0.9
127.07655	2.2
129.05635	2.2
133.06650	1.1
134.03688	0.9
135.03009	0.8
135.08160	100.0
136.08481	4.1
147.04564	0.8
153.05598	2.3
153.09196	1.7
159.02969	1.1
161.04552	2.6
171.13937	0.9
174.43063	0.9
189.07782	1.3
241.08958	0.9
315.25327	5.1
316.25534	0.9
319.17813	0.9
356.07239	0.9
477.30655	82.0
478.31027	9.6
595.38226	4.4
613.39124	4.0
614.40692	0.9
631.40692	31.9
632.41235	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	631.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94711	1.6
56.17801	1.9
61.98820	2.6
69.71513	8.0
79.05071	1.5
114.26921	1.7
183.27200	1.6
277.21707	100.0
278.22034	6.0
478.35959	2.0
627.72919	2.0
644.06714	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	631.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.8
61.98822	4.9
70.57336	4.9
70.57703	4.1
80.75809	1.7
111.82439	1.9
114.50951	1.9
126.02608	1.7
137.02403	2.6
139.04007	2.2
277.21695	100.0
278.22000	8.2
338.54730	2.3
412.14731	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	632.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
61.98829	29.6
62.01398	0.6
71.01371	4.1
73.02935	0.9
83.01398	0.7
85.02955	1.2
87.00876	1.1
89.02453	2.5
90.91189	0.6
94.05627	0.6
96.95997	0.9
98.20758	1.8
101.02431	2.3
105.01959	0.7
113.02460	1.2
119.05007	1.1
120.05789	0.9
123.04536	0.9
125.02446	0.9
127.07624	2.1
129.05563	1.8
130.08771	0.8
135.03064	0.7
135.08176	7.1
136.08447	0.8
147.04491	1.0
151.00404	3.4
153.05556	2.7
161.04576	0.9
163.03996	1.1
174.01613	1.1
178.99843	2.9
189.07664	2.8
193.12320	0.9
211.13368	3.0
226.02678	2.9
227.03369	0.8
229.09833	1.1
230.10092	0.9
242.05421	0.9
242.10239	0.8
243.02983	7.9
244.17834	0.7
253.09283	1.0
254.02148	4.4
255.02946	2.8
271.02457	38.1
272.02939	2.8
289.14093	0.6
300.02731	42.9
301.03375	7.3
301.11819	1.1
302.12350	0.8
319.17700	0.8
363.20261	2.0
364.20618	1.9
409.21533	0.7
439.16052	0.9
444.22375	1.2
463.08807	100.0
464.09045	9.8
477.30402	3.9
478.30850	1.2
508.23944	1.5
569.26154	4.2
613.39636	0.8
631.40259	1.5
632.23163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42214	1.1
57.03453	2.1
59.01375	7.9
61.98832	12.9
69.24344	10.2
71.01373	2.2
87.00864	1.7
96.96003	7.3
99.08157	3.2
101.02430	1.2
102.67571	1.0
109.02985	1.2
111.00873	3.3
112.38160	1.0
115.59318	1.1
119.05007	1.6
123.04523	6.2
124.04836	2.0
125.02520	1.2
127.07658	2.3
129.05574	2.9
130.05963	1.4
149.02437	2.8
153.05492	1.6
154.05968	1.3
161.02475	1.1
163.00359	8.9
173.04564	4.1
174.04991	1.1
175.00327	1.3
176.01123	6.6
205.12386	2.3
206.12616	1.4
211.03926	2.0
213.05559	3.1
215.03462	3.3
227.03555	1.1
228.04430	1.4
239.03448	2.0
241.04997	5.3
242.02216	1.1
243.02881	6.5
250.11580	2.0
255.02940	3.3
256.03665	5.4
257.04449	7.9
267.02911	5.5
267.07785	1.4
269.04324	1.2
270.01730	2.5
271.02466	2.2
275.30298	1.2
283.02460	16.9
284.03152	5.0
285.04004	8.8
295.02536	1.3
309.13330	1.5
310.13367	2.5
311.02029	4.7
312.02744	25.8
313.03500	49.8
314.03912	2.7
349.07220	7.6
360.05844	1.4
361.07443	1.2
377.06720	5.7
406.06885	36.1
407.07303	6.0
475.08755	35.3
476.09006	3.7
557.49866	1.4
569.12952	100.0
570.13177	13.0
601.20477	2.2
632.22644	9.0
633.23138	7.2
646.66040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98325	0.4
56.35046	0.4
57.50082	0.3
59.01376	4.9
59.86810	0.4
61.98818	1.0
69.41296	3.3
71.01389	3.7
72.99307	0.6
73.42963	0.5
80.02659	2.4
83.05017	0.4
85.02929	1.2
87.00903	0.4
89.02445	2.9
93.03441	0.6
95.05002	1.1
95.08665	2.5
96.95992	0.8
97.06588	1.5
101.02443	1.8
105.07082	0.6
113.02435	1.2
114.91605	0.4
119.03500	1.0
121.06588	0.4
123.04513	15.7
123.07260	0.5
123.08152	8.4
124.01656	21.8
124.04799	0.7
131.03510	0.4
133.02933	0.5
135.04578	0.5
138.03230	3.6
139.07686	0.7
141.09212	12.1
152.04735	1.0
161.02449	1.0
161.04552	1.1
167.07121	100.0
168.07469	3.4
179.05585	1.9
185.08165	12.9
189.77739	0.4
193.05055	0.6
205.12285	0.4
230.04594	0.4
285.09937	0.4
327.67133	0.5
365.18097	1.5
368.16919	0.4
453.17621	54.8
454.17795	5.0
478.87775	0.4
517.13391	1.7
633.24310	3.2
634.24158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.1
59.01376	19.3
61.98814	1.3
69.03437	1.6
69.23367	7.0
69.23784	4.0
71.01379	47.7
72.99309	4.6
75.00871	33.9
83.01385	2.2
84.02164	1.1
85.02940	12.4
87.00869	7.9
89.02445	4.0
95.79633	1.3
97.02941	3.0
99.00869	10.5
99.08166	19.0
101.02442	2.9
111.00852	2.5
111.22251	1.1
113.02464	2.1
115.08907	1.1
123.04523	33.4
127.07655	18.9
129.01939	22.7
129.05563	18.2
131.03477	2.5
153.05560	15.7
159.03003	12.1
159.05296	1.3
161.04593	1.5
171.06560	3.2
177.04025	51.8
179.61386	1.4
195.05093	19.0
201.04016	2.6
233.31059	1.4
237.06157	4.2
258.85623	1.3
276.80453	1.3
285.09769	6.1
290.12680	1.2
291.01282	1.4
301.09451	1.2
349.11349	1.6
367.12668	1.4
457.17209	10.4
542.53357	1.2
599.20044	3.2
635.21912	100.0
636.22241	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	635.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.2
59.01382	21.6
68.47062	2.3
69.03458	3.2
69.13190	3.0
69.13430	7.3
69.13851	14.8
71.01382	33.4
71.26968	2.3
72.99313	6.1
73.02950	2.5
75.00864	26.9
78.10950	2.4
81.45910	2.2
85.02958	11.2
87.00872	3.8
89.02419	5.5
92.13557	2.1
96.59269	2.8
97.02895	3.0
98.19919	3.8
99.00875	16.6
99.08171	26.5
101.02440	6.9
123.04527	59.9
124.04828	2.5
125.02438	2.4
127.06732	3.2
127.07646	40.6
129.01938	23.3
129.05586	48.7
131.03455	3.0
153.05574	33.4
159.02934	5.4
161.04510	6.2
171.06528	10.7
177.04022	37.9
189.07654	6.9
195.05038	10.5
237.06000	2.5
285.09723	9.2
457.17117	35.7
458.17728	3.0
599.20422	2.4
635.21899	100.0
636.22162	9.7
659.08453	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	635.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73851	1.2
57.03432	4.5
59.01376	58.1
60.99312	9.8
61.98808	4.5
68.15841	1.2
69.40830	8.9
71.01370	4.3
73.02940	21.6
83.01382	1.6
85.02973	2.2
85.29192	1.1
87.00861	4.6
88.00372	1.7
88.98804	56.8
89.02444	13.9
98.19982	1.8
101.02428	2.2
113.02457	1.6
117.01952	1.4
123.04514	1.5
135.08066	1.2
135.11780	2.6
150.06813	2.2
161.09669	3.4
161.13348	11.7
163.03999	2.3
163.11235	4.9
187.11229	5.0
205.12334	29.3
206.12791	2.0
207.10255	10.1
208.10733	1.3
223.13383	22.9
249.11208	6.0
263.12817	4.7
267.12360	33.1
268.12659	1.7
281.34433	1.3
369.15530	1.3
452.94000	1.3
505.98453	1.4
535.21783	100.0
536.22174	12.4
565.92218	1.3
635.31293	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	635.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.7
59.01376	100.0
70.67439	4.3
71.01375	64.1
72.67932	1.4
72.99298	4.3
73.02939	23.6
80.91874	1.4
83.01382	7.6
85.02952	19.5
87.00863	4.2
87.11119	1.6
89.02438	42.5
95.01392	5.1
96.96013	10.8
99.00855	3.0
101.02438	40.4
104.00667	1.7
113.02432	34.0
115.00362	3.4
119.03503	17.5
119.04990	2.4
122.21740	1.7
125.02415	1.6
131.03510	2.8
132.04497	1.6
133.01425	2.9
140.04900	1.8
143.03459	6.1
149.04582	1.8
161.04535	16.8
163.03918	1.8
165.01945	1.6
179.05577	15.1
195.06569	1.8
225.14641	1.6
226.06314	18.0
241.08696	29.8
242.09090	2.1
253.08540	1.6
283.07855	1.6
286.46075	1.5
338.15207	1.6
357.09793	5.7
369.18973	7.0
387.20193	5.8
531.24506	51.5
532.24756	5.3
549.25415	29.4
550.25745	3.9
573.21423	2.0
591.26715	8.4
635.21368	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	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	0.7
59.01382	7.3
60.99008	1.1
60.99305	15.4
61.98823	8.6
65.08369	0.5
65.26807	0.6
68.15833	0.6
68.51528	0.5
71.01376	2.8
73.02942	1.0
82.76501	0.6
85.02946	1.1
87.00845	1.5
88.00409	1.3
88.98804	100.0
89.02449	10.1
98.20667	1.9
99.00851	1.1
99.52009	0.6
99.66851	0.7
101.02438	2.1
113.02507	0.6
119.03461	0.6
119.05021	2.7
123.04536	0.8
127.07654	1.4
133.03064	0.6
147.04572	1.7
163.04002	2.3
197.62413	0.7
205.12115	0.8
267.12363	2.1
281.94058	0.8
472.17841	0.8
635.32281	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	635.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75967	0.5
57.03451	0.5
57.24705	0.5
58.04178	0.4
59.01381	3.6
60.99306	17.2
61.98581	0.4
61.98833	4.5
62.52389	0.4
68.25298	0.5
71.01391	1.5
72.99311	0.9
72.99714	0.4
76.68508	0.5
83.01399	0.5
87.00882	1.1
88.00407	1.8
88.98804	100.0
89.02438	8.9
89.99181	0.5
97.88399	0.5
98.57619	0.4
99.08115	0.4
99.90472	0.4
101.02428	0.8
102.51382	0.4
119.05054	0.5
147.04486	1.3
186.02983	0.4
187.41884	0.4
190.96873	0.6
224.04836	0.8
239.07101	1.4
291.19553	0.5
309.20630	1.9
397.10803	0.7
493.30078	0.8
545.29974	0.5
603.15161	1.0
635.32135	0.8
638.81012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27579	0.8
55.43697	0.8
59.01360	1.5
60.99309	6.8
61.98814	3.0
69.13796	7.8
69.14210	1.8
73.06267	0.8
87.00889	4.4
88.00396	9.1
88.04031	1.1
88.98804	42.4
89.02440	100.0
90.02827	1.3
95.96809	1.0
106.04228	6.5
107.05039	1.0
108.02142	4.6
121.02914	1.4
157.29318	0.9
277.21521	1.1
333.95203	0.9
352.26440	1.2
361.27304	1.4
393.24347	3.1
411.25406	6.7
437.30487	1.9
455.31674	1.4
475.60489	1.0
543.34937	7.4
561.35828	40.8
562.36157	3.5
635.39502	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	635.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70646	0.5
57.03443	1.1
59.01379	69.1
61.98822	2.0
75.40588	0.5
78.95884	0.6
79.38426	0.6
81.03473	1.1
83.01389	2.2
83.04986	0.9
86.56303	0.6
95.05046	1.1
97.02957	1.3
97.06595	2.3
109.06602	0.7
119.08710	0.6
121.06602	1.0
123.04537	2.9
125.09711	4.2
137.09705	2.4
141.12698	0.6
146.58266	0.6
151.11229	0.7
163.11263	4.6
165.05588	0.6
165.12849	1.5
177.12874	0.7
181.12357	0.9
185.11847	6.1
191.14436	4.1
207.10207	2.8
209.11813	27.5
209.13808	1.4
210.12183	1.2
225.11296	3.4
245.19081	9.6
263.20087	1.2
271.16974	1.3
289.18088	32.4
290.18503	1.6
307.19141	100.0
308.19550	6.9
360.37790	0.6
643.23108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89036	0.5
55.01867	0.8
57.03434	1.8
58.00586	1.4
59.01375	29.8
61.98834	5.8
63.57965	0.5
69.03458	0.8
70.60496	1.4
70.60855	1.2
71.01378	26.5
72.99306	2.4
73.02941	6.6
75.00859	0.6
83.01394	2.7
85.02948	8.1
86.00079	0.9
87.00879	6.0
87.04488	1.3
88.98804	7.1
89.02438	18.9
95.01387	1.6
97.02944	1.0
99.00876	1.7
101.02440	18.7
105.01933	0.7
106.06628	0.6
111.00871	1.4
113.02438	9.5
119.03505	6.3
119.05007	2.9
123.04505	0.7
125.02436	1.8
127.07622	1.2
129.01897	0.8
129.05562	1.1
131.03520	4.4
133.29443	0.6
133.73050	0.7
143.03484	1.7
147.04462	1.0
150.05644	0.7
159.02995	1.2
161.04567	5.9
163.03969	4.0
171.06633	0.7
175.03883	0.7
179.05577	2.3
189.07727	0.7
208.75853	0.6
214.71463	0.5
221.06645	6.0
222.07199	0.6
223.17070	4.0
226.06352	1.0
235.17088	1.4
236.95735	0.6
241.05054	0.7
241.08572	1.3
275.20074	1.9
292.77539	0.6
293.21252	1.8
311.22195	4.8
349.15787	0.6
447.09219	0.7
455.26276	1.0
473.27167	2.8
635.32764	100.0
636.33203	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	635.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	87.5
61.98824	3.3
64.47981	0.9
67.57313	0.7
71.50951	1.4
101.25588	0.8
106.04232	3.0
108.02155	2.4
158.96957	0.9
198.79268	0.9
255.23190	1.1
277.21698	100.0
278.22092	6.5
285.26938	0.9
382.89401	0.8
411.25311	1.5
437.30542	1.5
450.62021	1.0
458.28012	1.0
517.18860	0.9
543.34668	2.8
561.35864	11.6
562.36792	1.1
635.39386	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	635.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.3
62.27845	0.8
64.56603	0.9
73.59600	0.8
78.95899	1.2
93.03459	1.6
101.99058	0.8
106.03565	1.6
106.04241	20.1
107.05034	2.9
108.02170	13.1
116.92840	3.6
118.89000	0.7
121.02930	1.1
138.03195	4.4
152.99496	0.9
180.78226	0.9
305.20999	1.0
337.35275	0.9
347.25861	1.4
361.27359	4.1
365.24866	0.9
380.25864	1.0
393.24417	8.5
397.23776	1.5
411.20294	1.6
411.25357	19.1
412.25729	2.3
437.30612	2.4
455.31601	2.5
540.05994	0.8
543.34772	27.0
544.34857	2.8
561.35809	100.0
562.36121	14.5
635.39459	12.1
636.39447	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	635.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48150	0.9
59.01379	1.4
61.98824	4.2
64.04852	0.8
65.02187	0.8
69.91118	1.5
69.91522	1.8
93.03428	1.4
106.04245	20.8
107.05003	2.9
108.01477	1.2
108.02168	13.2
111.79121	0.8
121.02927	2.8
123.41728	0.8
124.63731	0.8
138.03238	4.2
141.09183	1.0
153.68639	0.9
283.16965	4.2
297.18582	4.3
347.25665	1.2
361.27380	5.9
435.28604	0.9
453.30005	1.0
454.30664	2.3
455.31100	1.9
486.29868	1.7
543.26605	1.9
543.34747	22.3
544.35199	3.8
561.35803	100.0
562.36212	14.5
635.39355	15.8
636.39728	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	635.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98846	0.7
71.01374	2.7
88.60606	0.6
89.02432	2.9
95.95711	0.6
101.02426	1.2
109.84065	0.5
113.02424	1.0
119.03519	1.6
222.75508	0.6
243.91110	0.6
283.71909	0.6
365.16904	0.6
497.41785	0.6
544.91272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99375	2.2
56.57128	2.4
59.01368	2.9
61.98836	22.1
68.99590	4.6
70.06535	12.2
78.95913	13.4
88.10233	2.3
89.95194	2.9
112.98599	4.5
152.99623	7.4
255.23293	7.8
279.23294	100.0
280.23621	6.7
371.72165	2.7
635.34979	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	636.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18296	0.1
57.20629	0.1
61.98828	100.0
62.98551	0.2
69.14466	0.1
69.88754	0.1
71.50120	0.2
80.96523	0.1
81.86435	0.1
88.96923	0.1
92.44753	0.1
101.02491	0.1
118.76353	0.1
118.77203	0.1
277.21811	0.2
341.10825	0.2
347.47025	0.1
436.99673	0.1
578.27191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41080	0.2
61.98827	100.0
66.34737	0.2
70.19417	0.2
70.63095	0.4
74.55008	0.2
77.72194	0.1
79.81464	0.1
80.96516	0.2
87.94518	0.2
89.85325	0.1
158.99925	0.2
177.46126	0.2
196.64322	0.2
201.98787	0.2
269.66440	0.2
279.02115	0.2
320.34821	0.2
339.60675	0.2
577.27539	0.2
578.27551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63905	0.4
53.70533	0.4
55.01871	0.6
58.00588	1.0
59.01378	100.0
60.01707	0.7
61.98834	1.7
69.03452	1.1
69.45644	3.1
71.01379	24.8
72.99305	1.0
73.02947	27.3
73.74445	0.4
75.00871	0.8
81.03461	0.5
83.01385	9.4
85.02953	5.5
87.00890	1.1
89.02441	6.9
95.01392	1.3
97.02982	0.4
98.20699	0.8
99.00912	1.1
101.02440	33.9
102.02788	0.7
113.02455	12.8
113.03268	0.6
115.00360	0.5
119.03508	5.9
123.04525	1.6
125.02454	1.6
128.18947	0.4
129.05679	0.5
131.03508	4.2
137.02463	0.6
143.03490	5.1
149.04561	11.3
153.05548	0.4
155.03488	0.9
161.04552	21.1
162.04968	0.5
195.99297	0.5
203.05595	3.9
221.06656	12.1
222.07117	0.5
227.07100	0.5
251.43660	0.4
283.11938	1.6
325.12881	4.1
454.58533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.7
61.98830	22.4
69.03461	1.0
71.01384	1.1
71.50717	1.5
77.35686	0.8
83.82471	0.8
97.02954	2.8
111.08157	4.3
123.04510	2.6
125.09727	1.1
137.09727	1.7
163.11273	1.1
165.12839	2.7
169.12410	1.1
171.10233	2.2
189.07693	0.9
197.11855	14.3
202.53093	0.9
209.11794	1.2
211.13286	1.8
247.20700	1.6
273.18347	1.4
283.06595	0.9
291.19675	17.7
309.20706	100.0
310.21130	7.7
637.31390	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	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59468	0.6
54.04447	0.6
59.01380	13.6
61.98818	3.0
69.74305	3.8
71.01391	1.0
115.77629	0.7
121.02956	0.9
123.04528	1.3
128.04787	0.6
163.11255	1.2
165.12843	3.5
179.14351	1.5
181.12311	1.9
193.15892	1.1
193.85258	0.6
209.11870	1.1
223.13326	1.7
227.67860	0.7
242.15634	0.7
247.20644	4.3
273.18564	0.8
291.19656	40.7
292.19922	3.3
309.20691	100.0
310.21051	7.7
314.43594	0.7
435.80844	0.6
554.44830	0.8
637.39325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57497	0.8
51.97519	1.1
59.01380	13.5
61.98833	8.8
71.01377	1.3
71.50620	1.3
88.98804	1.1
89.02418	1.0
94.19743	0.9
111.08167	7.8
119.05034	1.6
163.03952	0.9
169.12329	2.2
172.16440	1.0
197.11827	33.8
198.12123	1.9
199.13438	1.5
209.11804	3.3
210.92297	1.0
211.13315	4.3
263.20090	2.2
273.18661	1.4
291.19437	4.8
309.20685	100.0
310.21121	7.9
386.04642	1.0
395.93875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01377	21.6
61.98822	9.7
65.03969	4.8
69.03463	2.1
70.85114	1.9
70.85450	1.6
71.01379	14.2
72.99291	1.6
73.02934	2.5
73.42604	0.7
81.03398	0.8
83.01389	2.4
85.02953	4.4
87.00896	4.5
87.55984	0.8
88.98754	1.2
89.02434	7.0
91.05499	2.0
91.43607	0.8
92.26082	0.8
93.03449	1.3
95.01374	0.9
95.05004	1.7
97.02939	1.2
97.06591	2.5
98.20479	0.9
99.00887	1.5
99.04572	0.9
101.02448	11.1
105.07066	1.7
109.06568	1.9
113.02440	5.8
115.05499	3.1
119.03447	1.1
119.04970	1.3
123.04530	2.2
123.08113	1.7
125.09716	15.2
131.08629	1.0
133.04930	0.8
133.10220	2.0
135.08125	1.8
143.03479	1.0
145.05025	1.6
147.04504	1.4
161.04512	2.7
163.11293	1.5
171.10219	2.1
185.10013	1.3
185.11783	4.6
187.09732	1.4
187.14937	9.8
195.11685	1.8
201.12744	1.5
205.12300	1.8
207.10159	3.4
209.11815	11.0
213.12878	8.4
215.10741	1.1
221.15474	1.1
225.11089	1.2
227.14348	1.0
231.13867	26.7
232.14247	1.2
233.11856	2.0
235.08205	3.0
235.13409	1.3
245.15486	1.3
247.13245	1.1
249.14943	2.8
253.09203	2.4
261.14890	1.2
285.15082	1.1
309.20764	0.9
329.24951	1.2
339.23117	4.1
355.22879	1.2
357.24301	3.0
365.21213	2.3
373.23715	1.9
383.22308	19.2
384.22250	1.1
391.24976	1.9
401.23288	23.7
402.23523	2.6
419.24234	2.7
457.26187	1.0
465.95959	0.9
609.32837	1.0
619.31189	100.0
620.31738	11.9
623.96106	0.9
637.32166	65.1
638.32684	7.2
657.76794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98829	100.0
64.71436	0.1
77.93868	0.1
98.20660	0.4
103.74272	0.2
115.95197	0.2
150.17397	0.2
152.08131	0.2
153.85765	0.2
304.58359	0.2
309.20322	0.2
334.41080	0.2
468.97931	0.2
618.70160	0.2
663.96851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.63193	0.2
72.99313	0.9
79.09141	0.1
89.02451	0.2
102.45326	0.2
116.20376	0.2
192.18318	0.2
196.22855	0.2
211.11775	0.2
219.98575	0.2
277.21640	1.3
413.27151	0.5
420.23532	0.2
510.36108	0.2
510.82104	0.2
556.28882	0.4
575.32446	0.3
576.65906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12921	0.9
67.60989	1.0
69.38084	5.0
69.38490	3.1
86.97939	1.1
107.01379	2.3
110.23229	1.0
138.02248	0.9
151.00385	6.4
163.00333	1.5
164.01038	1.1
214.02756	2.3
227.03505	1.9
241.01422	3.3
242.02208	25.0
243.03043	6.3
244.03375	1.4
245.00865	5.5
254.02278	1.5
255.02905	2.1
257.04669	2.1
262.09415	1.1
263.17923	1.1
270.01682	37.7
271.02408	12.6
285.03995	13.1
286.04614	2.4
298.01202	8.4
299.01959	6.9
300.02740	28.4
301.03174	1.3
312.02890	1.5
313.03519	96.3
314.04144	20.4
315.05093	76.1
315.08856	2.0
316.05453	4.0
357.06128	4.9
461.07022	3.6
476.09634	21.4
477.10339	100.0
478.10727	9.6
519.11542	4.9
561.11499	1.6
639.15643	39.9
640.15961	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	639.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96637	0.5
59.01371	4.2
61.98825	1.0
67.69902	0.6
69.68371	2.7
69.68790	0.9
73.02935	0.6
83.01402	0.8
87.00885	1.2
88.98795	2.6
89.02458	2.1
93.03464	1.0
98.19903	1.0
101.02440	2.1
113.02438	0.9
115.00372	1.2
123.04523	3.6
125.02425	0.5
136.07813	0.6
137.02461	2.4
137.13499	0.6
149.06094	2.0
151.00351	1.6
152.01149	0.6
161.04524	1.3
165.05472	0.8
167.90463	0.6
169.01450	0.6
175.02585	0.7
179.05650	1.1
183.13962	0.7
198.03214	0.8
209.08157	3.1
211.13348	12.0
213.14922	1.7
214.02708	2.3
235.13425	0.7
239.79552	0.5
241.01384	1.7
241.14432	7.4
242.02171	17.3
243.02650	1.1
245.00858	4.6
251.13046	1.0
253.09332	3.6
253.14421	1.1
254.02165	1.0
257.04361	0.6
270.01657	26.4
271.02237	3.4
285.04013	11.3
289.50790	0.6
298.01178	6.8
299.01849	3.9
300.02573	1.1
313.03513	100.0
314.04065	10.7
315.05045	7.1
316.05676	0.6
335.13373	0.8
371.13492	4.0
383.09595	0.6
447.22321	3.7
471.69193	0.6
476.09436	4.5
477.10248	5.0
477.23318	6.7
489.23462	1.6
506.33200	0.7
517.22528	0.7
639.15607	83.8
640.15991	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	639.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98822	0.9
63.96738	0.5
69.03464	3.6
79.01878	0.8
81.03456	1.0
83.01381	1.7
85.02946	1.3
87.00852	0.9
88.98744	0.6
91.83665	0.7
93.03423	0.9
95.01394	2.8
96.00880	0.8
97.02948	2.7
98.20677	1.3
100.18808	0.6
101.02457	1.2
105.19538	0.6
107.01383	2.6
108.02183	0.7
109.02955	1.0
113.02460	0.9
115.00337	1.4
117.03476	4.8
119.05022	12.0
121.02887	0.9
123.00890	11.8
123.04485	1.2
124.00743	1.0
124.01665	23.4
125.02454	40.8
136.01727	1.0
137.02478	3.5
139.87354	0.6
145.02956	26.7
146.03241	0.9
149.02429	0.9
149.99590	32.1
151.00400	4.1
153.01892	0.6
153.78499	0.7
163.04031	8.4
166.99828	1.2
167.03552	1.4
168.00644	59.7
169.01431	8.2
174.90625	0.6
179.03549	0.6
180.06696	0.7
199.20561	0.6
211.13324	1.7
287.07687	0.6
307.08240	4.1
313.05655	2.2
321.71716	0.6
331.06622	3.3
370.77756	0.6
423.78214	0.7
433.11084	0.8
477.10327	4.5
511.80060	0.8
513.23486	0.7
568.23358	0.7
621.14581	1.1
639.15649	100.0
640.16040	10.3
650.03986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06350	0.3
55.01905	0.3
55.48598	0.3
56.09095	0.3
57.03453	0.3
58.63235	0.2
59.01379	13.5
61.98834	1.4
70.62959	0.5
70.63330	0.6
71.01378	6.9
72.99306	0.6
73.02959	0.5
83.01396	0.6
85.02930	1.5
87.00893	0.4
89.02443	5.9
97.02912	0.3
99.00945	0.4
101.02444	4.2
104.05062	0.3
106.06601	1.6
107.03811	0.3
112.61356	0.2
113.02463	1.8
116.92879	0.7
119.03491	2.1
122.06165	0.8
129.50563	0.3
130.02983	2.9
134.06122	14.3
135.06488	0.4
139.96922	0.2
140.16920	0.2
152.07175	1.8
158.02501	0.3
158.79942	0.3
160.04140	0.4
174.01956	22.4
175.02356	0.8
179.05634	0.4
186.01953	2.6
187.02655	0.6
193.24222	0.3
200.03514	2.6
249.10223	0.5
265.09818	0.7
267.11292	0.3
293.09320	4.8
294.09656	0.5
306.06741	0.3
311.10379	0.3
314.12543	1.1
321.08765	22.8
322.05890	0.3
322.08981	1.7
339.09756	0.3
441.35004	0.3
473.15619	3.1
474.16177	0.5
501.15106	100.0
502.15439	11.0
574.40588	0.3
639.21869	8.8
639.33130	0.6
640.22180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03438	5.3
58.00575	1.9
59.01378	32.5
59.78092	1.2
61.98535	1.7
61.98825	18.1
65.03964	2.5
69.69110	7.4
71.01383	27.2
72.99303	2.1
73.02949	6.8
78.67875	1.1
81.03443	2.4
83.01377	4.2
83.05029	8.5
85.02938	7.6
85.06572	1.9
86.00105	1.9
87.00874	8.9
89.02435	15.0
91.05510	1.8
95.01384	2.4
95.05029	2.2
96.49627	1.4
97.02963	2.9
97.06582	4.4
101.02432	19.0
105.07095	1.4
107.08678	1.6
109.06581	2.1
111.00808	1.4
111.04488	1.6
111.08173	9.0
113.02454	10.8
119.03479	3.0
119.05009	2.4
121.06642	1.7
123.08079	2.6
125.02450	2.3
125.09726	12.3
131.03468	1.3
133.05077	2.0
133.06602	1.7
135.08142	4.1
137.09734	3.6
143.03484	1.4
145.05035	3.4
147.04523	2.0
161.04543	5.9
163.11324	2.3
171.10265	95.7
172.10591	3.2
179.05632	3.6
179.17314	1.1
182.42407	1.3
185.11728	2.9
187.14871	4.3
189.16380	1.8
205.15942	6.9
209.11853	13.5
211.13383	19.5
213.12901	2.3
215.14458	9.6
221.15428	4.3
223.69156	1.2
231.13918	7.7
233.15457	39.0
234.15683	2.6
235.08203	13.2
235.13348	1.9
237.14937	1.5
249.14929	44.6
250.15335	3.7
251.16376	1.6
253.09370	8.7
257.17493	1.7
331.26398	3.9
341.24689	6.6
359.25668	3.3
367.22714	7.6
375.25375	6.4
385.23825	33.7
386.24222	2.9
393.26511	1.7
403.24872	61.9
404.25327	5.6
407.19025	2.7
409.54022	1.2
421.25912	18.4
466.78253	1.6
467.23093	1.6
477.28458	1.6
485.23755	4.5
495.29428	1.8
595.31696	1.6
609.88385	1.4
611.34100	4.0
621.32782	100.0
622.32983	14.4
639.33752	65.8
640.33984	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	639.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58890	0.3
54.71634	0.2
55.01869	1.3
57.03450	0.7
58.00596	2.0
58.88445	0.3
59.01376	40.7
59.82750	0.3
60.01708	0.4
61.98824	1.2
68.99828	0.6
69.03452	2.1
71.01376	33.6
72.99307	2.5
73.02941	5.6
75.00880	0.7
76.47149	0.3
76.75758	0.3
81.03454	2.3
83.01378	3.6
85.02946	8.3
86.00060	0.4
87.00870	8.9
89.02438	33.1
90.02806	0.3
91.04015	0.7
95.01369	2.4
95.05043	0.4
97.02940	6.2
99.00875	2.3
99.04509	0.5
101.02434	27.5
103.03988	0.3
105.53791	0.3
109.02955	0.8
111.00899	0.6
111.04502	0.9
113.02444	14.5
115.04004	0.8
119.03484	10.6
121.02975	0.8
125.02433	13.0
127.04004	0.6
129.01903	0.4
131.03468	1.5
133.05064	0.9
139.04005	1.0
141.01872	0.4
143.03484	5.9
149.04532	1.4
161.04550	7.1
167.03508	0.7
169.04927	0.4
171.02966	0.5
179.05585	6.5
181.05069	0.3
185.04567	0.8
199.06053	0.7
199.91171	0.3
203.05582	0.4
217.07166	1.7
219.05080	0.5
221.06654	2.5
235.05791	0.7
235.08188	12.8
236.08511	0.5
241.21696	100.0
242.22050	5.1
245.06694	0.6
253.09277	3.3
255.23192	0.8
259.08133	0.3
263.07666	1.1
277.09186	0.6
287.07681	3.6
305.08746	3.9
306.09421	0.3
323.09796	1.6
361.11591	0.4
379.12543	0.9
397.13446	80.7
398.13770	4.5
415.14536	30.6
415.18900	0.4
416.14975	1.7
551.78870	0.4
554.55823	0.3
639.36041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
60.31330	0.2
61.98827	100.0
63.99253	0.2
64.98864	0.2
69.40427	1.6
70.99800	0.3
71.01382	0.6
96.96035	0.4
112.98650	0.2
129.05522	0.2
136.05296	0.6
144.71255	0.2
165.09271	0.4
183.14017	0.3
199.19710	0.2
211.13359	5.7
351.21613	1.2
393.11450	0.3
432.10052	1.1
436.13235	0.8
446.11591	0.5
447.12405	2.5
447.22354	0.4
456.01846	0.3
464.12518	1.5
479.14960	7.8
595.69507	0.3
640.24426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98828	100.0
65.63720	0.2
69.20925	1.3
69.21328	0.5
71.01399	0.3
76.36061	0.2
84.62216	0.2
91.50543	0.2
96.96043	0.2
103.43756	0.2
125.40141	0.2
142.45674	0.2
181.38063	0.2
183.13925	0.5
194.31918	0.2
210.06741	0.4
211.13391	8.1
224.04893	0.3
239.07167	0.3
253.09380	0.5
257.95370	0.2
314.08105	0.2
322.86972	0.2
361.90207	0.2
447.12524	0.4
447.22498	0.4
464.12540	0.4
469.56790	0.2
479.15195	1.3
640.34155	0.7
641.20117	1.3
641.36249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98826	100.0
69.82657	1.0
71.01406	0.4
95.66395	0.2
96.96023	0.2
99.31889	0.2
117.06471	0.2
150.06911	0.3
160.84247	0.2
211.13402	2.1
224.34738	0.2
288.80972	0.2
309.20776	0.3
311.21991	0.3
312.22742	0.3
315.27011	0.2
369.24313	0.3
387.25562	0.3
405.26440	0.8
479.37869	0.2
510.11862	0.3
641.23718	0.3
641.35297	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	640.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98827	100.0
70.61128	0.7
76.39545	0.2
101.02452	0.2
150.06848	0.6
158.73477	0.2
160.84258	0.4
179.10616	0.2
211.13402	2.3
241.69037	0.2
311.21545	0.3
325.25183	0.3
343.26382	0.4
356.24252	0.2
359.40698	0.2
361.27551	0.2
369.24612	0.4
387.25397	0.5
405.26611	1.3
426.63766	0.2
479.37280	1.2
641.21198	0.2
641.23279	0.3
641.35266	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	640.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67273	0.2
59.01373	0.8
61.98827	100.0
69.17374	2.1
71.01384	0.3
101.02467	0.2
115.69794	0.2
125.98535	0.2
134.06204	0.2
135.59726	0.2
139.09235	0.2
156.50847	0.2
156.86299	0.2
158.31194	0.2
183.13927	0.5
194.01848	0.2
208.05107	0.2
210.06906	0.6
211.13370	7.0
224.04778	0.3
225.05623	0.2
253.09297	0.4
354.31973	0.2
447.22351	0.4
458.89719	0.2
464.12769	0.5
479.15021	1.6
640.34845	0.7
641.20111	1.6
641.35815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46971	0.2
52.82259	0.1
58.16607	0.1
58.18757	0.2
59.01384	0.5
60.01102	0.1
61.98830	100.0
62.98531	0.2
70.76051	0.4
72.76717	0.2
83.72777	0.2
95.11395	0.2
96.69147	0.2
97.15205	0.2
104.88094	0.2
138.50899	0.2
163.04063	0.2
171.64304	0.2
185.15242	0.2
192.20174	0.2
197.11815	0.4
211.13431	0.8
309.20886	0.5
312.22607	0.2
331.18954	0.2
355.49365	0.2
405.26318	0.4
412.55139	0.2
641.35193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17230	0.8
58.00593	1.4
59.01375	8.5
61.98820	1.7
64.38292	0.9
68.03104	0.8
71.01384	6.0
72.99309	3.0
73.02956	1.4
83.01385	2.7
85.02949	1.7
87.00873	9.1
88.98760	1.0
89.02434	3.1
93.03449	33.5
95.01395	2.5
96.96008	1.3
98.20605	2.2
99.00885	3.5
101.02429	2.6
107.05064	1.7
113.02460	1.9
113.99582	18.7
115.00369	32.6
119.05011	3.7
123.00874	29.6
123.04529	2.2
129.01962	1.6
131.05022	1.4
133.02946	10.5
135.04593	1.5
137.02428	1.8
138.03229	39.1
138.07144	0.8
139.00357	3.5
142.34843	0.9
147.04535	4.1
149.06088	2.7
151.03979	2.0
153.05571	17.9
156.00696	1.6
157.01404	9.3
161.39764	0.9
163.04030	2.9
165.05574	13.2
166.99849	12.3
175.02483	29.5
175.03998	1.8
176.02805	1.4
177.02036	1.1
177.05536	5.3
181.05054	3.4
182.02203	38.1
183.02579	1.3
184.06248	1.4
193.05080	9.5
197.04546	100.0
198.04814	2.8
203.03523	1.4
208.04245	1.0
219.06555	1.5
221.04535	53.2
222.04932	1.6
227.03571	1.1
239.05501	1.2
241.05055	2.2
242.02008	1.0
243.02454	1.1
263.05511	1.3
271.02243	2.0
281.06699	2.4
300.02646	1.4
301.03152	1.5
302.03760	0.9
313.03427	2.7
314.03912	3.9
315.04608	5.1
316.05664	1.9
317.05661	1.8
359.09799	23.4
360.10486	1.6
443.19208	23.4
444.19681	1.7
467.20239	1.1
477.10300	1.7
478.10336	2.9
479.11508	4.6
551.34076	1.1
601.63928	1.0
641.15149	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	641.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76068	0.5
59.01368	0.6
60.41269	0.5
60.68715	0.5
61.98838	0.6
69.96967	0.7
69.97264	2.6
89.02433	0.7
91.40459	0.5
93.39902	0.5
99.76000	0.5
108.02216	0.5
113.02437	0.6
119.05054	1.1
120.34751	0.5
195.04456	0.6
213.05568	16.7
213.07614	0.8
224.04863	0.7
227.07149	0.7
239.07166	1.5
240.04271	1.2
241.05055	100.0
242.05746	16.6
243.06422	0.8
255.06589	6.9
256.07404	67.4
257.08163	27.6
258.08481	1.5
297.07547	0.8
419.13464	85.8
420.13864	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	641.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14248	1.4
58.39639	1.2
59.01373	6.1
61.98834	12.6
69.18446	5.2
69.18859	7.6
71.01378	4.0
71.97417	1.2
81.03449	2.7
85.67859	1.2
88.95897	1.3
89.02454	2.6
101.02479	2.0
113.02431	2.0
116.92879	1.8
122.03749	3.7
125.02444	9.2
127.07604	1.7
134.03705	1.7
147.04576	1.5
147.61302	1.3
151.00380	2.2
169.06665	1.4
173.06071	3.3
181.18227	1.3
193.05115	2.3
213.09215	24.2
239.07187	2.8
257.08173	100.0
258.08481	7.5
263.07230	2.2
271.09686	2.7
281.08197	14.1
281.50879	1.3
299.09171	7.7
300.68011	1.3
311.09003	1.9
350.91000	1.3
419.13425	65.6
420.13794	5.9
464.79285	1.7
641.36493	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	641.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	6.3
63.54145	1.0
71.01363	3.6
73.02937	1.6
78.88186	1.0
85.02917	1.2
85.76485	0.9
89.02439	2.0
99.04496	1.5
101.02464	2.1
113.02427	1.8
116.92887	6.3
119.05036	1.5
123.04520	2.5
125.32850	0.9
129.05569	1.7
129.73425	1.0
156.99605	1.8
161.04501	1.4
163.03961	1.1
174.01677	1.1
203.86319	1.0
207.13864	1.5
209.11784	2.5
225.14957	62.8
226.15291	2.9
227.12848	3.8
261.93951	1.0
269.13931	19.8
287.15030	5.3
329.07098	1.0
329.16119	12.4
334.54553	1.2
387.20184	3.0
431.19510	1.3
479.31934	1.2
503.15466	1.4
537.23401	4.0
555.24481	2.5
597.25165	8.6
598.25354	1.4
641.37097	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	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52965	0.9
51.31155	0.9
54.50032	0.8
57.03445	1.1
59.01377	9.2
61.98538	1.3
61.98827	16.8
69.43796	2.9
69.44218	3.4
71.01382	5.4
73.02972	1.2
83.05003	1.2
85.02940	2.1
89.02454	4.4
100.97286	0.8
101.02419	4.0
104.15145	0.7
108.85819	0.8
111.08086	1.1
113.02448	2.1
141.38217	0.8
183.13904	1.3
211.13365	12.0
231.17494	0.9
239.16522	2.7
241.18062	2.8
245.11536	1.7
247.13321	0.9
253.09227	3.8
267.19672	0.9
275.16644	1.1
309.20599	2.3
313.25354	1.3
315.26923	2.6
325.25323	7.7
333.27930	1.7
341.24817	4.3
343.26416	4.9
351.23242	1.4
359.25809	3.3
361.27393	2.4
369.24243	6.9
370.24384	0.9
387.25317	11.8
405.26382	27.6
406.26819	2.7
415.09473	1.1
447.21829	1.2
543.78772	1.0
641.35339	100.0
642.35486	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	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03444	1.1
59.01112	0.8
59.01379	10.5
61.98832	17.0
70.34805	1.7
71.01382	7.8
72.99294	0.5
73.02921	1.4
81.03494	0.5
83.01375	0.9
83.05030	1.5
84.01631	0.5
85.02952	1.6
87.00855	0.9
89.02447	5.1
90.07331	0.5
90.64939	0.5
95.01382	0.7
95.05005	0.9
97.06598	0.9
101.02454	6.5
107.05000	0.8
109.06602	1.5
111.08134	1.2
113.02453	3.2
114.80950	0.5
119.03461	1.0
119.46370	0.5
135.08183	1.1
137.09756	1.4
150.06900	0.7
158.14961	0.5
161.04550	1.6
161.09642	0.7
163.07671	0.5
169.06566	0.6
177.12732	0.6
183.13879	2.3
193.12291	0.7
195.17491	0.6
199.13321	0.7
203.14442	0.7
204.14830	0.6
210.06818	1.1
211.13394	32.7
212.13728	1.6
213.14932	1.5
231.17487	1.2
237.18513	0.9
239.16486	3.1
241.18068	2.0
245.18970	0.7
247.13385	0.7
251.07127	0.7
253.09317	5.2
263.16501	0.6
265.18225	1.1
275.16528	1.1
277.18127	1.2
313.25162	0.9
315.26862	3.3
317.28616	1.6
325.25449	6.1
326.25418	0.8
333.27988	1.3
341.24826	2.9
343.26398	4.8
351.23212	1.4
352.23535	0.7
359.25882	4.9
360.26337	1.0
361.23654	0.6
361.27237	3.0
369.24310	7.2
370.24500	0.8
377.26932	1.2
379.28372	0.7
387.25403	15.9
388.25662	1.0
405.26440	33.7
406.26880	2.8
415.10080	1.0
447.22095	1.0
464.12274	0.7
479.15103	4.3
623.34918	0.9
641.35394	100.0
642.35754	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	641.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23943	0.6
53.72752	0.7
59.01369	3.6
61.98829	17.5
66.44572	0.8
69.03438	2.7
71.01371	2.2
71.50566	1.3
78.95895	2.3
85.02953	0.9
87.00818	1.0
89.02415	1.0
97.02943	11.0
101.02429	1.0
113.02458	1.2
114.42719	0.7
118.46578	0.7
125.06078	1.0
135.08109	0.7
138.24382	0.9
152.00867	1.3
152.99579	2.6
163.47987	0.7
178.02492	1.8
183.13860	6.6
191.03159	1.3
193.12289	2.0
209.06175	1.0
210.01418	1.7
211.13376	100.0
212.13701	5.6
219.06348	1.7
233.11604	0.9
235.08214	1.1
238.06342	3.5
253.08772	10.9
261.11020	16.2
262.11813	31.7
263.12195	0.9
291.19556	2.1
294.11029	4.3
305.10861	0.8
309.20670	5.5
328.73914	0.8
329.08035	4.0
331.18866	40.7
332.19357	3.6
335.11691	0.8
357.07748	6.8
358.08212	1.7
372.10028	6.2
373.10327	0.9
387.12274	9.9
388.12653	2.0
439.57095	0.8
447.22363	4.1
515.34015	0.8
572.31940	0.9
623.34698	1.9
626.18854	1.2
641.21851	9.7
642.22144	2.5
649.49402	0.8
652.28198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14156	0.4
57.03453	4.5
59.01373	2.1
61.98828	100.0
71.01386	1.9
73.02977	0.7
84.72054	0.4
85.02953	0.8
89.02469	0.6
95.01326	0.4
95.05019	1.5
99.08159	19.2
100.08495	0.6
101.02438	1.2
105.01873	0.4
105.03486	0.7
109.06615	0.7
113.02457	1.1
123.04523	52.1
124.04869	1.6
127.07650	33.3
128.08009	1.2
129.05573	11.5
130.05949	0.5
138.03210	0.7
145.97916	0.4
149.02422	0.5
153.05569	37.5
154.05931	0.9
161.04562	4.9
171.06636	8.8
189.07718	1.6
205.29225	0.5
256.63934	0.4
285.09793	14.6
286.10291	0.6
457.17130	39.1
458.17499	4.7
588.36279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34680	0.2
59.01378	0.5
61.98829	100.0
69.61321	1.0
71.01392	0.3
105.01942	0.3
112.53782	0.1
119.05051	0.6
123.04537	0.3
127.06169	0.2
153.05487	0.2
157.48923	0.2
163.03978	1.4
201.74294	0.1
205.51224	0.2
222.74100	0.2
265.41013	0.2
283.09793	1.4
316.04181	0.2
375.16620	0.3
405.15439	0.2
445.14999	2.2
445.20444	0.2
461.17661	0.2
513.42981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56781	0.2
55.06455	0.2
58.02953	0.2
59.01376	0.3
61.98829	100.0
68.32185	0.2
86.76978	0.2
98.19843	0.4
99.00887	0.3
102.26265	0.2
124.55726	0.2
144.04590	0.6
188.03517	3.5
220.06131	4.0
220.08124	0.3
257.46667	0.2
319.38324	0.2
326.10400	0.5
472.43491	0.2
642.19220	0.2
643.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39514	0.5
58.77828	0.5
59.01375	4.1
61.98844	2.2
68.86997	0.5
69.75776	2.5
71.01414	2.0
73.96657	0.5
77.68343	0.5
88.79245	0.5
89.02459	1.1
96.09209	0.5
96.96028	1.3
98.19968	0.6
101.02470	1.1
113.02457	0.7
167.04984	0.9
169.06625	3.5
171.04570	1.8
171.06671	0.6
183.04651	0.6
185.06059	2.5
195.04562	0.8
197.06042	1.2
197.12033	0.7
199.04065	1.1
209.06142	1.2
211.04034	2.0
213.05566	19.3
213.07628	1.0
214.05936	1.3
223.04019	2.8
224.04761	0.9
225.05544	4.2
226.06329	10.1
226.08401	0.7
227.07051	1.6
239.03401	3.2
239.07204	1.3
240.04381	1.4
240.07736	0.9
241.05034	38.8
241.08549	4.1
242.05502	2.5
250.30609	0.5
256.07434	1.9
325.71472	0.5
389.11792	1.1
405.11240	4.0
406.12067	0.9
423.12320	2.6
431.13104	1.1
433.10944	1.5
434.11533	11.2
435.12369	3.3
445.85712	0.7
447.12476	0.9
448.13049	6.0
449.13919	18.5
450.14243	1.9
451.11874	3.0
463.15500	6.9
464.12198	1.3
465.13327	6.6
466.14175	41.4
467.14478	4.3
478.11029	0.7
479.14471	0.6
480.15689	3.6
481.16541	100.0
482.16907	11.0
643.21796	90.6
644.22211	13.1
649.23077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98832	1.6
69.75877	3.0
71.01360	1.9
83.90678	0.6
88.77200	0.7
96.40559	0.6
101.02421	0.8
101.97092	0.7
111.36032	0.6
112.98574	0.9
114.93420	1.6
115.00379	1.2
127.04006	1.1
136.86887	0.6
164.25261	0.7
197.06091	1.2
197.12012	0.9
198.06876	0.9
209.11916	1.1
211.03986	1.3
213.05544	3.9
224.04791	4.2
225.05470	2.8
226.06351	5.7
239.07159	4.0
241.05049	11.1
256.07364	1.2
405.11127	2.1
417.11325	6.1
421.10754	7.4
422.11536	4.9
423.12192	1.6
432.09729	0.8
433.10605	3.7
434.11545	14.7
435.12189	5.2
437.13895	15.7
438.14133	1.4
447.12546	1.3
448.12982	3.7
449.14102	3.8
451.12057	1.0
463.15485	5.4
465.06992	0.7
465.13477	2.8
466.14166	11.8
467.14511	0.8
479.14999	1.8
480.15756	44.5
481.16476	45.9
482.16809	5.1
643.21790	100.0
644.22174	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.12572	0.5
61.16063	0.6
61.98823	4.6
64.94944	0.5
70.85954	1.6
89.02451	0.8
101.02454	0.6
120.91897	0.6
143.04982	0.6
157.93947	0.6
169.06606	1.6
171.04556	1.0
182.07370	1.2
185.06207	0.8
195.04442	1.5
197.06136	1.2
209.06085	0.6
210.06857	31.3
211.04028	1.5
211.07285	2.4
211.13423	1.0
212.04771	1.7
213.05580	8.4
214.99533	0.7
223.04044	1.7
224.04890	1.6
225.05643	5.3
225.09131	5.8
226.06358	11.3
227.07042	1.6
239.03551	2.0
239.07106	1.4
240.04300	2.4
240.08041	0.7
241.05112	24.7
241.08752	9.4
241.10945	0.7
242.05652	3.4
251.68539	0.6
255.06592	5.0
256.07211	1.0
267.39822	0.6
298.94565	0.7
406.12393	0.8
416.10526	0.9
417.11227	3.8
419.09338	1.1
433.10754	2.4
434.11533	12.5
435.12302	9.9
449.14114	5.0
465.13248	2.6
466.14203	19.4
467.14597	2.4
480.15564	1.3
481.16568	100.0
482.16910	13.6
558.31567	0.7
643.21893	33.0
644.22314	5.2
644.32178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
61.98824	10.5
69.76385	4.6
71.01385	4.2
77.16615	0.7
79.94211	0.8
85.11916	0.7
85.65465	0.7
89.02426	3.7
98.11567	0.7
101.02394	1.2
103.68545	0.7
113.02434	1.8
116.20974	0.8
119.03487	1.3
119.05000	1.8
145.31876	0.8
168.52644	0.8
171.59581	0.8
195.04433	1.4
196.05281	1.7
197.06001	1.8
223.03986	1.9
224.04628	4.7
224.49496	0.8
225.05559	5.8
226.06314	5.0
227.07066	1.6
237.05629	1.1
239.07082	2.6
390.12671	1.4
405.11288	4.1
419.09030	1.4
421.10715	1.8
422.11365	1.5
423.12396	1.6
432.09821	1.3
433.10776	5.1
434.11581	25.5
435.12488	4.9
437.13931	3.5
447.12222	3.5
448.13031	8.6
449.14044	6.0
450.10684	1.6
451.11584	3.2
463.15524	13.0
464.12698	1.2
465.13232	8.9
466.14081	11.9
467.14462	1.9
479.14761	1.7
480.15704	21.9
481.16519	63.1
481.35400	1.5
482.16931	8.0
535.83514	0.9
597.17603	4.7
598.17743	1.1
627.18567	3.2
628.19055	1.1
643.21753	100.0
644.21997	14.4
657.43481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88375	0.3
58.00583	0.4
59.01382	5.3
61.98830	6.7
63.22852	0.4
69.20121	0.8
69.20526	2.7
71.01384	4.2
73.02960	0.4
75.00875	1.3
75.48073	0.4
83.04994	0.6
84.58669	0.4
85.02950	0.7
87.00932	0.4
89.02447	2.6
98.20709	0.5
101.02445	2.5
111.08167	0.4
113.02425	1.2
119.03504	1.1
127.07642	0.5
196.05327	1.0
197.06096	1.0
198.06787	0.5
209.05907	0.8
210.04854	0.8
210.06842	14.2
211.04057	0.8
211.07253	0.9
211.13362	1.9
212.04697	1.5
212.13734	1.5
213.05562	1.1
224.04822	5.5
225.05583	3.3
225.09224	3.3
226.06363	4.2
227.07037	1.2
238.06133	0.6
239.03488	0.9
239.07080	2.0
240.04227	1.3
240.07849	0.4
241.04980	0.9
241.08704	5.6
253.08772	1.3
254.09442	0.6
255.06604	5.4
257.08228	0.5
257.40442	0.4
304.78116	0.5
309.20706	0.5
311.22418	0.6
325.25470	0.5
326.25684	0.8
343.26251	0.4
344.26779	0.7
359.09085	0.5
360.26260	0.6
361.26654	0.4
370.24612	1.0
374.11362	0.6
387.25342	0.9
388.25778	1.7
389.14142	0.7
389.26108	1.3
391.09845	1.0
399.10376	1.9
405.11356	1.3
405.26431	2.3
406.11942	0.7
406.26733	4.7
407.27151	2.3
415.09787	4.4
416.10327	1.6
417.11301	16.9
418.11887	1.8
419.09100	2.5
420.09875	0.5
431.12711	0.7
432.10129	0.9
433.10733	12.4
434.11545	19.1
435.12265	8.5
436.13022	0.9
447.12366	0.6
448.13068	1.7
449.13910	17.8
450.14468	2.1
451.12006	1.7
463.15482	1.5
465.13416	2.4
466.14017	3.8
479.14905	0.7
480.15399	0.9
481.16544	100.0
482.16861	13.7
491.14825	1.0
611.19226	0.9
642.35706	10.1
643.21936	25.5
643.35992	16.7
644.22308	4.0
644.36761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61293	1.5
53.22644	1.7
53.69837	1.5
59.01379	100.0
60.01717	1.5
61.98828	2.0
65.53304	1.6
71.01379	9.9
73.02935	4.6
83.01364	2.2
85.02929	4.5
86.96467	2.0
98.19914	3.0
99.00874	3.8
101.02421	8.1
106.18062	1.5
113.02423	4.4
161.04527	6.8
161.82616	1.6
205.76872	1.7
235.11853	23.2
253.82440	1.7
277.12900	7.2
397.33023	1.7
469.01431	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	644.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
61.98828	100.0
62.29362	0.8
71.01382	2.3
71.07423	1.8
73.02947	0.8
85.02959	1.5
89.02425	1.3
101.02383	1.0
104.23928	0.8
133.57458	0.9
134.03743	4.0
135.04518	64.0
136.04794	1.9
138.05904	0.7
138.60677	0.7
139.63423	0.8
145.02975	0.9
153.82896	0.8
158.29639	0.8
161.02461	1.0
179.03487	95.7
180.03810	3.7
194.10635	0.8
210.07373	0.8
211.13335	1.1
213.05487	0.9
225.05392	2.3
226.06192	1.7
227.07175	1.3
242.40460	0.8
343.09601	3.6
371.09113	10.0
371.27887	0.8
372.09766	1.0
381.03183	0.9
386.11557	7.6
387.11960	1.5
401.14084	4.7
416.10190	1.3
417.11072	1.8
418.11606	2.9
434.11212	5.5
435.11728	5.2
436.12708	2.8
449.13736	2.2
450.14249	3.7
466.13809	1.1
478.14874	1.0
481.16360	6.1
482.16858	22.8
483.16046	0.8
581.18127	23.4
582.18433	4.3
612.19635	1.3
644.22284	6.7
644.36639	6.1
645.22266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17297	0.2
59.01378	0.9
59.19110	0.2
61.98828	100.0
69.18073	0.5
69.18494	1.2
70.16251	0.2
70.30300	0.2
71.01393	0.6
78.18331	0.2
81.12271	0.2
83.93202	0.2
85.02961	0.3
87.68686	0.2
89.02444	0.4
101.02474	0.3
113.02452	0.4
119.03454	0.2
125.02458	0.4
127.07609	0.2
147.04478	0.9
148.04909	0.5
153.05626	0.5
161.04631	0.3
161.06056	0.3
176.07307	0.2
189.05542	0.2
213.09189	1.2
246.33830	0.2
257.08185	5.2
258.08582	0.3
262.25818	0.2
281.08258	1.1
284.36313	0.2
299.09229	0.5
325.08490	0.2
419.13416	5.7
420.14038	0.4
434.39001	0.2
612.18774	0.2
644.22156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62142	0.2
59.01378	0.4
61.98827	100.0
69.40999	0.7
69.41431	0.7
71.01395	0.4
73.02949	0.2
77.85406	0.2
85.26517	0.2
89.02431	0.2
97.96690	0.2
115.00407	0.2
123.04548	0.5
127.07649	0.3
153.05611	0.4
166.75159	0.2
171.06575	0.2
182.94022	0.2
225.05615	0.7
241.05035	0.4
257.08167	6.2
258.08560	0.5
323.17841	0.2
335.17172	0.2
377.18079	0.3
382.77917	0.2
419.13422	5.6
420.13739	0.5
450.04993	0.2
621.37122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	4.6
61.98825	19.9
67.52798	1.9
69.54841	12.7
84.15762	1.9
151.00375	3.9
189.60655	2.4
227.03436	5.0
255.02953	39.5
256.03320	3.5
264.54800	2.2
283.02454	100.0
284.03125	18.5
285.04016	77.2
286.04556	3.6
289.91168	2.4
327.05096	2.8
424.99829	2.7
446.08621	13.3
447.09259	48.1
489.10172	3.1
609.14594	93.0
610.14978	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	646.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04728	0.1
58.92349	0.1
59.01369	0.6
61.98825	100.0
66.56178	0.1
66.74651	0.1
71.50957	0.2
82.88447	0.1
96.96056	0.2
108.04842	0.1
135.04497	0.3
137.06096	0.5
179.03493	0.4
179.45952	0.1
181.05052	2.5
182.05417	0.2
227.07054	0.2
241.73996	0.2
361.87347	0.2
645.36823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84332	0.2
59.01382	0.4
61.98827	100.0
69.15383	0.4
69.15800	1.3
98.20661	0.4
116.92892	0.2
131.75465	0.2
137.06053	0.3
181.05049	1.8
187.99193	0.2
312.39240	0.2
528.85699	0.2
583.46497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12902	0.2
53.33260	0.2
54.75124	0.3
59.01384	1.1
61.98830	100.0
64.46227	0.2
70.96008	0.2
71.01392	0.8
71.50619	0.4
71.50970	0.3
73.02941	0.4
83.05028	0.6
89.02474	0.3
89.15263	0.3
93.12714	0.3
99.00842	0.3
101.02457	0.6
113.02475	0.3
115.00446	0.3
127.04037	1.0
165.05574	0.3
601.39648	0.6
602.40302	0.7
646.39520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62503	1.7
55.01885	2.1
56.29730	1.7
58.00598	2.0
59.01379	100.0
61.98829	56.2
69.37615	6.9
69.38042	8.6
71.01381	47.1
72.99301	5.0
73.02956	11.4
73.73231	1.7
83.01375	4.4
85.02955	17.8
87.00833	2.8
89.02440	40.1
95.01404	4.1
98.19884	2.8
99.08086	2.1
101.02442	25.0
105.64591	2.2
111.00792	1.9
113.02449	33.7
119.03512	17.0
123.04512	3.3
127.07645	2.1
143.03468	5.0
149.04515	2.1
153.05528	3.0
161.04553	7.8
175.91599	2.1
179.05566	6.9
267.64624	2.1
368.21176	2.4
378.01804	2.0
543.28076	49.2
544.28394	6.7
561.29108	56.0
562.29578	5.7
603.29987	6.1
647.37061	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	648.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.80261	0.2
69.55013	0.2
71.25302	0.5
145.14360	0.2
158.95822	0.3
258.46735	0.2
313.36246	0.3
649.97583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.7
59.01372	27.8
61.98825	28.2
67.01814	1.6
69.47825	1.4
71.01373	11.8
71.50640	1.8
72.99300	3.5
73.02930	3.1
75.00871	2.8
83.01366	4.8
84.00699	1.5
85.02956	8.0
87.00872	100.0
89.02438	3.2
93.03439	1.4
95.05045	2.3
96.95985	1.7
99.00860	3.3
99.08158	23.0
101.02440	8.4
111.00890	9.6
113.02419	3.4
115.00383	2.4
118.97997	1.6
121.31757	1.5
123.04525	49.1
124.04852	2.3
125.02441	2.6
127.00336	1.8
127.07649	33.1
129.01942	34.8
129.05580	74.0
130.05893	2.7
130.99867	1.8
133.01427	1.9
147.02992	47.6
150.03194	2.1
153.05569	35.5
154.05916	2.7
156.56029	1.4
157.06528	1.4
161.04500	3.0
165.05591	3.1
171.02913	1.7
171.06647	10.6
173.00885	2.2
189.03944	1.8
189.07603	3.4
190.08711	4.4
191.05644	2.5
193.04996	2.3
195.06522	2.4
209.06633	5.3
211.23340	1.7
223.13504	1.7
231.08714	2.5
234.07681	4.7
251.07417	1.7
266.10434	2.3
267.27243	1.6
285.09714	8.8
291.10809	6.3
319.10312	8.6
457.17145	10.8
479.93735	1.6
545.17682	3.0
569.18866	9.1
644.51471	1.8
649.23181	19.4
649.31531	2.1
650.23804	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	649.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39894	0.8
58.00606	0.8
59.01376	30.8
61.98831	1.6
62.32725	0.8
69.28697	1.6
69.29096	6.4
71.01381	21.7
71.06236	0.7
72.99309	1.3
73.02951	3.7
76.04848	0.7
83.01388	1.3
85.02974	4.5
87.00825	2.0
89.02441	31.3
93.03465	1.4
95.01382	2.1
96.96003	2.4
97.02936	1.5
99.00870	1.1
101.02436	22.2
111.00867	1.2
113.02436	9.5
117.03436	4.2
119.03504	10.9
119.05023	90.8
120.05341	3.7
121.02968	3.0
123.04523	0.9
125.02442	11.1
131.03534	1.8
131.04982	0.9
132.05771	2.8
133.02946	1.9
133.06584	10.5
133.86829	0.7
135.04506	1.3
139.04013	1.4
143.03500	4.3
145.02950	16.6
149.04546	0.8
156.58011	0.9
159.04437	1.6
161.02428	3.3
161.04572	5.8
161.06067	19.8
163.04001	100.0
164.04314	4.5
167.03392	1.1
177.05612	0.8
179.05605	26.4
180.05891	0.9
187.04028	8.0
190.68901	0.8
191.07007	0.9
205.05043	24.7
206.05466	1.3
217.05113	0.8
221.06612	3.3
235.06204	0.9
256.39334	0.8
305.08688	1.6
323.09811	2.3
325.09265	14.9
326.09692	1.8
341.08655	1.8
343.10306	1.6
367.10413	1.0
462.70798	1.0
487.14658	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	649.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.2
58.00583	0.3
58.45281	0.2
58.67687	0.2
59.01379	3.2
61.98829	1.0
62.12587	0.2
69.03458	0.3
71.01383	2.6
71.50465	0.2
71.50803	0.2
72.99302	0.4
73.02944	0.4
76.98344	0.2
79.05545	0.4
81.07091	2.6
83.05038	1.2
85.02954	0.6
87.00861	0.2
89.02446	2.3
93.03441	0.2
94.04243	0.6
94.98104	0.2
95.01411	0.3
96.96008	1.6
99.00891	0.4
101.02471	1.2
103.11616	0.2
107.05058	0.4
108.02191	0.4
109.02944	0.2
109.06590	4.7
110.66056	0.2
111.00842	0.2
113.02480	1.0
115.00362	0.2
119.03506	1.1
119.05033	0.3
119.62470	0.2
120.02188	0.4
123.04517	1.0
125.06134	0.3
127.07655	8.4
131.03488	0.2
136.01691	0.2
138.03229	7.6
143.03490	0.4
147.07188	0.2
151.03983	0.2
152.01180	0.2
152.03494	0.4
153.05577	100.0
154.05913	3.0
155.07146	0.2
161.02505	0.2
161.04572	0.7
163.03999	0.4
164.85017	0.2
171.06625	8.3
171.45734	0.2
172.06912	0.3
179.05609	1.5
196.02547	0.2
202.10065	0.2
209.06523	0.2
255.02779	0.2
263.12778	0.4
272.05344	0.4
285.03937	0.2
315.10797	0.3
447.09155	0.5
469.17148	26.2
470.17633	2.4
542.74719	0.2
649.22864	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	649.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20601	1.0
55.01858	1.5
55.58645	0.9
56.08641	0.8
57.03444	14.2
59.01378	29.9
61.98831	5.2
68.99805	1.9
69.03441	4.7
70.53635	0.9
71.01382	20.5
71.50545	1.4
72.99297	4.0
73.02940	1.6
73.03616	0.9
77.03963	1.1
83.01398	7.0
83.01813	1.2
83.05026	1.8
85.02944	16.6
87.00877	39.6
87.04507	2.3
89.02458	4.5
92.37189	0.9
95.01382	1.4
95.05028	2.3
97.02955	7.7
99.00883	15.0
99.04533	1.2
99.08153	37.6
101.02424	3.3
109.06628	1.1
111.00906	5.1
113.02434	4.1
115.03979	4.0
123.04523	77.2
124.04850	2.6
126.87011	1.0
127.04031	2.2
127.07648	44.8
128.07912	1.3
129.01936	28.8
129.05579	57.4
130.05879	1.1
141.01936	3.7
147.03001	7.8
153.04323	2.3
153.05569	42.5
154.05923	1.4
155.79752	1.0
159.02986	7.6
161.04549	3.7
171.06624	10.4
189.07651	5.0
191.05579	8.0
201.04025	4.3
209.06665	17.7
234.07777	1.6
251.07671	7.3
270.27765	1.1
285.09805	10.4
291.10779	1.7
319.10229	1.5
363.12930	5.2
378.21149	0.9
378.44220	1.0
381.14008	4.2
408.53711	1.1
457.17133	17.5
458.17596	1.2
569.18671	2.3
599.19812	12.7
600.19739	2.2
649.23438	100.0
650.23761	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	650.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42088	0.5
55.44751	0.5
59.01375	1.7
61.98831	14.2
71.01383	1.7
94.24860	0.6
98.19899	1.6
99.08138	0.8
127.07652	100.0
128.07996	2.3
131.05017	1.3
133.06593	0.7
145.08763	1.1
147.04512	9.2
153.05553	0.7
161.06082	9.1
171.06624	56.5
172.06972	1.7
189.05618	1.3
347.32486	1.0
437.18262	0.7
481.17120	98.4
482.17435	9.6
637.17798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01376	4.2
61.98544	0.9
61.98835	12.0
69.17609	2.9
69.18033	4.5
71.01382	2.8
76.95059	0.7
85.02930	1.0
88.93240	0.9
89.02423	0.9
95.01384	1.1
99.08118	1.0
101.02419	1.6
105.01960	0.7
113.02431	1.7
127.07646	100.0
128.07954	2.8
145.08646	0.9
147.04509	8.7
153.05583	1.4
161.06052	3.0
171.06613	67.3
172.07001	2.0
186.45821	0.8
189.05586	1.4
242.58034	0.8
289.12848	1.1
481.17093	79.4
482.17410	8.1
527.87671	0.8
550.70703	0.9
649.37341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37812	0.6
59.01378	5.6
61.98828	14.9
71.01399	2.4
78.18997	0.6
81.31248	0.7
85.02944	1.1
87.00867	0.7
89.02464	0.7
99.08141	1.1
101.02465	1.5
105.01937	1.2
113.02451	2.7
119.03503	0.7
127.07649	100.0
128.07971	2.7
131.05014	0.8
137.90956	0.8
143.45267	0.8
145.08688	1.3
147.04506	7.0
151.90872	0.6
161.04852	0.7
161.06010	4.2
171.06624	67.9
172.06984	2.0
189.05511	1.3
228.95581	0.7
300.07999	0.9
334.36206	0.8
361.54446	0.7
481.17111	95.5
482.17511	10.1
527.28094	0.8
659.59650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20522	0.6
59.01378	1.7
64.15846	0.7
65.72756	0.7
69.54677	3.4
71.01382	1.6
75.86767	0.7
85.88341	0.8
96.96013	1.4
115.00280	1.1
117.03448	1.2
119.05013	1.3
135.97583	0.7
151.00374	2.7
166.02809	0.8
169.06569	0.8
171.04495	1.4
183.04472	3.2
211.03987	3.6
213.05649	0.9
215.03699	1.0
227.03542	5.0
255.02962	49.5
256.03430	3.7
257.04404	1.0
269.04745	1.2
283.02448	100.0
284.02966	12.1
285.04016	81.4
286.04388	5.2
327.05103	3.6
351.05106	0.9
369.12991	0.9
381.13397	1.5
401.91809	0.8
446.08490	18.5
447.09256	16.4
447.15384	0.9
448.09833	0.9
455.50739	0.8
489.10349	24.8
490.10602	1.6
531.11163	2.3
550.18488	0.7
651.15582	45.9
652.16003	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	651.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.8
70.69875	0.5
70.70222	1.0
77.38059	0.4
80.28658	0.4
83.01389	0.8
93.03481	1.0
107.01428	0.8
117.03456	1.7
135.00838	0.5
151.00348	1.4
155.05031	0.6
159.04478	1.0
167.04958	0.4
168.07858	0.4
169.06635	0.6
183.04507	3.6
185.02388	0.4
185.06030	0.6
187.03966	0.6
189.05492	0.4
199.04025	0.5
211.04001	2.4
213.05539	0.8
215.03668	0.5
227.03493	4.9
228.46661	0.4
239.03502	0.8
253.04980	0.5
255.02962	43.4
256.03522	2.6
257.04510	0.5
269.04596	0.5
281.04749	0.7
283.02457	100.0
284.03027	11.2
285.04019	78.2
286.04398	4.7
297.03955	0.8
299.05356	0.7
327.05157	3.4
446.08508	16.8
447.09232	12.8
448.09552	0.9
489.10367	21.0
490.10721	1.5
531.11438	1.8
651.15607	37.9
652.15936	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	651.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35063	0.6
58.98915	0.6
59.01382	12.8
61.98806	1.9
71.01385	7.6
73.02965	1.0
77.69328	0.7
81.03482	0.7
83.01382	1.3
85.02953	5.6
87.00863	0.9
89.02435	2.9
97.02936	1.0
98.19868	1.2
99.00883	5.2
101.02424	2.0
109.03006	0.7
111.00889	0.6
113.02448	5.2
119.03489	1.1
123.04540	0.8
125.02496	1.6
135.04501	0.7
135.08170	1.1
137.02457	1.0
143.03510	4.7
148.29071	0.6
155.03461	0.9
161.04539	2.2
161.13301	0.6
165.17081	0.7
169.06598	0.7
179.03589	0.7
179.05598	1.9
182.07367	1.4
197.06160	1.2
198.06848	7.6
203.05606	1.4
225.05551	2.6
226.06351	69.0
227.06651	4.4
241.08704	100.0
242.09093	5.9
245.06796	0.8
267.12262	0.8
323.09909	1.3
330.86618	0.7
365.10767	4.3
535.21997	3.6
651.21680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06151	0.5
59.01384	3.0
61.98835	4.1
66.15347	0.5
71.30530	0.5
75.00864	0.7
90.81955	0.5
93.03458	1.7
116.48071	0.5
117.03386	0.7
119.05022	89.3
120.05333	2.6
121.06581	1.8
125.35787	0.5
135.04501	0.6
145.03020	0.6
148.07863	0.5
163.04002	100.0
164.04323	3.1
165.05559	23.8
166.05893	0.7
255.03119	0.7
283.02502	0.6
285.04089	1.0
411.12650	0.8
426.14850	0.9
441.16840	4.8
485.16211	0.9
487.17554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03445	0.8
58.00592	1.9
59.01378	42.0
60.01707	0.2
61.98832	0.4
65.46613	0.2
68.99821	0.5
69.03459	1.7
71.01380	34.9
71.17621	0.3
72.99305	1.7
73.02946	6.0
75.00883	0.8
77.55126	0.2
81.03439	1.2
83.01386	3.6
85.02944	7.3
86.00082	0.3
87.00877	8.1
87.04557	0.3
89.02441	30.0
91.04018	0.6
93.03443	0.3
93.68961	0.3
95.01388	2.5
97.02948	5.6
99.00880	2.2
99.04534	0.4
101.02441	26.8
102.02805	0.3
103.00371	0.3
103.40750	0.3
109.02953	0.5
111.00883	0.4
111.04519	1.3
113.02448	14.1
115.04013	0.5
119.03499	9.8
120.03909	0.3
121.02982	0.7
123.04504	0.3
125.02439	11.9
127.04018	0.3
131.03551	1.3
131.04385	0.2
133.05086	1.1
135.06921	0.3
139.04007	1.1
141.01958	0.5
143.03508	5.9
149.04573	1.2
152.99675	0.4
161.04550	6.4
163.03975	0.4
167.03465	0.3
169.05034	0.4
179.03435	0.4
179.03813	0.4
179.05576	5.6
185.04477	0.5
199.06218	0.3
203.05675	0.6
205.16905	0.3
217.07144	1.3
219.05165	0.4
221.06680	1.8
229.48160	0.3
235.05795	0.7
235.08208	12.8
236.08640	0.5
237.31975	0.3
245.06725	0.8
253.09303	3.3
253.21707	100.0
254.22052	6.4
259.08041	0.3
263.07724	1.4
267.23422	0.5
277.09259	0.8
277.21686	0.3
287.07678	3.7
305.08725	3.9
323.09830	1.3
361.11398	0.6
379.12326	1.1
397.13474	74.0
398.13846	4.7
399.58414	0.3
407.30829	0.3
415.14529	29.2
416.14987	2.0
419.19388	0.3
468.70770	0.3
546.87628	0.3
593.27142	0.5
598.85303	0.3
651.36163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13516	0.5
52.81720	0.6
55.01869	1.1
57.03441	1.4
58.00595	0.6
59.01113	0.9
59.01376	11.2
60.96376	0.5
61.98827	3.3
69.03446	1.0
69.60742	2.1
69.61153	1.1
71.01380	12.4
72.99305	1.5
73.02938	3.1
75.00870	0.7
78.95869	0.8
81.03461	0.7
83.01371	2.2
85.02965	5.6
87.00870	1.9
89.02444	2.8
95.01385	1.1
97.02937	0.7
99.00878	1.2
101.02444	7.7
113.02461	2.9
119.03502	1.0
124.01629	0.7
125.02438	1.5
147.04495	1.7
159.02966	0.6
161.04572	1.4
180.09106	0.6
255.02742	0.8
283.02390	1.5
285.03998	1.5
327.28992	12.1
328.29428	0.9
369.29895	0.6
447.09586	0.7
448.14267	0.6
471.33194	2.3
489.34314	14.7
490.34570	1.0
633.38531	1.1
651.39563	100.0
652.39929	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	651.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03444	0.6
59.01070	0.9
59.01376	15.6
61.98833	3.0
67.06356	0.5
69.50325	2.9
69.50737	1.3
71.01379	14.9
72.99291	1.5
73.02933	3.6
78.95864	0.6
83.01374	2.4
85.02948	6.2
85.69295	0.6
87.00875	1.8
89.02439	7.1
95.01367	0.8
96.95981	0.7
99.00829	0.9
101.02442	10.8
105.82586	0.6
113.02422	6.3
119.03497	3.3
119.05002	1.0
121.02943	2.8
125.02404	1.1
131.03423	0.7
143.03458	1.5
147.04568	3.1
161.04544	2.0
163.03943	1.2
209.04448	1.1
221.06609	2.1
283.02469	2.2
285.03857	0.8
309.20547	1.1
309.28116	3.6
327.29065	5.9
328.29477	0.8
471.33344	1.1
489.09979	0.8
489.34268	10.6
490.34366	1.2
565.26141	1.1
593.13287	0.9
633.38452	0.8
651.39581	100.0
652.39905	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	651.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03447	3.0
58.00589	2.4
59.01380	67.1
61.98825	16.3
71.01385	51.6
71.50851	1.7
72.99303	6.2
73.02940	7.5
83.01379	5.7
85.02950	14.2
87.00872	4.5
88.98802	3.1
89.02445	44.1
95.01393	4.6
97.02961	1.2
99.00871	3.9
99.08172	1.4
99.29501	1.2
101.02450	32.9
104.56582	1.3
109.33067	1.1
111.00859	3.9
112.67843	1.1
113.02451	19.5
119.03499	21.0
123.04520	2.0
127.07675	1.6
131.03532	2.3
133.02910	1.2
143.03488	5.2
147.04500	1.9
149.04568	2.2
153.05487	2.1
161.04565	7.1
163.03979	1.4
171.06726	1.5
179.05606	7.5
267.06711	1.3
372.92523	1.2
471.33389	2.5
489.34421	9.2
651.39594	100.0
652.40143	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	651.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01845	0.6
55.01863	3.4
57.03442	2.5
58.00587	1.2
59.01377	28.4
60.99317	0.9
61.98822	9.9
69.03434	0.8
69.16789	6.4
71.01376	41.8
72.01686	0.8
72.99303	3.4
73.02942	11.8
74.70984	0.6
75.00887	1.2
83.01383	7.7
85.02949	19.1
85.03471	1.1
86.00093	1.2
87.00848	3.3
88.98793	2.4
89.02434	12.6
95.01376	4.5
97.02948	1.4
97.07569	0.6
99.00868	4.0
99.08126	1.1
101.02436	34.1
105.01923	2.2
111.00867	2.4
112.42951	0.7
113.02443	17.7
117.35952	0.6
119.03495	4.7
123.04460	0.6
125.02418	2.5
127.07639	1.1
129.05580	0.8
130.55569	0.6
131.03493	1.0
141.01880	0.7
143.03484	1.9
147.04509	9.4
148.05002	0.6
158.93590	0.7
159.02972	2.0
161.04543	7.2
179.05606	3.7
221.06676	1.0
245.06578	0.7
255.02934	0.8
263.07663	0.7
283.02576	1.2
309.27856	1.4
323.09637	0.7
327.28885	4.1
399.36481	0.6
409.21567	0.6
443.80484	0.7
459.32996	0.8
471.33066	1.9
489.19180	2.0
489.34283	55.8
490.34506	7.1
591.36798	1.2
609.38086	1.4
611.30365	0.6
633.37921	0.7
641.12006	0.7
651.39526	100.0
652.39941	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	652.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57809	0.3
59.01374	0.8
59.67161	0.2
61.98829	100.0
71.01392	0.3
71.50437	0.4
100.49384	0.3
108.88394	0.2
109.03005	0.6
115.00376	0.4
115.67670	0.3
116.92873	0.5
126.83718	0.2
134.03749	0.6
147.71593	0.2
152.01161	0.3
153.02000	0.5
193.04982	1.2
196.02562	0.3
315.07327	0.8
329.10217	0.5
375.11432	0.2
414.98611	0.3
486.36618	0.3
491.15768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34174	2.8
53.47266	2.9
57.03442	3.9
59.01378	100.0
61.98826	80.0
69.15279	35.3
70.45765	3.0
71.01367	24.6
73.02938	9.0
83.01402	4.0
85.02979	10.2
89.02438	7.7
95.01454	3.6
98.20641	6.3
101.02446	20.8
113.02424	11.9
136.51714	3.2
156.94547	3.0
161.04541	6.1
209.26855	3.3
358.02316	3.2
374.80402	3.4
455.26736	4.5
467.30106	13.3
485.31137	46.4
486.31561	7.7
503.32220	39.7
545.33276	12.5
652.40308	4.6
653.37732	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	653.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01381	1.4
61.98817	0.9
64.60957	0.3
71.01365	1.1
71.42450	0.6
83.01369	0.4
85.02924	0.4
90.94839	0.3
93.03433	0.6
101.02456	0.6
109.02922	0.3
113.02448	0.8
116.92844	1.1
121.02928	1.2
122.03734	1.6
125.02440	0.5
135.04558	0.4
136.05315	0.4
149.02409	0.5
151.04025	1.5
158.07376	0.5
159.38426	0.3
161.04579	0.7
161.52963	0.3
163.03918	0.3
174.22041	0.3
194.43047	0.3
201.09233	0.9
227.07133	20.7
228.07706	2.2
243.10242	100.0
244.10573	6.7
285.11230	0.6
383.74960	0.3
387.14487	3.8
388.14658	0.6
405.10480	0.5
405.15573	8.1
405.20911	0.5
406.15955	1.3
447.16614	13.0
448.16946	1.5
456.46143	0.3
612.01996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.2
61.98819	2.5
69.69060	2.0
69.69468	1.3
71.01370	1.6
81.36353	0.5
85.02985	0.5
89.02435	1.5
92.20977	0.6
93.03477	0.8
93.79305	0.5
96.96021	1.0
98.02476	0.6
101.02463	0.8
113.02473	0.7
115.00340	0.7
117.03436	0.6
119.03517	0.5
119.04984	0.8
151.63010	0.6
163.03970	1.2
182.03690	1.1
210.03198	11.6
211.03780	0.6
225.05516	4.1
238.02684	36.8
239.03149	3.3
253.05034	27.9
254.05562	3.0
255.02939	2.0
256.03305	1.1
257.03610	1.0
265.12274	1.1
268.07382	43.3
269.07724	3.3
283.02402	3.1
284.02814	2.4
285.03561	3.7
286.04367	2.2
287.04694	2.5
383.04929	0.6
401.08780	9.5
416.11069	5.4
431.13431	100.0
432.13776	9.7
434.51083	0.7
449.09833	0.8
491.11481	1.0
653.16846	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	653.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
60.99303	16.3
61.98845	0.2
70.13560	0.7
71.01381	0.4
74.24126	0.2
88.98801	100.0
89.99125	0.8
110.41469	0.2
114.87920	0.2
121.68932	0.2
123.04531	0.3
127.07549	0.2
131.83495	0.2
153.05498	0.4
168.66074	0.2
247.05531	0.2
247.96820	0.2
252.24681	0.2
270.00760	0.2
290.75150	0.2
643.24695	0.2
653.33606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62880	0.3
57.03476	0.3
59.01382	2.2
60.99310	15.7
61.98838	2.2
70.34637	0.8
70.34986	0.6
71.01385	1.4
85.02959	0.6
88.98811	100.0
89.99136	1.0
95.01416	0.3
99.08161	0.6
101.02423	0.5
111.00932	0.3
123.04482	0.7
125.43665	0.3
127.07690	0.7
129.05571	0.5
211.13475	0.8
219.57724	0.3
222.77754	0.3
245.51532	0.3
245.54372	0.3
263.12546	0.3
457.17203	0.8
593.31744	0.5
653.37689	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	653.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33969	0.5
52.66353	0.6
59.01377	12.2
61.59713	0.6
61.98832	4.4
68.63539	0.7
70.06395	1.6
70.07869	0.7
71.01370	1.0
93.03453	5.2
100.04781	0.7
101.02460	0.9
119.04980	1.6
121.06600	6.8
123.58323	0.6
145.64731	0.7
161.02400	0.9
165.05556	100.0
166.05852	3.3
179.07095	1.0
209.11807	0.8
211.13382	3.4
223.13383	3.2
291.06848	1.0
307.09668	1.2
321.11133	1.8
487.17651	7.4
488.17950	1.2
629.42542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98826	1.8
62.96420	0.8
70.71471	0.2
74.20962	0.2
75.86320	0.2
76.83905	0.2
78.95905	100.0
84.52432	0.2
86.70541	0.2
95.38226	0.2
96.96972	0.2
131.49176	0.3
134.41859	0.2
149.00093	5.8
149.01245	0.4
152.99583	0.4
156.81241	0.2
179.01120	0.5
203.70879	0.2
205.15958	2.9
255.23250	0.4
285.12619	4.0
329.88660	0.2
330.49054	0.2
355.16736	2.5
362.49475	0.2
385.17880	1.0
385.75308	0.2
417.12253	0.3
447.13382	5.1
448.13892	0.3
653.30121	47.7
654.30450	7.4
661.61743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16517	0.2
55.01877	1.2
57.03439	1.4
58.00592	1.9
59.01379	45.9
60.01702	0.5
61.98835	0.5
65.82736	0.2
67.01881	0.3
68.99804	0.6
69.03452	2.4
71.01381	36.8
72.01732	0.4
72.99313	2.6
73.02950	6.9
73.03363	0.4
75.00871	1.1
79.01879	0.2
81.03456	1.8
83.01384	4.7
84.02194	0.3
85.02946	7.8
86.00111	0.3
87.00871	9.6
87.04521	0.3
89.02443	34.0
90.02783	0.4
91.04014	0.9
93.03486	0.5
95.01380	2.5
97.02946	5.9
99.00874	2.2
99.04546	0.4
101.02440	31.1
102.02784	0.4
103.00394	0.3
103.04032	0.4
109.02949	1.0
111.00929	0.3
111.04521	1.2
113.02451	15.8
114.02811	0.4
115.04011	0.8
119.03503	10.5
121.02966	0.8
123.04482	0.4
124.01649	0.3
125.02447	13.3
126.02816	0.3
127.04006	0.3
129.01880	0.3
131.03490	1.6
133.05072	0.9
134.52702	0.2
139.00414	0.4
139.04002	1.3
141.01929	1.0
143.02423	0.5
143.03497	6.4
145.05066	0.3
149.04555	1.1
155.03568	0.4
158.49324	0.2
159.03026	0.3
161.04556	7.0
167.03502	1.2
169.05061	0.4
171.02975	0.4
179.05603	7.0
181.05016	0.2
185.04547	0.8
199.06070	0.7
203.05504	0.3
217.07127	1.5
219.05011	0.3
221.06665	2.5
235.08228	15.0
236.08583	0.5
245.06633	0.9
253.09242	3.6
255.23276	100.0
256.23608	7.6
256.26346	0.5
263.07748	1.7
269.24872	0.9
277.09323	1.1
287.07697	3.8
305.08725	4.5
306.09000	0.4
323.09848	2.4
361.11349	0.7
379.12396	1.3
397.13477	87.7
398.13837	5.8
415.14545	34.2
416.14981	2.3
653.37933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03448	1.1
58.00583	1.7
59.01377	40.7
60.01701	0.3
60.99268	0.2
61.55122	0.2
61.98833	0.7
64.77243	0.2
66.65559	0.2
68.99814	0.7
69.03450	2.2
71.01377	35.4
71.50769	0.3
72.99300	2.6
73.02943	6.2
75.00869	0.7
78.95895	0.4
81.03442	1.7
83.01380	4.5
84.02139	0.3
85.02946	8.5
87.00876	9.3
87.04555	0.2
89.02439	33.2
90.02811	0.3
91.04010	0.9
93.03463	0.5
95.01384	2.7
95.05010	0.4
97.02950	5.2
99.00864	2.3
99.04520	0.5
101.02436	29.7
102.02759	0.6
103.00390	0.3
103.03989	0.5
109.02955	0.7
111.00892	0.7
111.04524	1.2
113.02444	14.8
114.02808	0.3
115.04030	0.8
119.03499	10.2
121.02930	0.7
123.00854	0.4
123.04513	0.3
124.01672	0.5
125.02442	13.2
126.02787	0.4
127.04004	0.5
131.03499	1.3
133.05055	1.1
137.02393	0.3
139.04005	0.8
141.01875	0.4
143.03496	5.6
149.02428	0.4
149.04558	0.9
151.03979	0.6
152.99577	0.6
153.05539	0.2
157.05054	0.3
161.04549	7.7
167.03470	0.7
169.05077	0.7
178.76651	0.2
179.05608	6.9
181.05048	0.5
185.04507	0.5
195.60942	0.4
197.44577	0.2
199.06123	0.6
203.05580	0.3
217.07146	1.0
219.05226	0.5
221.06665	2.3
235.08205	13.4
236.08586	0.8
245.06589	0.6
253.09283	3.7
255.23265	100.0
256.23618	7.2
263.07669	1.2
269.24832	0.7
277.09210	0.7
287.07690	3.6
297.24557	0.4
305.08768	4.3
307.00330	0.3
323.09732	1.6
361.11163	0.3
379.12427	1.0
397.13458	84.7
398.13763	5.5
415.14532	30.7
416.14685	1.8
595.28607	0.3
653.37970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	77.0
61.98828	100.0
70.36208	8.5
70.98698	2.2
71.01379	19.4
73.02943	5.0
80.16076	2.1
81.03429	3.0
83.01384	3.0
85.02934	11.9
85.95792	2.2
89.02437	6.4
99.08162	2.9
101.02451	13.7
102.02671	2.2
111.00886	2.8
113.02430	9.1
123.04544	5.0
127.07650	4.6
143.03517	2.6
150.06870	4.8
153.05608	4.0
159.02994	2.2
161.04535	4.4
195.03094	2.7
209.11813	14.0
211.13287	3.6
276.12195	2.4
279.23083	2.3
343.28595	6.5
352.33429	2.4
487.32782	68.3
488.33057	8.8
493.35373	4.7
505.33914	33.1
506.34167	2.7
547.35071	12.5
637.32544	3.5
654.34473	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	654.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81708	2.9
57.03436	4.5
59.01377	62.8
61.98827	100.0
66.13153	3.4
66.34228	3.0
67.55672	3.3
69.03446	3.0
69.88750	2.8
71.01375	22.6
71.50184	5.3
73.02925	7.5
75.83073	2.9
83.01382	4.3
85.02936	10.4
88.98786	4.1
89.02431	6.8
92.05049	6.8
101.02438	19.1
113.02425	10.5
119.05015	3.6
123.04537	3.6
127.07710	4.9
136.04053	21.8
147.04468	14.2
147.92648	3.2
148.04790	3.0
151.03952	3.3
151.07666	9.6
153.05550	7.8
161.04532	6.4
163.03902	3.9
185.07092	3.1
209.11830	17.2
233.11707	3.1
237.73206	3.2
242.08220	9.8
245.21931	3.4
303.33316	3.5
310.10556	3.3
347.20804	6.6
349.12659	3.2
447.43347	3.6
455.26126	5.2
487.32703	48.0
488.32928	6.1
493.35309	9.8
505.33789	16.8
510.17749	4.4
532.87274	3.1
547.34625	11.8
550.33386	4.3
593.29059	3.5
649.84216	3.6
654.39911	5.2
655.24023	11.3
655.40961	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	655.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.3
57.54244	1.2
59.01117	1.4
59.01380	15.5
61.98829	100.0
69.47816	7.4
71.01374	7.1
73.02939	2.7
85.02939	2.2
89.02419	4.4
97.06625	1.1
98.33166	1.1
99.00874	1.6
99.07564	2.1
99.08156	23.9
101.02441	5.9
113.02460	6.8
117.01908	1.9
118.80286	1.1
119.03496	2.5
121.86957	1.1
123.04520	71.4
124.04803	2.2
127.07648	45.0
128.07921	1.2
129.05576	33.6
153.05568	59.6
154.05942	2.1
161.04517	7.9
171.06624	14.4
179.05534	1.3
189.07668	3.4
221.06474	1.3
231.08665	6.1
239.12862	2.0
285.09775	20.8
291.10968	7.5
301.13022	2.6
343.13885	1.8
457.17133	75.4
458.17358	8.4
499.18222	3.0
655.20416	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	655.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35468	0.7
53.47890	0.7
59.01378	1.3
61.98824	1.2
69.45483	3.7
69.45895	2.2
75.76056	0.8
95.40417	0.8
98.20652	1.1
108.04573	1.3
123.04504	1.6
132.04649	1.0
159.03311	1.0
160.04030	3.8
162.05640	1.0
176.07260	0.7
188.03493	3.6
190.05099	1.4
198.04297	1.8
204.02910	1.8
209.07170	0.9
212.07320	4.1
213.06691	1.0
218.04546	4.7
223.08813	0.9
224.07225	1.2
225.04535	1.1
225.06700	1.8
226.03873	6.9
226.07317	1.1
227.04642	1.0
227.08217	2.8
239.04669	2.5
239.08263	3.0
239.11888	1.0
240.05052	5.0
240.10400	1.2
241.06146	5.7
242.06773	0.9
243.11232	1.1
251.08351	1.3
253.06079	5.5
254.06836	2.0
255.07707	11.9
256.08304	1.4
265.06073	1.9
265.09818	1.1
266.08270	1.4
267.04092	10.4
267.07712	8.8
267.11334	4.6
268.04733	1.3
269.09311	3.2
280.04822	2.9
281.05646	7.2
281.09280	5.8
282.03271	1.4
282.06436	6.4
282.09518	1.6
283.07178	8.9
283.10764	4.7
293.05862	1.5
293.09326	3.8
294.06686	2.9
295.07217	21.6
296.07968	2.6
299.06775	2.3
309.08777	11.4
310.09396	5.1
311.10345	34.2
312.10690	3.0
313.08249	1.5
314.09213	1.1
315.09845	11.5
322.89664	0.9
327.09747	3.3
337.08273	13.5
338.08273	0.8
354.08633	1.1
355.09357	9.2
369.10892	4.8
387.12024	13.1
387.16754	2.0
388.12039	1.0
495.37363	0.8
517.14539	1.7
623.18774	37.3
624.18774	5.8
655.21399	100.0
656.21625	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	655.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58556	0.4
59.01394	0.9
69.22820	2.2
71.77724	0.5
73.28546	0.5
89.92377	0.5
98.20676	1.2
101.38292	0.5
108.04569	1.2
111.95007	0.5
122.06125	1.4
123.04556	0.8
131.03850	0.6
132.04568	0.6
150.05569	0.5
160.04034	4.0
161.04794	0.5
162.05618	0.8
174.02144	0.5
174.05661	0.5
175.02766	0.7
176.07271	0.6
183.51030	0.5
188.03552	4.5
189.04234	0.5
190.05116	0.9
198.04416	1.2
204.03032	1.5
210.05722	0.9
211.08707	1.1
212.07422	4.9
218.04568	2.8
220.06149	0.6
223.08818	0.5
224.07230	1.2
225.06746	2.0
226.03822	6.8
226.07320	1.1
227.04671	1.0
227.08295	2.4
238.08681	2.1
239.04524	2.5
239.08194	3.0
240.05481	4.3
240.07104	0.7
240.10336	1.4
241.06216	4.9
241.09955	0.8
243.11449	0.6
250.07478	0.6
251.08377	1.8
252.05243	0.5
252.06758	0.6
252.09026	1.0
253.05975	3.2
254.06886	2.4
255.07733	12.5
256.08325	1.1
263.08383	0.6
265.06177	1.8
265.09866	1.7
266.08179	1.5
267.04163	13.4
267.07788	9.7
267.11420	4.5
268.04620	1.1
268.10056	1.1
269.09314	3.8
277.06070	0.6
278.06992	0.7
279.07739	0.6
280.04886	4.0
281.05704	6.2
281.09366	6.5
282.02844	2.2
282.06491	7.1
282.10004	2.0
283.07288	11.8
283.10898	5.2
291.07816	1.0
293.05701	2.0
293.09357	2.5
294.06454	4.9
295.07236	20.5
296.07739	2.5
299.06802	2.2
308.07947	0.9
309.08801	13.7
310.09573	4.6
311.10370	33.4
312.10703	1.5
313.08371	0.9
315.09860	8.2
327.09729	2.5
337.08292	17.3
338.08609	1.2
354.08566	3.1
355.09369	8.7
356.09824	0.9
369.10880	1.8
387.12027	8.9
388.12036	0.7
437.70425	0.5
461.13342	0.8
517.14819	4.2
518.15186	0.6
568.64136	0.6
579.20007	1.5
595.19238	0.7
623.18811	100.0
624.19281	13.6
655.21436	49.2
656.21887	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01720	1.5
61.98828	12.5
69.03421	2.6
71.01373	17.3
72.01721	2.3
72.99274	2.1
73.02938	2.8
77.19249	1.5
78.95906	8.8
85.02933	4.0
87.00850	3.7
89.02432	19.5
93.03425	1.8
95.01380	2.5
96.96009	16.2
96.96928	4.9
97.02921	4.7
101.02454	12.4
103.92001	1.7
113.02442	6.1
114.02731	1.7
119.03484	4.0
119.91705	1.5
125.02409	5.1
138.21913	1.5
139.03990	1.5
141.01703	57.7
142.02065	1.4
142.05074	5.8
143.03430	1.6
144.66312	1.6
152.99550	6.4
161.04602	2.6
179.05669	2.1
235.08235	2.9
236.08578	1.4
237.08734	1.8
245.64223	1.8
253.09381	2.0
255.23293	22.5
256.23572	19.8
257.23880	10.3
277.21738	3.1
339.00061	4.8
385.22803	1.4
397.13495	9.2
398.13773	18.2
399.14178	14.7
415.14362	3.8
416.14844	5.1
417.15039	7.7
439.53256	1.7
595.28815	5.4
640.28510	1.6
655.41992	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
59.01374	22.6
61.98827	21.6
65.03965	3.2
69.03441	1.0
69.40886	7.1
71.01376	10.5
73.02937	2.1
77.09354	1.0
83.01367	1.2
85.02944	3.1
87.00861	1.6
89.02448	8.1
91.05533	3.4
95.05019	2.3
97.06557	2.4
98.20654	2.3
99.00882	1.6
99.08162	1.6
101.02429	8.6
105.07092	1.2
109.06571	3.2
113.02428	3.5
119.03564	1.2
123.04517	2.9
125.09737	10.0
127.07632	1.2
135.08142	3.4
140.01773	1.2
147.04491	2.4
151.07593	1.4
161.04573	2.1
171.10266	2.7
179.05676	1.4
185.09830	1.2
185.11809	2.9
187.14891	13.8
188.27580	1.1
207.10204	3.3
209.11855	10.5
211.13341	4.3
213.12842	3.7
221.15193	1.1
225.11333	1.4
231.13857	33.9
233.11794	1.1
243.12311	1.2
247.13391	3.3
249.14886	4.5
253.09293	4.3
256.26852	1.1
339.23221	3.1
348.93509	1.1
357.24319	2.0
373.24106	1.2
383.22253	10.0
391.24771	1.3
401.23303	25.3
402.23401	2.1
419.24374	6.4
455.26337	1.3
457.28088	2.9
463.06659	1.3
493.12909	3.9
493.21893	1.1
511.21820	1.5
637.32239	100.0
638.32745	14.2
655.22565	2.1
655.32483	29.2
656.33533	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
59.01374	22.6
61.98827	21.6
65.03965	3.2
69.03441	1.0
69.40886	7.1
71.01376	10.5
73.02937	2.1
77.09354	1.0
83.01367	1.2
85.02944	3.1
87.00861	1.6
89.02448	8.1
91.05533	3.4
95.05019	2.3
97.06557	2.4
98.20654	2.3
99.00882	1.6
99.08162	1.6
101.02429	8.6
105.07092	1.2
109.06571	3.2
113.02428	3.5
119.03564	1.2
123.04517	2.9
125.09737	10.0
127.07632	1.2
135.08142	3.4
140.01773	1.2
147.04491	2.4
151.07593	1.4
161.04573	2.1
171.10266	2.7
179.05676	1.4
185.09830	1.2
185.11809	2.9
187.14891	13.8
188.27580	1.1
207.10204	3.3
209.11855	10.5
211.13341	4.3
213.12842	3.7
221.15193	1.1
225.11333	1.4
231.13857	33.9
233.11794	1.1
243.12311	1.2
247.13391	3.3
249.14886	4.5
253.09293	4.3
256.26852	1.1
339.23221	3.1
348.93509	1.1
357.24319	2.0
373.24106	1.2
383.22253	10.0
391.24771	1.3
401.23303	25.3
402.23401	2.1
419.24374	6.4
455.26337	1.3
457.28088	2.9
463.06659	1.3
493.12909	3.9
493.21893	1.1
511.21820	1.5
637.32239	100.0
638.32745	14.2
655.22565	2.1
655.32483	29.2
656.33533	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	656.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98525	0.2
69.47632	0.7
69.48054	0.8
122.94670	0.2
123.04532	0.4
142.02025	0.2
153.05576	0.3
251.27034	0.2
280.44058	0.2
478.49179	0.2
577.85132	0.2
602.93231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46846	0.1
56.58370	0.1
61.43641	0.1
61.98829	100.0
62.98535	0.2
67.23464	0.1
73.34623	0.1
76.39474	0.1
87.26478	0.1
98.20692	0.3
119.05024	0.3
163.03989	0.8
179.95500	0.1
229.57617	0.2
285.04208	0.2
325.09583	0.4
431.13983	0.3
464.38733	0.1
474.30038	0.1
574.13409	0.1
619.95905	0.1
642.32123	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	657.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42319	0.4
55.09146	0.5
59.01380	0.7
71.01353	1.4
71.49550	0.7
73.02906	0.5
78.25877	0.4
81.03406	0.4
83.01400	0.6
85.02934	1.8
93.03472	0.5
95.01364	1.4
101.02429	0.7
108.02162	48.7
109.02959	16.4
113.02431	0.8
121.02964	1.0
123.00857	0.6
123.04499	0.8
133.03008	0.6
141.68106	0.4
151.03963	1.3
152.01134	45.0
153.01921	19.4
163.04013	1.0
165.01889	0.9
214.15431	0.5
225.04103	0.5
299.54446	0.5
303.03296	0.6
303.28568	0.5
315.07172	100.0
315.48419	0.5
316.07596	4.9
363.80411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92372	0.6
59.01389	0.8
64.81822	0.6
71.01369	1.7
71.48644	0.8
81.03465	0.8
81.44443	0.6
85.02921	1.6
87.63275	0.6
89.02459	0.6
95.01347	0.8
101.02455	1.2
101.71165	0.6
104.00674	0.6
105.01986	0.8
108.02174	51.6
109.02976	18.8
113.02438	1.0
124.82159	0.6
151.04015	1.0
152.01149	45.9
153.01936	17.9
153.05516	0.7
154.02345	0.9
163.04002	1.1
165.01958	2.0
282.43246	0.7
315.07205	100.0
316.07507	4.1
326.25699	0.6
415.85007	0.6
547.39709	0.7
657.14172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98829	2.4
64.79865	0.3
71.01389	0.9
71.13338	0.3
71.27418	0.6
80.08369	0.3
89.02451	0.3
89.03958	1.2
90.06781	0.3
92.44958	0.3
93.03443	1.6
95.05001	0.5
101.02432	0.5
104.46879	0.3
117.03444	3.8
119.05025	1.3
121.02950	7.8
122.03767	4.5
123.04560	0.8
132.02145	0.5
133.02948	2.4
134.03732	62.7
135.04437	1.8
136.01646	0.7
136.26477	0.3
137.02449	2.4
139.04010	0.8
147.04463	0.5
148.01624	0.7
149.02432	13.1
149.06065	8.3
149.07246	0.4
150.03220	32.7
151.03603	0.7
153.05531	0.4
164.04765	2.2
165.05554	30.3
166.05888	1.0
178.02687	9.2
180.04309	1.7
193.05038	100.0
194.05382	4.8
195.06610	17.8
196.06937	0.6
221.06021	1.1
223.07626	0.7
233.06030	0.9
234.06841	1.0
238.06358	0.7
238.49162	0.3
239.07133	2.7
250.06378	2.4
251.06812	0.5
253.08640	0.7
254.09492	0.7
265.08826	0.4
266.85571	0.4
267.06604	1.7
282.08936	8.5
283.09122	0.6
295.51990	0.3
297.07846	0.5
297.11200	1.0
307.09344	0.4
326.07806	1.0
341.10266	35.7
342.10571	2.9
355.10211	2.2
371.11380	2.5
389.12396	35.9
390.12927	2.6
461.14462	7.4
462.14584	1.0
494.35175	0.4
609.20123	0.7
657.21783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59206	0.3
59.01374	3.4
61.83791	0.4
61.98829	4.4
69.20531	2.9
71.01379	1.1
72.22939	0.3
72.65997	0.3
72.99329	0.4
85.02942	0.3
89.02444	0.9
93.03458	0.5
101.02441	1.2
105.03466	0.6
111.08115	0.4
113.02465	0.6
119.05017	6.2
121.02917	0.5
123.04502	0.6
127.07619	0.6
133.02945	3.7
134.03726	0.4
135.04492	0.8
135.08147	0.8
136.05254	0.5
137.02415	1.9
137.20911	0.3
138.55222	0.3
139.53404	0.3
143.05022	4.6
145.02969	0.5
147.04498	0.7
151.07626	0.7
162.03128	0.3
163.04008	7.5
163.05382	0.2
163.11229	0.3
164.04417	0.4
165.09209	0.3
167.05064	0.7
171.10271	0.5
177.01915	1.3
178.02730	0.7
179.03442	1.2
183.04527	0.6
183.13843	1.2
195.01595	0.4
195.04462	2.6
196.05231	1.6
197.06017	1.9
199.13202	0.7
209.11819	8.0
210.12166	0.5
211.03947	1.9
211.13377	10.0
212.04707	1.1
212.13672	0.6
213.05530	0.4
223.03986	1.9
224.04758	4.3
225.05542	8.4
226.06194	0.9
227.07158	0.4
227.12823	3.1
235.08192	0.4
238.06476	0.5
239.07161	0.6
240.07845	1.1
241.05171	0.4
241.08771	0.4
253.08943	1.7
313.14413	1.3
325.09262	0.7
331.15475	1.4
351.21835	1.5
377.11917	0.5
381.20688	0.4
393.11115	0.8
403.09653	1.2
404.10242	0.6
405.11292	0.8
406.12195	0.5
419.13043	0.5
420.13614	1.0
421.10690	1.3
421.25763	0.4
422.11407	0.8
431.08963	0.6
432.09778	1.1
433.10593	0.4
435.15930	1.0
436.13199	1.3
437.14072	0.8
445.11246	0.5
446.11963	5.0
447.12454	2.6
448.13608	1.6
450.11099	0.4
451.15411	1.2
461.13806	1.4
462.14651	1.1
463.16260	2.2
464.12521	1.1
465.13419	4.3
466.13638	0.5
479.15015	8.0
479.21561	0.6
480.15741	48.7
481.16116	6.0
494.17471	2.1
495.18130	100.0
496.18469	13.0
594.30627	0.4
657.23743	5.7
657.33258	0.4
657.42102	1.3
658.23743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49834	0.4
59.01377	4.3
61.98830	7.9
67.50885	0.5
68.60620	0.4
69.85205	1.6
69.85612	1.0
71.01382	1.9
71.43233	0.4
73.02953	0.5
83.05027	0.6
85.02950	1.2
89.02441	1.0
98.20550	0.6
101.02454	1.7
113.02433	0.7
119.05039	3.8
127.07706	0.6
128.03490	2.3
128.90173	3.5
129.01932	2.7
129.05547	3.2
133.02974	2.0
135.08159	3.1
137.02452	1.2
163.03993	4.1
177.01874	0.8
179.03465	0.5
183.13870	0.6
209.11784	4.7
211.13385	8.0
224.04744	1.0
225.05554	1.5
227.12773	2.3
253.09238	1.2
267.39935	0.5
285.14865	0.8
331.15744	0.6
332.16553	0.6
345.16757	0.6
368.44080	0.5
403.09650	1.1
404.10489	1.3
405.11276	14.6
406.11908	1.3
417.11133	0.7
418.11688	0.6
421.11359	0.7
421.26160	0.6
432.09894	3.3
433.10873	0.8
434.11411	1.5
437.14160	1.6
445.10608	0.6
446.11737	4.9
447.12375	11.6
447.22125	0.7
448.13077	21.9
449.13702	5.7
461.13828	6.4
461.31372	1.0
462.14948	1.0
463.15533	35.4
464.15964	4.5
465.13657	2.6
477.13605	1.0
479.15042	1.6
480.15863	5.4
481.16275	0.7
495.18207	100.0
496.18665	13.7
621.32477	0.6
625.22626	0.7
655.14374	0.6
657.23700	3.7
657.42169	1.1
658.23914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90067	0.4
59.01362	1.0
61.98830	2.9
65.08504	0.4
70.22330	1.4
71.01369	0.7
74.72717	0.4
85.21661	0.4
88.98829	1.0
92.97740	0.4
153.63519	0.4
185.06058	0.8
195.04492	0.5
209.11812	1.7
211.13428	2.9
226.06386	3.1
227.07069	1.5
232.46530	0.4
241.08670	0.6
278.06012	0.6
279.06696	0.5
405.11258	1.9
416.10223	0.6
431.12762	1.1
432.10059	0.8
433.10648	0.8
434.11450	3.1
437.13879	1.2
446.11798	0.5
447.12219	2.1
448.13150	4.4
449.13998	7.6
450.14688	0.7
461.13959	0.9
462.14972	2.6
463.15527	8.4
464.16269	1.0
465.13382	1.0
479.14960	6.6
480.15744	10.7
481.16104	1.2
495.18109	100.0
496.18509	13.6
625.23511	0.5
657.23383	1.5
658.21490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98848	0.8
69.43480	3.5
69.49531	0.4
89.77391	0.5
97.18307	0.4
109.58381	0.5
152.75635	0.5
196.05272	2.0
197.06087	1.0
208.59697	0.5
209.11893	1.0
211.04083	1.1
211.13469	1.0
224.04764	7.5
225.05545	5.6
226.06339	1.0
227.07082	0.8
239.07170	1.0
250.11259	0.6
253.08691	1.0
268.81891	0.4
366.23309	0.9
403.09744	0.7
404.10544	0.5
405.11261	4.9
406.11642	1.1
419.13120	0.8
420.13696	0.7
421.10608	0.5
422.11340	2.1
423.12128	0.6
432.09991	1.5
433.10718	0.9
434.11319	2.7
436.13138	1.3
437.13943	3.1
446.11682	1.6
447.12234	5.2
448.13055	15.7
449.13803	8.2
450.14554	0.7
452.16718	0.6
461.13968	2.9
462.14581	1.7
463.15485	20.6
464.16702	2.3
465.13321	2.9
479.14993	17.4
480.15707	20.8
481.16040	2.6
495.18112	100.0
496.11392	0.4
496.18420	11.6
625.22888	0.7
657.23364	59.4
658.23767	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	657.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94158	0.3
59.01376	4.0
61.98846	2.1
64.27618	0.3
71.01382	2.8
71.50568	0.3
85.02933	0.7
89.02425	1.6
96.96004	0.4
101.02448	1.2
103.04286	0.3
113.02451	0.9
119.03525	0.9
125.93221	0.3
133.33398	0.4
146.49536	0.4
164.01094	0.4
165.75713	0.4
169.06526	0.6
183.28154	0.3
185.11661	0.3
196.05301	1.5
197.06140	0.7
197.39459	0.3
209.11775	1.1
211.03966	0.8
211.13318	2.1
212.04596	0.4
213.05536	0.6
220.06192	0.6
224.04753	5.5
225.05528	6.0
226.06383	2.0
227.07138	2.4
238.06273	0.5
239.03384	0.8
239.07095	0.5
240.04269	0.4
241.05048	1.6
241.08904	0.4
246.03915	0.4
253.08961	0.6
269.08337	1.1
291.19626	0.8
309.20718	1.7
347.15991	0.6
405.11206	1.6
410.20764	0.5
420.13837	0.5
421.10623	0.8
422.11600	1.2
429.11301	0.6
431.12927	0.4
432.09976	0.6
433.10306	0.5
436.13251	1.1
437.14090	4.1
446.10785	0.4
447.12231	1.9
448.13181	3.2
449.14117	0.8
450.10898	0.8
461.13928	1.2
462.14688	1.4
463.15674	5.6
464.12521	0.8
465.13400	6.1
466.13690	0.8
479.14978	13.1
480.15738	23.9
481.16150	2.8
495.18109	100.0
496.18436	13.8
625.24097	0.5
657.23163	4.4
657.33899	0.6
658.24030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15742	1.2
59.01377	100.0
60.06557	1.3
60.56274	1.1
61.98825	14.4
64.64371	1.1
71.01379	2.8
83.10918	1.5
89.02449	1.7
95.86124	1.0
96.96006	2.0
101.02447	2.2
111.00915	1.8
115.00337	2.0
119.05019	1.9
123.04536	3.5
136.63997	1.2
137.02396	2.6
151.04050	2.5
153.05542	1.6
161.02415	4.9
165.01906	30.8
166.02315	1.7
167.03514	7.1
176.04765	3.0
179.03491	16.8
180.04266	25.6
181.04654	1.1
194.05824	12.5
195.06606	43.9
196.06889	1.3
209.08206	20.3
210.05276	8.5
210.08289	1.6
225.07664	79.1
226.08009	3.4
240.25768	1.2
327.08670	2.4
343.39072	1.2
357.09741	3.3
372.12079	4.3
387.14465	32.3
388.14722	2.6
435.16739	20.8
436.17606	1.4
457.16830	1.5
568.65173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	14.6
63.56382	1.6
71.51064	2.7
78.95893	5.0
97.02957	3.9
141.01709	60.4
142.05124	5.4
152.99591	4.0
157.68872	1.6
171.94647	2.9
225.16019	1.7
279.23288	3.0
339.00156	3.5
423.06128	1.9
464.09384	2.0
557.98114	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	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27994	0.6
57.03435	1.4
59.01379	14.4
61.98828	29.8
65.03954	1.4
69.03439	1.7
69.60365	2.3
69.60770	1.2
71.01007	0.8
71.01379	7.4
72.99313	0.7
81.03454	0.7
83.01349	0.9
83.05018	5.3
85.02945	2.8
85.06568	1.7
87.00856	1.5
89.02444	4.8
93.00423	0.7
95.01367	0.9
95.05019	0.6
97.06609	3.1
101.02436	6.4
109.06578	1.9
111.08158	3.1
113.02427	3.5
119.03466	1.1
119.05024	1.3
121.06590	0.8
123.04469	0.9
123.08102	1.4
125.09711	9.7
126.90262	0.7
127.07588	0.8
127.11319	0.7
127.53487	0.6
133.06592	0.7
134.71284	0.6
135.08133	1.9
137.09731	0.9
150.06824	1.8
151.11206	0.7
161.04478	1.2
161.09642	0.6
163.04005	0.7
163.11269	0.8
171.08810	1.0
171.10248	15.6
172.10568	0.8
176.55197	0.6
179.10721	0.8
183.13828	1.1
185.11829	1.0
187.14850	1.6
189.16498	0.8
205.15952	2.6
209.11803	9.1
210.12030	0.6
211.11488	1.1
211.13376	15.1
212.13924	0.7
215.14365	2.4
219.10173	0.8
221.15495	1.6
224.04762	1.0
226.06432	0.9
227.12865	1.8
231.13847	3.4
233.15443	36.0
234.15746	2.1
235.08009	0.7
239.03459	0.7
249.14925	9.1
250.15248	0.7
251.16457	1.2
253.09297	4.1
257.17404	1.0
261.01251	0.7
331.26303	1.9
341.24722	2.8
351.21423	0.9
367.22742	2.2
375.25101	1.3
385.23737	9.2
386.23941	0.8
393.26767	1.4
403.24838	21.2
404.25150	1.8
421.25967	14.0
422.26248	0.9
447.08444	0.7
463.11783	1.3
464.12250	0.8
465.09799	1.4
494.13290	1.4
495.14075	12.8
495.36685	1.6
496.14886	2.8
639.33728	42.8
640.34210	6.4
657.19403	4.5
657.34808	100.0
658.19537	1.0
658.22424	1.0
658.35205	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	657.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01378	15.4
61.98831	8.9
65.03974	0.8
69.03448	1.0
69.51493	1.2
69.51903	3.4
71.01371	8.2
77.79286	0.6
81.03448	1.2
83.01361	1.0
83.05013	4.5
85.02940	1.7
85.06590	1.4
87.00832	1.6
89.02444	5.6
93.03473	0.8
95.05032	0.7
97.06567	1.7
101.02440	5.7
107.08641	1.0
109.06582	2.1
111.08138	3.7
113.02435	3.3
119.03477	1.2
119.05012	1.6
123.08085	0.8
124.76371	0.6
125.09704	6.1
135.08138	0.9
137.09648	0.7
150.06834	0.8
153.05521	0.7
161.04521	1.9
171.10272	18.4
179.05475	0.6
183.13832	1.0
187.14888	1.3
189.36528	0.7
190.21098	0.7
193.04900	1.0
203.14412	1.0
205.15974	3.3
209.11790	9.3
211.13383	9.4
213.12692	0.6
215.14320	1.9
221.15393	1.9
227.12810	1.4
231.13837	2.6
233.15471	16.1
234.15849	1.0
249.14943	10.2
250.15303	0.7
251.16441	1.5
253.09352	4.3
257.17517	1.1
264.80035	0.8
324.59253	0.6
331.26257	1.8
341.24768	2.4
359.25812	2.2
367.22714	1.2
375.25336	1.7
377.26840	1.5
385.23819	5.3
403.24854	13.2
404.24960	1.3
421.20340	1.1
421.25906	18.6
422.26270	1.9
495.36298	1.6
609.73199	0.7
639.33838	9.5
640.33380	1.2
657.34784	100.0
658.35211	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	659.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58075	0.3
59.01376	65.9
61.98816	1.1
69.25768	1.4
69.26195	1.7
74.42408	0.3
90.97126	1.1
116.97834	0.3
118.96645	0.6
132.98192	1.9
157.03535	1.8
159.01450	0.5
174.99231	22.5
192.95831	4.4
201.00659	0.8
201.02538	15.2
202.02713	0.9
217.00276	100.0
218.00568	2.5
218.98312	0.4
343.03766	1.3
359.01453	31.0
360.01617	2.8
374.99182	49.5
375.99539	1.8
434.06454	0.4
517.00317	7.2
518.00427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93023	0.5
55.01861	0.8
59.01378	22.1
60.01695	0.7
61.98827	12.4
68.99573	4.4
69.03437	1.0
71.01379	14.5
71.50877	1.0
72.99278	1.0
73.02944	8.8
73.95042	0.6
81.03467	0.6
83.01386	3.3
83.05014	2.6
85.02946	3.4
87.00883	1.0
89.02438	6.0
95.01353	0.8
95.05079	0.6
101.02428	9.7
109.06567	0.8
110.81618	0.8
112.98560	4.1
113.02435	5.7
115.00375	0.6
119.03474	1.7
119.05003	0.6
123.04485	0.8
125.02406	1.0
127.04018	9.0
134.06102	0.8
137.06062	1.0
139.07626	2.3
143.03494	0.7
154.42760	0.6
161.04529	1.0
163.03944	0.6
165.05588	1.5
174.01677	0.6
179.05652	0.8
181.05083	1.1
185.06047	2.4
206.05539	0.6
209.11778	1.2
211.13354	1.7
225.05522	0.8
226.06296	2.7
239.03520	1.7
241.05028	1.2
241.08752	1.3
255.06563	1.9
256.07016	0.6
275.20084	3.2
277.21790	0.8
280.03821	0.9
293.21167	3.7
295.06104	0.9
393.11304	1.3
411.12262	0.5
420.09857	2.6
421.10681	4.3
422.11340	0.7
422.92035	0.6
423.08749	1.2
430.08411	0.8
431.09250	1.6
432.09952	2.0
435.11972	0.8
437.09891	1.8
437.25314	2.0
438.10959	1.1
448.09262	5.4
449.10062	2.0
450.10953	2.2
451.12064	0.8
452.77002	0.7
453.13339	1.4
453.31598	0.8
455.26682	5.8
463.11783	11.6
464.12296	2.6
465.08786	1.0
465.13922	1.4
466.10480	2.6
467.15179	0.8
477.13211	1.2
479.14795	2.1
479.26331	2.2
480.12122	1.5
481.12891	45.6
482.13440	9.7
483.14517	1.0
495.14325	4.1
496.15228	6.6
497.16373	10.7
497.27518	39.2
498.16666	1.4
498.27896	2.4
531.31604	1.8
543.26239	1.5
615.37347	5.5
627.24243	0.7
644.19177	0.8
659.21271	100.0
659.37756	2.6
660.21606	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	659.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15120	0.5
59.01371	4.3
61.98830	3.1
71.01373	3.0
71.50711	0.7
72.99313	1.9
73.02945	0.7
78.91873	0.6
85.02937	0.8
87.00859	0.7
88.98805	1.8
89.02445	1.8
93.03407	0.6
99.00910	0.6
101.02454	2.1
113.02448	1.1
115.00379	1.5
117.03451	1.5
119.03559	1.0
119.05025	21.0
121.02976	1.2
123.04520	2.6
125.02413	0.8
125.62665	0.6
127.07649	100.0
128.07973	2.3
129.01959	0.7
129.05545	0.6
132.05795	1.4
133.06604	6.9
141.38068	0.5
145.02951	10.5
145.08725	0.7
146.65514	0.6
153.05560	1.1
161.04683	1.0
161.06071	16.5
162.06403	0.7
163.03996	20.1
164.04373	0.7
171.06619	94.2
172.06989	2.9
205.05049	20.6
206.05295	0.7
209.02338	0.6
235.06042	2.9
265.07141	7.3
299.09122	1.9
308.90738	0.6
325.09158	3.9
367.10214	3.1
383.09479	1.0
391.19370	2.8
427.12631	1.4
461.14322	1.4
594.29333	0.7
659.21869	49.9
660.22162	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	659.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
71.01369	3.3
72.07172	0.5
73.02938	1.8
85.02940	2.6
89.02440	0.9
95.01387	1.3
101.02426	0.6
113.02439	6.0
115.00351	1.7
117.03415	0.8
119.05022	17.2
123.04485	1.6
127.07644	93.0
128.07962	2.1
133.06592	3.0
145.02953	4.8
145.08795	0.8
158.92613	0.6
161.04564	1.7
161.06059	7.2
163.03995	15.2
171.06612	100.0
172.06906	3.2
187.03941	1.0
195.57867	0.6
199.72456	0.7
205.05038	7.1
307.13773	0.9
325.09225	5.4
367.10489	1.2
383.09583	1.7
391.19846	1.5
401.10541	0.7
497.16153	1.0
500.69653	0.7
659.21820	28.4
660.22174	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	659.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65596	0.8
59.01375	3.8
61.98827	13.4
69.14753	2.5
69.15176	5.7
71.01360	3.7
84.18539	0.7
85.02962	1.7
87.00874	1.3
93.03437	1.1
96.96012	0.9
101.02467	1.0
113.02468	3.5
115.00348	1.3
117.03462	2.0
118.11285	0.7
119.05028	23.9
121.02967	1.2
123.04504	0.9
127.07649	100.0
128.07962	2.9
129.05573	1.6
132.05768	1.0
133.06577	3.9
145.02943	8.0
145.08733	1.2
151.04036	0.9
153.05539	1.0
161.04727	1.3
161.06070	5.2
163.03990	19.4
171.06619	89.9
172.06949	2.9
187.03975	2.1
205.05038	7.0
311.08661	0.8
325.09262	5.7
337.01654	0.8
367.10373	1.1
521.54028	0.7
615.21997	0.8
659.21844	43.9
660.22168	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	659.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.62033	0.8
61.98827	32.1
63.99232	1.2
71.01369	3.0
71.50502	1.1
85.02932	0.9
87.00843	1.1
89.02428	1.8
89.34662	0.8
93.03469	2.0
99.08153	1.0
101.02437	1.3
113.02431	1.9
113.03194	0.8
115.00360	3.3
117.03482	1.8
119.03536	1.0
119.05014	15.5
121.02929	1.0
123.04523	4.7
127.07645	100.0
128.07993	2.3
129.05540	2.5
133.02969	1.3
133.06577	2.8
134.03726	10.5
135.04526	1.0
144.54791	0.8
145.02939	7.3
149.06114	0.8
153.05550	3.3
154.05811	1.0
161.06064	6.4
163.00572	0.9
163.04007	14.4
171.06621	73.6
172.06953	2.8
176.72993	1.0
193.05055	25.2
205.05072	6.0
235.06003	0.9
255.02885	0.9
265.07147	8.1
285.09546	1.0
325.09393	1.0
343.59631	0.9
355.10336	1.3
383.09619	1.1
458.17355	1.2
459.17831	2.6
461.14429	12.1
462.14877	1.3
482.22110	1.1
485.69641	1.0
609.17664	1.3
641.20270	1.9
659.21826	54.4
660.21783	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	659.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.85268	0.8
57.03438	2.0
59.01377	18.4
61.98833	12.3
65.17520	0.9
67.01882	1.3
71.01382	23.4
71.05032	0.8
71.41774	1.6
72.99292	1.7
73.02934	4.2
83.01376	4.0
83.05024	31.2
85.02946	9.9
86.58232	0.9
87.00872	2.6
88.98808	0.8
89.02438	8.1
95.01387	1.8
99.00906	2.1
99.04520	3.5
99.08168	1.2
101.02441	12.9
107.20679	0.8
109.06548	0.8
111.00829	1.6
111.08142	2.1
111.48663	0.8
113.02460	8.1
115.00365	14.5
119.03497	3.0
121.06539	4.2
122.03706	2.4
123.04524	9.6
125.02397	2.6
127.04011	100.0
127.07626	2.3
128.04347	3.3
129.05562	2.3
133.03044	0.9
137.02383	0.9
137.06091	5.6
139.04042	1.0
139.07643	29.3
140.07962	1.0
146.29948	0.9
153.05508	1.5
159.02925	1.3
161.04588	3.1
161.06088	3.3
165.05566	20.3
171.04483	2.8
171.06688	1.3
171.13817	0.9
174.01631	1.0
177.01970	1.2
178.02693	1.4
179.05527	1.7
180.02028	0.9
181.08754	0.9
189.60789	0.8
199.03917	1.3
202.46436	0.9
211.03854	1.1
222.55499	0.7
239.03511	1.6
241.05005	1.2
259.80524	0.9
275.09406	1.0
297.04095	3.9
361.07315	0.9
369.26450	3.0
370.26535	1.0
383.09766	9.9
384.10355	1.1
389.06631	3.0
391.08118	1.0
417.30276	1.4
421.10410	1.0
430.08109	1.4
435.31204	8.0
436.31403	1.5
438.11252	1.4
445.11020	0.8
449.09735	1.0
450.10822	1.0
453.13217	4.4
453.32300	6.3
454.32764	1.4
457.28192	2.0
459.09018	4.5
463.11795	3.8
464.12494	1.7
465.13379	1.3
474.15393	1.2
475.29135	1.0
481.13010	8.4
482.13455	4.0
496.15137	5.2
497.16034	9.1
498.16360	1.5
531.31714	31.3
532.32068	3.1
549.32660	4.4
553.13531	5.3
554.13757	1.8
597.36591	2.8
615.37439	58.6
616.37781	11.0
641.35260	4.0
642.35535	1.3
644.17542	0.9
659.21210	27.2
659.36432	31.4
660.21637	5.4
660.36938	6.3
666.16980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.8
61.98816	4.1
67.10049	0.6
78.95914	2.0
88.50760	0.7
119.62947	0.8
145.20772	0.7
187.17734	0.7
253.21909	0.8
255.23349	2.2
279.23367	1.3
303.69724	0.8
423.25317	1.3
474.54556	0.8
601.45551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01728	0.6
61.98821	2.9
64.74202	0.4
68.99583	0.5
69.00021	0.4
70.00650	2.0
78.95908	2.3
91.39227	0.4
112.98582	0.9
128.02251	0.4
152.99657	1.2
191.57973	0.5
191.59741	0.5
219.05659	0.5
255.23363	1.3
279.23514	0.8
295.35147	0.4
333.00607	0.5
423.25150	1.2
541.36926	0.6
565.28296	0.5
659.36719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59125	2.1
59.01379	100.0
61.98814	9.1
71.50449	3.7
76.17311	1.7
78.95911	9.0
89.34904	1.8
102.74860	1.9
118.12895	2.3
119.82619	2.0
126.90474	2.1
151.99059	2.1
152.99538	2.7
255.23297	3.5
279.23322	3.3
325.19891	2.1
484.27798	1.8
509.06259	1.9
588.75378	2.0
641.34949	2.2
659.35980	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	661.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73449	0.4
59.01381	3.3
59.13732	0.3
61.98829	4.8
63.99242	0.9
69.03445	0.4
69.08066	0.4
69.86666	0.4
71.01399	2.0
73.02935	1.0
73.60781	0.3
79.05556	0.4
81.07104	2.8
83.05020	1.3
85.02963	1.1
89.02477	0.7
93.03471	0.5
94.04243	0.6
95.05051	0.9
98.19906	0.6
101.02444	2.1
109.06601	6.1
110.06937	0.5
113.02480	1.8
115.00363	0.4
119.03503	0.6
121.02949	0.5
123.04525	17.6
125.73546	0.4
127.07653	13.3
134.03740	2.6
138.03226	7.5
153.05576	100.0
154.05928	2.9
161.04561	1.6
171.06630	13.3
172.06923	0.8
180.04326	0.5
193.05029	5.2
194.05432	0.8
287.27673	0.4
355.10034	0.5
386.58920	0.4
411.42026	0.4
439.16098	43.9
440.16373	4.6
461.14581	3.0
463.14972	0.5
661.23419	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	661.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03444	0.2
59.01376	5.8
61.98812	0.2
68.99818	0.2
69.03455	0.3
69.54878	1.1
71.01379	2.4
73.02941	2.8
74.03297	0.2
75.00878	0.2
79.05518	0.4
81.03448	0.2
81.06612	0.2
81.07090	3.9
83.01397	0.9
83.05035	1.2
85.02955	1.0
88.43041	0.2
88.98786	0.2
89.02440	0.7
93.01421	0.2
93.03473	0.5
94.04221	0.8
95.01377	0.3
95.05020	1.0
99.08221	0.2
101.02442	3.0
105.03464	0.5
109.06584	6.4
113.02454	2.4
119.03508	0.7
121.02982	0.3
123.04522	19.2
124.04850	0.6
125.02420	0.2
125.06098	0.5
125.35222	0.2
127.07645	13.4
128.07928	0.4
129.05612	0.3
131.03516	0.3
138.03226	8.2
143.03526	0.4
149.02411	0.2
149.04521	0.7
153.05569	100.0
154.05907	3.3
161.04552	1.6
171.06627	12.4
172.06920	0.5
182.54958	0.1
187.11195	0.3
209.86673	0.2
216.12619	0.2
221.06625	0.7
285.09808	0.8
289.13196	0.3
294.77475	0.2
393.13986	1.1
393.21353	0.5
439.16052	41.0
440.16437	3.7
500.10007	0.2
512.66699	0.2
564.10046	0.2
567.40820	0.2
641.85327	0.2
661.23413	2.1
662.24310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22274	0.8
59.01388	7.1
61.98829	14.4
62.52614	1.0
63.99241	1.7
71.01377	4.5
71.50317	1.0
73.02966	1.2
74.25080	0.9
81.07089	2.2
83.01431	0.9
83.05038	2.4
85.02981	1.4
89.02425	1.5
101.02435	2.5
109.06584	6.4
113.02429	1.5
115.00315	1.5
116.45567	0.9
123.04523	17.5
127.07658	12.0
134.03740	3.5
138.03241	8.1
153.05568	100.0
154.05931	2.3
161.02394	2.0
161.04570	1.8
165.01880	2.0
165.66451	0.9
171.06622	10.2
175.62459	1.1
176.04697	1.3
179.03473	2.7
180.04301	1.3
193.05064	7.7
194.05721	2.6
195.06657	1.5
209.08167	3.5
225.07715	2.1
287.99323	0.9
315.97141	1.0
319.15485	0.9
355.10382	1.4
403.14005	1.1
439.10019	2.2
439.16089	44.5
440.16544	2.6
461.14578	2.9
462.15244	1.2
568.71967	1.0
661.22980	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	661.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21094	1.0
57.03443	1.1
57.22758	1.1
57.62382	0.9
59.01111	1.8
59.01379	20.4
61.31385	1.0
61.98832	11.1
66.21026	1.0
70.64674	3.1
71.01379	94.2
72.99309	21.3
73.02945	3.5
83.01380	2.8
83.05032	1.5
85.02940	3.6
87.00870	1.8
89.02441	9.4
97.06590	2.3
99.00854	1.5
101.02438	11.9
102.10583	1.0
108.67339	1.0
109.06545	1.4
113.02433	6.7
115.00368	31.5
116.92872	1.4
118.88087	1.1
119.03520	2.0
119.05030	3.3
123.04514	4.1
127.04025	2.1
127.07629	4.7
133.01433	23.3
138.03201	1.1
141.09280	2.5
143.03491	1.3
147.04562	1.1
153.05577	19.0
154.05867	1.2
161.04530	3.6
163.04034	5.4
165.12805	2.1
166.20207	1.2
167.14401	1.4
171.06584	3.9
179.05539	3.6
181.12221	1.9
193.12289	1.2
195.13828	3.3
211.13409	6.2
221.15483	2.6
247.20612	3.6
253.09280	23.2
260.77850	1.1
273.18494	1.7
281.21133	1.7
291.19644	39.8
292.20038	1.8
298.30032	1.0
309.20694	100.0
310.21048	7.5
311.22086	1.5
327.21707	3.6
425.29443	1.5
439.16223	5.1
476.22916	1.5
498.15610	1.2
499.17435	1.7
545.29602	61.5
546.30115	8.4
617.39001	1.6
643.29523	11.4
661.21283	2.7
661.29639	15.6
661.39093	4.3
662.30249	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	661.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01381	11.7
61.98835	6.4
70.51601	1.8
70.51950	1.0
71.01382	73.1
72.01720	0.8
72.99309	18.0
73.02945	1.7
82.14593	0.8
83.01394	1.2
85.02940	2.2
86.98637	0.8
87.00877	1.5
89.02435	8.7
93.98811	0.8
95.82722	0.9
99.00838	1.3
99.31974	0.9
101.02434	7.6
111.08163	1.0
112.16185	0.9
112.98587	2.2
113.02435	3.2
114.93393	1.3
115.00376	14.5
115.93950	0.9
116.29080	1.0
116.92791	1.3
119.03504	1.3
127.07644	1.0
133.01418	4.6
151.11299	1.2
153.05598	1.3
153.12875	3.0
155.10742	1.1
161.04526	2.0
167.10722	1.9
169.12283	1.0
179.14398	1.7
181.12326	3.0
197.11813	3.3
199.13246	1.4
207.13837	1.9
212.13910	0.9
227.12726	0.9
228.13777	1.7
247.20610	3.0
253.09282	22.2
265.21826	0.9
273.18454	3.1
281.21124	1.7
291.19656	26.3
292.19971	2.2
309.20715	100.0
310.21051	8.6
499.28879	1.5
545.29663	60.9
546.30170	7.9
643.29791	10.6
644.30280	1.5
661.21088	1.3
661.30750	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03451	1.1
57.99704	0.4
58.00585	2.7
58.55203	0.4
59.01377	55.4
61.98822	0.7
64.09032	0.4
68.99813	0.6
69.03446	2.6
71.01378	41.9
72.01746	0.5
72.76754	0.4
72.99313	2.6
73.02944	7.8
74.51017	0.4
75.00872	1.3
81.03458	1.8
83.01389	6.0
83.05003	0.4
84.38105	0.4
85.02943	9.3
86.00075	0.6
87.00870	11.3
87.04504	0.5
89.02439	39.2
91.03970	0.6
93.03473	0.5
95.01385	3.5
97.02949	6.9
98.20654	1.1
99.00888	2.6
99.04529	1.0
101.02438	35.9
102.02772	0.6
109.02944	0.5
111.00887	0.8
111.04520	1.2
113.02442	17.8
115.04004	1.1
119.03497	12.2
121.02978	0.7
123.04494	0.7
124.01759	0.4
125.02438	15.2
127.04005	0.7
131.03491	2.2
133.05081	1.4
137.02525	0.4
139.03999	1.1
141.01959	0.8
143.02443	0.6
143.03491	7.8
148.45990	0.5
149.04512	1.6
157.05132	0.6
161.04539	7.9
167.03505	1.0
169.05052	0.7
171.02940	0.5
179.05602	8.4
179.14740	0.4
185.04521	0.9
189.15752	0.4
199.06136	0.8
203.05598	1.2
204.65213	0.4
217.07127	1.0
219.05011	0.5
219.09770	0.4
219.21063	0.7
221.06593	3.1
235.08202	16.2
245.06760	1.0
245.19057	0.8
253.09273	4.0
261.18640	0.4
263.07635	1.7
263.20126	100.0
264.20456	6.5
277.09293	1.1
287.07739	3.7
305.08755	4.5
323.09769	2.3
361.11124	0.8
376.16916	0.4
379.12198	1.1
397.13461	88.0
398.13739	6.3
400.44543	0.5
415.14539	38.3
416.14844	3.0
460.74670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26191	0.9
52.68078	1.0
55.97668	0.9
59.01380	81.1
61.98825	4.9
67.53311	1.0
71.50917	1.5
75.35017	0.8
78.95910	18.2
84.32786	0.9
85.17190	0.9
85.55622	0.8
96.96941	1.8
104.72359	0.9
106.17632	0.9
124.95535	0.9
125.81950	0.9
152.99588	8.3
201.11327	2.0
209.11839	3.4
228.53256	1.1
244.57292	1.0
255.23375	1.2
277.21713	100.0
278.22107	7.5
279.23257	11.9
280.23508	1.2
291.68173	1.0
381.13065	1.6
390.65536	0.9
415.22510	2.9
643.36041	5.0
661.37067	7.5
677.52148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.09052	1.1
57.03430	1.9
57.11454	1.0
59.01378	15.6
61.26318	1.0
61.98599	0.9
61.98833	10.0
69.30973	3.8
69.31398	5.5
71.01377	18.7
71.09760	1.1
72.99301	1.9
73.02956	6.9
75.01916	1.2
78.12842	1.0
83.01374	4.2
83.05018	33.1
85.02948	11.5
87.00866	2.5
89.02428	4.2
95.01359	2.3
99.00864	2.8
99.04482	2.4
99.08172	1.1
101.02426	13.0
111.00866	3.5
111.08132	2.2
112.80217	1.2
113.02439	4.7
115.00337	1.3
119.03556	1.6
119.05002	1.5
121.06580	4.5
122.03719	2.2
123.04520	3.0
125.02426	2.7
127.04007	100.0
127.07615	2.1
128.04341	3.4
137.06061	6.3
139.04063	1.3
139.07637	34.0
140.07968	1.1
153.05553	1.2
159.03036	1.6
161.04498	2.5
163.03954	4.3
165.05553	21.7
166.31717	1.2
171.06473	1.6
287.02164	2.7
298.71643	1.0
369.13538	1.2
371.27975	2.1
393.06183	2.0
431.13348	1.4
437.32379	2.9
451.45749	1.1
455.33524	5.6
477.30600	2.8
531.31708	1.3
533.33295	29.6
534.33423	3.3
551.34534	4.6
599.37787	3.1
615.36914	1.3
617.38977	69.1
618.39349	12.0
643.36908	4.9
661.37988	37.3
662.38409	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	661.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03440	1.4
59.01378	15.3
61.98824	8.5
64.95686	1.0
67.01894	1.8
71.01376	16.5
71.50540	1.7
72.99283	1.5
73.02946	5.3
77.57948	1.1
83.01392	3.2
83.05025	31.9
84.05327	1.4
85.02944	8.1
87.00861	1.5
89.02458	2.5
94.89281	1.1
95.01390	2.4
99.00923	1.4
99.04508	2.3
99.08152	1.2
101.02442	11.2
111.00880	2.9
111.08159	1.8
113.02450	5.5
115.00375	2.3
119.03505	1.7
119.05008	1.1
121.06559	2.6
122.03741	3.6
123.04514	2.9
125.02441	2.7
127.04012	100.0
127.07610	2.3
128.04344	2.8
129.05547	1.9
137.06123	5.3
139.07649	31.8
140.07968	2.3
153.05528	2.9
161.04521	1.9
163.04018	4.3
165.05565	20.5
166.05910	1.1
168.83514	1.0
171.13924	1.2
206.28032	1.0
243.02875	1.0
287.01871	1.7
291.63696	1.1
301.88751	1.2
359.93161	1.0
371.27948	1.9
381.13538	2.3
393.05981	3.6
455.33600	5.5
477.30804	2.8
531.32092	1.4
533.33264	27.0
534.33551	4.5
551.34216	3.6
599.38373	3.7
601.32239	1.2
617.38977	69.1
618.39392	8.6
625.36377	1.5
643.36902	4.7
648.98218	1.5
661.27032	2.3
661.37933	33.4
662.38104	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	662.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.5
61.98821	4.8
70.06828	4.6
71.01382	33.4
71.49760	5.5
85.02946	6.1
87.00883	26.5
88.94627	4.7
89.02436	8.0
92.68006	4.2
96.96021	9.0
101.02427	7.6
113.02409	6.5
115.00386	29.3
116.05091	5.6
116.07218	5.8
121.77991	4.4
140.07179	11.0
146.08206	35.6
175.02463	68.2
184.36676	4.5
203.08174	11.1
248.29376	5.3
249.03706	4.5
277.88669	5.2
308.13452	6.3
380.15582	100.0
672.31885	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	662.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.3
61.98829	100.0
64.57877	0.7
68.57155	0.6
69.38312	3.9
69.38718	1.2
71.01394	4.0
73.02968	1.0
83.01402	1.1
85.02959	1.5
87.00922	0.9
89.02445	2.7
96.96025	1.0
99.08189	0.6
101.02451	2.3
103.18345	0.8
111.00874	1.8
113.02449	1.8
119.05094	1.5
123.04519	1.3
127.00368	1.0
142.44968	0.6
146.03723	7.1
147.04575	1.5
153.05560	0.9
159.04527	5.5
160.05293	1.8
161.04639	1.0
161.06071	1.5
163.04083	3.1
164.04439	0.6
172.05367	2.2
173.06056	1.5
187.04007	11.1
188.04782	11.5
198.06757	0.8
203.05630	2.1
212.04897	0.7
221.06641	1.7
225.12825	1.7
241.12241	0.7
243.14035	0.7
269.11893	5.7
269.15527	1.8
270.12573	1.1
283.13498	0.8
285.14963	3.6
287.12888	4.9
295.13324	9.3
313.14435	34.8
314.14871	2.2
325.92166	0.7
331.15472	15.1
332.15881	1.4
405.19330	0.7
407.21045	0.9
549.23608	1.3
552.22534	0.9
567.24420	65.9
568.24768	9.5
594.38947	0.7
599.26953	7.2
600.27454	1.0
663.36035	1.4
676.42371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03453	0.7
57.53816	0.5
59.01380	100.0
59.14481	0.5
60.01716	0.9
61.98832	6.5
67.01919	0.6
68.99866	0.7
69.03474	1.3
71.01382	22.7
71.50636	0.8
71.50980	0.5
72.99310	0.8
73.02938	5.4
81.03452	1.1
82.57341	0.5
83.01386	9.8
83.05051	0.6
84.99330	0.7
85.02952	5.9
86.03329	0.5
87.00890	0.8
89.02444	4.5
93.03455	0.6
95.00858	0.8
95.01363	3.2
95.05006	0.6
97.02969	0.9
99.00888	2.7
99.04549	0.7
101.02441	10.5
111.00874	2.6
111.04475	0.6
113.02449	10.5
115.00340	0.7
119.03500	2.4
119.05023	2.2
120.05299	0.6
123.04535	4.1
125.02502	2.1
127.00393	6.7
127.07627	0.7
129.05595	0.7
133.06598	1.0
139.00414	2.3
143.03535	2.4
147.04523	16.0
149.04550	0.5
153.05568	1.4
155.03514	0.9
157.01411	1.1
159.03061	0.7
161.04570	11.3
161.05902	0.8
162.04953	0.6
163.04028	2.0
173.00928	0.6
179.05650	0.5
185.04529	1.8
189.05586	3.0
203.05615	42.8
204.05980	0.9
211.02554	0.9
221.06648	25.3
247.04578	7.4
330.19183	0.5
359.17392	0.5
371.09860	4.1
395.09753	5.5
396.10205	0.6
425.10928	0.8
437.10825	1.5
501.30551	1.1
631.22705	0.7
662.48932	0.7
663.35931	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	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10075	0.6
55.01867	1.1
57.03456	1.1
59.01377	100.0
60.01705	0.7
61.98824	7.6
67.37225	0.6
69.03448	0.9
71.01380	23.2
72.99322	0.9
73.02945	5.6
81.03440	1.5
83.01393	10.7
84.99319	0.9
85.02946	6.2
86.82133	0.8
87.00887	1.3
89.02451	4.7
95.01385	3.4
95.05007	0.9
97.02959	1.6
98.16744	0.6
98.20774	1.1
99.00865	3.1
99.04503	0.7
101.02435	11.3
103.05549	0.7
109.02943	0.7
111.00890	5.4
113.02444	12.7
117.01908	0.6
119.03522	2.2
119.05010	2.3
123.04522	4.6
125.02456	2.5
127.00361	8.3
127.07677	0.9
131.03535	0.7
133.06593	0.7
139.00389	2.0
143.03510	2.2
147.04515	17.4
153.05565	1.3
154.03891	0.6
157.01418	1.0
161.04567	11.5
161.05934	1.4
163.04027	2.6
171.06667	1.0
185.04575	1.5
189.05510	3.1
203.05603	40.3
204.06050	1.0
221.06645	21.7
221.08792	1.1
247.04573	6.6
317.97226	0.8
368.47028	0.7
371.09909	4.1
395.09738	6.0
402.97107	0.7
407.53342	0.6
425.10910	1.1
432.66229	0.7
437.11057	1.3
525.14197	1.0
572.47766	0.7
663.36401	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	663.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03445	1.5
58.00583	1.7
59.01381	39.1
61.98819	1.6
69.03456	2.3
71.01382	36.1
72.99303	2.4
73.02941	4.7
75.00851	0.8
78.95900	0.6
81.03457	2.0
83.01387	4.1
83.05030	0.5
85.02950	6.7
87.00876	7.9
87.04520	0.6
89.02448	30.7
90.02793	0.4
91.04040	0.6
95.01376	2.9
97.02946	5.4
99.00871	1.7
99.08111	0.4
101.02447	29.6
109.02956	0.7
111.00876	0.7
111.04502	1.1
113.02451	13.0
115.03963	0.7
119.03505	11.1
121.02969	0.5
125.02448	12.6
126.02826	0.5
127.03993	0.5
131.03505	1.5
133.05067	1.2
137.02405	0.5
139.04008	1.5
141.01936	0.9
143.03503	5.5
149.04514	0.7
161.04556	7.6
167.03531	0.9
179.05614	7.3
179.07048	0.8
185.04602	0.6
199.06117	0.8
217.07115	1.1
221.06682	2.0
226.98352	0.4
235.08231	11.8
236.08749	0.5
245.06609	0.7
247.20567	0.5
253.09299	4.0
263.07669	1.6
265.21716	100.0
266.22049	8.3
277.09332	1.2
287.07870	2.8
305.08752	3.5
323.09918	1.6
345.12180	0.4
361.11429	0.6
379.12381	1.0
397.13498	78.1
398.13837	6.0
415.14575	32.3
416.14832	1.6
685.74170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
59.28889	0.3
61.98828	100.0
70.85515	0.6
70.85847	0.6
71.01385	1.1
73.02939	0.6
75.93788	0.2
81.07112	1.2
82.07425	0.5
83.05038	0.3
89.02445	0.7
90.86491	0.2
101.02469	0.8
109.06586	1.3
113.02449	0.4
115.00348	0.4
119.05026	0.5
123.04528	3.9
124.04838	1.9
125.05058	0.4
127.07641	2.7
128.08025	1.2
129.08134	0.3
131.03488	0.3
138.03214	1.4
139.03613	0.6
140.03725	0.3
153.05569	19.4
154.05911	8.9
155.06046	3.6
156.06412	1.0
171.06644	1.7
172.06979	1.0
173.07159	0.7
179.05595	0.7
186.05652	0.3
300.38718	0.3
327.08728	1.5
343.53369	0.3
439.16052	1.5
440.16531	3.8
441.16653	4.0
442.16959	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	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.81197	0.1
67.15047	0.2
69.16174	1.8
98.20699	0.2
210.56253	0.2
403.02765	0.2
435.60425	0.2
472.68164	0.2
579.26501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.0
61.98827	16.9
62.82819	0.7
69.43498	1.3
69.43908	3.2
71.01379	17.6
71.01779	0.9
72.99295	1.5
73.02942	1.5
83.01344	1.2
85.02952	1.9
87.00849	1.0
88.08245	0.7
89.02450	3.7
93.03446	2.9
98.19978	1.4
101.02429	3.6
113.02425	2.5
115.00373	26.3
119.03490	1.8
119.05022	38.2
120.05359	1.7
125.02429	0.6
133.01427	38.3
134.01790	0.8
143.04996	2.2
145.02972	1.3
161.04677	0.8
161.05975	0.7
163.04002	23.0
164.04254	0.7
174.05554	1.1
176.04794	0.8
177.05579	0.6
193.05063	1.7
229.89085	0.6
237.09180	5.3
239.10751	2.5
265.08624	2.3
283.09668	5.2
307.07916	0.6
309.07629	1.3
327.08713	100.0
328.09045	8.3
328.12570	0.8
341.93549	0.7
377.31277	0.7
399.19839	0.7
443.09726	6.4
444.10364	1.1
459.22617	0.9
502.21802	0.7
561.29108	5.4
579.30121	5.4
621.30884	0.8
665.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12798	0.5
55.28547	0.5
58.08042	0.5
59.01377	6.4
61.98828	22.8
62.88815	0.5
66.89927	0.4
69.53436	2.0
69.53858	1.5
71.01377	14.1
72.99298	1.4
73.02949	0.7
83.01389	0.6
85.02950	1.6
87.00894	1.1
89.02443	3.7
93.03448	4.7
96.99308	0.7
101.02436	3.2
113.02451	2.5
115.00368	15.9
117.03493	0.8
119.03543	1.3
119.05019	16.0
123.04582	0.7
127.07743	0.6
129.14325	0.5
129.39363	0.5
131.04941	0.5
133.01425	17.5
134.03691	1.0
143.05035	3.5
145.02974	0.6
145.06625	1.5
163.02759	0.7
163.04016	8.9
167.84908	0.5
171.04439	0.7
179.05461	0.7
193.05054	2.0
197.05952	0.5
211.07596	1.2
223.07559	0.9
235.07584	1.1
237.09207	7.1
238.09593	0.9
239.10823	2.6
253.08789	0.6
265.08716	6.1
283.09708	11.8
284.10068	0.8
309.07639	1.2
327.08716	100.0
328.09021	8.6
333.69077	0.5
391.56509	0.5
417.21320	0.5
443.09726	7.2
444.09949	0.6
561.29004	4.3
579.30292	2.8
621.31287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.4
59.01376	22.5
61.98821	14.9
69.03435	0.9
71.01377	15.7
71.50731	1.0
72.99319	0.9
73.02930	4.6
75.00841	0.7
82.02722	0.7
83.01373	3.0
84.68211	0.8
85.02955	7.9
86.00087	0.7
87.00880	2.0
89.02438	3.3
95.01411	2.0
95.05011	2.4
97.02955	1.4
99.00905	1.8
99.08152	42.7
100.08477	1.6
101.02432	8.9
103.06161	0.7
105.03452	1.3
109.06596	0.8
111.00863	1.4
113.02432	6.7
119.03477	0.9
119.05037	1.1
123.04516	100.0
124.04813	3.2
125.02428	2.4
127.07644	57.9
128.08015	2.2
129.05573	19.5
138.03268	1.1
143.03452	1.6
147.04503	0.9
149.02472	0.9
153.05563	61.7
154.05899	2.7
159.02998	0.6
161.04521	9.2
171.06612	15.5
172.06952	0.9
189.07669	2.6
285.09747	22.5
285.14670	0.9
286.10233	0.9
292.41391	0.7
431.81830	0.7
457.17108	33.0
458.17505	3.2
459.25674	0.8
461.31052	2.4
503.32138	1.7
569.33276	0.9
570.38098	0.8
605.35333	19.8
606.35718	2.9
623.36462	17.3
624.36798	1.6
665.37476	9.4
666.37469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.8
71.01385	16.1
87.38630	2.2
89.02430	4.6
96.95994	4.2
101.02416	4.8
115.00375	6.1
119.05032	46.5
129.05649	2.0
133.01418	8.8
161.04541	2.5
163.04010	100.0
164.04376	3.6
179.05573	2.9
229.63942	2.3
279.05127	3.4
306.23807	2.2
654.49786	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69631	1.2
55.01875	2.3
56.06305	1.3
57.03430	2.3
59.01376	54.7
61.98825	100.0
69.74129	7.1
71.01376	46.5
72.99275	1.6
73.02941	6.1
79.89922	1.2
83.01366	4.8
85.02951	12.3
87.00852	3.8
89.02438	18.1
93.03443	9.1
95.01379	4.6
96.99348	1.4
98.02468	2.4
98.19968	2.0
99.00855	4.3
101.02438	22.5
113.02437	16.6
115.00375	15.1
119.03538	7.6
119.05006	17.2
123.04495	3.7
125.02407	3.4
129.01950	1.8
131.03494	1.4
133.01413	15.3
134.03700	1.3
143.03419	2.6
143.04988	5.5
153.05592	1.4
161.04630	6.2
163.03984	14.9
168.02979	1.9
177.52934	1.4
179.05515	1.6
193.05037	2.3
196.02548	3.1
211.07681	2.5
214.03537	2.7
228.13568	1.3
237.09190	4.8
265.08667	8.8
271.04303	1.2
281.08127	5.3
283.09698	6.6
284.10239	1.5
289.05222	2.7
309.07645	5.4
327.08707	94.3
328.09091	11.3
399.23886	3.6
417.24805	4.8
443.09717	5.8
465.17343	1.6
561.29108	53.6
562.29724	8.3
579.30145	40.9
580.30353	4.3
591.25232	1.5
621.31268	10.6
666.33337	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	665.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98458	0.7
59.01379	100.0
60.01710	0.9
61.98824	2.1
71.50553	1.3
95.52762	1.1
96.34203	0.8
104.66872	0.8
108.44479	0.8
193.35866	0.9
195.98926	0.9
255.23291	1.0
257.70251	1.0
277.21716	46.3
278.22040	4.2
449.86899	0.9
485.36411	1.6
581.28931	1.4
637.35846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.35549	0.2
57.03436	1.2
58.00591	1.9
59.01376	38.4
60.01725	0.3
61.98829	1.8
67.01882	0.4
67.22559	0.2
68.99818	0.6
69.03453	2.1
71.01378	33.1
72.01701	0.4
72.99309	2.5
73.02942	5.7
75.00858	0.9
79.57168	0.2
81.03452	1.7
83.01379	3.8
83.05012	0.3
84.02190	0.3
85.02946	8.1
86.00126	0.4
87.00868	7.4
87.04486	0.3
89.02438	30.5
90.02771	0.3
91.03997	0.8
93.03461	0.4
95.01394	2.9
95.05065	0.4
95.18378	0.2
97.02948	6.4
99.00859	2.2
99.04507	0.5
101.02435	28.5
102.02774	0.5
103.00376	0.3
103.04012	0.4
103.38673	0.2
107.24175	0.2
109.02936	0.5
111.00874	0.4
111.04504	1.0
113.02444	14.1
114.02796	0.3
115.04009	0.8
119.03494	9.8
121.02979	0.9
124.01655	0.4
125.02444	11.2
127.03985	0.5
131.03485	1.5
133.05090	0.7
139.03986	1.0
141.01930	0.5
143.03497	5.8
149.02406	0.3
149.04553	1.0
161.04539	6.4
167.03470	0.7
169.05035	0.6
179.05591	6.1
181.05017	0.3
183.83176	0.3
185.04544	0.4
191.16765	0.3
199.06056	0.7
203.05560	0.3
217.07149	0.7
218.36684	0.2
219.04948	0.4
221.06554	1.9
233.23927	0.2
235.08203	13.5
236.08690	0.4
245.06624	0.7
253.09239	3.7
263.07648	1.8
267.23257	100.0
268.23590	7.1
277.09323	1.0
281.24741	0.7
287.07651	3.1
305.08719	3.0
323.09738	1.7
361.11423	0.4
379.12405	0.9
397.13470	75.6
398.13797	5.0
415.14545	31.1
415.18839	0.5
416.14801	2.2
636.37207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03441	2.1
58.00587	1.2
58.39222	0.4
59.01379	48.1
60.01722	0.6
61.98819	1.6
63.62427	0.4
71.01382	37.4
71.50649	0.6
71.51035	0.4
72.01745	0.6
72.99314	2.3
73.02946	9.0
75.00865	0.6
83.01384	5.1
85.02953	14.4
85.06618	0.4
86.00124	0.6
86.56860	0.4
87.00862	2.7
89.02443	18.6
93.03482	0.5
95.01378	3.1
97.02950	0.6
97.06590	1.7
99.00895	2.6
101.02445	25.6
111.00868	1.5
113.02452	14.1
115.00355	3.1
119.03507	8.5
119.04959	1.1
122.91045	0.4
123.04478	0.5
125.02399	0.5
129.01938	0.9
129.97176	0.5
131.03519	0.5
133.01433	6.3
141.01904	0.5
143.03499	1.7
147.04565	0.6
159.02975	1.5
161.04562	3.2
163.03987	1.2
179.05624	2.0
189.07690	0.5
199.59190	0.4
213.18520	0.8
237.09178	0.5
265.08792	0.7
281.24695	0.6
283.09723	1.0
293.25113	0.5
305.24878	1.2
327.08740	9.3
328.08899	1.0
341.26984	1.9
353.16284	0.4
413.25443	1.2
443.10480	0.5
467.30130	3.3
485.31049	0.5
503.32285	19.7
504.32376	2.4
593.67828	0.5
619.35150	0.5
665.37518	100.0
666.26801	0.9
666.37897	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	665.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50369	0.7
55.01869	2.6
56.03862	0.7
57.03441	1.8
57.32924	0.6
58.00583	2.0
59.01379	52.6
61.98826	10.4
62.46197	0.5
70.51542	2.2
71.01382	42.3
72.99303	3.3
73.02942	6.5
75.00880	0.6
82.77562	0.7
83.01383	5.2
85.02457	1.2
85.02950	16.5
87.00875	2.5
89.02442	25.9
95.01404	3.3
97.02924	0.9
97.06583	1.8
99.00884	2.9
99.08123	1.4
101.02440	25.6
111.00877	4.1
113.02448	16.8
115.00374	1.0
119.03493	10.9
119.04988	1.2
123.04532	1.9
125.02409	1.7
127.07591	1.2
129.01859	0.7
129.05585	0.9
131.03471	0.9
133.01421	3.8
143.03497	2.3
147.04494	0.7
149.04581	1.2
153.05640	1.0
159.02972	1.6
161.04536	4.3
162.12462	0.6
163.03958	1.9
175.02489	0.9
179.05597	3.8
187.03897	0.6
193.05046	1.3
205.12001	0.6
236.53938	0.7
291.75073	0.6
305.24838	0.9
327.08856	1.9
341.26944	1.1
361.18817	1.1
397.18796	1.4
400.85263	0.7
467.30035	1.8
485.31201	1.4
503.32300	16.6
504.32590	2.5
665.37531	100.0
666.37811	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	667.1509
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
59.01377	2.2
61.98819	1.7
65.00343	1.0
69.79395	2.7
70.69675	0.5
71.01382	1.4
73.02953	0.6
83.01384	0.8
85.02967	0.4
88.98758	0.5
89.02415	0.7
89.50717	0.6
92.23333	0.5
96.96072	0.6
101.02406	0.6
107.01407	2.0
107.30411	0.5
109.02954	1.2
109.92673	0.5
115.00378	1.2
116.92838	0.7
133.01479	0.9
133.02905	0.5
134.03801	0.6
134.33357	0.5
145.02936	1.8
150.01830	0.5
151.00334	6.0
153.05460	0.5
163.00375	0.5
163.04034	1.0
171.04411	0.7
175.00340	0.6
175.03979	1.5
178.99800	1.2
181.17038	0.5
187.03949	0.7
199.03946	3.4
201.01796	1.0
203.03426	0.6
214.27512	0.6
215.03516	1.2
226.02687	0.9
227.03436	4.2
241.21028	0.5
243.02979	4.5
255.02974	2.0
271.02451	57.2
272.02832	3.6
282.01727	0.6
299.01932	100.0
300.02527	15.8
301.03497	33.9
302.03879	1.4
313.03418	1.2
343.04462	1.0
462.08002	22.6
463.08704	14.3
464.09079	1.2
493.10037	0.5
505.09793	14.7
505.17249	0.7
506.09991	1.3
547.10956	1.1
625.13776	0.8
667.15082	67.2
668.15338	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	667.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76806	0.8
58.00594	1.4
59.01376	100.0
61.81644	0.9
61.98813	2.0
71.01380	17.9
72.99310	1.1
73.02942	16.0
73.03327	0.6
83.01386	5.9
85.02940	3.1
89.02443	11.3
95.01412	1.3
98.20713	1.4
101.02439	22.1
113.02444	8.1
114.60445	0.9
115.00333	1.5
116.92844	1.7
119.03467	4.8
131.03499	3.1
133.01370	1.4
143.03526	2.7
149.04546	3.0
161.04544	7.7
163.04013	1.4
179.05598	2.4
203.05672	1.6
221.06558	2.0
223.16476	1.0
247.11821	1.7
317.38376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61369	3.6
51.63122	3.2
59.01376	100.0
61.98831	17.9
63.65883	3.7
68.76665	3.4
69.03503	3.8
69.15143	36.1
71.01375	37.2
73.02946	15.1
83.01398	4.7
85.02953	5.6
85.70949	3.4
89.02423	18.7
99.00871	5.1
101.02437	24.4
113.02434	14.9
114.61539	3.5
115.00359	29.9
119.03484	9.9
119.04992	17.2
133.01431	82.0
134.06041	5.9
149.04533	7.0
161.04587	9.8
162.05586	8.1
163.04031	18.2
174.05563	4.4
190.05164	4.6
218.04456	7.4
260.67676	3.9
383.81366	3.9
547.19598	4.6
557.17444	4.5
577.20306	35.7
578.20740	7.7
618.57379	3.9
649.22125	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	667.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03449	0.9
58.00582	2.1
58.70409	0.8
59.01381	42.0
59.59883	1.0
61.98843	3.5
69.03456	1.9
71.01385	32.4
71.51319	1.0
72.99305	2.7
73.02950	5.6
73.36170	0.7
75.00850	1.4
77.03866	0.8
78.95923	0.9
80.55611	0.7
81.03460	1.7
83.01378	3.3
85.02944	9.1
87.00884	9.6
89.02446	32.8
95.01381	2.9
97.02958	6.5
99.00885	2.1
101.02446	31.9
106.51871	0.7
111.00856	1.2
113.02448	13.9
119.03499	10.8
120.38522	0.7
121.02995	1.1
125.02444	12.7
131.03502	1.6
139.04001	1.1
141.01939	0.8
143.03488	6.9
149.04604	1.1
161.04558	7.8
167.03552	0.9
169.05026	0.7
171.10287	6.5
179.05611	6.9
217.07219	1.1
221.06650	2.4
230.66048	0.7
235.08176	13.7
253.09239	3.9
255.23264	1.1
263.07593	1.4
269.24844	100.0
270.25183	8.6
277.09293	0.9
277.21698	4.5
287.07791	3.4
305.08722	5.3
323.09735	2.1
325.13773	0.8
345.86499	0.7
379.12451	1.2
397.13504	85.1
398.13739	6.0
415.14594	33.4
415.19257	0.5
415.20435	0.8
416.14938	2.2
441.61072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77608	0.5
55.01869	3.0
56.98499	0.5
57.03436	1.8
58.00579	1.7
59.01378	39.6
60.01690	0.7
61.98822	3.3
68.71989	0.6
69.03448	1.0
70.66727	0.6
70.67062	1.2
71.01381	37.3
72.01754	0.7
72.99301	2.5
73.02940	7.7
83.01379	5.8
85.02460	1.0
85.02949	13.5
87.00883	2.8
89.02441	19.4
95.01394	3.2
99.00901	3.3
101.02436	21.7
105.01911	1.2
105.95674	0.5
111.00903	2.7
113.02438	11.2
119.03500	7.1
123.04529	1.5
125.02424	1.3
129.01988	1.0
138.46185	0.6
143.03488	1.0
145.02878	0.5
159.02980	1.2
161.04507	4.2
179.05602	2.4
260.86115	0.5
277.07938	0.6
343.28503	1.3
485.80203	0.7
487.32477	1.6
505.33755	17.6
506.33990	2.9
667.39063	100.0
668.39557	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	667.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63107	0.6
54.93349	0.6
55.01887	4.0
57.03442	2.2
58.00584	0.8
59.01380	29.3
61.61403	0.6
61.67355	0.6
61.98820	3.2
70.47879	1.4
70.48232	1.6
71.01385	32.1
72.99300	2.2
73.02946	9.4
75.00885	1.1
83.01387	5.2
85.02956	15.8
86.00111	0.7
87.00865	3.4
89.02448	12.2
95.01385	2.6
99.00899	3.5
101.02446	27.1
101.03107	1.5
111.00900	4.5
113.02445	12.7
115.70944	0.7
119.03500	3.1
121.10247	1.6
125.02441	2.7
131.03546	1.1
132.89507	0.7
141.01854	0.9
143.03485	1.3
159.02986	2.0
161.04575	3.4
168.00639	1.4
172.09668	0.7
179.05675	1.3
185.15431	1.3
223.57140	0.8
253.05162	0.9
343.28561	1.9
355.21136	1.5
399.20520	1.6
505.33844	20.2
506.34106	2.3
592.21185	0.8
623.19641	1.1
667.39093	100.0
668.39447	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08841	0.5
53.29358	0.5
54.73215	0.5
55.01865	2.1
57.03429	2.1
58.00578	2.4
59.01377	39.8
60.01697	0.7
60.23640	0.5
61.98810	1.7
68.45860	0.5
68.99809	0.7
69.03433	0.7
71.01380	36.3
72.01701	0.9
72.99294	2.1
73.02560	0.7
73.02940	7.7
75.00842	0.5
83.01389	4.3
85.02464	1.1
85.02949	13.2
86.00125	0.6
87.00866	2.1
88.98787	0.9
89.02441	18.6
90.02830	0.6
95.01366	2.2
99.00887	2.7
99.08140	1.1
101.02438	22.8
102.02783	0.6
111.00870	2.3
113.02441	10.9
115.00390	1.4
119.03494	6.4
119.04945	0.7
121.10205	1.1
121.75444	0.6
123.04509	0.8
123.84925	0.5
127.07610	1.0
129.01938	1.2
129.05565	1.3
130.08698	0.7
133.01395	1.8
137.95323	0.5
141.01897	0.8
143.03448	1.0
151.70427	0.6
159.02928	0.9
161.04530	2.9
163.03857	0.7
179.05559	2.3
185.15477	1.5
189.07697	3.7
232.97908	0.5
246.58151	0.6
278.55719	0.6
325.27509	0.7
329.09229	0.6
343.28302	1.3
347.20779	0.7
487.32455	2.5
505.33725	14.5
506.34076	1.7
560.51141	0.6
607.36316	0.7
667.38977	100.0
668.39392	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	667.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.18292	0.6
56.30923	0.7
57.03434	1.6
58.00595	0.8
59.01378	38.8
61.98825	10.4
69.03458	0.9
70.78709	1.2
71.01380	24.8
72.99311	1.6
73.02939	7.2
75.00877	0.9
83.01394	4.3
85.02950	10.2
86.00117	0.7
87.00858	1.7
88.98802	1.1
89.02435	6.1
95.01390	1.5
97.02960	0.7
99.00881	2.7
99.08181	1.0
101.02440	19.8
103.03986	0.9
111.00868	0.8
113.02441	10.5
119.03506	2.5
119.05046	1.6
121.03032	0.7
123.04543	1.5
125.02431	1.7
127.07638	1.9
143.03482	1.1
147.04520	37.5
148.04842	2.4
153.05562	0.9
159.02979	1.2
161.04541	4.4
163.04016	0.8
179.07085	0.7
187.09811	0.7
202.67549	0.7
208.00441	1.5
209.00900	0.7
210.00238	0.8
331.17679	2.8
349.18680	0.8
366.55927	0.8
445.31747	2.8
501.30475	1.4
519.31543	4.4
538.18457	0.6
607.36633	4.9
608.37799	0.9
649.36884	1.1
667.39099	100.0
668.39362	16.2
686.08228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55327	0.6
55.01868	2.1
56.61002	0.6
57.03437	2.4
59.01377	40.1
60.01722	0.8
61.98540	0.9
61.98830	12.4
62.70516	0.6
69.69392	3.7
71.01381	23.9
72.99299	1.7
73.02944	8.1
75.00849	1.0
75.70656	0.8
79.61078	0.7
83.01388	4.2
85.02952	12.6
87.00874	1.9
89.02447	7.6
94.48598	0.8
95.01340	1.3
96.23874	0.6
97.02957	1.3
99.00869	2.6
99.08122	1.5
101.02449	17.4
111.00906	0.9
113.02444	9.0
119.03487	2.0
119.05008	1.0
123.04544	1.6
127.07614	1.0
129.05583	1.3
143.03496	1.5
147.04523	33.2
148.04785	1.7
159.03046	0.9
161.04521	4.3
165.05573	0.7
179.05611	1.0
189.07719	1.5
208.10681	0.6
209.74493	0.7
222.73549	0.7
246.79478	0.6
349.30130	0.6
445.31754	2.1
519.31757	10.1
520.31915	1.8
607.37225	2.9
667.39069	100.0
668.39417	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	667.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28188	0.2
57.35262	0.2
59.01376	2.0
61.49597	0.2
61.98841	0.5
62.29610	0.2
71.01375	1.4
73.02949	0.2
85.02929	0.3
89.02441	1.0
89.55470	0.2
101.02419	1.7
113.02456	1.0
119.03471	0.4
125.09727	0.8
127.11266	1.5
153.09184	0.4
161.04532	0.6
171.10252	100.0
172.10602	3.6
179.05566	0.3
235.08183	1.2
253.09258	5.1
277.21692	48.7
278.22073	3.9
364.21570	0.2
371.24371	0.2
407.19208	0.8
477.20392	0.2
550.90649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53401	0.2
59.01363	0.3
61.98825	100.0
69.03445	0.2
71.50996	0.3
71.81522	0.2
85.77037	0.2
87.89351	0.2
97.02942	0.2
105.57206	0.2
106.06616	1.3
107.13766	0.2
123.00896	0.4
124.01689	0.8
125.02443	2.4
149.99588	1.1
150.05627	0.7
167.03577	0.3
168.00650	2.7
169.01288	0.5
214.08759	0.3
331.06720	2.3
332.07068	0.9
369.89197	0.3
400.06274	0.3
445.15198	0.4
464.12051	0.5
508.10977	3.3
509.11658	0.2
535.08319	0.2
576.63446	0.3
601.72247	0.2
670.16431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51040	0.2
59.01376	0.7
60.99307	0.3
61.63909	0.2
61.98828	100.0
71.01387	0.2
71.50990	0.3
74.94122	0.2
88.98810	2.0
96.06378	0.2
105.37370	0.2
118.26890	0.2
123.04566	0.3
124.01614	0.3
125.02426	0.4
128.97566	0.2
163.04083	0.3
167.27130	0.2
168.00687	0.4
213.05399	0.2
347.12930	0.3
445.15262	0.3
465.79916	0.2
671.23126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98835	4.3
70.68981	0.8
71.01381	8.0
72.26001	0.4
73.02947	2.6
80.45950	0.4
83.01399	1.3
85.02946	3.3
87.00872	0.7
89.02461	0.6
95.01398	1.0
99.00867	1.4
99.04520	1.0
101.02438	5.1
108.02171	1.1
109.02979	2.6
113.02464	4.4
121.02969	2.7
121.06569	0.7
122.03741	100.0
123.04568	12.5
125.02375	0.4
135.04492	1.4
137.02415	1.6
137.06079	1.2
143.03479	0.8
147.04521	1.3
149.06100	0.7
159.03000	1.3
161.02515	0.9
161.04552	11.7
161.05891	0.8
162.03178	0.5
165.05586	5.7
167.03491	0.4
177.05585	2.8
195.20639	0.5
283.02444	0.9
285.03995	0.5
285.09753	5.0
329.08759	57.0
330.09036	3.7
609.14648	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	671.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37144	0.6
53.36216	0.5
59.01375	6.1
61.98812	1.8
69.37849	1.1
69.38264	2.7
71.01375	1.7
72.11095	0.6
88.98749	1.1
89.02419	1.0
101.02438	1.0
113.02458	0.7
119.03545	0.7
122.06078	0.8
123.04533	3.7
145.88974	0.6
147.03200	1.0
148.03972	0.7
159.05624	1.0
160.04027	1.3
162.05580	0.8
165.00319	0.5
172.07596	0.8
174.01762	0.6
174.05513	0.6
175.02721	3.7
176.03519	2.8
184.06253	0.9
184.07745	1.1
191.02203	0.6
192.06664	1.1
197.07133	0.7
199.08803	0.9
200.05537	0.6
200.07228	1.4
201.03061	0.6
204.03113	0.7
211.08736	1.1
212.05644	0.9
212.07356	1.2
212.10759	0.8
215.04628	0.9
215.08168	1.9
225.06609	1.7
226.05127	1.0
226.07318	1.1
227.04556	3.4
227.08195	5.4
228.05386	2.3
231.04092	1.0
238.05058	0.8
238.07130	1.1
239.08185	2.7
240.04973	0.8
240.06586	2.4
240.10428	0.7
241.03770	2.0
241.06189	1.4
241.09802	1.0
242.06911	1.0
243.07686	5.5
243.11345	1.0
253.06139	2.6
253.09732	1.9
255.04053	10.5
255.07701	6.7
255.11353	2.1
256.04706	10.9
265.06155	0.9
265.09796	0.8
266.06992	1.6
267.07602	3.1
268.04974	1.0
268.08484	3.1
269.05615	2.8
269.09149	1.8
270.06461	1.7
271.07217	48.3
272.07697	3.9
279.07712	0.9
281.06000	0.9
281.09241	3.5
282.06451	0.9
283.07187	12.8
283.10822	9.5
284.07486	0.9
287.06628	0.7
287.10257	1.6
293.05685	1.6
294.06445	2.7
296.04413	4.2
297.05075	1.5
297.08728	2.8
299.06699	7.3
299.10266	2.4
300.07037	0.8
307.07147	0.7
308.08020	0.8
309.05774	0.8
309.08795	7.2
311.06729	26.6
312.07074	2.1
315.09808	0.9
315.13443	1.4
325.08243	2.0
327.09888	4.8
331.09378	4.8
335.06763	0.8
341.11334	1.2
343.09225	4.1
344.09796	0.6
353.07645	1.5
359.12534	1.8
371.08801	0.6
385.10461	3.3
403.11502	6.8
403.19745	3.9
439.15820	0.6
509.15585	1.0
595.19684	2.7
596.19653	0.8
611.18713	4.6
612.19318	0.5
621.17511	0.8
639.18085	4.7
640.18939	0.8
653.19745	0.6
671.20862	100.0
672.21149	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	671.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74602	0.4
57.03433	0.7
59.01382	6.1
60.01753	0.4
61.98834	11.9
71.01392	5.0
71.50966	0.6
72.99316	0.6
73.02956	1.0
79.34892	0.4
83.01376	1.3
85.02937	1.3
87.00870	0.5
88.98805	1.0
89.02436	1.3
93.03478	1.1
97.18665	0.4
99.04536	1.2
99.08167	0.7
101.02459	3.0
105.01917	1.7
109.06615	0.6
113.02460	1.9
113.06092	0.5
115.00391	0.9
115.28576	0.4
117.03582	0.4
119.03536	0.7
119.05051	3.2
123.04510	3.0
125.02424	0.6
127.07642	4.1
128.08006	0.5
129.05624	0.9
134.03758	0.8
137.06065	1.0
138.03226	0.5
147.04471	0.6
149.06058	2.4
150.06868	46.6
151.07201	2.2
153.05589	7.1
161.04593	1.0
161.09763	0.5
163.04022	2.6
163.07658	5.2
164.08426	5.2
165.08945	0.4
167.46001	0.4
171.06602	1.2
175.02550	0.4
176.08449	0.8
177.09215	0.7
178.09975	2.3
179.10780	21.8
180.11147	1.0
193.05025	1.6
193.08679	0.4
195.08195	1.0
209.11850	0.5
241.08647	0.4
244.43294	0.4
249.09238	0.6
311.09274	1.0
320.20007	1.3
321.20618	1.3
322.10413	0.9
332.19867	0.5
334.21426	1.2
335.22232	5.7
343.21225	1.0
347.13132	0.5
347.22412	0.5
350.20996	10.0
351.21356	1.3
361.18466	1.0
364.22531	3.2
365.23315	100.0
366.23663	7.9
403.19809	1.2
439.16049	3.5
440.16626	0.5
473.14539	1.2
474.14786	0.5
491.33945	1.5
492.34537	0.5
498.66049	0.5
509.34802	1.1
515.15674	1.5
527.28510	8.5
528.28607	0.7
537.18018	1.1
653.39294	0.6
671.41449	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	672.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.39504	0.3
68.80889	0.3
70.11057	0.3
79.06673	0.3
99.12323	0.3
109.48576	0.3
126.06095	0.3
151.00323	0.6
193.33101	0.3
211.04041	0.4
227.03491	1.5
255.02968	8.8
256.03503	0.9
269.04843	0.4
283.02460	26.5
284.03149	4.8
285.04016	19.6
286.04413	1.7
297.04230	0.5
327.05194	0.8
343.81253	0.3
446.08527	5.1
447.09268	13.2
447.15463	0.7
448.09683	1.6
489.10474	1.1
609.14539	28.8
610.15112	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	672.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	40.1
61.98824	25.6
62.40176	2.4
66.78155	2.3
68.70276	2.0
69.76907	2.2
71.01377	18.3
71.50502	2.9
73.02953	11.7
83.01385	4.5
85.02938	5.0
87.00914	2.4
88.98799	6.5
89.02454	8.2
93.03462	3.4
96.99342	2.2
101.02458	12.7
111.67431	2.1
113.02444	7.2
118.23365	2.3
156.10295	3.6
158.11867	6.1
162.72806	2.5
165.05562	33.1
166.05902	10.1
167.14407	10.9
171.10146	3.3
209.11783	3.5
211.13382	12.6
223.13429	4.0
229.14479	5.2
237.18889	2.6
251.21268	2.4
265.17911	4.1
265.21820	5.3
308.22214	2.7
343.00378	2.8
358.44812	2.5
511.17203	13.7
530.29803	4.8
568.34888	5.0
586.35999	8.3
623.96991	2.7
628.37024	100.0
629.37415	16.5
673.22729	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	673.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
57.13226	1.2
59.01378	100.0
61.98833	11.5
62.01170	1.1
69.42129	9.0
71.01388	6.1
72.99290	1.0
73.02896	1.2
75.00900	6.2
75.01310	1.2
85.02950	1.6
87.00882	1.3
89.02443	3.0
98.20644	1.8
99.04498	2.0
101.02424	1.3
113.02455	1.6
123.04489	1.9
135.02989	11.0
153.05513	1.4
161.02240	1.3
165.12843	3.1
207.13846	4.2
209.11826	10.7
225.14931	8.3
227.12878	61.5
228.13197	2.1
251.12886	3.2
269.13916	17.1
271.07245	1.3
287.14990	86.4
288.15283	4.7
345.15414	1.9
349.13980	1.2
387.31763	1.2
405.16788	2.4
405.21851	5.8
420.56400	1.3
449.20123	3.7
449.26862	1.3
555.24420	94.8
556.24823	11.3
561.70673	1.3
561.79645	1.2
638.07703	1.5
641.18542	1.4
673.27563	46.8
674.27814	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	673.4162
Annotation	CHEBI:67338
Peak:m/z	Relative Intensity
53.89344	0.6
57.03447	7.8
59.01371	6.1
61.98819	2.2
70.45557	1.5
70.45914	0.8
71.01385	1.9
83.04998	1.0
85.02955	2.2
92.49493	0.6
99.08152	35.2
100.08505	0.7
101.02443	0.9
101.06096	1.3
109.06558	1.1
112.77709	0.6
113.02500	0.9
127.07647	60.1
128.07928	1.2
129.05573	100.0
130.05902	2.6
138.03207	1.3
146.14847	0.6
153.05566	37.3
154.05907	1.2
161.04520	0.9
171.06628	13.4
187.67834	0.6
189.07707	0.6
241.46297	0.6
255.23260	54.1
256.23608	4.1
263.11322	1.9
269.24796	2.4
297.24146	1.1
373.82114	0.6
501.34549	0.8
644.60248	0.7
655.40466	2.7
673.41650	29.7
674.41620	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	674.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16112	0.8
59.01377	60.4
61.98830	11.4
67.45298	0.8
73.04851	0.7
81.04789	0.7
90.97151	1.2
98.20749	1.4
112.24400	0.7
118.96642	1.0
132.98148	1.5
139.55992	1.0
156.35559	0.8
162.84431	0.8
174.99232	24.8
192.95816	2.8
201.02531	6.5
203.99899	1.4
216.66228	1.0
217.00276	100.0
218.00584	2.2
240.69928	0.9
274.11206	0.9
359.01489	10.8
374.99179	73.4
375.99500	2.2
517.00391	1.7
532.98163	14.7
581.15747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22775	1.3
59.01376	10.8
61.98826	26.2
62.53830	1.2
69.03428	3.5
70.51604	1.2
70.51936	3.5
71.01363	5.2
81.03440	1.4
83.01354	2.1
85.02923	2.5
88.98808	2.7
89.02422	3.5
95.01362	2.9
97.02915	2.7
99.08144	1.6
100.59666	1.2
101.02422	3.4
107.01350	3.5
109.02876	1.3
113.02419	1.9
119.03484	1.9
123.00867	10.2
123.04535	3.4
124.01660	21.8
125.02438	48.7
126.02770	1.5
127.07610	1.8
129.05505	1.3
135.89587	1.4
137.02365	1.7
138.32401	1.2
149.99577	26.7
151.00298	5.6
152.07062	1.5
153.05528	3.4
156.45795	1.2
161.02368	1.5
167.03381	1.4
167.99237	2.5
168.00630	51.0
169.01421	7.4
179.05415	1.3
183.13792	2.8
227.12775	5.2
288.18448	1.4
288.22192	1.3
363.16876	1.6
379.19852	1.2
407.19366	8.9
417.28778	1.6
675.24866	100.0
676.25250	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	675.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96980	0.4
53.10439	0.5
54.27502	0.4
57.03447	5.6
59.01374	2.3
61.98829	4.0
65.88457	0.4
71.01379	2.6
71.50831	0.7
73.02924	0.7
73.60344	0.5
83.05015	0.5
85.02921	0.7
93.03463	0.5
95.05016	1.1
96.96012	2.0
99.08153	30.6
100.08489	0.7
101.02415	1.7
109.06570	0.9
113.02426	1.1
123.04515	55.4
124.04850	1.8
127.07644	40.1
128.08044	1.0
129.05571	45.1
130.05936	1.3
137.02426	4.8
138.03210	8.9
139.04002	1.0
149.02373	0.5
153.05563	25.2
154.05882	1.0
161.04535	3.9
171.06604	7.6
172.06946	0.6
189.07634	5.6
209.11772	0.9
235.09770	6.1
285.09753	6.9
319.27420	0.5
407.17126	2.0
439.15991	1.0
457.17096	100.0
458.17514	10.3
531.54596	0.5
637.77588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85147	0.6
57.03446	7.7
59.01380	6.3
59.97400	0.5
61.98826	4.7
69.02528	0.5
69.56302	3.3
71.01384	4.2
73.02934	1.0
77.73832	0.6
83.05016	0.7
85.02966	2.1
88.45966	0.5
89.02445	0.8
93.03476	1.2
95.05003	2.3
96.96050	1.0
99.08154	36.5
101.02427	2.0
103.45326	0.6
105.03516	1.0
109.06587	1.2
113.02433	1.8
121.02992	1.0
123.04518	91.1
123.42661	0.5
124.04853	2.5
127.07645	55.1
128.07976	2.5
129.05576	27.1
130.05896	0.9
137.02451	7.6
138.03212	11.6
139.03989	2.0
153.05565	52.0
154.05904	2.1
161.04559	5.5
171.06618	11.0
176.40764	0.7
189.07661	12.5
200.72731	0.6
209.11847	1.2
211.13411	0.7
217.08739	0.9
220.88005	0.5
235.09717	8.0
285.09766	14.5
286.09985	1.2
407.17010	5.1
408.17468	0.9
457.17111	100.0
458.17450	11.0
597.95361	0.6
628.13214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16333	3.7
55.01868	4.2
59.01375	35.2
61.98835	30.2
70.67181	10.0
71.01395	10.0
83.04992	6.9
85.02941	4.9
89.02431	5.0
98.02467	5.7
99.08155	8.4
101.02442	12.8
102.44444	3.8
107.03742	5.9
110.02453	10.0
111.04510	12.6
113.02461	6.5
115.00346	4.8
119.03500	4.5
120.08191	9.1
122.03664	5.0
122.06127	29.8
123.04475	6.6
125.02491	5.6
127.03992	14.2
127.07658	11.4
129.05577	15.4
137.06027	6.0
150.05623	9.8
151.00363	4.4
152.03474	6.0
152.07162	42.8
153.05582	6.9
153.07497	4.3
161.32289	4.6
165.05563	5.3
171.06639	10.3
174.05518	4.8
189.07674	26.9
201.10239	8.5
209.11790	5.2
210.12325	4.1
213.10367	5.5
227.11803	11.7
229.09863	8.5
237.10336	7.3
255.11270	12.2
265.09778	7.4
273.12445	4.8
300.03024	5.2
301.11972	21.0
319.12894	21.3
325.11896	8.5
355.12933	11.8
356.13623	5.2
372.13348	5.4
374.15262	4.9
388.16763	8.0
392.15854	5.1
416.16397	20.8
434.17157	9.2
463.08551	5.7
513.15326	4.7
547.31244	7.0
557.23700	8.7
581.24109	15.5
599.24915	30.7
600.25940	6.1
624.92719	4.9
631.36932	6.8
643.24097	61.6
644.24170	11.5
675.26849	100.0
675.35669	4.8
676.26447	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	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33308	2.0
57.72989	1.8
57.78712	2.0
59.01383	20.1
59.46939	1.7
61.98832	29.3
63.60162	1.6
71.01382	7.9
71.21302	1.7
71.50707	3.0
72.99297	2.5
80.05041	4.9
81.03461	2.3
83.01397	3.1
83.05054	3.6
85.02943	2.1
87.00881	2.6
92.16093	1.7
94.03004	2.2
94.06612	1.9
98.02470	5.5
101.02444	3.6
106.06641	4.6
107.03783	7.4
109.02966	1.7
110.02474	10.9
111.04539	15.6
113.02419	2.9
115.00261	1.8
119.03473	2.0
119.05010	1.8
120.08195	10.7
122.06116	33.5
123.04527	3.6
124.04082	3.3
125.02455	2.7
127.04030	5.5
127.07685	2.6
129.05533	2.9
130.06693	2.3
132.04546	2.1
134.06113	4.5
136.04063	4.8
138.05652	2.3
139.02765	2.8
147.05679	2.2
150.05568	10.6
152.03535	10.3
152.07184	43.6
153.07497	2.1
154.05151	3.2
161.04633	1.8
162.05591	2.5
166.05141	2.2
171.06702	1.9
174.05627	5.3
175.02353	1.9
181.10794	1.8
190.05145	4.0
201.10324	11.6
209.08865	2.0
209.11806	2.3
210.11891	2.3
213.10338	4.6
213.14279	2.0
223.08878	2.5
224.09550	1.8
227.12007	6.1
229.09875	10.0
229.13464	5.8
237.10420	4.6
239.11951	4.0
245.12964	3.4
255.11356	14.0
257.12964	4.8
265.09760	4.6
273.12454	5.2
279.11438	2.6
281.13034	3.1
283.10904	3.4
295.10837	4.6
297.12326	2.3
299.15649	2.0
301.11923	19.9
301.24728	1.9
309.12549	2.5
313.12112	3.8
319.12997	27.2
320.13123	2.2
323.10385	2.9
325.11801	13.9
326.12909	2.2
355.12854	10.3
359.12653	2.3
372.13565	3.3
373.14334	3.2
374.15048	8.1
386.11490	2.5
388.16669	8.2
392.16312	4.1
400.12766	3.3
401.14240	1.7
416.16089	20.7
417.16528	2.7
434.17032	2.5
539.23199	3.8
555.26398	4.2
557.24213	14.7
581.23895	13.5
582.24060	2.3
599.25061	36.5
600.25604	5.0
602.24231	2.6
624.22833	2.2
625.23016	4.0
631.27692	2.9
631.37323	2.9
643.24091	59.4
644.23785	8.6
669.20825	2.2
675.26831	100.0
676.27283	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	675.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.7
59.01380	21.2
61.98830	24.3
69.89392	3.4
69.89752	8.5
71.01368	10.4
73.02933	2.7
75.90547	1.9
78.95876	2.0
83.01410	1.8
85.02959	3.7
87.00883	2.3
88.98807	3.3
89.02453	2.9
93.03444	1.8
95.05015	2.1
98.19923	2.3
99.07564	3.5
99.08153	38.6
101.02422	7.8
109.02958	2.2
113.02422	4.4
115.00402	3.7
119.05011	4.7
123.04516	92.3
124.04864	3.5
127.07641	63.2
129.04688	3.7
129.05579	36.7
137.02422	8.2
138.03241	14.8
143.03418	1.9
153.05559	48.5
154.05832	2.0
159.49780	2.2
161.04547	8.6
161.05980	3.0
163.03955	6.0
171.06639	10.4
171.10278	6.0
183.13898	2.9
189.07643	10.4
209.11852	10.3
211.13373	6.8
226.06247	2.4
227.12889	2.8
235.09871	9.5
241.08688	3.0
285.09750	11.6
291.19574	2.3
309.20657	7.5
407.16791	4.6
411.50092	2.1
457.17145	100.0
458.17383	10.9
459.00833	2.1
469.16483	4.4
513.16644	4.5
621.32617	4.8
639.33972	4.0
675.21405	2.9
675.32867	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	675.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.7
59.01380	21.2
61.98830	24.3
69.89392	3.4
69.89752	8.5
71.01368	10.4
73.02933	2.7
75.90547	1.9
78.95876	2.0
83.01410	1.8
85.02959	3.7
87.00883	2.3
88.98807	3.3
89.02453	2.9
93.03444	1.8
95.05015	2.1
98.19923	2.3
99.07564	3.5
99.08153	38.6
101.02422	7.8
109.02958	2.2
113.02422	4.4
115.00402	3.7
119.05011	4.7
123.04516	92.3
124.04864	3.5
127.07641	63.2
129.04688	3.7
129.05579	36.7
137.02422	8.2
138.03241	14.8
143.03418	1.9
153.05559	48.5
154.05832	2.0
159.49780	2.2
161.04547	8.6
161.05980	3.0
163.03955	6.0
171.06639	10.4
171.10278	6.0
183.13898	2.9
189.07643	10.4
209.11852	10.3
211.13373	6.8
226.06247	2.4
227.12889	2.8
235.09871	9.5
241.08688	3.0
285.09750	11.6
291.19574	2.3
309.20657	7.5
407.16791	4.6
411.50092	2.1
457.17145	100.0
458.17383	10.9
459.00833	2.1
469.16483	4.4
513.16644	4.5
621.32617	4.8
639.33972	4.0
675.21405	2.9
675.32867	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03427	1.1
58.00576	2.2
59.01376	54.1
68.99559	1.0
69.03435	2.2
69.52026	1.4
69.52448	2.5
71.01378	36.3
72.99288	2.1
73.02943	6.9
75.00857	0.9
81.03426	1.9
82.87348	0.5
83.01373	4.1
85.02940	7.9
87.00871	9.9
89.02441	37.2
91.04004	0.8
93.03471	0.6
95.01398	3.2
97.02934	6.7
99.00862	3.6
99.04496	0.9
101.02438	33.0
103.04047	0.7
109.02922	0.9
111.04474	1.7
112.98536	0.7
113.02439	16.4
119.03499	12.2
123.04503	0.5
125.02436	13.6
125.21274	0.5
129.68329	0.5
131.03476	1.7
133.05067	1.3
139.03969	1.1
140.86426	0.5
141.01920	1.3
143.03496	6.3
149.04588	1.0
153.54160	0.5
153.78757	0.6
157.05110	0.6
161.04555	7.9
167.03464	1.1
179.05595	8.0
180.32950	0.5
185.04552	0.9
189.53087	0.5
199.06203	0.6
200.87357	0.5
203.90375	0.5
217.07162	1.9
219.04967	0.6
221.06587	2.9
235.08205	16.4
236.08748	0.8
245.06630	1.0
253.09171	4.4
263.07651	1.9
277.09320	1.4
277.21692	100.0
278.22028	8.3
287.07730	4.4
305.08746	4.2
323.09781	1.7
379.12555	1.1
397.13464	78.8
398.13800	6.9
415.14523	37.2
416.14923	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18042	0.5
55.01860	2.1
57.03433	1.2
58.00584	1.6
59.01377	57.8
69.03439	2.4
71.01379	39.4
72.99296	2.2
73.02946	8.0
81.03427	2.1
83.01379	3.9
85.02950	8.9
86.00090	0.6
87.00871	10.0
89.02441	41.7
95.01394	3.4
97.02950	7.7
99.00858	2.8
101.02438	36.7
111.00865	0.9
111.04519	1.4
113.02448	16.9
115.03959	0.9
119.03490	11.7
119.04331	0.7
121.02930	1.0
125.02448	14.1
131.03464	1.5
133.05095	1.1
139.04004	1.1
141.01906	0.7
143.03488	6.7
149.04512	1.2
161.04556	7.5
167.03392	0.7
169.05042	0.7
171.03055	0.6
179.05606	7.6
182.66440	0.6
185.04558	1.2
199.06169	0.7
203.05693	0.7
217.07031	0.7
221.06667	3.7
235.08209	17.1
236.08444	0.6
245.06734	0.7
253.09276	4.1
259.20624	0.7
263.07611	1.6
277.09351	1.2
277.21692	100.0
278.22064	7.6
287.07605	3.2
305.08722	3.8
323.09866	2.1
379.12625	0.8
397.13464	80.4
398.13922	3.6
415.14563	37.6
416.14719	1.1
500.88464	0.6
546.81061	0.6
619.30298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65175	0.1
59.01376	1.7
59.95895	0.1
61.98827	100.0
62.98534	0.2
71.01373	0.9
73.02958	0.4
83.01382	0.3
85.02981	0.2
88.98810	0.2
89.02452	0.3
96.96010	0.2
101.02441	0.3
113.02502	0.3
115.00397	0.3
119.03465	0.2
119.05027	0.2
123.04532	0.3
130.08913	0.2
153.05554	0.2
161.04642	0.2
163.03972	0.2
215.43541	0.1
237.84206	0.2
288.15515	0.2
321.15808	0.3
363.16635	0.8
364.16998	0.8
408.19452	0.3
448.73926	0.2
558.25452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19478	1.5
51.87335	1.8
55.01892	1.7
59.01384	15.0
60.99301	9.9
61.98827	61.7
70.91521	1.8
71.01386	10.3
71.50304	2.8
73.02939	2.4
85.02946	3.1
88.98805	61.8
89.02460	3.9
94.73466	1.6
99.08160	4.1
101.02439	4.2
113.02477	2.5
115.00348	2.6
123.04495	7.2
127.07655	96.4
128.07999	4.7
129.05576	3.7
131.93602	1.8
145.08653	1.7
147.04532	9.0
153.05577	5.3
154.06071	1.9
158.96199	1.7
161.06114	2.1
171.06624	70.6
171.08095	4.2
172.06941	2.9
186.19083	2.1
209.11803	2.0
211.13405	2.6
458.17154	2.1
459.17285	2.5
480.42459	1.9
481.17130	100.0
482.17444	9.4
515.32941	2.1
589.96051	2.1
663.27344	2.7
677.26648	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	677.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43506	2.2
59.01371	22.9
60.99305	16.1
61.98829	31.0
71.01373	11.9
71.50670	3.0
82.95376	2.3
85.02962	5.7
88.60818	2.0
88.98801	87.9
89.02427	7.2
94.39113	2.0
99.08121	4.5
101.02443	5.6
113.02473	3.2
123.04533	7.1
127.07652	94.7
128.07982	6.4
129.05585	5.5
145.08646	2.4
147.04497	15.4
153.05559	8.2
161.04631	2.4
161.06079	5.6
165.67690	2.4
171.06624	67.8
189.05598	2.6
209.11813	2.5
226.06314	2.7
458.17493	2.8
459.17523	4.1
464.12433	2.8
475.39761	2.8
479.14951	9.6
479.24234	3.0
481.17139	100.0
482.17380	11.2
617.46405	8.7
677.38397	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88809	1.1
57.08829	1.0
58.36210	1.0
59.01375	8.1
60.99303	20.3
61.95116	1.0
61.98823	12.8
69.26553	9.9
71.01384	3.7
80.21403	1.2
85.02951	1.4
88.98801	100.0
89.02473	1.1
96.96011	1.3
99.08195	2.7
101.02419	2.1
123.04519	4.5
124.04927	1.1
127.07648	79.0
128.08000	2.8
129.05576	2.7
147.04497	7.0
153.05553	3.2
161.06076	5.8
171.06618	47.8
172.06898	2.2
188.07671	1.2
205.42523	1.1
284.98697	1.1
306.12283	1.2
309.24329	1.0
407.16656	1.2
457.16977	1.5
458.17099	1.6
459.17664	3.0
481.17102	88.9
482.17322	8.9
515.15747	1.4
677.25787	1.1
677.37817	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	677.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01379	100.0
61.98829	8.6
71.01382	13.8
71.50543	1.6
72.01691	0.9
73.02934	3.5
78.08193	1.0
83.01375	2.5
85.02959	4.1
87.00874	2.0
89.02435	13.3
95.01347	1.9
95.05022	2.1
96.96016	12.6
98.02425	0.9
99.04545	2.3
99.08139	1.3
101.02443	8.5
103.00369	2.3
111.04531	1.4
113.02451	8.8
115.00365	1.1
119.03497	5.1
120.65498	0.9
123.04529	5.8
125.02427	1.2
126.33517	0.9
127.07632	2.2
129.05638	1.3
143.03493	1.4
150.06807	1.1
152.47168	1.0
153.05589	2.1
159.08070	1.5
161.04562	4.1
161.13353	12.8
169.06674	1.0
169.10187	1.0
179.05603	3.1
185.13376	2.0
187.11276	21.0
203.05688	1.1
205.12312	50.3
206.12643	2.5
207.66359	0.9
221.06709	1.4
223.13382	5.3
229.12219	5.9
231.10168	1.0
247.13345	2.8
247.15552	1.3
249.11301	42.6
250.11674	3.4
265.14386	2.7
267.12338	10.1
273.11230	1.0
277.28723	1.3
291.12402	6.1
295.09695	0.9
306.95837	1.1
309.13412	67.2
310.13708	5.0
315.12460	1.2
321.13235	1.1
341.10687	2.1
343.06912	1.0
351.14420	2.8
367.00369	1.2
367.17392	1.5
409.21011	10.1
411.16614	16.7
412.16876	1.5
429.17670	4.8
430.17456	1.3
471.18723	32.2
471.25507	1.5
472.18906	3.0
497.16617	1.6
708.26868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.41877	1.6
61.98829	2.0
63.24107	1.6
65.08916	1.5
65.31422	1.5
71.01387	11.8
81.22807	1.3
83.01421	2.4
85.02937	4.8
87.00870	10.6
89.02459	7.5
95.01339	1.9
99.04528	5.2
101.02419	4.2
113.02440	10.7
115.00383	3.1
119.03491	3.7
123.04464	2.5
129.01938	1.7
143.03491	2.1
157.06630	1.8
159.11731	1.6
161.04581	4.4
161.13345	13.8
186.30409	1.4
187.11266	30.3
188.11606	2.1
196.86345	1.5
203.14531	1.6
205.06979	1.5
205.12315	47.6
206.12698	3.8
229.12341	6.7
247.13440	3.9
249.11288	48.5
250.11639	3.9
260.07327	1.9
265.14471	4.7
291.12350	7.1
293.10229	1.9
309.13412	70.1
310.13712	6.4
351.14685	2.6
371.85559	1.6
411.16479	16.9
412.39877	1.7
453.17780	2.5
457.17166	2.4
471.18658	32.3
472.19202	2.8
677.21753	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	677.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35817	2.7
59.01376	100.0
59.14718	2.7
61.88592	2.8
61.98820	12.8
63.49427	2.9
71.01377	23.0
71.50811	3.9
71.68099	2.6
72.99313	4.2
75.00864	5.9
75.47446	2.8
77.34196	2.4
80.91658	2.9
83.01387	5.8
85.02927	9.6
87.00877	3.8
88.98821	14.9
89.02439	12.5
94.98058	4.1
95.01377	3.7
99.04482	3.3
101.02413	14.4
109.02943	4.2
113.02428	15.9
115.00374	8.4
119.03490	5.2
123.04509	7.3
133.01421	3.7
153.05542	3.3
161.04613	3.9
161.13315	17.8
163.03981	3.0
187.11252	19.5
203.07085	3.2
205.12280	41.6
223.13365	6.3
225.11139	3.5
235.01167	3.0
249.11325	42.9
250.11729	3.3
252.77582	3.1
265.14288	4.3
267.12369	4.7
291.12302	6.0
293.10181	3.3
309.13385	65.0
310.13907	4.1
351.14197	5.0
383.09558	3.5
411.16568	22.3
429.17581	6.7
471.18460	27.6
677.21484	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	677.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33786	0.7
59.01381	20.5
61.98812	3.3
69.33359	7.5
71.01369	2.6
78.95901	58.0
85.02967	0.9
89.02433	1.7
96.96953	10.9
101.02437	2.2
104.69688	0.9
106.16164	0.9
113.02402	1.0
119.03466	1.3
119.05026	1.3
150.97987	1.1
152.99580	71.6
171.00632	1.6
172.05045	0.9
196.32573	1.1
223.00117	6.6
226.67787	1.0
235.08180	1.1
241.01175	17.0
259.02167	1.9
279.23270	57.6
280.23749	4.1
315.04776	10.1
397.13422	4.9
415.14474	1.8
595.28857	100.0
596.29236	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	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12375	0.4
55.01860	1.8
57.03442	1.1
58.00582	2.0
59.01378	40.0
60.90576	0.4
61.84250	0.4
69.03436	2.8
71.01379	34.2
71.50866	0.8
72.99306	2.6
73.02940	6.0
78.95901	0.7
81.03432	1.4
83.01376	4.1
85.02946	7.7
87.00872	9.3
89.02441	31.9
91.03997	0.6
95.01364	2.4
95.04993	0.8
97.02939	6.1
99.00888	2.1
101.02441	26.8
102.02740	0.5
109.02896	0.8
111.00848	0.9
111.04504	1.2
113.02445	14.2
115.04002	0.9
115.54323	0.5
119.03493	9.6
119.05003	1.6
123.00864	0.6
125.02441	12.2
131.03462	1.4
133.05060	0.6
139.04008	1.0
141.01953	0.4
143.03482	5.7
149.04495	1.2
152.99571	1.2
161.04547	5.8
163.03995	2.1
167.03470	0.8
179.05597	6.8
185.04514	0.6
199.06108	0.5
199.14917	0.5
217.07045	0.8
221.06624	2.2
235.08215	13.9
252.72191	0.5
253.09247	3.6
263.07742	1.3
269.10663	0.5
277.09119	1.0
279.23267	100.0
280.23624	7.5
287.07736	3.4
293.24738	0.6
299.15616	0.4
305.08646	3.0
323.09778	1.9
361.11520	0.6
379.12555	1.1
397.13467	75.7
398.13858	4.9
415.14563	32.2
415.18845	0.6
416.14877	2.2
551.05054	0.5
595.28851	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
56.99805	0.2
57.03448	1.1
58.00595	1.9
59.01376	45.9
60.01708	0.5
65.51687	0.2
66.91074	0.2
67.01886	0.3
67.68013	0.2
68.99801	0.3
69.03451	1.9
69.57613	0.6
69.58026	1.2
69.69230	0.2
71.01377	33.5
72.01751	0.3
72.99306	2.2
73.02940	5.9
75.00874	0.6
81.03452	1.3
83.01376	3.1
83.05038	0.3
84.02151	0.3
85.02946	8.2
85.18121	0.2
86.00098	0.6
87.00335	0.5
87.00869	9.6
89.02439	30.6
90.02753	0.3
91.04005	0.7
93.03439	0.4
95.01379	2.9
97.02945	5.7
99.00867	2.0
99.04515	0.5
101.02437	28.2
102.02801	0.6
103.00385	0.4
103.04048	0.4
107.05046	0.3
109.02964	0.7
111.00866	0.4
111.04529	1.0
112.01667	0.4
113.02442	13.5
114.02779	0.3
115.04031	0.6
119.03493	9.2
121.02892	0.6
123.00854	0.4
123.04501	0.4
124.01684	0.3
125.02436	11.4
126.02802	0.3
127.03999	0.6
131.03496	1.7
133.05035	1.1
137.02525	0.3
139.04007	1.1
141.01926	0.7
143.03493	6.0
149.02574	0.4
149.04564	1.0
150.75934	0.2
157.05037	0.4
161.04532	6.9
167.03490	0.9
169.05086	0.6
171.03003	0.4
179.05595	6.6
185.04564	0.6
196.06720	0.2
199.06007	0.7
203.05618	0.3
217.07173	1.5
219.05060	0.5
221.06635	2.8
235.08192	12.7
236.08493	0.5
244.51991	0.3
245.06596	0.9
253.09282	3.4
261.22162	0.4
263.07657	1.4
277.09299	0.7
279.23257	100.0
280.23602	7.8
287.07709	2.9
293.24850	0.5
304.08493	0.2
305.08743	4.0
306.09125	0.3
323.09723	1.4
361.11404	0.8
379.12390	1.0
397.13458	74.2
398.13785	5.1
415.14526	30.6
416.14752	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	679.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
60.99294	1.5
61.98826	3.9
65.73115	0.6
69.21727	5.5
71.01382	1.5
88.98804	8.6
89.02422	1.0
96.96001	0.7
98.20767	0.7
101.02409	1.0
101.87045	0.6
102.01294	0.7
113.02441	0.9
117.03456	0.8
119.05018	61.8
120.05354	1.7
125.02447	0.7
128.01630	0.7
146.94670	0.7
156.10033	0.6
161.13356	1.0
163.03995	100.0
164.04356	5.2
205.12343	2.5
206.12640	1.6
249.11374	1.2
250.11748	1.3
269.08142	2.4
295.92465	0.7
307.08237	0.8
309.13495	2.3
310.13757	1.7
311.14059	1.8
319.95642	0.7
325.09238	4.0
367.10269	12.9
368.10464	0.9
413.17429	0.9
431.13263	4.4
473.14337	6.4
473.19818	0.9
474.14661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	7.3
59.01374	90.0
59.68639	7.4
61.98822	41.8
67.18289	7.8
69.20802	56.4
69.21207	15.6
71.01381	69.9
72.99295	15.8
78.53460	6.8
84.41080	8.0
85.02940	11.3
88.98820	9.9
89.02431	26.8
93.03455	27.2
96.61614	7.3
96.82234	7.8
96.96022	18.1
99.00876	9.2
99.08164	41.1
101.02417	11.1
113.02437	17.5
115.00378	60.7
119.03529	8.3
119.04961	11.9
123.04530	100.0
127.07661	44.4
129.05598	35.2
133.01419	18.1
133.02936	7.9
135.04535	13.6
141.14462	8.0
149.04520	9.2
149.28400	6.5
153.05582	49.4
161.04506	23.9
163.04016	19.5
165.01889	20.1
171.06509	9.5
187.11272	10.2
205.12328	20.1
249.11223	14.1
250.11743	10.8
283.01959	7.6
285.04111	7.7
285.09729	28.7
287.10403	7.4
293.08685	8.4
311.14108	8.8
383.09497	9.7
401.10864	24.8
402.11343	9.0
457.17157	54.6
471.18420	8.4
515.13776	14.7
517.11377	12.1
533.14972	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	679.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	8.9
59.01380	54.9
61.98829	35.9
63.89279	5.4
66.66328	5.2
66.78085	6.8
71.01374	42.1
71.50320	7.3
72.99284	10.5
83.01405	6.8
84.95086	6.9
89.02442	20.7
93.03449	21.6
96.95997	7.7
99.08145	38.1
101.02460	15.4
113.02437	14.7
115.00368	46.1
119.03506	8.8
119.05041	15.1
121.02934	5.7
122.93764	5.2
123.04529	100.0
127.07645	52.2
128.34804	5.8
129.05580	31.1
135.04561	7.1
146.29256	5.3
153.05571	57.4
154.76277	5.5
161.04485	13.1
163.03993	12.6
165.01830	8.7
171.06589	13.8
174.01703	5.7
205.12309	9.8
209.64978	5.2
249.11423	6.3
283.09604	6.9
285.09686	21.0
309.13477	7.2
311.14041	7.0
327.08612	17.2
335.07928	6.6
383.09772	15.9
401.10831	7.6
457.17120	85.8
458.17294	9.4
542.73157	6.1
641.05627	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	679.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19736	0.2
52.83826	0.2
53.56296	0.2
55.01872	1.6
57.03442	1.0
58.00589	1.8
58.82014	0.2
59.01375	41.0
60.01731	0.4
61.98828	0.3
67.01898	0.2
68.99805	0.6
69.03453	2.7
71.01376	34.3
71.51099	0.3
72.01704	0.3
72.99303	2.2
73.02938	5.4
75.00874	0.6
77.91688	0.2
78.95908	0.2
79.65253	0.2
81.03449	2.1
83.01380	4.0
83.05019	0.2
85.02943	7.3
86.00095	0.4
86.03316	0.3
87.00867	9.5
87.04507	0.4
89.02438	28.5
89.39079	0.2
90.02762	0.2
91.04007	0.8
91.21412	0.2
93.03472	0.5
95.01393	2.6
95.05058	0.2
95.35680	0.2
97.02940	5.7
99.00870	2.2
99.04526	0.2
101.02435	28.1
101.08824	0.2
102.02754	0.3
103.00351	0.3
103.04017	0.5
107.01469	0.2
109.02954	0.6
111.00874	0.6
111.04492	1.3
113.02441	13.2
113.87889	0.2
114.02782	0.2
115.04024	0.7
119.03489	8.6
121.02954	0.9
123.00895	0.3
123.04490	0.5
124.01617	0.4
125.02439	11.8
125.06094	0.2
126.02780	0.2
127.04012	0.5
129.01923	0.2
131.03481	1.5
133.05057	0.9
137.02434	0.2
139.03998	1.0
141.01944	0.7
143.03487	5.8
149.04553	1.0
152.99568	0.2
161.04538	6.4
163.04015	0.2
167.03525	0.8
169.05052	0.6
171.02969	0.4
179.05603	6.0
180.05983	0.4
185.04514	0.3
199.06065	0.5
203.05588	0.4
209.04501	0.2
217.07106	1.1
219.05125	0.3
221.06610	1.9
235.08191	13.1
236.08598	0.5
245.06570	0.8
253.09251	3.2
253.80870	0.2
259.08173	0.2
263.07578	1.3
277.09344	0.9
281.24817	100.0
282.25183	7.6
287.07730	3.0
295.26355	0.7
305.08749	3.6
306.09097	0.3
323.09763	1.7
361.11420	0.5
379.12466	1.2
397.13443	75.6
398.13773	5.6
415.14526	30.2
416.14938	2.0
595.29144	0.4
679.40216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03439	1.3
59.01377	13.9
61.98824	11.4
62.14539	0.6
67.54741	0.5
69.03440	0.9
71.01377	15.1
71.50881	0.8
72.99287	1.2
73.02937	3.5
83.01387	2.5
85.02955	6.4
87.00871	2.4
89.02431	3.6
90.27541	0.7
92.07039	0.6
95.01366	0.8
96.96028	0.8
99.00866	1.3
99.08154	0.7
101.02422	9.3
111.00850	1.0
113.02449	4.3
117.39697	0.6
119.03526	1.4
121.02959	0.8
123.04537	0.7
124.01601	1.0
125.02425	1.0
130.74464	0.7
131.03459	0.8
143.03506	0.9
147.04445	1.3
161.04509	1.3
162.06870	1.3
167.14302	1.3
177.09171	0.7
179.07016	0.7
213.05498	0.9
225.05544	1.0
226.06255	0.7
241.04877	1.0
263.65619	0.6
311.25882	25.1
312.26193	2.4
327.36505	0.7
351.21735	3.1
353.22150	0.8
466.14029	2.1
479.14917	2.1
481.16492	14.1
482.17032	2.6
499.32761	2.1
517.33722	9.5
518.34161	1.5
616.49115	0.7
643.21466	1.2
679.39056	100.0
680.39386	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	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18237	0.4
54.61212	0.4
55.01865	1.2
57.03438	1.5
58.00589	0.6
59.01377	13.2
61.98824	5.1
69.03446	0.5
70.64582	0.9
70.64961	0.8
71.01379	14.9
72.99287	1.2
73.02945	4.1
83.01401	2.1
83.46320	0.4
85.02943	5.6
87.00882	2.1
88.98800	0.6
89.02441	4.8
95.01395	1.3
97.02964	1.1
99.00888	1.2
101.02435	9.3
102.02782	0.5
111.00854	0.7
113.02445	5.0
116.92853	0.6
119.03492	1.8
120.08730	0.4
124.01677	0.6
125.02423	1.4
127.07597	0.9
139.71730	0.4
143.03505	0.8
147.04518	1.1
161.04488	1.7
178.99319	0.4
190.80951	0.4
195.17500	0.5
221.06895	0.5
223.13460	0.6
226.06271	0.4
239.20250	0.6
251.98979	0.4
311.25885	29.0
312.26169	2.4
325.27106	0.5
381.72983	0.5
499.32639	2.0
517.33710	9.6
518.34186	1.1
641.15173	0.5
661.38000	0.5
679.39032	100.0
680.39429	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	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03439	1.3
58.00573	1.4
59.01378	37.0
61.92245	0.5
61.98841	4.0
68.99814	0.6
69.03442	1.1
71.01380	34.9
71.50399	0.7
72.99307	3.4
73.02950	6.3
75.00857	0.7
81.03464	1.3
83.01379	4.5
85.02962	7.4
86.00066	1.1
87.00879	7.0
89.02444	31.0
89.13038	0.6
91.04011	0.6
95.01375	3.0
97.02954	6.0
99.00844	1.7
99.04503	1.1
101.02442	26.7
103.00372	0.7
109.02950	1.0
111.04521	0.7
113.02451	12.3
115.92041	0.6
119.03486	11.1
125.02452	11.7
127.03959	0.7
131.03502	1.0
133.05000	1.2
139.03952	1.0
143.03485	5.7
149.04500	1.0
152.99638	0.7
161.04533	6.3
167.03452	0.8
179.05597	6.0
199.06038	0.7
221.06641	1.3
235.08208	13.7
241.60936	0.6
253.09305	3.1
263.07669	1.5
277.09097	0.7
277.21677	5.1
281.24844	100.0
282.25189	9.1
287.07703	3.7
305.08899	4.5
323.09747	1.4
361.11511	0.9
397.13492	80.2
398.13803	5.7
415.14548	31.7
416.14896	2.2
422.37823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23598	1.1
56.96082	1.1
59.01366	3.5
61.98822	6.7
62.02650	1.1
62.63585	1.1
69.36043	9.7
76.98737	1.2
78.95901	54.1
81.60006	1.1
95.93591	1.4
96.96944	9.3
102.54011	1.3
103.99062	1.2
121.02959	3.3
152.99577	73.5
153.99911	1.4
162.75694	1.3
165.01920	3.1
166.02328	1.4
171.00673	2.1
171.10283	1.7
201.93608	1.1
223.00204	6.1
241.01178	17.2
261.32703	1.4
279.23282	50.7
280.23489	5.6
294.08606	1.3
315.04749	8.7
445.23355	2.0
595.28845	100.0
596.29437	12.7
680.26740	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	680.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	2.7
59.01361	2.9
61.98815	1.9
69.51111	5.9
70.02973	1.4
71.01363	1.8
72.00919	4.7
73.04047	3.5
74.02471	2.1
82.02982	6.2
83.02494	1.2
84.00896	1.3
84.04575	1.1
89.02431	1.1
91.05522	2.4
91.52242	0.9
94.48322	1.0
98.19937	1.9
99.05608	3.2
101.02462	1.1
101.07196	3.1
107.02494	1.3
109.04084	7.6
111.05623	1.0
112.04020	2.0
122.02512	1.1
123.05631	1.9
124.04036	9.8
127.05137	62.2
128.03528	15.1
129.10350	10.2
130.08719	4.0
139.05121	2.2
139.08781	2.1
141.06693	8.6
141.10342	2.4
145.06160	3.8
147.04521	15.7
149.07182	1.8
150.05508	1.4
151.08763	9.9
152.07140	1.7
155.08241	6.7
164.07155	27.9
165.07561	1.5
166.06204	10.9
167.04654	4.9
167.08205	1.6
168.11362	4.6
169.09837	6.2
172.04361	7.1
177.10286	1.1
179.11826	0.9
184.07277	11.2
185.05635	3.8
185.07362	1.0
186.12489	13.8
189.06932	6.4
190.05373	3.5
197.13049	1.1
198.05885	1.4
204.08183	1.0
205.12402	1.2
210.12390	1.0
222.12462	3.0
229.09839	1.1
231.11320	3.0
233.16672	4.2
236.13976	3.3
240.08115	2.6
241.06483	6.7
247.07542	2.0
249.11241	3.4
250.11610	3.1
253.16750	1.5
256.11209	1.6
258.09259	5.3
259.14478	4.3
277.15604	6.2
279.14502	5.3
288.13370	3.2
290.18777	4.8
297.15622	1.4
298.14178	1.3
300.10159	2.2
303.13535	1.6
315.11200	2.7
318.11215	10.8
334.17688	1.6
358.10745	1.6
360.15671	1.5
376.18604	1.1
378.20306	2.6
388.18588	1.6
401.21851	2.5
427.20081	1.7
445.20847	21.9
446.21069	2.5
471.18381	2.0
489.23685	10.5
515.21533	1.8
518.20874	2.2
574.26624	1.8
576.24646	2.2
618.25934	13.9
619.26202	2.3
636.27032	57.2
637.27521	8.1
662.28467	9.5
663.29132	1.3
675.35376	1.1
680.29657	100.0
681.29773	18.8
681.40363	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	681.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12714	0.2
59.01385	1.5
61.98834	1.0
71.01381	0.5
73.02944	2.8
85.02932	0.3
87.00874	0.3
89.02440	0.3
99.00866	1.1
99.08155	0.4
99.92583	10.5
100.92600	0.5
101.02443	0.4
103.29809	0.2
113.02467	0.3
114.93396	0.4
116.92859	100.0
117.01939	6.0
117.92870	4.7
123.04518	0.8
127.07645	0.7
129.05545	0.4
139.18079	0.2
147.04520	0.7
153.05557	0.6
160.05426	0.2
161.04654	0.3
161.06018	0.2
165.59930	0.2
174.01779	0.2
174.03215	0.3
181.37561	0.2
227.07176	0.4
273.11526	0.2
283.13358	0.3
377.21780	1.0
409.19931	0.2
457.17209	1.0
663.30658	0.9
681.30084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
58.00580	3.2
59.01376	92.9
61.98827	15.8
71.01378	69.8
71.27877	1.0
72.99286	4.9
73.02948	1.9
75.00883	1.5
83.01387	2.0
85.02947	8.8
87.00864	5.0
89.02439	100.0
90.02747	1.4
95.01377	5.2
96.95988	1.7
101.02432	31.9
113.02441	27.8
115.00358	7.6
115.65897	1.1
116.92887	1.6
119.03494	38.0
119.04942	3.0
120.03812	1.3
123.04484	4.1
131.03526	6.2
143.03474	9.3
145.02916	3.1
149.04506	3.3
151.59502	1.0
153.05522	1.5
161.04546	14.1
163.03923	5.1
179.05595	45.1
218.07277	1.5
219.08180	1.2
235.07474	3.2
237.09076	1.5
247.07262	1.4
253.08653	3.7
263.04626	1.4
263.07117	8.9
264.07639	1.6
268.10983	2.3
275.07104	1.5
281.08167	18.8
282.08505	3.0
291.06473	6.6
292.07364	2.0
293.08240	5.4
294.08859	3.8
295.09418	1.7
296.10443	4.8
301.33759	1.1
307.09650	2.9
308.10526	3.5
309.07657	74.8
309.10867	2.9
310.07974	6.6
323.09192	13.4
324.09988	46.5
325.10294	4.7
327.08844	7.2
328.09055	1.4
339.12332	91.0
340.12576	11.5
383.09561	4.2
443.10162	1.5
488.05267	1.0
519.14941	1.5
681.23932	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	681.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30819	0.7
55.01867	1.9
57.03432	2.8
58.00578	2.8
59.01379	52.0
61.98829	34.9
64.95238	0.7
71.01380	39.6
71.90890	0.7
72.99300	3.2
73.02940	7.4
81.72593	0.8
83.01394	5.1
83.05022	0.9
85.02950	15.4
86.00130	1.3
87.00872	3.4
89.02442	23.2
95.01378	3.7
96.96019	5.5
99.00889	1.8
101.02440	26.6
111.00885	2.4
113.02454	15.7
115.00368	1.1
116.92873	2.8
119.03497	9.7
123.04514	2.4
127.07648	2.3
129.05557	1.1
143.03473	1.1
145.58334	0.7
153.05562	3.2
159.02956	1.5
161.04561	4.1
161.05731	0.8
171.06610	1.4
173.30927	0.8
179.05583	1.9
185.15520	1.1
189.07616	1.1
207.78606	0.7
227.16455	1.8
229.18005	1.1
241.04993	1.2
257.08188	2.8
300.82785	0.8
301.87985	0.7
357.26291	0.9
389.21774	2.8
390.22751	0.9
391.23306	2.6
403.11774	1.1
422.21143	1.0
429.24792	2.5
430.25922	0.9
439.15775	0.9
483.29764	1.0
501.30719	8.3
519.31769	13.1
681.36981	100.0
682.37256	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
56.59001	0.7
57.03437	1.8
58.00581	2.3
59.01379	48.8
61.98827	14.7
66.16891	0.7
67.40277	0.7
69.90794	0.7
70.11278	3.1
71.01379	39.1
72.99306	2.5
73.02950	5.9
83.01392	4.0
83.05022	4.5
85.02943	14.5
87.00866	4.7
88.98835	0.9
89.02437	23.5
93.00732	0.7
95.01384	3.0
99.00859	2.7
99.08160	2.6
101.01797	1.6
101.02438	23.4
101.06081	4.2
111.00916	1.9
113.02453	12.4
115.00345	1.7
119.03506	6.8
119.05004	0.7
122.64339	0.7
123.04529	6.2
127.07642	5.5
129.05545	2.6
136.93854	0.7
138.96696	0.8
139.84552	0.7
143.03435	1.8
145.05055	16.3
153.05623	3.9
161.04579	3.7
176.09119	0.9
179.05603	2.8
197.06044	2.7
201.14955	0.7
224.04770	2.4
239.07069	1.4
240.04317	5.6
241.05028	2.9
255.06602	26.5
256.07361	13.8
257.07813	1.0
271.09735	42.6
272.10129	4.8
285.09860	1.1
297.24252	1.1
320.24036	0.9
347.17352	1.0
357.26364	2.4
383.10233	0.8
413.14340	7.3
414.14758	1.0
415.13950	1.6
433.15182	1.5
457.16959	6.0
459.09924	0.8
475.16061	11.1
476.16385	2.0
484.83661	0.8
501.30908	5.2
519.31647	16.7
520.32111	1.8
681.36969	100.0
682.37427	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
56.15105	0.7
57.03442	2.9
58.00576	3.1
59.01376	61.3
61.98829	14.6
65.78725	0.9
69.03477	0.9
69.40260	4.4
69.40675	1.8
71.01378	51.5
72.01704	1.1
72.99300	5.0
73.02944	8.1
83.01377	5.6
83.05013	1.8
85.02459	1.4
85.02946	19.7
87.00856	5.1
89.02440	31.4
95.01366	4.7
97.06575	0.9
98.19920	1.9
99.00861	3.8
99.04520	3.4
101.02436	30.1
101.06091	5.9
111.00873	2.5
113.02444	15.4
115.00388	4.9
117.97269	1.8
119.03506	12.6
119.04998	2.1
123.04485	4.0
125.02435	1.7
128.63049	0.9
131.03578	1.1
143.03479	3.1
145.05072	11.2
149.04593	1.0
153.05534	1.2
159.02953	1.7
161.04527	6.2
163.04019	2.4
179.05620	5.4
229.18152	0.9
241.04933	1.0
257.08142	7.3
271.09592	1.4
298.03696	1.0
313.05246	1.3
321.24136	0.9
327.08603	1.3
357.26361	3.6
361.18628	3.7
362.19336	2.1
375.92169	0.9
383.09680	2.5
389.21884	1.1
401.11093	1.0
413.13901	5.2
419.13397	1.7
474.87268	1.0
501.18039	1.1
501.30847	5.1
519.09271	1.1
519.31738	25.4
520.31995	3.1
521.33209	1.6
651.35858	6.2
652.35809	1.0
663.35626	4.6
681.36932	100.0
682.25647	1.2
682.37286	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.7
59.01368	2.3
61.98834	3.3
70.06584	1.3
70.06995	2.0
82.70507	0.6
95.05051	4.5
98.19969	0.9
99.08160	37.9
105.03486	0.8
109.06593	1.1
112.57318	0.7
112.86107	0.7
123.04526	100.0
124.04830	3.0
127.07654	55.0
128.08031	1.5
129.05582	58.6
130.05917	1.2
138.03218	0.9
149.02281	0.6
153.05577	39.3
154.05974	1.0
171.06641	12.8
185.11890	2.2
189.07701	2.4
226.59776	0.7
241.21643	1.8
277.21661	4.7
282.19647	0.8
319.63928	0.7
332.88895	0.7
382.24673	0.7
445.23621	0.7
509.31168	2.0
663.37073	0.9
681.38641	8.1
682.38837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03425	1.2
58.00578	1.4
59.01376	40.5
61.98825	1.9
68.99813	0.6
69.03453	2.3
69.76421	0.9
69.76833	1.5
71.01378	37.0
72.99300	3.3
73.02948	5.9
75.00861	1.0
78.95880	0.6
79.22740	0.4
80.72018	0.3
81.03459	1.9
83.01391	4.3
85.02938	8.3
87.00864	8.1
89.02439	33.7
91.03999	0.8
93.03422	0.6
95.01377	2.7
97.02939	6.8
98.20612	0.4
99.00867	2.4
99.04496	0.7
101.02439	31.9
102.02746	0.5
109.02938	0.9
110.98510	0.5
111.00864	0.4
111.04500	1.1
112.01639	0.4
113.02447	15.5
114.02753	0.3
115.04002	0.8
119.03494	11.1
121.02948	0.7
124.01608	0.6
125.02430	13.1
127.04017	0.4
131.03471	1.4
133.05077	0.6
139.03993	1.0
141.01923	0.9
143.03490	6.5
149.04541	1.3
161.04547	7.4
167.01233	0.4
167.03326	0.5
169.05125	0.5
177.91190	0.4
179.05592	7.2
181.04984	0.6
185.04462	0.9
185.11794	0.7
199.06085	0.8
203.05537	0.8
210.73524	0.4
217.07141	1.1
221.06680	3.0
235.08200	15.0
236.08723	0.5
245.06653	0.7
253.09247	4.6
253.21544	0.5
263.07718	1.6
263.20126	0.8
265.25226	0.4
277.09195	1.3
277.21658	3.9
283.26392	100.0
284.26746	6.4
287.07767	3.7
297.27966	0.6
305.08728	4.9
323.09766	2.2
337.11932	0.4
361.11298	0.6
379.12479	1.5
397.13458	92.5
398.13843	6.6
415.14529	35.9
416.14673	2.2
445.23416	3.2
464.18808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17049	0.1
53.52811	0.2
60.99309	1.2
61.98826	100.0
69.27103	0.3
69.27507	1.0
71.01408	0.2
88.00379	0.2
88.98802	8.8
89.02451	0.3
98.20616	0.3
123.04500	0.7
127.07684	0.5
129.05621	0.2
144.94104	0.1
153.05620	0.7
163.03966	0.2
261.84079	0.2
285.09900	0.3
299.01392	0.2
399.87988	0.1
457.17023	0.8
527.03156	0.1
626.27936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46905	0.2
54.84547	0.3
60.99305	17.2
61.98828	17.2
69.43382	0.5
69.43791	1.5
71.01408	0.3
73.91764	0.2
75.21817	0.3
87.45971	0.3
88.98801	100.0
89.02417	0.5
89.99134	1.0
119.05031	1.7
138.61748	0.3
163.04005	3.8
220.28264	0.3
325.09265	0.7
399.75787	0.3
431.13428	0.7
584.32281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24619	0.4
59.01373	0.6
60.99304	17.3
61.98827	11.3
70.68645	0.4
71.35215	0.9
88.98801	100.0
89.02441	2.0
89.99114	0.6
111.23372	0.4
119.03535	0.4
129.72011	0.5
163.03998	0.9
241.05501	0.4
392.76474	0.4
431.13461	0.7
584.51410	0.5
618.53528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	12.5
61.98814	14.5
66.27014	2.8
71.01373	6.9
75.04165	3.0
87.44690	3.2
93.03432	25.5
96.99316	6.2
108.02168	11.3
115.00375	4.3
119.03542	3.4
119.05021	19.3
123.04491	5.0
131.05052	3.3
133.01398	3.9
133.02953	5.1
143.05023	15.2
145.02916	5.0
152.01140	8.1
153.01909	4.7
153.05598	6.4
156.60255	3.2
163.03954	10.7
171.04570	3.6
235.07658	3.6
237.09105	6.2
251.04916	4.6
258.03589	4.8
265.08633	18.9
309.07715	5.3
315.07007	3.4
327.08698	100.0
328.08939	9.9
354.86853	3.6
376.92731	3.3
451.71054	3.4
497.71063	3.2
526.31989	3.8
683.18243	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	683.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	5.2
59.01377	100.0
60.01721	1.9
60.99315	1.4
61.98820	3.0
64.28212	1.4
67.77871	1.8
71.01376	68.3
71.50567	2.9
72.99305	4.6
73.02956	3.0
81.03420	1.5
83.01388	2.3
85.02963	9.9
87.00874	5.4
88.98792	8.9
89.02441	85.5
89.26505	1.2
90.02754	1.6
95.01381	3.3
96.95947	1.8
101.02437	41.7
102.36007	1.4
108.02177	4.6
109.02930	2.6
113.02444	30.1
114.93369	1.6
115.00381	3.0
119.03499	38.5
121.02945	2.6
123.04493	2.7
128.03503	1.5
131.03496	6.0
142.50293	1.8
143.03494	9.6
145.02980	1.8
149.04558	5.0
152.01157	4.7
159.04474	2.4
160.05286	5.9
161.04555	12.8
172.05338	3.0
173.06018	2.3
175.07631	3.6
179.05605	44.2
179.07036	2.8
180.05913	2.5
184.78654	1.5
189.05519	7.6
190.02783	2.3
190.06340	6.1
205.08661	5.1
255.19104	1.5
268.64236	1.4
281.08020	1.6
283.02658	1.8
283.06006	2.9
296.10559	4.3
299.05344	1.7
311.12888	5.2
313.03558	3.8
314.03909	4.9
315.04303	3.3
316.05450	1.8
317.05780	1.6
329.13803	2.8
341.13861	21.1
342.14319	2.0
359.15158	1.9
368.26492	1.5
421.21182	1.7
461.09900	2.8
461.15125	3.3
478.09845	2.1
479.11316	2.4
521.12939	8.0
521.20154	63.4
522.20526	5.6
683.17877	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	683.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35538	0.6
55.01888	3.2
57.03437	2.6
58.00579	2.5
58.55035	0.5
59.01378	50.0
61.98542	0.8
61.98833	11.5
69.03424	0.8
69.20026	5.9
71.01378	35.2
72.99300	2.9
73.02949	5.0
83.01388	4.1
85.02952	13.7
87.00856	3.0
88.98794	2.6
89.02441	22.9
95.01409	3.3
99.00857	2.2
99.08135	3.8
101.02440	24.2
111.00883	1.5
113.02444	13.0
115.00352	1.5
119.02689	0.7
119.03499	10.0
119.04932	0.7
123.04495	2.7
124.04845	0.9
125.02432	1.6
125.68707	0.5
127.07688	4.4
129.01947	0.8
129.05576	5.3
131.03549	1.0
133.01405	1.0
143.03447	1.3
145.02913	0.7
145.05042	1.2
150.03154	1.0
153.05556	3.5
154.05844	0.7
157.12308	1.2
159.02998	1.1
161.04556	4.1
162.76938	0.6
163.67854	0.7
165.05540	1.9
167.03494	0.7
171.06581	1.0
179.05582	1.7
183.13910	1.3
190.26572	0.6
195.06601	1.0
209.61842	0.6
223.13303	0.9
267.12427	1.1
301.10852	2.2
311.11334	2.5
335.17090	1.3
345.09579	0.9
349.12799	3.5
359.27966	1.9
382.21277	0.6
415.19595	1.5
458.17578	2.5
503.32327	3.1
521.33191	13.9
522.33710	1.6
535.21924	1.1
627.21869	0.7
683.38507	100.0
684.38782	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	683.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
59.01379	5.8
61.36144	0.7
61.98830	3.1
67.99440	0.6
69.03427	1.0
71.01384	4.6
71.51009	1.1
78.95907	0.9
85.02956	0.9
89.02428	4.2
95.05021	1.7
97.06586	14.1
101.02419	3.9
112.06506	0.7
113.02417	2.1
119.03500	1.0
121.20500	0.7
123.08157	6.5
125.09718	87.3
126.10096	3.6
169.08688	1.9
179.05562	1.5
180.61182	0.7
187.09744	66.1
188.10092	3.0
197.06241	0.7
211.09801	0.8
253.09206	2.2
255.23273	0.9
261.13254	1.4
277.21716	14.5
277.24597	0.6
278.21948	0.9
312.10950	0.7
331.16183	0.7
405.17630	5.7
423.18680	19.5
424.19034	1.7
598.31628	0.8
683.40070	100.0
684.40393	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	683.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64034	1.0
57.03440	4.4
58.48204	0.8
59.01370	4.9
61.98824	11.0
62.31941	0.8
65.61709	1.0
69.03423	1.3
70.36487	2.9
71.01373	4.5
73.02951	1.0
78.95924	1.6
85.02943	1.1
87.00869	2.1
89.02410	2.3
93.66122	1.0
95.05014	2.6
97.06582	18.6
101.02436	3.4
110.98439	1.5
113.02460	2.4
113.36053	0.9
123.08157	8.3
125.09711	100.0
126.10028	2.4
145.05080	1.1
161.04527	2.1
169.08711	1.7
187.09741	40.0
235.08167	4.1
253.09256	3.8
255.23270	4.2
277.21683	57.4
278.21994	5.5
279.23203	2.0
329.56485	1.0
393.73224	1.2
405.17822	4.7
423.18665	7.0
427.83624	1.0
447.24936	2.3
521.34363	1.1
683.39972	94.0
684.40320	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	685.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33390	0.9
59.01380	47.5
59.36303	0.9
61.13904	0.9
61.98500	1.1
61.98829	38.0
71.01381	68.6
71.05004	1.1
71.50362	1.0
72.01699	1.3
72.99310	15.9
73.02941	2.6
85.02962	2.9
87.00896	1.4
89.02459	4.8
93.03452	3.7
93.30743	0.8
95.01395	1.6
95.05023	2.2
96.99316	2.7
99.00893	0.9
99.08157	1.4
101.02444	7.4
113.02436	5.2
115.00368	78.2
116.00677	1.3
119.03487	1.7
121.02946	1.2
123.04517	93.8
124.04845	3.2
127.07648	2.8
128.88185	0.9
133.01424	19.7
149.02440	1.5
149.06035	3.6
153.05591	4.2
161.04576	8.4
161.05811	1.7
171.06609	1.3
179.05583	1.5
182.07327	5.7
187.23421	1.0
193.05040	1.1
195.08054	1.5
196.08749	1.0
197.09702	43.3
198.09973	2.1
203.05377	0.9
206.36505	1.0
211.11282	4.6
212.12006	1.2
213.12814	1.2
227.10727	2.2
245.11726	1.7
257.11844	2.2
277.05621	2.0
285.09778	19.6
301.10791	66.3
302.11099	4.9
356.20636	1.7
357.20969	1.6
383.09784	51.2
384.10107	4.0
384.15222	1.1
401.10849	100.0
402.11142	7.7
417.21271	22.5
418.21716	1.1
439.15726	1.0
593.59613	1.0
685.39618	3.1
686.37299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20640	1.1
55.61999	1.4
58.08121	1.2
59.01379	50.0
61.98829	45.8
65.37837	1.1
69.44755	2.4
69.45153	6.3
71.01383	77.7
71.05000	1.3
72.99306	15.0
73.02927	3.5
83.01389	1.5
85.02959	3.2
87.00869	2.4
89.02422	5.5
89.79548	1.4
93.03479	4.1
95.01437	1.3
95.05003	1.6
96.99298	6.1
98.19891	1.5
101.02435	10.1
113.02433	3.6
115.00368	85.3
119.03480	2.0
121.02934	1.6
123.04524	100.0
124.04829	4.0
127.07646	2.6
133.01443	21.9
149.06033	4.6
153.05519	4.2
161.04547	9.7
182.07298	5.6
197.09711	42.3
198.09993	3.0
211.11221	6.7
245.11694	1.8
252.62703	1.3
257.12015	3.0
277.05569	1.8
285.04034	1.4
285.09766	15.4
286.10260	1.5
301.10788	71.0
302.11050	4.6
333.01770	1.4
335.63492	1.6
356.20734	1.8
364.66675	1.4
373.18570	2.1
383.09787	49.7
384.10324	4.1
384.81729	1.6
401.10864	98.7
402.11285	7.1
417.21191	20.0
623.13556	2.0
684.38202	1.8
685.39270	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	685.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50439	0.9
78.95895	1.1
93.03422	0.6
106.04234	0.6
107.05023	2.7
117.03503	0.6
123.04522	0.5
133.02950	2.6
134.03729	9.7
135.04524	78.5
136.04852	2.2
137.02451	1.6
160.84613	0.5
161.02463	0.5
176.40160	0.5
178.02649	1.4
179.03493	100.0
180.03893	3.5
202.60495	0.5
211.13406	0.9
211.97302	0.5
255.23306	2.2
277.21774	0.8
279.23248	1.5
281.24753	2.1
285.07651	7.3
429.11786	1.5
447.12726	2.5
449.26904	1.5
457.09164	0.5
521.25885	0.6
660.98645	0.6
685.35889	26.5
686.36230	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	686.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13821	0.1
61.98827	100.0
86.67878	0.1
102.79025	0.1
121.27704	0.1
134.03755	0.2
153.27594	0.1
180.67732	0.1
182.48198	0.1
193.05121	0.5
461.14603	0.4
587.87616	0.1
677.50879	0.1
686.26099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56581	0.1
61.98827	100.0
62.98533	0.2
71.01392	0.2
78.29302	0.2
98.20754	0.3
99.74078	0.1
101.73096	0.1
108.68319	0.1
123.04520	0.1
131.59337	0.2
158.78899	0.1
208.69704	0.2
328.10934	0.2
502.76791	0.2
539.98560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.16860	0.1
61.98827	100.0
62.98542	0.1
71.01376	0.2
89.02450	0.1
98.19903	0.2
101.02472	0.1
105.72942	0.1
106.40530	0.1
113.02441	0.2
143.16658	0.1
151.56898	0.1
178.40167	0.1
190.65434	0.1
253.57513	0.1
311.11285	0.1
510.92999	0.1
685.39337	0.2
686.40118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.99585	0.2
69.60929	0.4
69.61345	1.0
71.14816	0.2
98.55102	0.3
99.42132	0.2
181.72879	0.3
191.02446	0.2
235.33043	0.2
279.23331	0.3
281.24973	0.3
433.76871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98831	100.0
70.36150	0.4
70.36538	0.3
71.01392	0.4
78.95902	0.4
82.95393	0.2
89.02461	0.3
100.45383	0.2
102.45705	0.2
103.40947	0.2
125.02460	0.2
158.20090	0.2
175.55579	0.2
190.93399	0.2
220.72903	0.2
229.41669	0.2
236.04691	0.2
241.21664	0.3
255.23166	0.4
277.21747	0.3
279.23358	0.5
280.23782	0.4
282.25089	0.3
390.27188	0.2
397.13550	0.8
398.14139	0.2
460.38214	0.2
465.27502	0.2
565.89874	0.2
577.41858	0.2
626.35345	0.2
687.34290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20905	0.2
59.01376	4.4
61.98828	100.0
71.01380	2.0
71.50137	0.2
73.02958	0.4
83.01380	0.3
85.02954	0.7
88.98773	0.3
89.02430	1.0
95.01395	0.2
99.08157	0.3
101.02433	1.0
103.00405	0.2
106.06683	0.2
113.02449	1.4
115.00401	0.3
116.92854	0.2
119.03521	0.5
123.04546	0.6
125.02473	0.2
127.07648	10.3
129.05580	0.3
145.02885	0.2
147.04497	0.5
153.05579	0.5
161.04546	0.6
161.13377	0.3
171.06618	12.8
172.24178	0.2
179.05566	0.2
187.11305	0.5
193.05098	0.2
205.12325	0.9
229.12460	0.3
247.13463	0.3
249.11276	0.3
274.06430	0.2
283.02377	0.2
305.92236	0.2
309.13486	0.7
316.13467	0.2
411.16681	0.4
418.21991	0.3
439.16110	0.2
471.18805	0.5
539.25018	0.2
583.23633	0.2
601.25226	0.7
627.33746	0.3
642.51526	0.2
643.26013	3.9
643.36426	0.2
645.35712	0.2
686.40369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63870	0.9
59.01379	30.8
59.99420	0.7
61.98829	51.2
68.82455	0.7
69.23071	7.9
69.81498	0.8
71.01388	10.2
72.99308	0.9
73.02936	1.3
83.01385	1.6
83.05050	0.8
85.02950	2.1
87.00837	1.2
87.54074	0.7
87.78017	0.7
88.34617	0.7
89.02431	3.5
91.86694	0.7
95.07658	0.8
97.51014	0.7
99.08173	1.1
101.02441	7.3
103.00406	1.2
107.05011	0.9
112.43597	0.9
113.02432	3.2
119.03478	1.7
119.05008	1.1
121.02960	4.3
121.26614	0.9
123.04514	0.8
125.02486	0.9
127.07650	82.7
128.07993	2.1
129.05556	1.4
135.04510	1.6
138.03120	0.9
145.08699	1.4
147.04465	1.9
148.08913	0.9
153.05574	5.2
155.85272	0.8
161.04544	1.0
161.06039	1.2
161.13274	1.1
165.05573	1.0
171.06624	100.0
172.06967	2.9
181.04961	0.9
185.13321	1.2
187.11284	5.8
189.07671	0.8
203.14395	2.4
205.12314	9.2
209.11847	0.8
215.16464	7.9
219.13954	1.3
223.13345	2.1
229.12277	2.4
247.13423	4.4
249.11308	4.2
282.65576	0.8
291.12119	1.1
307.15393	0.9
309.13330	6.4
351.14523	1.4
357.06030	3.1
359.20773	3.8
377.21802	25.4
378.21933	1.9
381.15161	1.2
411.16599	8.3
419.22885	17.4
430.19000	0.9
439.15961	2.2
440.29785	0.9
471.18619	7.4
495.25970	1.2
539.25043	1.9
583.24353	1.7
601.24402	4.4
643.26019	32.0
644.26410	3.9
651.39612	3.6
687.21094	1.8
687.39764	1.9
688.22345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02301	0.2
55.01876	0.3
57.03439	0.6
58.00605	0.5
59.01384	15.9
60.82735	0.3
61.98835	4.3
65.09615	0.3
69.03462	0.5
71.01383	11.8
71.05019	0.4
71.50923	0.3
72.99312	0.8
73.02946	3.2
81.03467	0.4
83.01388	2.0
85.02952	3.8
87.00871	3.0
89.02437	2.0
95.01400	0.8
97.02969	0.6
99.00896	0.9
99.08175	0.3
101.02438	4.4
111.00893	0.8
112.01664	0.3
113.02459	2.9
119.03534	0.6
123.00846	0.4
123.04518	0.7
124.01678	0.7
125.02456	1.6
127.07658	0.8
129.12369	0.3
130.21649	0.3
143.03516	0.5
153.05585	0.4
161.04485	0.4
167.14445	0.5
169.15941	0.4
171.06616	0.5
194.74039	0.3
197.15460	2.1
211.13545	0.3
213.15079	0.3
215.16518	25.9
216.16884	1.3
227.16533	0.7
229.14476	0.6
229.18121	1.0
232.35732	0.3
257.17593	1.0
290.61469	0.3
316.93402	0.3
359.20752	16.0
360.21109	1.7
366.87292	0.3
377.21799	65.5
378.22101	5.2
401.85226	0.3
419.22855	100.0
420.23239	9.8
440.30219	0.8
471.17990	0.3
506.76193	0.3
627.34442	0.5
645.35315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98830	5.0
65.00336	0.8
71.50334	0.8
107.01386	1.1
109.02947	0.8
115.00357	0.6
116.66477	0.5
127.21500	0.5
151.00356	4.5
175.00356	0.9
178.99860	0.9
199.03967	1.4
201.01996	0.5
215.03445	0.7
226.02687	0.6
227.03448	1.8
243.03020	2.8
255.03006	1.4
271.02454	39.5
272.02725	2.5
299.01944	75.9
300.02560	14.4
301.03506	38.2
302.03903	2.2
313.03622	0.9
342.03848	0.8
343.04578	1.4
403.52432	0.6
462.08011	20.1
462.14603	1.1
463.08755	17.4
464.09067	1.5
625.14056	100.0
626.14435	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	688.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99707	0.4
58.43461	0.4
59.01377	1.1
61.48022	0.4
61.98825	6.1
63.02413	0.5
65.00344	0.6
71.01379	0.8
83.01390	0.6
87.00864	0.4
93.03471	0.4
95.60990	0.3
98.20654	1.2
107.01397	0.8
107.67143	0.4
109.02974	0.6
115.00365	0.7
117.75350	0.4
121.02951	0.8
129.77271	0.4
133.87291	0.4
149.02449	0.5
151.00368	5.0
163.03952	0.6
171.04506	0.5
175.00357	0.9
178.99837	1.1
193.01367	0.5
199.03963	1.7
203.03613	0.6
211.03955	0.5
215.03477	0.8
226.02654	0.7
227.03456	1.6
229.61998	0.4
241.11905	0.4
243.03041	2.4
254.02126	0.5
255.02974	1.6
271.02454	39.3
272.02823	2.7
285.04016	0.5
299.01941	80.6
300.02539	13.8
301.03500	36.3
301.08496	0.5
302.03949	2.2
313.03482	0.8
315.05008	0.6
343.04535	1.1
350.21585	0.5
462.08014	18.6
463.08722	17.3
464.08997	1.8
578.93579	0.4
625.14038	100.0
626.14410	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	688.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98828	100.0
62.98516	0.2
68.99539	0.2
71.01412	0.2
71.50538	0.3
78.95915	0.3
79.95695	0.2
80.96530	0.5
88.10093	0.1
88.88017	0.1
112.98602	0.2
121.49011	0.2
165.05550	1.0
168.04921	0.2
300.13596	0.2
331.96634	0.2
343.06314	0.2
400.14462	0.2
440.29596	0.2
515.95996	0.2
519.67438	0.2
526.15247	0.2
625.14618	0.2
688.31812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76000	0.8
59.01376	100.0
70.70113	2.6
71.01382	5.7
73.02935	3.6
83.01362	1.1
85.02918	1.8
86.37095	0.8
89.02436	1.4
101.02425	5.5
106.56377	0.9
113.02431	2.8
115.00372	2.3
119.03515	1.1
123.04461	1.5
126.17234	0.9
132.95314	1.0
152.91855	1.0
153.05557	2.0
161.04518	2.3
163.03864	1.0
269.10239	4.7
311.11273	3.1
356.16827	1.0
398.39969	1.0
499.50528	1.0
596.64166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66782	0.5
52.58422	0.5
55.01861	0.9
57.03437	1.0
58.00590	0.8
59.01376	34.1
61.98828	7.7
69.03471	1.2
71.01379	19.5
71.05009	1.1
72.99300	1.3
73.02944	3.9
81.03427	0.6
83.01387	2.1
83.05022	2.8
85.02941	4.6
87.00862	3.9
89.02438	16.1
89.64205	0.5
95.01400	1.6
95.05016	0.8
97.02948	2.6
97.06585	1.0
98.20695	0.9
99.00866	1.2
99.04486	0.8
101.02438	15.9
109.06590	0.7
111.00849	0.9
111.04508	1.5
111.08157	7.5
113.02445	8.9
115.04066	0.6
119.03501	5.0
121.02934	0.8
123.04528	1.2
125.02423	5.4
127.03997	3.4
129.05582	1.8
131.03522	1.4
137.09720	0.8
143.03505	2.8
147.04440	0.7
148.43118	0.5
161.04538	3.2
165.05505	0.7
167.10773	2.3
177.12860	1.4
179.05562	3.3
179.10748	1.6
195.13881	5.6
209.11908	0.9
221.06705	0.8
226.06339	1.3
227.06593	0.6
235.08272	5.4
241.08662	1.7
247.20587	3.1
253.09279	1.4
263.07608	0.8
273.18582	2.1
286.56100	0.5
287.07687	0.6
291.19647	100.0
292.19949	9.0
304.56851	0.6
305.08688	1.0
361.11746	0.7
397.13480	38.5
398.13943	2.8
415.14557	24.3
416.15128	0.9
527.15228	3.4
585.39642	3.8
586.40656	0.6
611.38074	5.7
651.39795	1.5
671.40656	1.2
689.21167	4.3
689.34100	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57779	0.2
55.01865	0.6
57.03427	0.8
58.00565	1.0
59.01381	21.2
61.98829	6.9
69.03472	1.2
71.01382	19.0
71.24442	0.2
72.99306	1.6
73.02948	3.2
75.00874	0.4
79.03396	0.2
81.03447	0.9
83.01384	2.1
85.02953	4.1
87.00874	4.4
87.04543	0.3
89.02446	17.6
91.04027	0.4
95.01391	1.4
95.05003	0.4
96.96011	0.4
97.02949	3.0
99.00873	0.8
99.92539	0.4
101.02444	15.4
109.02944	0.3
111.00850	0.4
111.04508	0.7
112.30727	0.2
113.02455	6.6
115.03960	0.5
115.92142	0.4
116.92838	1.3
119.02666	0.4
119.03506	5.7
121.02989	0.3
123.04489	0.4
124.01617	0.3
125.02458	5.8
125.06076	0.3
127.03974	0.4
127.07671	0.6
129.01884	0.3
131.03490	0.9
133.05064	0.5
135.86128	0.2
139.04004	0.4
143.03503	2.9
148.08934	0.7
149.04547	0.6
149.09624	0.3
150.10457	0.9
151.11295	0.5
161.04555	3.2
163.04012	0.4
163.11340	0.5
165.12852	18.2
166.13156	0.9
167.03494	0.3
169.05055	0.5
171.06682	0.4
175.11270	0.5
176.12054	0.6
177.12827	0.5
179.05612	3.5
179.14310	0.2
185.04536	0.5
191.14375	0.4
199.06277	0.3
209.11929	0.4
217.07228	0.4
217.15955	0.3
221.06638	0.7
235.08228	6.1
247.20639	10.2
248.20897	0.8
253.09262	1.6
263.07730	0.7
273.18585	5.1
274.18918	0.5
277.09119	0.3
287.07669	1.7
291.19647	100.0
292.19955	8.1
305.08807	1.6
323.09930	0.8
333.20712	0.3
361.11349	0.5
379.12631	0.5
397.13495	35.8
398.13821	2.6
415.14560	25.3
416.14828	2.3
629.35370	0.4
647.36450	0.5
653.40521	0.6
689.37524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27380	0.7
55.01887	1.2
57.03441	1.8
58.00574	1.6
59.01378	39.4
59.59483	0.8
61.98830	11.5
69.03436	1.6
70.64478	1.7
70.64851	1.6
71.01378	30.8
71.05022	1.7
72.99290	2.4
73.02940	4.5
75.00867	1.4
77.01101	0.8
81.03445	1.5
83.01363	2.9
83.05005	1.5
85.02934	6.3
87.00871	7.1
89.02440	27.6
95.01405	2.2
97.02944	4.9
99.00839	1.4
101.02441	22.4
109.06592	1.7
111.04527	1.0
113.02446	12.1
116.92849	1.0
119.03502	9.0
125.02424	8.6
127.07662	1.3
129.05528	0.9
142.38596	0.8
143.03447	3.8
147.04492	1.2
149.04456	1.6
153.05569	1.3
161.04552	5.0
163.11224	1.2
165.12827	1.2
171.10316	1.0
179.05608	5.8
183.13866	3.8
197.11743	0.7
199.09773	1.7
206.46483	0.8
207.10201	3.8
209.15469	1.3
211.13326	2.3
218.07741	0.8
221.06604	1.3
225.11319	2.1
227.12907	4.0
231.21130	2.0
235.08191	9.2
235.17021	37.5
236.17302	3.2
253.09311	3.4
275.20126	45.9
276.20587	4.1
277.09308	1.3
287.07748	2.6
293.21207	100.0
294.21530	7.8
305.08804	2.6
323.09833	1.6
364.69781	0.9
397.13474	64.6
398.13989	4.7
415.14545	39.0
416.14807	3.4
435.18735	1.6
461.20041	1.0
529.15454	1.0
631.36578	1.1
649.38318	1.3
691.37976	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	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03439	0.9
58.00586	0.9
59.01379	18.7
61.98808	0.6
68.63039	0.3
69.03446	0.8
71.01380	12.9
72.99292	0.9
73.02937	2.7
81.03448	0.5
83.01379	1.0
85.02951	2.8
87.00883	3.2
89.02443	11.9
89.10381	0.3
95.01392	0.9
97.02940	2.3
99.00888	0.8
101.02439	9.4
111.00913	0.3
111.08122	0.4
113.02448	5.1
119.03487	3.1
121.02818	0.3
122.99248	0.4
125.02425	3.2
131.03519	0.6
136.91563	0.3
143.03513	1.6
161.04564	1.9
167.10788	0.4
179.05579	2.9
179.14404	1.1
185.04605	0.5
195.13882	8.0
196.14497	1.4
205.12250	0.5
211.13455	0.6
221.06792	0.5
223.13394	5.9
224.13652	0.6
228.13489	0.6
235.08237	2.4
253.09229	1.1
256.13058	0.9
263.07648	0.5
265.21844	0.4
275.20102	4.0
276.20258	0.4
287.07599	0.8
293.21210	100.0
294.21564	10.3
305.08844	1.0
323.09790	0.5
397.13470	20.8
398.13724	1.2
415.14548	24.9
416.14618	1.8
458.71033	0.3
574.43268	0.3
654.26770	0.5
691.36121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13520	0.4
51.21124	0.4
51.90481	0.4
55.01863	1.0
57.03441	0.8
58.00570	1.7
59.01378	39.1
60.01699	0.6
60.69699	0.4
61.98829	3.5
63.99546	0.4
68.99798	0.5
69.03450	1.7
71.01379	34.7
71.50545	0.8
71.89490	0.4
72.99298	2.8
73.02560	0.5
73.02943	6.7
75.00870	0.8
78.95906	0.5
80.33854	0.4
81.03435	1.8
83.01379	3.4
85.02950	7.0
87.00880	8.2
89.02443	29.3
91.03999	0.5
94.56763	0.5
95.01394	2.2
97.02943	6.0
99.00877	2.0
101.02438	26.3
102.02782	0.7
109.02937	0.5
111.00880	0.6
111.04511	1.4
113.02447	12.4
115.04047	0.9
119.03490	9.8
120.03868	0.4
121.02943	1.0
124.01657	0.5
125.01546	0.6
125.02445	11.2
126.02789	0.8
127.04002	0.5
131.03493	1.3
133.05040	1.4
137.02426	0.5
139.03993	1.0
143.03505	5.9
149.04477	0.9
161.04547	6.5
163.03906	0.6
167.03432	0.8
179.04376	0.5
179.05620	5.4
185.04549	0.5
199.06035	0.7
217.07126	1.1
221.06650	2.7
235.08229	13.3
245.06618	1.0
253.09305	3.2
263.07657	1.1
277.09085	0.6
287.07825	2.5
293.24847	100.0
294.25125	8.2
298.91769	0.4
305.08768	3.6
307.26563	0.5
323.09766	1.5
343.10495	0.5
379.12140	0.7
397.13480	78.2
398.13861	4.8
415.14545	33.5
416.14807	2.7
472.59485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27241	0.1
55.51224	0.1
59.01379	0.6
61.98827	100.0
62.98542	0.2
71.01381	0.1
89.02415	0.1
92.21786	0.1
99.08086	0.1
101.02452	0.1
112.93015	0.1
113.42644	0.1
127.07668	0.2
127.56370	0.1
129.05630	0.2
144.36150	0.1
152.15126	0.1
153.05553	0.3
361.18829	0.3
656.95361	0.1
716.44440	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	692.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00793	0.2
59.01377	0.6
61.98827	100.0
71.01421	0.3
71.50390	0.2
89.29135	0.2
93.53523	0.2
101.02453	0.2
123.04586	0.3
127.07655	0.3
146.13783	0.2
153.05592	0.7
177.05544	0.3
199.20328	0.2
279.17209	0.2
456.96353	0.2
492.58215	0.2
497.36792	0.2
692.37671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
61.98825	28.3
65.17004	1.2
66.92503	1.2
68.48396	1.1
69.20383	6.4
69.20810	4.7
71.01389	6.6
72.40807	1.1
75.00900	1.4
82.56561	1.1
85.02959	1.5
88.98808	9.7
89.02437	1.5
93.03447	2.9
98.53709	1.0
101.02413	3.2
108.02140	1.7
113.02445	2.7
113.06083	32.5
115.00354	4.7
117.03433	4.7
119.03636	1.3
119.05006	25.2
121.02937	4.3
122.03708	1.8
123.04535	5.6
127.07605	1.9
133.02927	2.8
134.03728	49.1
135.04089	1.9
137.02429	2.6
141.08421	1.3
149.02426	8.2
149.06091	7.9
150.03215	19.3
153.05562	2.4
157.05045	18.8
158.05264	1.3
161.04520	1.8
163.03995	42.1
164.04620	1.7
165.05548	26.0
166.05956	1.5
178.02693	7.8
180.04317	2.8
191.36603	1.2
193.05035	100.0
194.05391	4.8
195.06609	16.7
203.07129	1.3
205.06531	1.2
225.14922	1.6
239.07028	2.0
242.05734	1.9
250.06303	2.5
257.08154	1.5
282.08963	8.9
307.11752	1.2
315.07156	1.3
325.09036	1.9
341.10260	26.1
342.10703	2.7
355.10318	3.6
367.10538	2.2
371.11218	2.1
383.09476	1.2
389.12384	69.0
390.12708	7.4
392.97266	1.2
425.14502	28.9
426.14615	4.1
461.14508	17.0
462.14734	2.2
466.40512	1.2
473.14108	1.9
523.99042	1.3
549.21838	2.2
587.78381	1.3
638.59937	1.1
657.21667	11.0
658.21423	2.2
693.24091	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	693.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.0
59.01377	88.2
61.98810	3.3
67.25038	1.6
69.43643	13.4
70.95339	1.9
71.01378	58.9
72.92905	1.9
72.99293	3.5
83.01367	2.6
85.02950	6.3
87.00867	2.2
89.02440	79.9
92.02357	1.8
95.01375	2.1
96.96016	4.6
99.08150	5.8
101.02433	33.8
111.00873	2.1
113.02436	22.8
119.03498	36.5
119.04963	3.0
127.07648	29.1
129.05562	26.3
131.03470	5.1
133.02936	6.0
135.04500	4.3
143.03467	6.6
147.29564	1.8
153.05531	15.7
161.02452	23.3
161.04510	9.4
163.03999	3.7
165.05527	4.2
171.06578	6.3
179.03481	4.2
179.05600	100.0
180.05913	2.4
189.07658	3.6
270.89450	2.2
291.10754	3.6
341.08722	13.7
351.12906	72.0
352.13007	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	693.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03441	0.9
58.00598	0.7
59.01378	15.6
61.98831	2.0
64.88285	0.2
69.03448	0.6
70.97999	0.4
71.01379	12.3
72.99300	0.9
73.02944	2.0
75.00867	0.3
77.35234	0.2
81.03446	0.5
83.01373	1.1
83.05025	0.3
85.02943	2.8
87.00884	2.2
89.02442	9.9
91.04024	0.2
95.01379	1.0
97.02930	1.4
99.00904	0.6
101.02435	8.4
109.06579	0.3
111.00880	0.4
113.02449	4.3
113.09718	1.5
115.04054	0.4
119.03506	2.5
119.05042	0.3
121.02952	0.3
123.04533	0.3
125.02461	2.7
131.03520	0.5
143.03484	1.5
147.04466	1.1
149.04529	0.5
161.04556	2.1
171.10245	0.3
177.12856	0.4
179.05632	2.6
179.14412	0.8
181.12274	0.4
195.13902	12.4
196.05295	1.1
196.14215	0.6
207.10326	0.4
211.13412	0.8
215.20651	0.2
221.06616	0.7
224.04907	1.5
225.05370	0.3
235.08232	2.7
239.07130	3.3
240.07813	1.2
246.83846	0.2
253.09232	1.2
263.07642	0.6
268.07480	0.5
277.21719	10.9
277.24796	0.6
278.21988	1.0
283.09879	1.4
287.07596	0.7
293.21109	0.4
295.22760	100.0
296.23114	9.0
305.08694	0.6
315.20642	0.3
323.09714	0.4
397.13470	18.8
398.13699	1.7
401.13937	0.3
415.14542	19.4
416.14923	1.3
419.14911	0.4
457.08191	0.3
495.17645	0.3
651.39886	0.5
693.37994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03442	1.2
58.00579	2.1
59.01376	39.0
61.98815	1.5
69.03449	1.7
70.23570	0.6
71.01379	32.5
71.50611	0.6
71.50962	0.8
72.99304	2.4
73.02945	6.7
75.00869	1.4
81.03443	1.2
83.01380	4.3
85.02945	6.6
87.00875	8.6
89.02438	27.0
93.03439	0.7
95.01366	2.5
97.02931	4.5
99.00864	3.0
101.02437	26.7
101.03111	1.4
111.04484	0.8
113.02441	13.4
115.04002	1.2
119.03497	10.6
125.02438	12.0
131.03479	1.1
133.05037	2.0
139.03995	1.1
141.01962	0.7
143.03467	5.2
149.04532	1.0
161.04530	6.6
171.44012	0.8
178.94572	0.6
179.05560	5.8
197.11749	1.4
221.06654	2.5
235.08203	11.6
253.09172	3.4
263.07758	1.4
277.09235	0.9
277.21768	2.4
287.07684	2.3
295.26382	100.0
296.26733	8.4
305.08670	3.2
323.09756	1.4
379.12244	1.1
397.13474	73.4
398.13925	6.0
415.14539	27.8
416.14890	1.9
490.40393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88540	0.1
50.99296	0.1
59.01375	0.9
61.98827	100.0
62.98526	0.2
70.02978	0.1
70.81979	0.3
71.01380	0.4
73.02953	0.2
83.01392	0.2
85.02950	0.2
86.98386	0.1
87.00936	0.1
87.95031	0.1
89.02417	0.3
99.08138	0.1
101.02431	0.4
107.05046	0.1
112.98514	0.1
113.02441	0.2
115.00339	0.1
116.92875	0.3
123.04561	0.3
127.07674	0.3
129.05602	0.2
147.04605	0.2
153.05536	0.6
161.04555	0.2
163.03966	0.1
171.06685	0.2
193.05124	0.2
193.32394	0.1
194.52689	0.1
210.19221	0.1
241.08754	0.3
292.52582	0.1
306.46671	0.1
327.25421	0.2
351.21649	0.2
357.10046	0.2
375.75400	0.1
604.41119	0.1
694.40723	0.2
695.39526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38152	0.4
51.72035	0.4
59.01378	1.6
61.98826	100.0
69.49260	3.0
78.95862	0.4
82.48040	0.4
98.20660	0.9
99.08164	0.7
105.73909	0.4
119.05054	1.2
123.04491	2.2
127.07650	1.3
129.05498	0.6
153.05544	0.9
159.34206	0.4
163.04002	4.4
171.06596	0.5
277.97931	0.4
377.23019	0.4
407.69644	0.5
428.54568	0.5
625.30939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1462
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.11130	1.1
54.12391	1.4
54.28702	1.4
59.01374	15.2
71.01378	8.5
71.49999	1.7
73.02950	1.8
79.49377	1.1
85.02971	2.2
89.02454	6.5
89.98026	1.2
93.03485	2.1
94.81250	1.2
95.01392	1.7
96.96011	4.2
99.00888	1.3
101.02450	5.0
110.18417	1.2
113.02462	2.4
115.00343	2.6
117.03497	1.4
119.03522	3.4
119.04995	1.7
126.25297	1.1
128.03526	1.3
129.05591	3.3
133.01463	1.5
145.03033	1.2
151.00381	3.3
152.35149	1.5
161.04524	1.8
179.05600	4.3
183.04492	4.8
189.07677	4.8
192.02711	1.4
211.04056	4.0
216.97583	1.1
227.03514	13.7
255.02988	61.1
256.03455	4.2
283.02469	100.0
284.03137	25.4
285.04044	84.6
286.04297	6.7
297.03961	2.6
327.05060	4.0
366.00232	1.3
369.13281	2.9
377.33099	1.4
381.13391	4.7
399.14694	1.5
446.08578	14.8
447.09149	14.7
489.10419	47.7
490.10776	6.4
531.11243	5.9
533.15149	1.5
609.15436	1.4
651.15631	56.1
652.16418	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34394	1.1
57.55239	1.1
59.01351	1.8
61.98825	5.2
62.96394	2.1
71.50776	1.2
78.95901	100.0
81.56067	1.3
95.01422	1.3
96.96001	2.9
96.96945	6.1
99.00880	3.1
99.92570	20.0
100.86393	1.1
100.92598	1.4
100.93307	1.6
115.92067	24.4
116.92134	1.4
116.92853	35.2
119.63463	1.0
120.96939	1.9
133.49133	1.1
142.94397	2.3
143.09024	1.1
148.96457	1.4
149.43600	0.9
150.98009	2.9
152.98393	1.6
152.99574	19.5
160.41037	1.0
163.89645	1.3
164.90424	2.0
167.03461	2.4
178.88406	10.8
179.87610	1.6
179.89197	31.3
180.90004	29.3
181.90701	1.1
194.87846	4.7
196.89474	32.3
196.95457	2.0
197.89517	1.6
202.97745	1.3
204.90096	1.2
205.90730	4.7
206.91708	1.0
208.89418	3.0
212.89059	1.4
221.90163	3.5
223.00191	1.3
224.95009	3.0
233.90157	1.1
235.91956	5.2
236.92487	4.6
241.01215	2.0
241.05090	1.0
242.95921	1.8
244.97508	1.3
259.02121	3.6
260.96970	2.8
279.23331	12.3
304.91574	2.4
306.92892	2.0
309.20517	1.5
324.94202	18.5
325.94662	1.3
340.93604	2.1
484.94711	1.2
499.15430	16.0
500.15683	2.3
507.54553	1.3
515.14746	1.8
516.15820	8.4
517.15717	3.1
540.22552	1.1
595.29248	6.4
597.29840	1.7
659.19391	12.0
660.19928	1.5
677.20123	5.4
695.21344	57.5
696.21466	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	695.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01692	0.9
61.98822	1.6
69.68179	2.5
72.11154	0.4
74.28291	0.4
78.95899	11.4
103.66634	0.4
140.28703	0.4
149.00146	0.6
205.15981	0.8
270.35483	0.4
279.23257	0.6
285.12616	0.5
447.13800	0.6
575.73676	0.4
653.30109	0.6
695.31079	51.6
696.31299	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	695.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23999	0.5
58.00586	0.8
59.01376	20.2
61.98820	1.6
64.43383	0.4
71.01381	10.7
72.99277	0.7
73.02930	1.1
75.00837	0.5
75.18728	0.4
83.01383	0.7
85.02943	2.0
87.00874	1.3
89.02441	11.3
95.01379	1.2
96.96027	3.0
99.00863	0.6
99.08157	10.2
101.02448	8.4
102.02782	0.5
113.02422	4.5
115.00348	2.1
119.03493	5.0
123.04512	0.7
126.90421	0.8
127.07638	3.1
128.03488	0.5
129.09227	1.4
133.01428	0.9
135.04494	0.7
141.09145	1.5
143.10799	0.6
145.08698	36.6
146.09097	1.2
163.04018	0.6
179.05679	1.0
187.09766	1.2
195.06529	0.8
208.14731	0.5
307.13950	100.0
308.14331	6.4
353.10159	0.6
423.07446	1.1
447.57657	0.5
533.15015	1.7
551.37103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.6
59.01371	1.4
61.98832	0.4
70.72835	0.8
77.03970	0.4
83.05024	0.7
85.02943	0.6
93.03452	0.7
95.05019	3.7
99.08153	32.7
100.08511	0.7
101.06055	0.3
105.03465	1.0
109.06587	1.1
113.37182	0.3
119.05006	1.8
121.02944	0.8
123.04523	100.0
124.04858	3.4
127.07654	53.7
128.07999	1.7
129.05579	58.1
130.05908	1.8
138.03171	1.2
145.08810	0.2
149.02463	0.7
153.05571	40.5
154.05913	1.7
163.03995	4.8
164.04230	0.3
171.06619	12.2
172.06853	0.5
189.07674	2.3
255.23265	2.5
269.24805	0.4
323.22269	0.3
353.88278	0.2
422.78616	0.3
523.32593	1.3
665.46368	0.3
677.39246	1.0
695.28119	0.4
695.40118	7.0
696.40485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05486	0.4
51.71852	0.4
57.03444	8.2
59.01384	0.8
59.29998	0.4
61.98831	1.4
71.50125	0.5
77.03954	0.9
80.96507	0.8
93.03476	0.6
95.05016	4.4
99.08152	29.4
100.08467	0.8
105.03439	0.6
109.06596	0.7
121.02937	0.6
123.04517	100.0
124.04842	2.8
127.07643	48.8
128.07988	1.3
129.05576	23.9
130.05896	0.5
138.03174	1.2
149.02415	1.2
153.05563	40.6
154.05876	1.3
171.06606	11.1
172.07030	0.6
189.07704	1.9
226.98137	0.4
242.63434	0.4
255.23363	2.7
269.24915	0.5
523.32880	1.1
695.39545	1.8
696.39948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.9
59.01374	8.1
61.98827	7.8
70.06253	2.3
71.01374	3.7
73.02951	0.6
85.02963	2.7
89.02453	1.6
98.19968	0.8
99.08153	29.2
100.08497	1.0
101.02435	2.0
101.06069	1.5
101.60574	0.5
109.06541	0.8
110.44413	0.6
113.02451	1.3
119.05058	1.1
127.07647	54.4
128.07976	1.5
129.05573	100.0
130.05937	2.0
138.03217	1.2
141.31895	0.6
153.05568	36.2
154.05814	1.0
159.03015	0.7
159.04446	0.5
161.04529	2.2
163.03983	2.5
169.12238	0.6
171.06622	14.7
172.06953	0.7
181.12311	1.3
189.07692	1.2
197.11826	0.6
199.13385	33.3
200.13730	1.3
203.95119	0.5
235.08240	0.6
253.09293	4.2
263.11377	1.9
277.21692	80.5
278.22058	5.5
291.23209	0.6
338.10245	0.6
454.55057	0.6
459.34738	1.9
497.10059	0.6
565.95917	0.6
645.16309	0.7
677.39099	3.0
695.40039	26.9
696.40234	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	696.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73262	1.5
58.02983	1.7
59.01383	8.9
61.98825	17.3
66.74165	1.3
71.01372	5.6
71.50618	1.6
71.50987	1.4
72.00906	3.4
72.99298	3.2
73.04058	4.8
74.02484	2.4
82.02952	3.5
82.06644	1.4
86.02463	1.4
89.02435	3.3
93.03424	1.4
95.02526	1.4
96.80273	1.4
98.02476	2.5
99.02018	1.5
99.05605	1.4
101.02428	3.7
101.07207	2.7
109.04076	3.8
111.01994	2.7
113.02444	2.4
113.07154	1.5
115.00344	4.1
116.03525	2.8
118.06595	2.1
119.05022	1.8
123.04502	3.2
123.05637	2.2
124.04037	7.2
124.04876	1.5
125.03559	3.4
127.04250	2.8
127.05128	33.1
128.03552	9.3
129.10341	8.1
130.08749	3.4
133.01437	2.8
139.05130	4.2
139.08717	1.6
141.06679	6.2
143.04796	1.4
145.06195	2.6
147.03485	2.3
147.04526	17.7
149.07179	2.0
150.05524	1.5
151.08778	5.0
152.07170	2.0
153.05522	1.9
153.06737	1.7
155.08235	4.3
161.04509	2.1
164.07159	28.3
166.06192	6.7
167.04619	5.9
167.08249	3.1
168.11388	3.8
169.09810	4.1
180.07794	1.7
184.07291	12.0
184.38116	1.3
185.05676	2.7
186.12515	9.1
188.03853	3.8
193.06229	2.2
199.07120	1.5
211.07228	5.1
222.12350	1.6
233.16586	4.0
236.13939	2.8
242.66888	1.6
259.14459	4.5
263.06934	1.5
270.11029	3.0
277.15607	8.1
279.14621	5.6
290.18704	3.5
298.14111	1.9
311.09299	2.5
312.09766	2.5
334.10880	6.3
334.17493	3.2
346.58051	1.5
365.67227	1.4
376.18619	2.5
378.20203	2.4
388.18826	2.0
401.21765	2.1
403.19901	3.8
443.19571	2.0
445.20987	26.2
446.21240	2.8
487.18768	1.7
489.23483	14.9
490.23819	1.9
492.01135	1.7
502.22888	2.9
516.24530	2.8
531.21613	2.0
546.25537	1.6
550.36200	1.6
561.23999	2.4
570.25659	4.7
588.26636	18.2
589.26703	2.8
632.29510	23.6
633.29828	4.4
634.25842	6.4
637.24829	2.5
640.89771	1.4
652.26410	31.4
653.26801	5.1
678.28290	8.6
696.29205	100.0
697.29028	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	0.8
61.98833	2.4
69.49207	1.8
71.01370	0.8
92.95894	0.3
120.64099	0.3
121.02926	2.8
135.04523	0.3
136.05347	0.9
151.07643	4.5
162.06931	0.5
163.04095	0.4
165.01917	0.7
171.10355	0.7
177.09140	0.5
191.03490	0.7
204.08995	0.3
209.04584	1.6
222.24835	0.3
225.33902	0.3
238.42470	0.3
255.87241	0.3
276.77155	0.3
303.11838	0.3
420.96002	0.3
577.37592	0.4
593.13208	1.2
595.38959	1.1
637.40027	0.5
655.41040	2.1
697.42279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93939	1.0
57.03456	2.9
57.37330	1.0
58.00591	2.8
59.01377	62.4
61.98825	17.1
70.98856	2.7
71.01379	35.3
72.65755	1.0
72.99300	3.8
73.02940	2.2
75.00842	0.9
81.07079	1.4
83.01388	1.8
85.02940	8.3
87.00879	2.6
88.98783	1.3
89.02443	25.8
90.02750	1.2
93.22020	1.0
95.01412	3.2
98.20714	1.5
98.21400	1.2
99.04513	6.0
101.02433	17.2
108.02167	1.3
111.00884	1.7
111.04512	1.1
113.02436	11.5
115.00388	2.4
119.03510	8.4
123.04535	3.5
134.03717	1.8
137.02425	1.8
143.03580	1.4
147.04408	1.4
153.05591	2.2
161.04559	3.9
161.13348	67.2
162.13699	3.0
163.03983	3.5
179.05655	3.1
187.11240	7.8
205.12302	35.8
206.12657	1.4
227.07082	1.6
231.10287	2.1
249.11299	77.5
250.11696	4.5
291.12546	1.6
323.09134	3.7
363.13089	1.9
367.17773	5.7
381.13248	2.7
411.16693	6.3
429.17322	12.4
430.17807	1.6
491.28552	2.4
499.17712	1.4
505.18381	1.6
517.20673	100.0
518.20862	12.6
535.21533	4.4
637.34467	1.3
697.26831	33.6
697.37836	1.7
698.27563	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	697.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01108	1.3
59.01379	14.3
60.61062	0.9
61.44698	1.0
61.98833	9.5
67.28982	1.1
71.01375	2.0
73.72152	1.0
78.70040	1.0
85.02921	1.3
89.02457	2.5
96.95990	1.1
99.08151	14.2
121.02961	1.2
123.04485	1.6
127.07642	15.9
129.05576	46.5
137.09773	1.0
145.08711	1.8
147.04556	1.5
153.05516	2.0
170.10127	1.0
171.06583	4.1
173.10234	1.0
189.07683	100.0
190.07959	3.6
241.08717	1.1
330.76285	1.1
373.23917	1.4
619.31097	3.1
637.32062	2.3
697.41418	2.8
704.34009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91845	0.7
57.03439	9.0
57.03893	0.8
59.01371	6.0
61.98826	2.6
69.49609	5.4
71.01369	2.9
73.02945	1.0
83.05022	1.7
85.02937	1.9
89.16222	0.8
92.38300	0.8
99.08150	32.0
101.02434	1.0
101.06126	1.1
104.01995	0.8
113.02448	1.1
127.07648	50.6
128.07986	1.9
129.05580	100.0
130.05905	3.2
130.45409	0.7
138.03221	0.9
153.05576	37.8
154.05901	1.1
161.04501	1.3
171.06615	13.4
172.07001	0.9
263.11353	1.2
279.23264	56.0
280.23651	3.6
679.40082	2.9
697.41571	26.7
698.41980	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	698.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16336	0.5
56.78754	0.5
59.01374	3.5
61.98832	100.0
63.80138	0.6
68.38837	0.6
69.85006	2.1
86.72762	0.5
90.99252	0.5
98.19925	0.6
112.02927	0.7
183.87340	0.6
252.79424	0.6
261.56219	0.6
279.23361	0.6
479.53833	0.7
581.81146	0.6
612.53772	0.6
698.32532	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	698.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
68.98987	0.2
75.57698	0.2
78.23454	0.1
83.90425	0.2
277.21967	0.2
328.63812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.3
61.95943	0.3
61.98827	100.0
63.81998	0.3
71.50459	0.4
71.50868	0.4
74.76674	0.3
78.80072	0.3
81.29984	0.3
83.62222	0.3
83.98655	0.3
112.94315	0.3
118.75459	0.3
133.73340	0.3
156.73775	0.4
194.60568	0.4
213.12169	0.3
473.04709	0.3
546.39703	0.4
702.82410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65013	0.2
55.99464	0.2
58.30880	0.2
59.01382	1.0
60.99303	17.5
61.99656	0.3
71.01372	0.3
71.39350	0.2
71.39688	0.2
88.98802	100.0
89.99136	0.8
90.21225	0.2
196.27777	0.2
227.03575	0.3
255.02986	0.9
283.02542	2.5
284.03043	0.3
285.04037	1.8
385.98654	0.2
446.08514	0.5
447.09320	1.4
489.10260	0.3
609.14569	3.2
610.14594	0.5
674.92456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58965	0.3
55.01862	0.5
55.67774	0.4
57.03447	0.9
58.00584	1.4
59.01376	41.4
60.01702	0.7
60.85908	0.4
60.99306	3.9
62.85983	0.4
64.31868	0.4
68.80179	0.4
71.01377	22.1
71.54839	0.4
72.99299	2.1
73.02938	0.6
76.12268	0.4
83.01416	0.8
85.02943	4.4
85.06555	0.5
87.00879	1.0
88.98802	22.8
89.02438	29.9
95.01364	1.5
95.01955	0.3
96.36367	0.4
96.96050	0.4
98.75724	0.4
101.02436	13.6
102.02747	0.4
113.02442	9.8
113.06074	1.6
115.00381	0.4
119.03493	12.3
119.04917	0.9
131.03496	1.0
131.07135	3.9
135.04471	0.4
143.03473	0.9
161.02458	0.9
161.04555	0.7
163.03946	0.6
179.05586	1.7
209.80020	0.4
223.64009	0.4
236.03763	0.4
241.76611	0.4
283.02240	0.8
285.03958	0.4
293.12396	100.0
294.12741	5.5
315.04678	0.5
417.56131	0.4
645.55072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03398	1.8
59.01379	95.1
59.08897	1.8
59.55909	2.0
60.01711	2.0
61.98833	36.0
71.01392	11.4
73.02941	3.3
78.95912	2.7
83.01385	1.9
85.02938	7.7
88.98814	3.2
89.02428	1.7
101.02442	8.9
102.03542	1.5
113.02459	3.4
119.05048	3.3
119.63083	1.6
120.05819	22.2
121.02890	2.5
123.04483	4.1
127.07697	2.4
128.10704	1.6
134.14799	1.5
135.08167	100.0
136.08493	4.8
153.05594	2.9
158.03075	1.6
161.04544	4.4
162.09200	1.6
163.03960	2.9
178.65364	1.6
193.75212	1.6
298.23672	1.6
441.28485	13.8
451.34238	2.6
459.29709	31.2
460.30081	3.4
577.37073	5.4
579.38385	1.9
595.38159	5.8
613.39594	4.4
620.19379	1.7
655.40485	6.2
699.42596	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	699.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.9
59.01381	6.6
61.98829	4.1
66.19857	1.2
70.45716	2.4
71.01373	3.6
83.05004	1.7
85.02943	1.4
99.08157	30.3
101.02453	1.1
101.06074	1.9
109.06539	1.4
113.02477	1.9
120.05100	1.1
126.65597	1.0
127.07648	55.6
129.05573	100.0
130.05881	3.1
136.88454	1.2
137.66461	1.1
146.96730	1.0
153.05563	35.0
154.05806	1.4
159.04529	1.9
171.06627	15.2
171.78847	1.1
172.05328	1.2
187.03972	2.3
188.04747	4.2
230.65004	1.2
255.23184	2.8
263.11298	2.1
268.13107	1.1
269.24893	1.5
281.24844	55.6
282.25262	3.6
313.14468	7.1
331.15811	1.7
387.18054	1.4
405.18835	2.9
614.72278	1.3
618.25348	1.2
681.42389	3.6
699.43176	33.4
700.43848	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	700.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30847	0.2
59.01378	0.8
61.98827	100.0
68.81079	0.2
71.01401	0.4
71.50941	0.2
73.02959	0.2
86.23273	0.1
89.02450	0.3
101.02437	0.2
117.84330	0.1
119.05076	0.2
123.04561	0.2
139.29515	0.1
151.93304	0.2
183.05550	0.1
221.06932	0.2
253.59808	0.2
276.58527	0.1
316.07999	0.2
336.94995	0.2
605.80219	0.2
700.38568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92978	0.4
59.01377	100.0
60.01699	0.6
61.98832	7.2
71.50331	0.4
76.35948	0.4
82.87374	0.4
101.02441	0.6
129.05598	1.4
165.05542	4.1
171.10278	0.7
189.07726	4.5
195.04459	1.3
198.06837	1.2
201.98862	0.5
210.06941	1.9
211.03993	1.4
211.13449	2.2
223.04112	2.1
224.04776	2.3
225.05565	0.9
225.09309	0.7
226.06351	13.1
227.03519	0.8
227.06680	0.8
238.06360	5.9
239.03586	1.8
239.07117	1.4
240.04321	1.5
241.08687	31.6
242.09003	2.6
253.05101	0.7
254.05881	1.2
255.03139	2.0
255.06778	2.0
283.02603	2.0
464.12833	1.0
479.14899	13.2
480.15536	1.7
540.17029	0.8
641.20734	0.5
651.17896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72934	0.5
59.01376	3.8
61.98833	2.7
71.01367	2.8
73.02943	1.1
89.02392	0.7
89.89616	0.5
93.03454	1.3
99.08176	0.7
101.02438	1.0
113.02419	0.7
115.00340	0.9
117.03451	2.0
119.05025	22.8
120.05386	1.4
121.02911	1.2
121.49399	0.5
123.04485	0.7
125.02430	0.7
127.07648	100.0
128.07968	3.1
132.05844	0.7
133.06624	4.6
143.50346	0.6
145.02946	10.4
153.05565	0.7
159.04477	1.1
161.06075	9.7
163.04012	18.6
164.04311	0.7
171.06619	88.0
172.06979	3.8
187.04033	2.6
193.05063	0.5
203.05594	0.9
205.05046	9.4
206.05362	0.6
209.04524	1.1
217.05011	0.6
230.38774	0.8
239.05672	0.7
325.09207	3.6
367.10217	1.9
433.20911	0.6
539.17743	1.2
701.22913	40.6
702.23340	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	701.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24288	0.4
54.27010	0.4
59.01378	5.6
61.98826	4.3
71.01387	2.9
73.02953	1.2
85.02937	0.9
88.98808	1.1
89.02451	1.5
93.00874	0.4
93.03458	2.6
98.20721	0.6
99.08163	1.1
101.02463	1.7
113.02457	1.2
115.00354	0.9
117.03467	1.0
119.05019	19.5
120.05363	0.6
121.02955	0.5
123.04539	1.3
125.02422	0.5
127.07646	100.0
128.07993	2.9
129.05539	0.5
133.06589	2.2
137.44142	0.4
145.02953	5.9
145.08684	1.2
152.06850	0.5
153.05577	1.2
159.04512	0.9
161.04768	0.7
161.06067	4.8
161.73183	0.4
163.02623	0.5
163.04004	9.7
164.04318	0.7
171.06616	92.8
172.06966	3.6
177.05684	1.0
187.03992	2.9
205.05038	5.7
206.05293	0.6
211.13440	0.8
235.06195	0.7
244.38553	0.4
307.08194	1.3
331.14145	0.6
332.26114	0.4
367.10294	1.5
380.30014	0.4
397.13394	1.0
433.20682	0.6
456.21143	0.4
495.18591	0.7
521.21814	1.1
657.24365	0.9
701.22913	33.2
702.23096	6.0
710.35144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54755	0.6
52.53400	0.5
59.01376	100.0
61.98826	1.9
62.20432	0.6
69.76865	3.5
71.00200	0.5
72.04675	0.6
72.37706	0.5
75.84663	0.6
78.95918	0.7
81.42904	0.6
117.88936	0.6
119.92899	0.6
229.35612	0.6
231.89642	0.6
437.12350	1.1
438.13416	3.1
439.13470	0.7
452.14810	2.1
453.15475	0.8
467.13940	0.8
470.12442	0.8
480.14359	1.7
481.15140	29.2
482.15527	7.1
495.16788	12.0
496.16971	2.5
497.18298	6.1
498.18927	0.9
514.14862	3.1
523.16455	1.0
525.13959	0.8
528.16858	0.7
539.16003	1.4
540.16547	8.0
541.16986	1.8
551.19427	1.0
554.17926	3.2
555.18823	57.6
556.19031	12.3
572.15472	16.6
573.15723	2.4
586.17114	7.2
587.17493	1.0
609.19775	1.7
627.20782	0.9
641.22461	26.6
642.22705	6.1
674.09113	0.7
701.24615	68.4
702.24780	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11010	0.4
59.01376	6.6
59.18291	0.3
61.98833	6.3
66.93135	0.4
67.95187	0.4
69.31417	3.4
71.01373	1.3
72.70879	0.4
73.81160	0.4
75.00861	0.5
85.68184	0.4
89.02443	1.0
97.24303	0.4
101.02450	1.5
105.44180	0.4
113.02437	0.7
145.88037	0.4
152.99573	0.4
155.10732	0.6
161.04483	0.6
165.12798	0.4
167.14355	0.5
171.10286	1.4
183.13892	6.3
189.07620	0.6
193.12340	1.6
211.13377	100.0
212.13734	4.9
235.08159	1.1
253.09236	3.8
260.91684	0.5
268.43134	0.5
335.88599	0.4
393.65961	0.5
429.21237	1.4
432.05081	0.5
447.22339	7.9
448.23059	0.7
540.16602	0.6
623.34607	0.9
641.35522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35626	0.8
53.30983	0.8
53.61438	0.9
57.16002	0.8
59.01379	88.2
61.98829	12.0
62.42828	0.8
71.01384	9.0
71.50436	1.1
73.02941	2.1
83.01383	3.2
85.02948	4.5
87.00891	1.7
89.02438	2.8
90.51861	0.9
90.52434	0.9
101.02446	5.9
107.76818	0.9
111.00869	4.2
113.02454	2.9
115.00364	1.8
116.92831	1.0
119.05000	2.2
120.05811	22.5
123.04544	1.3
127.03983	1.4
127.07621	2.2
129.05528	1.7
135.08162	100.0
136.08507	4.0
161.04582	2.0
163.04027	1.9
165.05569	2.2
174.01782	1.0
175.02429	1.4
179.05560	1.0
179.10751	1.0
189.07715	1.7
222.81744	0.9
299.25952	2.0
358.40903	1.0
361.83502	1.0
443.30078	18.0
444.30630	1.9
461.31161	39.6
462.31631	4.9
503.32187	3.7
517.18597	2.2
551.20679	1.2
561.37646	1.6
579.39215	4.6
580.40094	1.1
597.40057	8.4
615.41278	5.5
657.42133	8.3
658.42035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66903	0.1
59.01374	0.3
61.98824	100.0
62.66501	0.2
62.98537	0.2
69.15262	0.2
69.15660	1.3
70.62977	0.1
76.06245	0.2
89.02439	0.2
98.20692	0.3
115.00425	0.2
145.73532	0.1
151.00357	0.6
153.71393	0.2
179.05624	0.2
242.02173	1.2
243.02966	0.6
245.01030	0.4
257.04617	0.2
270.01654	2.3
271.02417	1.0
285.03973	1.0
286.04700	0.3
298.01282	0.6
299.02045	0.5
300.02710	2.2
313.03500	8.4
314.04190	1.9
315.05045	6.7
316.05420	0.4
330.34073	0.2
357.06378	0.2
461.07782	0.2
476.09683	1.1
477.10297	7.5
478.10886	0.6
519.11865	0.5
590.22388	0.2
639.15564	11.0
640.15753	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19812	0.1
59.01374	0.4
61.98829	100.0
62.98537	0.2
65.74333	0.1
69.30427	1.0
69.30826	0.3
70.01196	0.1
71.01381	0.3
71.26093	0.1
98.19858	0.2
110.58241	0.2
112.32102	0.1
127.07657	0.2
129.05803	0.1
147.04506	0.1
184.05412	0.2
211.13457	0.3
227.06923	0.2
255.06567	1.3
256.07538	0.2
262.59192	0.2
296.53946	0.1
310.56802	0.1
703.30322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21140	0.1
59.01375	0.1
61.98828	100.0
62.98540	0.1
71.83229	0.1
90.90922	0.1
106.83988	0.1
205.91737	0.1
242.22014	0.1
277.21667	0.2
399.13785	0.1
400.14359	0.1
709.45380	0.1
716.23706	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	703.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64265	1.4
57.03463	1.9
59.01378	25.9
61.98832	29.0
65.00333	1.9
65.58630	1.2
71.01379	15.7
71.50794	1.9
72.99310	7.8
73.02959	3.7
75.00877	3.9
83.01386	4.8
83.05023	3.1
85.02936	3.7
87.00873	5.9
88.98783	2.7
89.02418	8.7
95.01385	1.5
95.05032	1.5
99.00874	5.7
99.08192	2.7
101.02456	9.9
107.01395	2.3
109.06586	1.8
111.00854	2.6
112.98798	6.2
113.02450	3.7
113.99609	1.5
115.00392	12.7
115.92049	1.4
116.92896	1.8
117.03500	2.4
119.05025	8.5
121.02927	1.3
123.04513	3.9
125.02432	1.8
127.04003	5.2
127.07658	3.9
129.05553	4.6
131.03479	1.4
137.68633	1.4
142.99866	5.8
144.71140	1.4
145.02953	7.2
147.04503	5.4
149.02415	1.8
151.00378	7.0
153.05551	5.5
155.04976	1.4
161.02454	1.9
161.04565	3.1
163.04045	5.7
165.05562	2.6
174.01698	39.6
175.02477	16.1
179.05574	2.4
183.04546	2.8
185.02364	1.6
186.03168	2.2
189.07741	2.6
198.03224	1.5
198.06854	5.2
199.04001	7.3
207.10236	1.4
209.11797	1.6
214.02626	3.8
215.03363	1.6
225.05486	1.9
225.11282	1.9
226.06352	43.5
227.03502	4.4
227.06766	1.9
237.42979	1.2
239.07202	1.4
241.01419	13.7
241.08694	38.3
242.02216	8.1
242.09064	3.5
243.03012	11.8
245.00914	12.8
253.09372	8.0
255.02925	7.2
263.83157	1.2
270.01682	27.3
271.02454	49.6
272.02948	2.6
293.17990	2.4
293.21222	33.8
298.01132	12.9
299.01956	100.0
300.02423	9.7
301.03137	1.4
305.17542	1.6
305.21332	1.5
319.22693	2.2
319.97827	1.4
345.20673	3.1
433.07559	2.6
435.18500	1.6
437.93347	1.7
461.07224	65.3
462.07776	11.1
499.29187	2.3
505.33740	3.0
541.11383	54.7
542.11328	7.5
579.29010	1.4
585.29089	5.2
599.29956	2.2
599.38324	2.0
607.27594	4.4
625.27460	2.4
625.36713	2.3
637.28589	1.9
643.29077	1.7
685.30762	5.1
703.16382	18.0
703.39362	2.9
704.17407	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	703.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87654	1.3
59.01377	33.2
60.01706	2.5
61.98826	80.9
71.50711	1.4
72.98212	1.3
79.92751	1.4
86.02948	1.3
92.47257	1.3
165.05499	4.4
177.05579	1.5
210.06847	80.9
211.03935	6.3
211.07166	6.9
211.13371	2.0
212.04726	6.2
213.05450	3.1
224.04626	2.9
225.05511	2.8
225.09178	21.5
226.06335	15.8
227.06909	2.1
239.03482	5.4
239.07135	2.6
240.04213	6.9
241.05101	7.5
241.08669	29.4
242.08977	4.4
243.09140	2.3
255.06610	36.1
256.07089	4.8
372.76682	1.6
469.35223	1.7
481.16492	100.0
482.16968	13.9
641.35199	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	703.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25491	0.2
59.01380	4.2
61.42456	0.2
61.98536	0.4
61.98832	5.1
65.03991	0.2
70.04766	0.3
71.01379	2.3
71.63207	0.2
73.02953	2.0
81.07092	3.5
83.01385	0.5
83.05018	1.3
84.21904	0.2
85.02939	0.5
93.03468	0.5
94.04295	0.6
95.05048	0.8
95.38010	0.3
98.20699	0.4
99.08189	0.3
101.02447	2.7
105.03458	0.4
109.06600	5.4
113.02453	0.8
119.03528	0.4
121.03004	0.7
123.04535	17.8
124.04846	0.5
125.02464	0.4
125.06106	0.5
127.07659	12.2
128.07944	0.3
129.05608	0.8
131.03455	0.3
138.03244	7.2
139.03577	0.4
143.03528	0.6
149.02448	0.3
153.05582	100.0
154.05927	3.9
155.03545	0.3
156.62976	0.3
161.04529	1.3
171.06633	12.9
172.07008	0.6
203.05608	0.4
209.85124	0.3
285.09723	0.6
346.41989	0.3
435.18631	0.4
439.16074	43.4
440.16483	4.5
703.24243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35722	4.4
59.01360	6.6
69.45038	13.1
69.45462	16.9
91.03777	3.9
92.82956	4.5
103.79196	4.5
127.07637	89.3
165.40919	4.1
171.06621	63.6
190.94681	4.4
227.30788	4.8
243.35608	5.0
351.12973	100.0
352.13269	12.3
405.48145	4.5
529.09064	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	703.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03444	7.0
59.01376	13.4
61.98827	0.5
69.83102	0.8
71.01376	9.2
71.05019	0.7
73.02945	2.7
75.00832	0.2
81.07089	0.4
83.01380	1.1
83.05013	1.2
85.02946	4.1
85.06567	0.3
87.00881	0.4
88.98804	0.5
89.02441	1.6
92.17413	0.2
95.01374	0.7
99.00879	1.2
99.08152	31.3
100.08466	1.3
101.02434	6.1
101.03108	0.3
101.06072	3.2
109.06566	0.8
110.00103	0.3
110.27837	0.2
111.00893	0.2
113.02444	3.6
119.03481	0.4
123.04512	3.2
125.02445	0.3
125.06078	0.2
127.07645	48.5
128.07979	1.5
129.05571	66.0
130.05894	1.9
138.03200	0.8
143.03503	0.5
144.18919	0.2
153.05565	37.0
154.05893	1.6
154.99643	0.2
159.02986	0.9
161.04538	6.8
171.06612	9.2
172.06947	0.4
179.05656	0.5
180.90079	0.2
189.07736	0.3
221.06589	1.1
263.11328	9.4
264.11655	0.5
285.09854	0.3
291.11047	0.3
307.10327	0.5
331.92538	0.2
417.17560	3.6
417.22775	0.3
418.18011	0.5
435.18640	100.0
436.19003	10.0
457.16940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55167	0.4
59.01382	4.8
61.98828	22.3
70.55088	0.8
70.55495	0.7
71.01377	3.5
73.02940	0.6
81.07093	3.8
83.01381	0.5
83.05028	1.6
85.02953	0.7
89.02448	3.8
92.84914	0.4
93.03458	0.8
94.04246	0.4
95.05054	1.0
97.55230	0.3
101.02403	2.1
101.06091	0.4
109.06595	5.7
113.02470	1.3
119.03509	1.0
119.04993	0.4
121.02928	0.9
122.59439	0.4
123.03632	0.9
123.04528	18.0
124.04821	0.7
125.06066	0.6
127.07662	12.3
128.08009	0.6
129.05582	0.4
131.00551	0.4
138.03229	8.0
139.03639	0.4
143.67960	0.4
149.02383	0.5
153.05569	100.0
154.05885	3.4
159.55376	0.4
163.03987	0.5
171.06622	7.4
179.05611	1.1
189.07602	0.6
230.82536	0.5
297.33096	0.4
299.01834	2.0
349.18646	0.7
403.51474	0.4
456.53732	0.4
461.07224	2.1
505.33850	0.6
523.21802	38.2
524.22156	4.9
665.37500	0.6
667.39069	7.9
668.39471	1.3
703.26343	0.7
703.37903	2.5
704.28046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28207	0.8
57.03436	1.2
58.00582	0.7
59.01379	40.0
61.98829	4.5
69.03422	0.8
70.60739	2.1
71.01381	21.6
71.58970	0.6
72.99295	2.4
73.02940	16.8
75.00882	0.7
80.96501	1.0
83.01392	4.0
85.02946	5.1
87.00869	2.9
89.02446	9.4
95.01386	1.8
99.00885	1.2
101.01800	1.2
101.02444	17.4
113.02448	8.6
115.00442	0.9
119.03496	2.8
119.04999	0.6
124.01682	0.9
125.02453	1.3
127.04006	0.8
143.03481	1.4
147.04495	0.6
161.04523	1.3
165.05504	0.8
174.01733	1.2
175.02505	1.4
179.05621	0.8
212.70538	0.6
253.09216	0.7
255.06589	0.8
275.20068	6.5
276.20459	1.2
277.21661	1.4
293.21146	10.5
294.21500	0.8
307.27673	0.7
342.13214	0.6
407.07874	0.9
437.25284	2.7
455.26566	11.2
456.26666	1.5
479.26529	3.2
497.27539	100.0
498.27890	16.2
538.96271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03443	2.1
58.00580	1.8
59.01377	46.4
60.74949	1.3
61.98830	54.9
71.01381	35.2
71.50635	1.7
72.44337	1.4
72.99318	3.2
73.02949	4.9
75.00852	2.1
83.01401	3.8
85.02942	10.2
87.00868	4.0
88.98800	3.0
89.02438	41.0
95.01382	1.9
96.96022	2.1
99.00879	2.2
99.08145	2.8
101.02435	22.7
109.06579	2.4
109.57166	1.2
113.02446	15.2
119.03493	18.1
119.05003	2.3
123.04515	7.7
125.02450	1.7
127.07663	8.6
129.05574	5.3
131.03468	2.6
132.41893	1.4
138.03143	1.4
143.03519	3.8
149.04533	2.7
150.03249	1.9
153.05563	47.3
154.05972	1.7
158.82045	1.4
161.04559	6.3
163.04013	2.7
163.69804	1.4
165.05540	2.8
171.06665	4.0
179.05614	17.7
209.98256	1.4
345.42114	1.4
435.18784	4.4
435.26135	3.9
439.16147	4.0
505.33749	6.9
591.58765	1.6
597.12115	1.5
597.39197	2.3
650.86340	1.5
665.37518	6.1
667.39081	100.0
668.39465	17.8
685.30658	2.3
703.36865	55.8
704.36725	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	703.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.8
61.98541	1.8
61.98831	22.6
70.25510	2.3
71.01381	20.6
72.99319	2.1
73.02937	4.1
73.60652	1.0
73.71869	1.0
83.01400	3.1
85.02927	6.6
87.00875	2.1
88.98800	1.9
89.02443	15.6
95.01360	1.6
96.95989	2.3
99.00905	1.8
99.08199	1.3
101.02431	12.8
109.02960	1.1
113.02440	9.4
117.07098	1.2
119.03501	5.6
123.04521	4.8
125.02425	1.4
127.07653	4.6
129.05556	2.2
131.03445	1.2
143.03471	1.6
150.03226	1.4
153.05582	17.0
159.02977	1.0
161.04553	4.1
171.06694	2.1
179.05630	6.1
217.55820	1.1
241.08783	1.3
374.03439	1.1
435.19077	1.2
435.26303	1.9
440.16730	1.1
505.33606	5.8
665.37396	2.1
667.39063	100.0
668.39478	14.5
685.30457	1.1
703.36871	55.5
704.37286	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	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17994	21.0
59.01359	31.0
61.98832	100.0
75.25029	17.4
93.13857	17.3
98.19886	47.3
117.92552	18.0
171.10321	27.8
238.17323	18.8
255.23286	24.6
257.15042	17.7
277.21741	31.7
504.18695	17.9
573.69934	20.6
596.07300	19.4
662.21075	22.1
709.95410	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07740	23.2
59.01384	26.8
59.15060	18.3
61.98820	100.0
62.02993	21.4
73.84675	23.4
78.95959	22.8
80.47957	20.0
109.06568	23.2
110.55942	21.8
119.63995	22.5
143.68672	20.4
171.10269	52.8
205.17180	22.4
209.11781	24.3
255.23380	46.1
256.23587	32.6
277.21652	79.0
369.19305	23.2
440.96503	22.8
547.83258	22.1
587.14581	20.8
640.40350	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70056	0.1
54.99800	0.1
59.01375	2.1
60.01723	0.2
61.98826	100.0
69.19478	0.4
69.19889	1.0
95.10453	0.1
98.19823	0.2
110.13616	0.1
159.97653	0.2
205.20062	0.2
231.84723	0.2
276.31921	0.1
277.21790	0.2
279.23441	0.2
288.62482	0.2
321.29843	0.2
357.35046	0.2
397.14154	0.2
439.42099	0.2
483.15512	0.3
484.15689	0.4
498.17197	0.2
521.57825	0.2
557.19482	0.6
558.19141	1.2
559.19513	0.2
574.15991	0.2
575.16364	0.3
644.23212	0.7
704.24194	2.5
705.23578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93673	0.3
59.01378	0.5
61.98827	100.0
62.98531	0.2
65.53460	0.2
70.05044	1.1
70.86002	0.2
71.01381	0.3
78.99236	0.3
91.11517	0.3
103.57964	0.2
110.67715	0.2
168.59465	0.2
207.75453	0.2
211.13426	0.7
212.13885	0.3
258.30582	0.3
266.67426	0.2
283.59933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21812	0.7
59.01371	2.4
61.98826	100.0
71.01382	1.8
85.02976	0.6
89.02477	0.9
101.02438	1.1
104.13738	0.6
113.02402	0.7
126.90488	0.8
131.32408	0.6
135.51830	0.6
202.66698	0.7
219.04913	0.7
241.05013	0.8
255.06377	0.6
274.10284	0.6
319.94620	0.5
343.26642	0.9
369.24527	1.0
387.25470	1.1
405.26740	3.6
542.14703	2.2
571.08673	1.7
641.35388	21.7
642.35553	4.5
704.21741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98827	100.0
63.28059	0.4
71.01385	0.7
71.50490	0.6
72.29715	0.3
85.02966	0.3
103.90500	0.3
112.46224	0.3
113.02465	0.4
116.22037	0.3
119.05087	0.3
119.90462	0.3
120.31274	0.3
121.82054	0.3
146.50334	0.3
147.04565	0.6
163.04085	0.3
210.06886	0.6
255.06540	0.6
264.88861	0.4
309.98859	0.3
325.25995	0.4
365.08142	0.3
387.25275	0.9
405.26328	1.7
481.16507	0.5
482.17163	0.9
641.35266	10.2
641.44946	0.6
642.35663	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	705.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50474	0.4
59.01374	4.6
61.98838	0.9
71.01379	2.1
71.51096	0.5
79.05514	0.4
80.91663	1.1
81.07091	3.1
83.05019	1.4
85.02917	0.8
89.02452	2.9
93.03436	0.5
94.04225	0.5
95.05002	0.7
101.02438	1.1
109.06585	5.9
113.02464	1.0
119.03460	0.8
123.04520	17.1
125.06104	0.5
125.08423	0.4
127.07651	11.7
130.53210	0.4
131.39056	0.4
138.03227	8.3
153.05571	100.0
153.17542	0.4
154.05896	3.3
161.04529	0.8
171.06630	9.6
179.05678	1.0
199.73396	0.4
334.21762	0.4
439.16193	2.9
481.17105	35.1
482.17480	4.6
636.62860	0.4
661.23523	0.9
705.24365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38943	1.0
54.65178	1.0
57.03440	3.5
58.00582	2.4
58.18201	1.0
59.01377	73.5
61.98829	44.3
69.03443	3.2
71.01378	40.3
71.01781	1.7
72.01708	1.2
72.99292	4.0
73.02948	12.5
75.00858	2.3
81.03439	1.7
83.01384	7.2
83.05026	1.7
85.02954	10.8
87.00887	5.7
88.98814	1.3
89.02437	27.3
95.01363	4.3
96.95980	1.1
97.02945	4.9
97.06577	2.0
97.26588	0.9
99.00877	4.9
99.08174	1.7
101.02438	33.2
107.05084	1.3
109.06552	2.4
111.00899	1.6
111.04497	1.4
113.02443	16.4
116.92839	1.5
119.03481	8.5
119.05004	1.7
123.04498	4.1
125.02447	6.2
125.09690	2.7
127.07624	3.8
131.03497	1.5
135.02969	2.0
135.08171	1.1
137.09738	2.5
141.02078	1.1
143.03482	4.1
147.04495	5.3
148.04936	1.2
153.05511	1.5
161.04529	5.1
163.03979	1.7
163.07637	0.9
163.11259	3.1
165.12788	1.5
171.06664	1.8
171.10312	1.0
174.01645	1.7
179.05594	4.5
181.12314	1.2
185.11789	3.2
189.12947	1.3
191.14378	2.3
199.13412	2.2
207.10226	4.1
209.11838	8.1
211.13354	3.3
221.06633	1.1
223.16953	1.4
225.11261	3.8
235.08177	3.4
237.11337	3.2
245.19130	5.9
253.09256	1.2
256.07162	1.4
277.21652	5.8
281.21417	1.0
289.18079	27.1
290.18497	1.2
295.22736	10.4
307.19119	34.5
308.19348	3.4
397.13528	15.1
399.27765	1.3
415.14505	15.8
416.14581	1.2
439.16037	1.1
439.26877	6.9
457.28043	26.8
458.28467	4.1
481.27972	2.7
482.28732	1.3
499.29095	100.0
500.29434	17.5
501.30582	2.2
543.31689	5.2
645.34729	10.4
646.34833	2.2
663.35931	7.6
673.34320	4.3
705.19977	3.1
705.34174	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	706.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98826	100.0
63.99276	0.3
71.01418	0.3
74.34007	0.2
87.74277	0.2
90.97832	0.2
144.01553	0.2
203.84216	0.3
253.88573	0.2
318.53864	0.3
417.11105	0.3
433.11182	0.3
449.14001	0.3
481.16574	3.4
482.17181	0.6
643.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
61.11086	0.5
61.98820	1.6
70.46778	0.4
71.01379	4.8
71.50298	0.7
71.50649	0.6
72.99307	4.2
73.02958	0.6
75.00866	21.0
81.07076	1.3
83.05044	1.1
85.02950	1.8
87.00872	3.6
89.02431	3.2
93.03441	0.7
94.59394	0.5
95.05019	1.0
96.96005	1.2
101.02449	2.3
105.01929	100.0
106.02265	1.8
109.06564	2.3
113.02425	2.1
115.00408	0.6
119.03493	1.6
119.05037	0.7
123.04518	35.0
124.04861	1.2
125.02437	1.0
127.07643	11.3
128.03549	1.1
130.27077	0.5
138.03226	3.2
149.02473	0.6
151.00401	0.7
153.05569	35.0
154.05891	1.4
161.04533	2.2
171.06586	5.5
171.07904	0.6
179.05605	1.7
195.54654	0.5
196.48146	0.5
219.05075	1.4
227.03543	2.1
249.06149	5.6
255.03021	3.5
283.02628	1.4
284.03271	3.3
285.04031	10.8
285.09747	8.2
286.04535	0.7
343.10257	2.8
373.11362	3.1
421.14807	0.6
439.16113	2.3
447.09241	4.7
448.09674	1.0
489.10913	0.7
527.17657	15.3
528.17719	1.7
545.09430	1.8
609.14233	1.3
662.72375	0.5
707.23773	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
61.98821	1.9
67.76003	0.4
71.01385	5.9
72.99306	4.0
73.02916	0.5
75.00871	22.3
81.07079	1.7
83.01381	0.7
83.05027	1.0
85.02978	0.9
87.00871	4.5
89.02431	3.8
89.35175	0.5
91.88524	0.6
95.05038	1.0
96.96012	1.1
101.02449	2.1
105.01932	100.0
106.02259	0.8
109.06575	2.1
113.02444	2.2
115.00423	1.1
119.03471	0.8
123.04520	36.1
124.04837	1.1
127.07655	11.2
128.03534	1.0
138.03223	3.6
147.03015	0.7
150.03174	0.5
151.00368	0.5
153.05569	36.1
154.05901	1.5
161.04587	2.6
171.06635	6.3
175.02518	1.2
176.03366	0.6
179.05586	1.4
190.63916	0.6
219.05115	1.4
227.03416	3.0
249.06145	4.9
250.06477	0.6
255.02989	3.4
256.03610	0.6
283.02451	1.3
284.03156	3.0
285.04077	12.0
285.09781	8.4
286.04135	0.6
323.09796	0.7
343.10413	2.6
373.11359	4.4
374.11575	0.8
421.15152	0.8
439.16055	2.7
447.09314	5.3
448.09927	0.8
454.92444	0.6
514.66766	0.5
527.17615	17.0
528.18048	2.2
545.09552	2.0
615.38245	0.6
707.23840	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	707.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35780	0.1
59.01385	1.5
61.98829	1.1
64.22488	0.1
70.29487	0.1
71.01381	1.8
73.02967	0.3
78.95903	0.2
79.05541	0.4
81.07097	3.8
83.01395	0.1
83.05021	1.5
85.02956	0.6
89.02450	0.8
93.03478	0.5
93.32775	0.2
94.04255	0.7
95.01350	0.2
95.05029	0.5
98.20694	0.3
99.08167	0.2
99.14084	0.1
101.02425	0.9
105.03472	0.4
109.06594	6.0
113.02438	0.7
119.03521	0.2
121.02990	0.4
123.04529	15.5
124.04853	0.3
125.06065	0.4
127.07655	7.0
128.07950	0.2
129.05620	0.2
134.63223	0.1
138.03235	7.3
139.03552	0.3
149.02475	0.2
153.05576	100.0
154.05898	3.6
159.10960	0.1
161.04570	0.7
171.06631	7.6
172.06845	0.2
172.08897	0.2
179.05618	0.2
184.45364	0.2
187.11328	0.3
191.49358	0.1
229.04645	0.2
233.11728	0.2
253.09265	0.7
284.14337	0.2
285.09769	0.3
291.19644	0.4
309.20563	0.2
328.79984	0.2
372.33112	0.2
382.31058	0.2
439.16086	56.1
440.16391	5.9
453.25076	0.2
471.26031	0.5
647.36517	0.5
665.37531	0.3
669.40332	0.2
707.37793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03438	1.6
58.00589	1.0
59.01377	31.9
61.98827	24.1
67.30843	0.4
69.03452	0.6
71.01378	28.6
71.05009	0.6
71.50361	0.6
71.50741	0.4
72.43195	0.5
72.99302	1.8
73.02940	7.8
74.02468	3.4
78.95892	0.5
81.03446	0.6
81.07095	1.3
81.53648	0.4
83.01387	5.5
83.05032	1.1
85.02943	13.9
86.00098	0.7
87.00883	2.5
89.02442	9.0
91.34236	0.4
95.01376	3.0
97.02942	1.9
97.06568	1.1
99.00877	3.7
99.08154	1.3
101.02438	17.8
102.02778	0.5
104.03565	0.5
109.06592	3.8
111.00880	2.1
112.01717	1.0
113.02449	11.7
119.03493	3.8
123.04517	7.5
124.01658	0.8
125.02444	3.2
127.07648	70.6
128.08020	2.8
129.01959	0.9
129.05548	2.1
131.03500	0.6
138.03235	3.4
141.01941	0.6
143.03467	2.8
153.05569	48.9
154.05873	1.6
159.02963	1.2
161.04530	4.0
171.06618	49.5
172.06940	1.5
179.05544	0.7
189.07698	0.8
209.91820	0.4
213.18658	1.0
237.92264	0.5
250.41359	0.5
305.25122	0.6
333.11777	1.3
341.26770	2.6
413.25235	0.9
439.16052	100.0
440.16458	9.5
457.16977	0.7
467.30099	5.5
468.30356	0.5
485.31158	3.5
503.25641	0.7
503.32327	9.2
535.31256	1.3
558.12573	0.5
611.34314	0.8
621.35638	0.5
647.36420	31.8
648.36841	3.8
665.37476	28.9
665.49182	0.7
666.37762	3.6
706.36725	1.6
707.37622	12.2
708.38312	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	707.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69175	0.4
55.01880	1.0
57.03440	0.4
59.01376	100.0
60.01706	1.1
66.79723	0.4
69.61454	0.9
69.61859	1.5
71.01376	8.9
73.02941	3.7
73.03248	0.4
83.01402	1.8
85.02950	4.8
89.02464	1.5
95.01371	0.4
96.95988	0.5
99.00896	1.5
101.02439	9.5
113.02435	4.0
143.03488	0.5
151.07715	0.7
152.08427	0.4
153.09219	2.6
159.03006	1.0
161.04546	4.4
172.50182	0.4
189.07663	0.6
205.12407	0.7
223.13364	1.0
235.11847	19.9
236.12285	1.3
277.12918	9.7
278.13422	0.7
385.18793	1.7
687.47961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03444	1.4
58.00604	1.4
59.01377	24.8
61.98827	19.1
69.03440	2.1
71.01381	21.9
71.50697	0.9
72.99305	1.6
73.02944	3.5
75.00885	0.7
80.48750	0.5
81.03432	0.7
83.01376	2.2
83.05016	1.2
85.02954	4.9
87.00885	4.1
88.98788	1.1
89.02442	19.2
90.86762	0.6
93.03391	0.7
95.01373	0.9
95.05025	0.6
97.02944	2.1
99.08130	1.1
101.02446	13.2
109.06570	2.5
111.08155	10.7
113.02455	6.4
119.03493	5.6
123.04526	6.2
125.02461	4.3
127.07652	12.4
128.07957	0.8
129.05605	1.0
131.03500	1.1
137.09703	0.9
138.03203	2.0
143.03488	4.0
147.04546	3.3
153.05568	23.0
153.09196	0.6
153.12796	1.0
154.05876	1.6
161.04562	3.6
165.12859	1.1
169.12303	4.6
171.06624	7.1
171.10242	1.5
177.12978	0.6
179.05611	4.0
179.10814	1.0
181.12311	1.8
183.13860	1.0
185.11734	0.7
195.28418	0.6
197.11816	46.1
198.12138	2.4
199.13388	2.8
205.93486	0.6
209.11897	1.2
210.95114	0.5
211.13379	6.1
221.06601	1.3
223.13373	0.7
223.29007	0.5
227.12886	1.6
235.08165	4.2
247.16985	0.6
247.20786	1.0
253.09111	1.2
263.07849	1.2
263.20212	2.9
273.18677	1.1
287.07828	0.7
291.19672	16.7
292.19962	1.5
305.08746	0.8
309.20691	100.0
310.21002	8.3
397.13455	20.0
398.13773	1.0
415.14554	34.0
416.14926	2.1
439.16071	21.0
440.16290	2.7
443.49258	0.6
485.30905	0.9
644.22388	1.2
647.36298	1.2
707.35492	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
57.03446	1.3
58.00599	0.6
59.01378	23.7
59.85172	0.5
61.98829	10.4
68.05609	0.5
69.03452	1.2
69.16261	4.3
69.16674	1.4
71.01377	17.2
72.99298	0.9
73.02954	2.6
75.00854	1.0
75.89280	0.5
77.23314	0.5
81.03424	0.8
83.01391	2.0
83.05009	0.7
85.02953	4.3
87.00879	2.8
88.95093	0.6
88.98789	2.7
89.02448	16.5
95.01401	1.7
97.02940	2.3
97.06574	0.8
98.20673	1.2
99.00894	1.2
101.02446	13.9
109.06598	1.7
111.08157	1.6
113.02456	8.0
113.09721	1.3
115.07658	0.9
119.03498	5.8
121.02924	0.6
123.04501	4.1
125.02458	3.6
127.07648	12.0
129.05606	0.6
131.03505	0.8
133.05083	0.6
135.03006	1.3
138.03218	1.8
141.01910	0.6
141.09235	1.3
142.22017	0.6
143.03474	1.9
147.04472	1.6
149.04587	0.7
153.05563	20.5
154.05943	1.0
161.04524	3.5
165.12849	1.6
167.10774	0.7
167.14406	1.4
169.12405	0.6
171.06627	8.1
179.05602	3.4
181.12390	2.7
193.12326	1.4
195.13902	1.6
197.11795	5.7
200.88618	0.5
209.11833	0.8
211.13405	3.2
213.14958	1.2
219.70860	0.5
221.06667	1.5
221.15442	1.9
224.13043	0.5
235.08275	3.7
247.20627	2.6
253.09274	2.1
273.18686	3.0
281.21167	0.9
287.07867	0.6
291.19644	28.6
292.19925	2.2
309.20697	100.0
310.21024	8.4
311.22104	1.1
317.51157	0.6
351.21933	0.6
397.13486	18.4
398.13959	1.1
415.08972	1.0
415.14569	19.9
416.14981	1.7
439.16074	21.5
440.16522	2.3
496.85449	0.7
545.32782	1.2
647.36212	0.8
707.23633	0.6
707.34857	16.3
708.35632	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	707.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
57.03442	5.2
58.00595	4.1
59.01377	100.0
60.01721	0.6
61.98827	18.1
66.15526	0.6
67.01859	0.9
69.03457	2.2
69.23092	5.5
71.01378	76.4
71.05016	1.5
72.99313	4.6
73.02946	18.4
74.02470	0.7
75.00876	0.8
81.03470	1.7
81.07114	1.0
83.01381	14.1
83.01826	1.0
83.05039	0.7
85.02944	33.6
85.06628	0.8
86.00103	2.5
86.03277	0.7
87.00866	7.5
87.04488	0.6
89.02443	26.7
95.01391	7.0
97.02964	4.0
97.06574	3.6
99.00876	9.0
101.02439	43.2
102.02776	0.9
109.06615	2.4
111.00860	4.4
112.01678	1.4
113.02448	33.1
114.02773	0.7
115.04023	0.8
119.03496	7.9
123.04532	4.4
124.01668	2.6
125.02441	7.9
127.07652	40.1
128.08020	1.2
129.01945	1.7
129.05597	1.3
131.03462	1.1
135.03050	0.6
138.03197	2.9
139.69771	0.6
141.01944	1.1
141.12883	0.8
141.32938	0.6
142.02707	0.6
143.03481	6.2
143.17854	0.6
149.04555	0.7
153.05566	27.2
154.05913	1.4
155.10789	0.7
159.02989	3.6
161.04555	8.8
171.06622	27.7
172.07040	1.4
179.05617	2.6
195.30876	0.6
211.17021	1.2
213.18585	2.7
225.18613	0.9
281.24936	1.4
284.37000	0.6
293.24857	2.1
302.22742	0.6
305.24750	4.5
311.25998	1.0
323.25922	1.5
341.26883	5.7
375.23730	1.2
413.25623	2.5
438.08475	0.7
439.16046	57.7
440.16422	7.8
449.29388	1.3
455.29706	0.8
457.17621	0.7
462.93225	0.6
467.30057	13.5
468.30353	1.4
485.31241	9.6
486.11911	0.7
486.31381	0.9
503.32275	22.7
504.32599	2.7
527.32361	1.7
545.33459	0.7
599.34808	0.8
611.34192	1.7
647.36414	98.3
648.36731	17.6
665.37494	94.4
666.37946	15.2
707.38300	16.5
708.38861	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
58.00588	0.3
59.01379	5.1
59.88585	0.2
61.05643	0.2
61.98844	1.7
67.50221	0.2
69.03462	0.6
69.79120	1.3
70.41663	0.2
71.01387	2.9
73.02966	0.5
77.39545	0.2
81.03462	0.3
83.01380	0.3
83.05045	0.3
85.02962	0.9
87.00880	0.4
89.02438	1.9
92.36371	0.2
95.01371	0.3
98.20629	0.5
101.02435	2.8
106.34761	0.3
113.02435	1.1
119.03505	0.8
121.47750	0.2
123.04536	0.6
127.07644	0.3
129.05589	0.4
145.05122	0.4
148.99042	0.2
153.05560	0.4
161.04553	1.4
162.79659	0.2
167.10747	0.2
167.14386	0.4
179.05681	0.4
183.13896	5.5
184.14352	0.5
193.12331	1.8
210.50569	0.2
211.13391	100.0
212.13737	5.0
233.22726	0.4
235.08228	3.3
243.56880	0.2
253.09286	8.6
254.09772	0.3
277.21713	84.3
278.22061	7.1
372.43866	0.3
429.21384	0.8
447.22327	3.2
447.28122	0.4
448.22552	0.3
513.30304	0.2
678.19824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42978	0.5
59.01369	2.2
69.50782	2.9
69.51178	1.1
71.01378	40.9
72.01718	0.8
72.99311	0.8
77.29929	0.6
85.02944	1.1
87.00878	0.8
93.03451	0.8
94.79577	0.5
95.05017	2.2
96.99310	8.1
99.00874	0.9
101.02436	1.2
105.03440	0.6
113.02460	1.0
115.00369	100.0
116.00694	2.2
119.05022	8.3
121.02991	1.4
123.04523	56.4
124.04866	1.7
133.01382	0.9
145.02913	1.2
149.02429	0.5
151.89783	0.6
155.16234	0.5
161.04533	1.9
161.66209	0.5
163.02715	0.9
163.04008	7.3
164.65410	0.4
175.02483	2.1
216.07262	0.6
218.30032	0.4
277.05649	3.0
279.05014	1.8
285.09830	1.3
307.08469	0.5
321.15536	1.2
357.42038	0.6
383.09808	68.5
384.10172	6.3
401.10828	13.3
402.10959	1.0
441.10217	0.8
447.09274	0.5
547.14520	10.1
548.14624	1.1
708.89240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40794	0.6
57.03445	13.1
59.01375	11.7
61.98829	17.2
66.86498	0.6
68.56561	0.7
69.91211	1.7
69.91598	1.1
71.01376	6.7
72.81739	0.8
73.02945	1.6
83.01367	1.3
83.05021	1.1
85.02946	3.3
87.00930	0.6
89.02458	1.9
95.05020	1.7
96.10663	0.7
97.02946	0.7
99.00896	0.9
99.04543	0.6
99.08156	68.0
100.08499	2.1
101.02454	3.0
101.06087	0.9
105.01949	3.0
109.06595	2.1
113.02431	3.0
119.03566	0.9
121.50230	0.6
123.04523	88.3
124.04870	2.3
127.07648	78.0
128.07994	3.0
129.05579	62.9
130.05942	2.0
138.03218	2.0
147.04485	0.8
149.02434	1.3
153.05571	66.4
154.05904	3.9
161.04553	2.4
163.04079	1.4
171.06625	16.8
172.06990	0.9
174.01758	0.7
189.07721	1.9
205.12325	0.8
249.11281	0.8
269.10278	7.5
285.09830	5.0
298.66623	0.8
365.23264	1.8
423.16785	1.2
439.16077	0.9
441.17618	100.0
442.17914	12.2
457.17126	21.6
458.17548	2.6
505.33673	1.3
558.42798	0.7
577.23340	0.7
649.38013	6.1
667.38788	4.3
709.39954	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	709.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.5
59.01379	23.9
61.98830	14.6
69.24556	5.2
69.24974	2.0
71.01386	10.2
72.99310	1.5
73.02939	2.7
75.00916	0.7
83.01354	1.1
83.05021	1.2
84.17665	0.8
85.02950	5.0
87.00864	1.4
89.02464	4.2
93.03494	1.0
95.05026	2.2
98.19936	1.7
99.00884	0.9
99.08159	67.3
100.08492	2.1
101.02436	7.7
105.01910	4.1
105.03410	1.1
109.06583	2.6
111.00854	1.2
112.93601	0.7
113.02434	5.3
115.00362	0.8
119.03492	1.9
123.04523	100.0
124.04876	3.4
125.02451	1.0
127.07652	92.8
128.07997	4.5
129.05580	45.8
129.85854	0.8
130.05896	1.0
138.03200	2.5
147.04555	2.3
149.02493	1.2
153.05573	96.7
154.05894	4.0
159.02960	0.9
161.04572	2.6
163.03926	0.7
171.06616	23.4
172.06917	1.2
179.05597	1.2
179.10728	1.0
189.07692	2.6
193.05052	0.8
205.12326	1.6
221.06764	1.4
269.10294	11.5
270.10648	1.4
285.09814	5.2
311.22388	1.0
355.14044	2.6
365.23447	4.6
423.16714	1.9
439.16391	1.2
441.17593	66.0
442.17941	8.4
457.17178	46.8
457.23770	1.5
458.17529	5.4
469.16537	1.1
487.33017	1.4
505.33994	1.5
505.73483	0.8
623.35779	1.0
649.37927	11.0
649.47662	1.1
650.38544	1.0
667.39044	6.3
709.40094	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	709.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03444	1.2
59.01377	100.0
60.01717	2.2
71.01381	21.8
71.50387	1.0
72.99293	0.8
73.02943	4.1
83.01392	2.0
85.02956	5.2
87.00916	1.1
89.02451	2.1
95.05029	0.8
96.96033	1.8
96.99325	1.8
99.00892	2.2
101.02435	10.0
113.02448	5.1
115.00364	33.7
116.00732	1.0
118.86526	0.6
119.03525	0.7
119.05014	4.3
123.04520	18.3
124.04890	1.0
129.05569	2.0
133.01431	1.0
150.58623	0.6
159.02963	0.8
161.04553	5.6
163.04019	2.7
164.62573	0.6
175.02483	2.4
189.07710	3.3
235.11852	18.2
235.14151	1.1
236.12170	1.0
277.05774	1.5
277.12881	7.0
285.03995	0.7
285.09415	1.1
288.32648	0.6
383.09821	24.8
384.10461	1.6
401.10870	1.5
709.19940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57017	1.1
55.01873	2.1
55.16528	1.2
57.03439	4.3
58.47733	1.1
59.01074	1.7
59.01382	59.0
61.98830	100.0
69.03457	1.6
71.01382	34.7
71.50707	1.6
72.99293	3.3
73.02953	8.8
75.00883	2.6
83.01398	5.3
85.02950	15.3
87.00886	3.4
87.68990	1.1
89.02445	11.7
95.01406	3.7
97.02944	2.9
99.00876	4.4
101.02445	23.2
107.07764	1.3
111.00882	3.6
112.01637	1.7
113.02472	11.1
119.03493	5.3
121.10142	1.4
123.04514	2.2
124.01662	2.3
125.02458	4.3
127.07670	9.8
128.07976	2.1
129.01906	1.6
129.05571	2.0
135.03011	8.7
143.03453	3.0
153.05576	5.6
154.05899	2.6
155.05939	1.4
159.03035	1.9
161.04541	4.8
171.06615	5.0
172.06964	2.0
184.99178	1.5
205.12436	2.0
310.21066	1.8
416.14053	1.2
439.16074	4.6
440.16290	4.5
441.16327	7.8
442.16763	2.1
461.31171	4.4
487.32693	5.4
505.33447	4.7
521.39728	1.3
535.21002	1.3
605.35400	27.0
606.35327	6.0
623.36499	23.2
624.36658	4.0
649.37836	29.7
650.38342	3.6
667.38898	20.7
668.39545	3.9
709.39850	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	709.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
57.03448	4.5
57.11118	0.5
58.00586	3.0
59.01377	87.2
60.01715	1.9
60.25827	0.5
61.01818	0.6
61.98829	20.5
61.99160	1.0
63.48866	0.6
67.01894	0.6
69.03471	2.4
71.01379	66.5
71.05010	1.3
72.01720	2.2
72.99309	3.9
73.01776	0.5
73.02943	17.0
75.00875	1.9
81.03458	1.1
83.01383	11.4
83.01877	0.6
85.02946	32.1
85.06580	0.6
86.00118	1.9
86.03280	0.9
87.00889	6.7
89.02443	24.0
94.79051	0.6
95.01379	6.1
96.01718	0.6
97.02921	4.0
97.06624	0.7
99.00886	6.8
99.36618	0.5
101.02440	42.9
102.02782	1.7
111.00880	5.5
112.01670	2.4
113.02442	32.1
114.02792	1.2
115.04030	0.9
119.03502	9.5
121.10229	2.1
123.04554	1.0
124.01678	2.4
125.02442	6.9
127.07656	6.1
128.07991	1.3
129.01950	1.5
129.05588	1.9
131.03506	0.8
135.02969	1.8
139.04033	0.7
141.01933	1.2
143.03499	5.3
147.04572	0.9
149.04498	1.4
153.05542	3.9
154.05945	1.2
154.48627	0.6
155.06139	0.6
159.02995	3.1
161.04550	8.5
162.04942	0.6
164.87576	0.6
171.06648	3.1
171.10283	0.5
172.06880	0.8
179.05626	2.9
185.15488	3.4
189.07706	2.2
193.05112	0.6
213.18552	0.8
236.65048	0.6
240.02399	0.5
307.63153	0.6
313.27402	0.5
325.27295	2.9
341.27036	1.0
343.28500	3.6
347.20642	1.4
359.20554	0.8
377.21661	1.5
439.16006	1.8
440.16156	3.2
441.16086	3.6
441.21500	2.4
468.30231	0.8
469.31329	1.5
487.32727	18.7
488.32938	2.2
503.32440	1.1
504.32538	0.7
505.33755	17.4
506.34299	2.0
529.33893	1.6
547.35126	0.8
571.35699	0.6
605.35583	1.1
613.35681	1.6
623.36285	1.3
648.36536	1.8
649.37872	100.0
650.38239	13.9
666.37390	1.7
667.38940	90.2
668.39404	11.0
709.39984	18.0
710.40320	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74589	0.8
57.03440	1.7
59.01376	7.6
61.98827	6.3
63.62550	0.9
70.19180	3.4
71.01380	7.0
73.02945	1.1
73.05499	0.8
83.04978	1.1
85.02951	1.7
89.02444	4.3
96.04472	0.8
97.06581	3.4
98.20014	1.0
101.02448	5.4
102.89845	0.9
113.02397	2.0
119.03552	1.0
125.02419	0.8
134.03755	1.1
135.04523	5.0
151.10100	1.4
151.11279	15.3
152.99631	0.9
161.04579	1.2
169.12344	100.0
170.12662	4.4
179.03516	5.7
179.04924	0.8
195.10268	3.2
211.13388	1.0
212.13615	0.9
213.11317	13.5
235.08215	1.4
253.09279	4.4
273.92468	0.9
277.21713	29.0
278.22012	3.5
302.03754	0.9
323.05878	1.0
431.19217	3.6
449.20197	9.4
616.14478	0.9
657.85150	1.0
672.05695	0.9
709.41693	91.6
710.42090	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.8
59.01373	1.1
61.98826	75.8
62.98542	1.4
67.15792	0.9
71.01381	1.7
76.37606	0.9
78.98587	1.1
79.95689	1.0
80.96510	11.1
85.02959	1.1
93.74406	0.8
94.98072	2.1
95.05032	4.6
95.78236	1.0
99.08154	29.4
101.06099	0.9
105.03446	1.4
114.86050	1.1
123.04516	100.0
124.04868	2.5
127.07642	55.0
128.07994	1.4
129.05573	58.6
130.05904	2.2
138.03191	1.2
148.99078	1.1
153.05563	38.5
154.05887	2.0
164.98579	1.2
171.06613	12.3
187.26599	1.0
189.07646	3.1
211.13365	1.7
225.00745	2.2
260.04416	0.9
269.24854	2.9
279.23325	4.8
440.55820	1.0
536.14435	1.2
537.33997	1.5
691.40088	1.8
709.38812	15.0
710.38934	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	709.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01376	9.3
59.57695	1.3
61.98822	10.1
71.01385	6.3
71.50736	1.8
71.51118	2.0
73.02895	1.4
83.05023	3.0
85.02940	4.0
89.02451	3.5
95.05027	1.7
97.06588	4.7
101.02427	6.2
112.02692	1.7
113.02441	3.6
116.47028	1.4
151.11272	21.9
161.04532	1.6
169.12328	59.8
170.12590	2.2
173.11099	1.5
181.86664	1.6
195.10284	6.2
211.13420	1.7
213.11266	7.5
217.12497	1.6
235.08133	2.5
253.09367	3.9
277.21695	71.1
278.22079	7.7
279.23218	2.4
319.35428	1.6
385.27771	1.6
431.19272	2.6
449.20209	3.2
469.67621	1.7
552.32373	1.7
580.32483	1.8
626.86017	1.8
709.41681	100.0
710.41907	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	710.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85183	0.3
59.01381	0.7
61.64671	0.3
61.98827	100.0
71.49845	0.4
71.50221	0.5
76.33557	0.3
78.95919	0.4
86.41460	0.4
95.89217	0.4
118.84418	0.3
129.05582	0.6
139.04007	0.7
147.36121	0.3
189.07755	1.0
276.04745	0.3
277.21649	0.5
278.22064	0.5
279.23151	0.5
501.39877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43610	0.4
56.77909	0.4
57.03441	0.4
59.01374	1.1
61.93346	0.4
61.98824	100.0
71.49748	0.6
71.50162	0.5
78.95885	0.5
96.38560	0.4
115.47162	0.4
117.84976	0.4
123.04514	1.1
129.05589	0.9
162.18468	0.5
173.32085	0.4
208.55557	0.4
242.97548	0.5
279.23239	0.8
506.64014	0.6
732.56769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12981	0.3
57.41169	0.4
59.01381	0.8
61.98827	100.0
70.57298	1.1
81.06052	0.4
88.40527	0.3
91.84763	0.4
112.98621	0.5
128.66551	0.3
218.56697	0.4
279.23157	0.6
395.98071	0.4
457.66769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29009	0.6
59.01370	2.4
70.01961	2.8
70.61956	0.6
71.01377	34.7
72.99300	4.2
85.02948	0.8
87.00892	0.7
89.02444	0.9
91.32985	0.6
93.03456	14.4
95.05008	1.0
96.99303	5.8
101.02430	1.1
113.02466	1.3
115.00365	68.2
116.00692	1.9
117.03487	1.2
119.05019	19.5
121.02946	2.1
123.04516	52.6
124.04865	1.6
130.04225	0.8
131.05014	3.1
132.05751	0.8
133.01422	4.6
133.02972	2.5
143.05013	12.9
143.65581	0.6
144.05428	0.8
145.02943	1.7
145.06593	0.9
159.04446	0.8
161.04562	2.8
163.03990	10.3
167.03493	0.8
171.04449	1.4
195.04553	0.7
211.07574	3.3
221.09750	1.1
223.07605	1.7
235.07613	2.4
237.09192	6.9
238.09567	1.0
239.10767	2.8
265.08658	13.5
266.08960	1.2
277.05573	2.4
283.09671	7.2
285.09744	4.7
297.86743	0.7
309.07629	3.6
310.08200	0.8
327.08704	100.0
328.09064	9.6
339.08826	0.7
369.13504	0.8
383.09787	42.5
384.10126	4.2
401.10849	22.6
402.11145	2.0
577.41785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04553	1.3
55.01860	2.7
55.59453	1.1
57.03445	2.5
58.00579	2.3
59.01379	62.6
61.98837	1.6
71.01379	59.9
71.50399	1.3
72.01702	1.7
72.99313	3.4
73.02948	4.6
81.66402	1.4
83.01385	4.1
85.02948	17.8
87.00874	4.9
89.02435	36.2
93.03439	1.9
95.01387	6.5
96.99314	2.4
97.02937	1.9
99.00838	1.6
101.02433	32.0
102.69353	1.2
113.02444	28.6
115.00365	31.3
115.04092	1.1
116.00686	3.6
117.00752	1.2
117.03456	1.3
119.03490	14.6
119.04955	5.9
123.04519	17.5
124.04834	3.3
125.02479	2.1
133.01395	1.5
135.70433	1.3
137.09726	1.6
143.03459	4.3
143.05061	1.6
145.02957	9.5
161.04591	7.5
163.04012	3.4
179.05617	6.9
187.04123	1.6
207.13995	1.3
324.83246	1.4
325.09305	4.5
327.08728	10.8
383.09818	13.4
384.10062	9.2
385.10461	7.7
401.10858	4.7
403.20758	1.2
531.24573	3.2
549.25385	16.7
624.32056	1.4
667.15332	1.8
711.30798	100.0
712.31012	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	711.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	16.9
68.04655	4.6
70.51716	12.0
71.01374	18.2
76.28168	5.6
87.00881	4.7
89.02431	11.3
90.23949	5.9
98.53031	5.5
99.21413	4.7
101.02408	14.9
110.35936	6.3
125.02449	5.5
129.95811	4.7
221.06685	4.8
235.08156	5.2
239.28038	5.3
264.03592	5.6
272.34726	5.9
277.21713	46.5
305.08923	5.5
307.57458	5.6
356.61087	6.1
366.81726	5.9
397.13495	100.0
398.13736	9.8
415.14676	39.2
458.99661	5.6
675.35931	6.7
711.33075	37.4
712.32562	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	711.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.0
61.98836	15.3
63.03315	2.4
63.34348	2.9
66.05483	2.5
71.01382	27.0
73.02934	4.1
85.02943	6.1
87.00889	13.4
89.02453	22.5
95.69514	2.9
97.02946	5.1
101.02447	15.6
109.19422	2.4
113.02462	10.2
113.16563	2.6
119.03500	8.5
123.80972	2.4
125.02466	8.6
139.94933	2.5
143.03523	2.5
152.20763	2.4
161.04520	4.8
179.05663	3.9
229.88873	3.1
235.08215	8.9
241.05127	5.4
244.67583	2.4
253.21738	77.3
254.21988	5.6
305.08859	5.8
362.32062	2.6
372.24268	2.5
397.13544	100.0
398.13742	5.3
404.65332	2.6
415.14563	24.1
437.41711	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	713.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	0.3
59.01105	0.5
59.01377	5.2
60.99303	16.6
61.98827	8.3
69.38879	0.3
71.01376	2.1
71.50699	0.3
73.02929	0.4
75.00872	0.5
85.02934	0.8
87.00867	0.5
88.98801	100.0
89.02427	2.3
89.99162	0.9
93.03448	0.3
96.95931	0.4
99.08149	0.8
101.02420	0.6
105.01882	0.4
109.02978	0.6
111.00837	0.3
113.02429	0.8
115.00368	0.5
119.05019	0.8
123.04536	0.9
127.07683	0.9
129.05571	0.8
150.03159	0.3
153.05595	0.8
161.04604	0.5
163.03958	0.5
165.05472	0.4
195.06563	0.4
233.86597	0.3
237.06102	0.3
295.19781	0.3
311.11371	1.0
508.20816	0.4
713.26025	0.4
713.47601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2599
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
52.86792	0.4
59.01367	0.8
61.98835	1.3
70.98067	1.1
84.09660	0.4
89.03968	1.4
93.03447	0.8
95.05016	0.4
100.75490	0.4
104.02680	0.4
105.03455	1.4
106.04256	0.9
108.56479	0.4
109.02926	0.7
117.03469	5.7
119.05027	4.1
121.02950	2.6
122.03832	0.5
123.04549	0.4
132.02173	9.4
133.02957	13.3
134.03738	77.1
135.04541	28.0
136.01668	1.1
136.04863	1.0
137.02437	7.2
137.03406	0.7
139.03987	2.2
145.02991	0.6
147.04510	3.4
148.05270	2.5
149.06070	6.0
150.03255	0.8
150.06378	0.7
153.05562	0.7
159.04562	0.6
160.01653	23.6
161.02437	15.7
162.03020	0.8
163.03987	0.5
175.03990	19.1
176.04329	1.2
178.02702	7.1
179.03484	16.8
180.03767	0.8
181.05060	0.4
185.11819	0.7
187.07724	0.5
191.03421	0.9
192.04274	0.5
193.05037	29.9
194.05357	1.6
195.97382	0.4
201.11334	1.0
203.05682	0.4
207.06538	3.2
230.31139	0.4
240.26741	0.4
266.89047	0.4
297.27231	0.4
309.20859	0.6
328.12689	0.4
369.13336	1.6
383.14944	1.7
467.21149	0.4
505.18661	2.2
519.20105	2.5
520.20447	0.6
537.21393	3.8
538.21466	0.6
698.23804	1.0
713.25958	100.0
714.26294	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30224	1.4
59.01356	5.9
61.51767	1.7
61.98528	2.1
61.98828	19.5
71.50314	3.2
83.14594	1.6
89.03954	3.5
93.84392	1.4
117.03445	4.1
119.04999	1.9
121.02954	3.2
132.02148	7.6
133.02968	12.4
134.03741	70.3
135.04547	25.2
136.04762	1.8
137.02370	7.5
139.03999	2.7
147.04504	3.0
149.06033	5.1
160.01659	20.3
161.02409	14.8
165.05510	2.8
175.03987	16.5
178.02725	7.5
179.03502	15.3
185.11819	5.2
187.70073	1.6
193.05067	23.4
199.13237	1.7
207.06519	3.0
253.09161	2.8
291.19724	1.9
293.21320	2.8
309.20880	2.1
369.12930	1.8
451.15674	1.8
479.14600	2.8
494.17331	6.9
509.19586	25.6
510.20154	4.4
519.20166	3.4
537.21069	3.6
698.23981	1.9
713.25970	100.0
714.26129	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	713.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29020	0.5
59.01369	0.9
60.46715	0.5
61.98817	2.2
69.56332	3.5
73.27689	0.6
89.03960	1.9
98.19943	1.2
105.03466	1.0
106.04218	1.1
117.03458	5.1
119.05028	3.3
121.02937	2.4
132.02168	8.6
133.02960	14.0
134.03737	73.2
135.04544	25.6
136.01669	1.1
136.04849	1.4
137.02437	6.7
139.03992	1.8
139.79691	0.6
145.02962	0.8
147.04553	3.7
148.05258	2.6
149.06096	5.4
150.03227	1.2
160.01654	23.8
161.02437	15.8
161.06067	0.6
162.02696	0.7
173.06030	1.1
175.03996	18.0
176.04198	0.6
178.02707	7.8
179.03491	18.4
180.03770	0.6
185.11790	1.2
187.07489	0.7
193.05042	25.1
194.05380	0.7
201.11278	3.6
207.06625	3.5
211.13422	0.6
219.06683	0.8
253.09134	1.2
265.75607	0.5
293.21152	2.5
328.13321	0.6
369.13342	1.3
383.14902	2.2
466.28036	1.6
505.18353	1.3
519.20123	2.6
525.00189	0.6
537.21289	4.5
538.21112	0.6
670.34741	0.8
698.23804	1.4
713.25958	100.0
714.26300	22.0
714.36945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01377	100.0
60.01719	1.7
61.33742	0.6
61.98833	4.8
69.30477	2.2
69.30903	3.3
71.01376	10.4
73.02956	3.2
83.01395	1.6
85.02953	5.4
87.00899	1.2
89.02435	3.6
95.01417	1.3
96.96021	2.7
99.00875	1.3
101.02438	12.6
113.02451	6.3
119.03526	1.3
119.05037	1.0
135.06636	0.7
161.04576	4.6
163.04057	1.5
207.24399	0.7
221.10280	22.9
222.10634	1.2
251.10849	0.9
263.11328	12.3
264.11722	1.1
293.12723	0.9
313.11206	0.8
315.09668	0.8
318.00262	0.8
493.81085	0.8
566.12817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
61.98825	16.3
67.48729	7.0
71.01377	14.4
71.50707	12.5
78.95875	7.2
86.57098	6.3
89.02439	18.1
101.02437	16.7
101.19512	6.9
125.02454	9.9
129.93417	6.2
148.83472	6.7
150.62257	7.1
152.99593	7.2
185.47493	6.0
279.23285	56.7
347.54184	6.7
397.13422	100.0
398.14111	7.9
410.79135	6.5
415.14633	24.5
483.66705	7.1
535.01630	7.7
579.09564	6.9
615.33972	7.4
713.34900	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94394	5.5
59.01372	20.0
59.81538	5.8
61.98830	27.1
64.89005	5.7
71.01385	16.0
71.50404	6.5
71.50785	7.6
78.95898	11.5
89.02448	14.5
101.02449	7.8
135.05534	5.5
152.99628	5.0
162.13057	5.6
199.09781	6.9
239.94911	6.2
277.21732	8.9
279.23300	52.4
397.13492	100.0
398.14209	6.2
415.14523	28.3
713.35413	40.0
714.35706	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	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98823	0.8
70.98622	0.6
100.03514	0.5
105.63316	0.6
211.95735	0.5
216.15703	0.5
276.67694	0.5
283.26459	0.5
349.52255	0.6
401.65958	0.7
574.50787	0.7
671.13812	0.7
677.49689	2.8
713.47308	100.0
714.47687	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	714.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90314	0.3
59.01379	0.4
61.98826	100.0
71.01412	0.3
71.50468	0.3
93.03481	0.4
113.52924	0.3
114.86831	0.3
120.01240	0.7
183.04611	0.4
211.03993	0.4
227.03514	0.7
253.82455	0.3
255.02992	7.5
256.03583	0.3
260.13232	0.3
275.59415	0.4
283.02457	19.1
284.03085	2.5
285.04037	13.9
286.04413	0.8
288.11346	0.4
297.04282	0.3
301.84961	0.4
327.05148	0.6
446.08502	2.6
447.09369	3.2
448.09219	0.4
489.10226	3.7
490.10889	0.4
509.97165	0.4
531.11212	0.4
614.16388	0.3
651.15607	18.0
652.15985	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	714.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07966	0.1
59.01379	0.3
61.98826	100.0
62.98540	0.1
71.01395	0.1
71.50726	0.2
89.02454	0.1
93.03545	0.1
101.02471	0.1
254.22034	0.1
297.55307	0.1
385.01291	0.1
397.13879	0.1
398.14008	0.2
399.14145	0.2
596.86835	0.1
679.68726	0.1
735.64044	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	714.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20025	0.1
59.01377	1.3
61.98826	100.0
62.98521	0.2
69.23898	0.3
69.24308	1.0
71.01384	0.9
85.02937	0.2
88.98827	0.4
89.02460	0.3
93.58499	0.1
99.08206	0.2
101.02467	0.4
107.36811	0.1
110.51828	0.2
113.02421	0.2
119.05014	0.2
121.37209	0.1
123.04539	0.4
127.07629	0.3
129.05582	0.3
147.04500	0.3
153.05571	0.3
170.37054	0.2
172.00098	0.1
174.01953	0.2
218.78986	0.1
234.37207	0.2
237.16193	0.2
274.52023	0.1
410.93845	0.2
446.23810	0.2
519.56030	0.1
714.37531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45188	0.4
59.01360	1.8
59.01615	0.4
61.98818	0.6
64.73560	0.4
71.01363	1.2
71.50446	0.6
76.12534	0.4
76.46321	0.4
86.91258	0.4
93.03444	2.8
107.43661	0.4
108.27244	0.4
112.04523	0.5
115.00339	1.2
116.92836	1.6
117.03454	1.0
119.05050	0.6
123.04527	1.3
127.05205	0.4
133.02933	1.3
143.05040	0.9
143.07166	0.5
145.02899	1.6
153.05629	0.5
159.61766	0.4
163.00363	0.9
163.04005	0.8
170.06650	0.5
171.04497	1.0
183.04477	0.7
199.03909	0.5
201.61784	0.4
211.04024	1.3
213.05492	1.3
225.05528	0.7
227.03493	9.1
228.03970	1.0
239.03482	1.8
240.04082	0.8
241.05003	1.8
255.02927	3.4
256.03467	0.5
257.04556	1.7
267.02850	1.2
268.03738	1.5
269.04443	2.4
284.03143	0.5
285.04007	1.3
289.08636	0.6
297.03970	1.1
305.08054	0.5
316.89011	0.5
317.08093	0.9
327.05331	0.5
327.08841	2.4
333.07663	39.2
334.08014	5.4
345.07574	1.2
353.23352	0.4
361.07175	16.8
362.07755	4.3
375.08740	0.5
389.06674	11.3
390.07431	37.9
391.08179	32.6
392.08490	3.0
394.06750	0.4
403.08240	1.7
432.08548	1.9
433.09235	5.0
486.52475	0.5
552.12909	1.5
553.13495	100.0
554.13782	15.7
595.14661	6.0
596.15747	0.5
715.18750	6.1
716.19147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.04428	0.5
61.98816	1.8
71.01366	1.5
74.27713	0.5
75.53892	0.5
85.02914	0.6
93.03472	2.9
100.37196	0.6
101.02451	0.6
102.96526	0.6
113.02483	0.5
115.00373	1.7
116.92860	2.0
117.03490	0.8
119.05004	1.3
123.04523	1.1
133.02942	1.0
143.04990	0.6
145.02979	1.2
153.05524	0.6
163.00294	0.7
163.04021	0.7
171.04460	1.1
183.04501	1.0
196.41127	0.5
198.29060	0.6
211.04008	1.2
212.54471	0.6
213.05624	1.1
227.03496	8.6
228.03917	0.9
239.03448	2.0
241.05038	2.0
253.04961	0.7
255.02982	2.9
257.04510	2.0
267.02905	1.2
268.03653	1.6
269.04602	2.6
285.04031	0.7
289.08923	0.7
297.03799	0.7
308.31625	0.6
327.08807	3.0
333.07669	41.1
334.08017	4.0
345.07755	0.8
361.07138	16.5
362.07690	5.4
389.06668	11.5
390.07413	38.8
391.08142	35.6
392.08499	3.2
403.08191	1.7
408.48828	0.6
432.08539	0.9
433.09271	4.8
552.12689	1.7
553.13501	100.0
554.13867	15.1
595.14471	6.3
596.15082	1.0
646.84210	0.7
689.24573	0.7
715.19061	6.4
716.19226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21883	0.3
50.49795	0.3
57.03450	1.2
59.01376	1.0
65.00766	0.4
69.50951	1.0
69.51349	1.2
73.69446	0.4
74.91595	0.3
81.03465	0.9
83.04547	0.4
99.08156	11.1
106.98206	0.3
116.08046	0.3
122.03748	0.9
123.04594	0.4
125.02449	1.6
127.07655	12.7
128.08017	0.7
129.05580	48.2
130.05893	1.6
145.08720	2.1
151.00444	0.5
153.05536	0.4
171.06650	2.2
173.06075	0.7
189.07683	100.0
190.08025	4.4
195.08157	0.6
213.09209	3.1
239.07158	1.3
257.08182	16.6
258.08524	1.0
308.94455	0.4
419.13452	1.5
641.59760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58513	2.1
52.77855	2.3
59.01374	23.8
61.98826	65.0
63.26493	1.9
71.01368	4.3
98.20651	7.6
101.02457	3.5
108.02177	5.0
109.02970	5.2
113.02407	3.2
120.05792	8.1
121.02962	19.4
123.04521	6.1
127.07669	4.0
135.04503	3.4
135.08163	25.4
137.02419	2.4
145.02913	7.6
147.04507	3.0
148.05264	3.0
149.06070	2.5
153.05569	2.5
159.04492	5.3
162.06807	2.0
165.05510	2.3
177.05450	2.3
185.05975	2.4
191.07112	4.0
197.06068	2.7
203.07117	3.9
225.05515	3.2
235.84033	2.4
237.05544	3.9
239.07182	3.5
240.04410	2.9
241.04875	3.1
247.07521	3.7
249.05278	2.8
249.09441	2.5
251.07083	6.7
253.05075	4.5
254.05905	4.2
256.07416	2.7
257.04538	3.4
261.05432	4.3
263.07114	5.1
265.05057	2.1
266.05884	4.9
267.06552	23.5
268.07245	7.9
269.08148	6.2
271.09698	4.8
275.07080	5.6
278.05829	3.5
279.06635	12.0
280.07291	4.1
281.04596	5.7
281.08066	8.5
282.05554	3.7
282.08929	21.4
283.06320	2.9
283.09656	7.5
290.05869	3.3
291.06549	7.0
292.07401	4.1
293.08167	5.1
294.08926	9.7
295.09631	3.9
296.06851	11.3
296.10156	4.8
297.07669	15.3
297.11301	28.5
303.06592	6.3
304.07214	2.6
305.08154	4.8
306.08768	2.4
306.50146	2.7
307.09720	7.6
308.10184	2.3
309.11264	11.4
311.09192	19.5
312.09869	4.8
319.09726	5.2
321.11240	4.4
322.12320	2.5
323.12708	3.1
327.12363	11.8
334.12125	3.8
339.12469	4.9
349.14362	5.6
355.15381	2.5
357.13492	7.9
367.15442	4.5
377.14291	2.4
457.28015	11.2
458.17743	2.3
467.14972	3.0
475.29367	12.7
513.18542	2.3
574.15601	2.5
589.18866	16.3
590.18860	4.6
601.18707	13.8
602.19238	3.2
604.20874	14.2
605.20721	3.1
607.23303	40.9
608.23553	8.0
616.20996	4.6
619.23370	100.0
620.23505	19.3
631.23401	38.4
632.23676	6.6
637.24341	17.8
638.25079	3.5
649.24725	13.7
655.25781	11.6
656.25250	3.7
661.24005	6.2
667.25409	80.1
668.25586	18.6
679.25409	76.7
680.25641	15.5
685.26721	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	715.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30096	0.4
57.03442	1.4
58.00599	0.5
59.01382	20.9
61.98538	0.7
61.98834	9.4
68.99804	0.5
71.01386	10.9
72.99289	1.1
73.02948	4.6
78.95934	0.4
83.01369	1.7
83.38348	0.5
85.02943	3.8
86.00102	0.4
87.00889	2.4
89.02444	3.7
94.39053	0.4
95.01414	0.7
99.00880	1.4
99.08162	0.7
101.02437	7.3
106.92712	0.4
113.02456	3.5
119.03521	1.6
119.04921	0.6
121.60229	0.4
123.04515	2.0
124.34527	0.5
125.02408	1.1
127.07656	1.2
129.05528	0.6
129.25995	0.4
143.03474	1.2
145.67439	0.5
153.05554	1.4
161.04555	0.5
171.06633	0.5
173.06117	0.4
174.35298	0.4
181.12331	3.1
199.13376	2.8
216.37364	0.4
229.67285	0.6
253.14439	0.5
257.04544	0.7
267.37643	0.5
338.06989	0.4
343.17560	9.8
344.17905	1.1
361.18661	37.4
362.19000	3.7
403.19705	100.0
404.20056	7.6
447.22653	0.6
457.17032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56826	2.7
59.01379	6.2
61.98827	45.4
70.11581	2.5
71.01398	2.9
77.42467	2.4
78.95901	85.6
89.02483	5.2
92.74616	3.2
94.86493	2.9
96.96959	4.8
98.19869	6.7
101.02448	5.7
124.35497	2.6
150.97920	2.8
152.99576	100.0
166.87273	2.5
176.65526	2.8
231.24664	2.8
235.08188	3.3
281.24783	15.8
397.13535	29.3
415.14313	3.6
715.36310	36.8
716.36945	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	715.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56826	2.7
59.01379	6.2
61.98827	45.4
70.11581	2.5
71.01398	2.9
77.42467	2.4
78.95901	85.6
89.02483	5.2
92.74616	3.2
94.86493	2.9
96.96959	4.8
98.19869	6.7
101.02448	5.7
124.35497	2.6
150.97920	2.8
152.99576	100.0
166.87273	2.5
176.65526	2.8
231.24664	2.8
235.08188	3.3
281.24783	15.8
397.13535	29.3
415.14313	3.6
715.36310	36.8
716.36945	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	715.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53214	0.9
57.03438	1.9
59.01376	46.6
60.01704	0.9
61.98832	30.9
62.28244	0.9
69.44659	7.8
71.01382	9.6
72.99294	1.0
73.02934	2.4
73.47611	0.9
74.07356	0.9
83.01390	2.7
85.02953	5.1
88.98775	1.7
89.02411	2.0
91.02267	1.0
95.01417	1.2
99.08163	1.1
101.02436	6.6
102.05291	1.0
113.02431	4.0
120.05807	25.1
121.02935	1.8
123.04495	3.8
127.07609	1.5
129.05562	1.4
133.21848	1.0
135.08156	100.0
136.08487	4.3
137.09674	1.3
151.07585	2.3
153.05528	3.2
157.12277	1.4
161.04538	1.9
163.11293	1.2
171.06540	1.9
173.11845	1.3
189.07637	1.3
257.04602	1.8
267.06650	2.9
282.05219	1.5
294.09021	1.6
296.06989	1.7
297.07629	1.4
297.11221	2.8
303.06650	1.2
311.09167	1.7
313.23804	2.7
327.12173	1.5
349.14520	1.5
439.26627	2.2
447.25620	1.4
457.28036	41.1
458.28351	5.8
467.33066	1.4
475.29050	40.0
476.29367	6.8
517.30035	1.8
575.35541	2.3
589.18793	1.6
593.36969	7.3
604.20929	1.4
607.23260	3.6
611.38086	7.7
616.21136	1.5
619.23309	9.1
620.23547	2.9
629.39044	3.0
630.38953	1.2
631.23145	4.2
632.22937	1.3
649.24524	1.4
655.25287	1.6
667.25323	7.4
668.25879	3.0
671.39832	11.3
672.40625	2.6
679.25421	8.5
680.25922	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	716.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23975	0.1
59.01370	0.2
59.86889	0.1
61.98827	100.0
62.98545	0.1
70.25970	0.2
70.26366	0.2
71.01412	0.1
98.20667	0.1
152.74883	0.1
256.23837	0.1
282.28983	0.1
356.49017	0.1
398.13922	0.1
399.14200	0.2
400.14346	0.2
417.15063	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16935	0.1
58.19803	0.1
59.01371	0.3
61.17876	0.1
69.16835	1.1
71.01340	0.1
77.97791	0.1
79.95734	3.3
96.51881	0.1
96.96008	100.0
97.93108	0.3
97.95930	0.4
98.20770	0.2
101.02433	0.2
113.92628	0.7
114.93409	0.4
115.00344	0.1
123.04508	0.2
127.07606	0.1
138.03212	0.1
153.05579	1.4
171.06631	0.2
171.09474	0.1
263.28445	0.1
324.28778	0.1
363.49411	0.1
439.16095	1.2
619.22778	0.3
717.15094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30969	0.3
50.97610	0.2
53.06080	0.3
57.03442	9.3
59.01370	1.3
61.98812	0.7
62.87387	0.3
67.62016	0.3
69.65049	0.3
70.91904	0.6
77.03960	0.4
77.27956	0.3
83.05040	0.5
85.06602	0.4
93.03464	0.5
95.05013	3.6
99.08150	29.9
100.08497	0.9
100.96680	0.3
101.06135	0.4
105.03456	1.7
108.47859	0.3
109.06596	0.9
121.02917	0.9
123.04514	100.0
124.04851	3.3
127.07643	50.1
128.07951	1.6
129.05569	58.4
130.05901	1.8
130.07584	0.3
138.03189	1.4
149.02434	1.1
153.05562	39.7
154.05908	1.4
171.06604	12.2
172.06984	0.5
189.07664	2.6
231.20360	0.3
263.35187	0.3
277.21716	2.3
291.22925	0.4
343.26236	0.3
545.31293	0.6
699.37616	1.2
717.38470	3.0
718.38794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24432	0.3
55.18098	0.3
57.03444	8.2
59.01374	0.9
61.98839	1.4
68.32106	0.3
70.06979	0.9
77.03961	0.6
78.95874	0.3
81.07101	0.4
83.05009	0.4
85.02931	0.6
87.06074	0.3
93.03444	0.5
95.05004	4.1
98.19866	0.3
99.08149	32.9
100.08483	0.6
101.06049	0.4
105.03452	0.9
109.06572	1.1
121.02918	0.7
123.04514	100.0
124.04854	2.8
127.07640	59.3
128.07965	1.9
129.05569	59.4
130.05911	1.4
138.03163	1.3
149.02431	0.7
152.99562	0.5
153.05560	37.6
154.05901	1.3
171.06602	16.1
172.06963	0.7
189.07634	2.1
277.21686	10.7
278.22000	1.1
291.23328	0.5
317.92520	0.3
319.22763	0.4
330.87000	0.3
545.31213	1.1
699.37616	0.7
700.38318	0.3
717.38330	3.9
718.38611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.7
59.01364	2.0
61.98824	6.9
71.50101	0.9
71.50487	0.8
83.05021	0.8
95.05011	4.1
99.08149	27.5
103.95040	0.7
105.03453	1.0
121.02952	1.5
123.04517	100.0
124.04844	3.1
127.07647	47.1
129.05571	38.9
130.05942	1.4
149.02499	0.9
153.04317	1.7
153.05559	36.2
154.05827	1.1
171.06627	10.9
179.80193	0.8
189.07605	1.1
255.23389	1.6
277.21628	4.0
451.33725	0.7
717.38263	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	719.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01373	8.2
61.98808	1.0
67.05363	0.9
70.79066	2.2
71.01383	7.3
72.99313	1.2
79.95714	3.8
81.37789	1.2
81.95295	1.2
87.00866	1.8
89.02421	1.3
96.96006	81.9
97.95895	1.6
98.95570	43.6
98.96400	7.8
99.00862	2.2
99.08127	4.6
99.92580	61.1
100.92590	3.2
100.93343	6.5
101.02435	1.6
109.02854	1.1
111.00875	2.1
112.92731	1.0
115.00369	1.3
115.92072	100.0
116.92126	4.4
116.92854	59.6
117.92874	1.5
117.93674	1.2
119.04968	1.1
121.02978	1.4
123.04508	5.0
125.02387	1.6
126.94910	2.6
127.07625	9.6
129.05547	3.4
141.93587	4.4
142.94351	4.0
153.01927	1.5
153.05580	8.7
153.59735	1.0
154.05850	1.4
163.03893	1.1
168.95918	2.4
169.93021	4.7
170.93900	5.3
171.06616	4.9
184.95428	3.8
196.95392	2.2
199.00656	1.5
212.94878	3.2
216.98004	1.2
225.99307	1.3
226.96478	3.3
227.00130	2.1
242.95953	7.7
242.99609	3.2
243.96690	4.6
244.97607	7.5
254.99519	3.1
260.96994	3.3
261.97498	2.0
278.98083	4.0
294.53860	1.1
297.00595	1.2
351.12860	2.8
417.05060	5.5
461.09320	1.3
464.83322	1.2
465.80655	1.2
493.08185	2.5
521.07251	1.8
523.08868	6.3
524.08960	1.7
535.80096	1.2
538.07910	1.2
539.08716	1.6
683.12567	4.1
719.14697	38.1
720.15186	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	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.1
71.48832	7.2
89.02475	7.6
111.08807	5.3
111.90199	5.0
123.88171	5.1
144.67844	5.4
341.10928	27.9
377.08514	100.0
378.08923	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	719.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
57.03453	1.4
58.00588	2.5
59.01376	71.0
61.98826	18.3
69.16485	6.1
69.16906	3.7
70.36471	0.9
71.01378	43.5
72.99310	2.9
73.02939	2.0
81.07085	2.5
83.01354	2.3
83.05039	1.4
85.02947	7.3
87.00857	3.4
87.04499	1.9
89.02441	61.6
90.02719	1.0
95.01366	3.4
95.05013	1.4
96.96001	1.1
98.20687	2.3
98.37260	1.1
101.02440	23.1
101.03091	1.4
109.06605	5.1
113.02435	22.3
115.00383	2.2
116.92863	1.8
117.05581	5.2
119.03492	24.6
119.04892	2.3
123.04520	27.5
124.04841	1.2
125.02405	1.2
127.07636	14.8
129.05579	3.5
131.03452	3.6
138.03203	4.8
143.03473	7.8
149.04564	1.8
153.05566	100.0
154.05893	3.4
161.04547	9.2
163.03969	2.5
171.06587	8.5
172.30521	1.3
179.05600	41.0
180.05983	1.6
184.07426	1.0
285.09851	1.4
320.59161	1.1
327.10757	2.1
365.17886	2.4
381.89267	1.3
389.18024	1.2
407.19437	1.3
439.16040	8.7
451.18146	2.2
473.54028	1.1
539.21442	9.1
540.21460	1.4
568.47314	1.1
683.38501	6.1
719.26239	2.7
719.36261	3.6
723.02045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42552	0.5
59.01381	8.3
61.98834	2.9
71.01377	3.6
71.50627	0.4
71.51051	0.5
73.25072	0.4
76.85557	0.5
81.07085	3.2
82.17603	0.5
83.05022	1.0
83.10647	0.5
85.02956	0.9
86.28479	0.5
89.02460	3.3
94.04242	0.7
95.05035	1.4
101.02477	1.3
103.94518	0.5
105.03423	0.6
109.06600	4.7
112.98679	0.4
113.02465	1.1
115.00352	0.4
117.05584	0.8
119.03497	0.8
121.02950	0.7
123.04526	50.0
124.04853	2.0
127.07658	15.3
138.03229	7.2
143.03444	0.5
153.05579	100.0
154.05927	4.6
159.57939	0.4
171.06628	9.0
179.05635	1.1
180.24449	0.5
200.64943	0.6
247.05481	0.5
269.13947	0.6
270.14157	1.1
273.03464	0.9
327.10904	1.8
439.15790	0.6
481.17181	1.5
521.20587	0.7
539.21289	34.9
540.21643	5.9
719.27692	3.1
723.02704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
57.03453	1.4
58.00588	2.5
59.01376	71.0
61.98826	18.3
69.16485	6.1
69.16906	3.7
70.36471	0.9
71.01378	43.5
72.99310	2.9
73.02939	2.0
81.07085	2.5
83.01354	2.3
83.05039	1.4
85.02947	7.3
87.00857	3.4
87.04499	1.9
89.02441	61.6
90.02719	1.0
95.01366	3.4
95.05013	1.4
96.96001	1.1
98.20687	2.3
98.37260	1.1
101.02440	23.1
101.03091	1.4
109.06605	5.1
113.02435	22.3
115.00383	2.2
116.92863	1.8
117.05581	5.2
119.03492	24.6
119.04892	2.3
123.04520	27.5
124.04841	1.2
125.02405	1.2
127.07636	14.8
129.05579	3.5
131.03452	3.6
138.03203	4.8
143.03473	7.8
149.04564	1.8
153.05566	100.0
154.05893	3.4
161.04547	9.2
163.03969	2.5
171.06587	8.5
172.30521	1.3
179.05600	41.0
180.05983	1.6
184.07426	1.0
285.09851	1.4
320.59161	1.1
327.10757	2.1
365.17886	2.4
381.89267	1.3
389.18024	1.2
407.19437	1.3
439.16040	8.7
451.18146	2.2
473.54028	1.1
539.21442	9.1
540.21460	1.4
568.47314	1.1
683.38501	6.1
719.26239	2.7
719.36261	3.6
723.02045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47699	0.2
57.03442	2.1
59.01381	1.3
60.99310	0.2
61.98827	6.5
67.01882	3.5
69.13738	2.1
71.01376	0.7
75.00891	0.2
83.01366	0.3
84.06963	0.2
85.02943	0.7
87.00876	11.6
88.98811	1.3
89.02421	0.4
96.96007	0.7
101.02429	0.5
111.00877	100.0
112.01219	2.2
112.98774	0.2
123.04543	0.2
127.07693	0.2
130.99883	0.4
142.80521	0.2
147.04507	0.2
152.01151	0.2
154.99857	0.4
173.00899	11.4
174.01224	0.4
181.40353	0.2
189.05460	0.2
253.09268	0.3
255.02968	0.4
283.02499	0.3
291.19733	1.1
309.20779	1.3
315.05139	0.6
634.15271	0.2
657.31494	0.2
701.33044	0.2
718.98010	0.2
719.31262	5.9
720.31415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01380	0.9
60.21467	0.1
61.98827	2.6
67.01889	3.8
71.01369	0.2
71.04847	0.3
83.01377	0.2
85.02951	0.6
87.00878	6.5
88.98802	0.4
101.02473	0.2
111.00879	100.0
112.01207	2.4
113.02417	0.2
117.57014	0.1
123.04498	0.2
135.54231	0.1
154.99876	0.4
173.00903	10.8
174.01279	0.3
191.01868	0.2
205.12416	0.2
215.63972	0.1
233.81395	0.1
249.89339	0.1
253.09276	0.4
275.19846	0.1
291.19626	0.3
309.20770	0.8
418.49524	0.2
545.29657	0.5
719.31073	1.1
720.32257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01379	1.2
59.01624	0.2
61.98829	5.3
67.01888	3.8
71.01394	0.7
73.02937	0.2
83.01394	0.3
85.02948	0.7
87.00875	12.5
88.01214	0.2
88.98808	1.1
89.02493	0.3
96.96023	0.7
101.02455	0.7
106.61696	0.2
111.00880	100.0
112.01220	2.5
112.98851	0.2
113.02469	0.3
123.04502	0.2
124.17966	0.2
127.07580	0.3
129.01968	0.3
147.04494	0.3
151.00439	0.2
152.01163	0.4
153.05560	0.4
154.99835	0.5
173.00903	11.9
174.01279	0.3
178.99835	0.3
189.41011	0.2
229.76308	0.3
247.20714	0.2
253.09193	0.5
254.37355	0.2
269.31985	0.2
283.02438	0.2
291.19617	1.5
309.20749	1.3
315.05164	0.4
376.66846	0.2
503.21118	0.3
657.31555	0.2
719.31165	6.3
720.31512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01371	0.9
61.98830	2.4
63.79023	0.1
67.01884	3.8
67.03132	0.1
68.20805	0.1
70.46604	0.2
70.46973	0.3
71.01374	0.3
83.01382	0.3
85.02944	1.1
87.00868	6.9
87.34583	0.2
98.19975	0.1
101.02425	0.3
109.06556	0.1
111.00874	100.0
111.18790	0.1
112.01207	2.2
112.98783	0.2
113.02435	0.2
117.21274	0.1
123.04494	0.4
127.07667	0.3
129.01935	0.4
147.04523	0.5
153.05569	1.5
154.99857	0.5
161.06027	0.1
171.06595	0.2
172.05284	0.4
173.00893	10.9
174.01141	0.3
187.30461	0.1
191.01979	0.2
253.09286	0.3
258.25729	0.1
273.18726	0.2
291.19705	0.5
293.21094	0.2
309.20758	0.6
319.36807	0.2
428.07169	0.1
439.16119	0.5
449.99353	0.1
545.29657	0.6
719.31146	2.0
720.31177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.7
59.01388	1.4
61.98814	0.9
69.59972	0.6
69.60380	1.5
71.01409	0.3
76.57658	0.3
77.03980	0.5
83.05012	0.8
85.02946	0.6
85.30888	0.3
93.03434	0.4
95.05022	3.7
97.88585	0.3
98.19901	0.5
99.08151	30.7
100.08499	0.8
101.06078	0.6
101.59536	0.3
101.75858	0.3
105.03441	0.9
109.06567	0.9
121.02925	0.6
123.04515	100.0
124.04863	3.9
127.07643	50.3
128.07988	1.3
129.05573	59.1
130.05910	1.6
138.03271	1.3
149.02383	0.5
153.05562	36.3
154.05940	1.6
171.06615	10.8
172.06999	0.6
189.07666	2.3
217.27283	0.3
223.13507	0.3
238.11330	0.4
255.23386	0.8
279.23267	2.6
293.24863	0.5
300.44794	0.3
348.36160	0.3
547.33331	1.0
571.47229	0.3
618.20990	0.3
623.13818	0.4
701.39313	0.8
719.39960	4.8
720.41180	1.0
722.27612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56987	0.7
52.78542	0.7
57.03455	6.8
59.01368	2.8
61.98841	5.3
63.52338	0.9
71.50539	1.3
71.50909	0.8
72.60159	0.8
78.01318	0.7
95.05014	4.4
99.08160	23.7
109.06572	1.0
123.04531	100.0
124.04826	3.7
126.50765	0.7
127.07657	44.9
128.07970	1.3
129.05586	29.0
138.03171	1.2
143.46092	1.0
153.05582	34.8
154.05872	1.6
171.06599	7.9
189.07660	1.5
254.86568	0.8
277.21762	1.6
279.23251	3.0
324.11960	0.9
331.88699	1.0
390.82419	0.9
484.20322	1.0
719.40088	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	720.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98827	100.0
62.98535	0.2
69.44450	0.7
71.01382	0.2
85.02943	0.1
89.02451	0.2
96.27730	0.1
108.53416	0.1
113.02469	0.1
134.03722	0.4
144.58401	0.1
145.03000	0.1
148.66135	0.1
150.03294	0.2
153.05496	0.2
156.33510	0.1
165.05573	0.2
172.29997	0.1
178.02769	0.1
188.23808	0.1
193.05049	0.9
195.06558	0.2
200.78546	0.1
341.10361	0.3
389.12372	0.9
461.14926	0.2
517.88257	0.1
658.22021	0.1
683.38837	0.3
684.39740	0.3
685.40002	0.1
720.38147	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	720.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.1
61.98809	11.2
69.97563	22.6
69.97926	8.6
71.01372	16.7
78.95895	7.2
89.02430	28.3
94.38533	5.0
98.65952	4.9
101.02432	15.3
101.54549	5.3
113.02426	6.1
119.03463	12.6
152.99541	5.9
169.14435	5.3
179.05550	10.3
225.22070	6.7
288.42975	5.5
504.44199	15.9
522.45123	8.2
588.82672	5.9
684.50598	100.0
685.50385	25.7
720.48193	25.7
721.47870	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	721.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03448	0.9
59.01376	17.1
69.03443	3.3
71.01373	24.3
71.50455	1.1
71.51200	0.8
72.99280	1.0
79.20431	0.9
83.01367	1.5
85.02927	4.4
87.00871	1.1
89.02441	15.2
93.03456	4.3
95.01387	1.3
96.95994	1.7
99.00883	6.1
99.04478	1.1
101.02440	5.9
111.00855	1.0
113.02451	8.6
115.00365	24.8
119.03503	4.6
119.05021	48.1
120.05325	1.7
122.27422	1.0
123.04469	1.0
125.19917	0.9
127.07629	1.2
129.05579	1.3
131.05049	1.3
132.05792	1.5
133.01457	6.9
143.03427	1.2
143.04991	2.3
145.02968	1.4
145.06580	1.4
157.01416	7.3
161.04526	2.9
163.04001	23.3
164.04312	1.4
165.76720	0.9
169.88234	1.0
173.06085	1.0
179.05600	17.2
187.02415	1.3
189.07654	2.0
217.03459	14.3
217.05167	0.9
223.07651	2.9
237.09198	8.2
239.10658	3.4
253.08742	1.1
261.03989	7.5
265.08630	3.0
277.05551	5.9
283.09744	8.4
295.06741	2.1
309.07565	2.0
327.08713	100.0
328.09052	5.7
368.09116	1.1
425.08676	8.8
443.09641	5.1
538.92914	1.1
559.14386	3.0
605.15155	1.4
609.38593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04747	0.4
55.01869	0.7
58.00592	0.9
59.01377	100.0
59.80745	0.4
60.01706	1.4
69.38425	2.5
69.38836	0.6
71.01378	18.6
72.99316	0.5
73.02944	18.0
80.12034	0.4
83.01386	5.2
85.02937	3.5
87.00885	1.2
89.02441	11.8
95.01394	1.2
97.02977	0.5
99.00879	0.7
101.02441	22.2
108.08488	0.4
113.02448	10.4
119.03482	5.9
125.02480	1.0
131.03461	2.1
137.58829	0.4
143.03505	2.6
149.04523	5.9
155.03558	0.7
161.04556	11.6
179.05672	2.0
203.05714	0.6
221.06636	3.5
222.07108	0.4
247.11888	2.0
254.75873	0.5
261.27716	0.4
289.12918	2.1
345.90979	0.5
387.20145	3.3
388.20581	0.8
569.26569	0.5
706.32465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.1
59.01381	1.9
61.98819	1.5
65.02608	0.4
69.75742	1.8
77.03977	0.3
78.95910	0.5
85.02989	0.4
93.03452	0.5
95.05014	3.5
97.06059	0.3
98.19992	0.5
99.08152	29.8
100.08468	0.8
101.06071	0.5
105.03426	0.7
109.06573	0.8
121.02960	0.6
123.04517	100.0
124.04858	3.3
127.07646	50.4
128.08015	1.4
129.05574	59.2
130.05913	1.4
138.03242	1.0
149.02411	1.0
153.05565	35.9
154.05905	1.4
171.06621	11.2
172.06940	0.4
174.01648	0.4
189.07703	2.0
207.10255	1.2
225.11301	1.2
277.21796	1.6
281.24863	2.9
295.26468	0.7
323.25912	0.4
461.20660	0.5
549.34167	1.7
703.40680	1.0
721.41504	5.8
722.42279	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85090	0.6
55.88364	0.6
56.89865	0.7
59.01377	20.8
61.98812	2.5
66.98542	0.6
67.16575	0.5
69.46558	0.6
71.01376	6.4
71.07063	0.6
73.02905	0.8
83.05017	1.7
84.19041	0.6
85.02927	1.8
88.11169	0.6
89.02432	4.5
95.01387	1.5
95.05008	4.3
97.02960	4.4
97.86906	0.6
98.06133	0.6
98.19901	1.9
101.02436	4.5
106.04257	0.6
107.04940	0.9
109.06586	5.9
110.03727	1.8
111.04526	1.5
113.02432	2.8
121.06642	0.9
127.07586	0.7
135.08105	0.7
141.85960	0.6
143.03516	1.1
144.05511	0.6
145.10223	0.9
151.11255	1.1
152.99580	0.6
161.04533	2.4
161.09715	0.8
163.11258	7.0
179.05598	1.4
179.10715	2.1
181.12321	1.9
182.04526	0.7
189.09169	4.4
197.11848	1.2
207.10239	31.8
208.10692	1.6
225.11296	100.0
226.11647	5.2
235.08179	3.1
253.09276	8.4
277.21683	57.5
278.22089	5.2
321.82571	0.7
393.26431	4.0
443.19287	6.0
461.20248	19.4
462.20575	2.5
527.15631	0.7
721.41516	9.8
722.41791	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	722.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01374	5.4
61.98828	100.0
66.04044	0.3
68.97736	0.3
70.56030	0.4
71.01381	4.4
71.50539	0.4
73.02950	1.1
81.51272	0.3
83.01414	0.3
83.05024	2.7
85.02957	1.4
87.00879	0.4
87.87518	0.4
89.02440	2.2
96.96020	0.5
99.04544	0.5
99.92619	0.4
101.02433	3.2
111.00847	1.8
112.01239	0.6
113.02467	1.8
115.92107	0.4
116.92873	1.0
119.03516	0.4
119.05025	1.0
121.06682	0.5
123.04522	0.8
125.02491	0.8
126.02763	0.3
127.04011	11.7
127.07673	1.0
129.05621	0.7
135.03014	0.4
137.06082	0.7
139.07625	3.3
147.04535	1.6
153.05589	1.1
161.04593	0.4
161.06091	0.5
163.03986	1.9
165.05597	1.6
179.05692	0.7
193.79649	0.4
229.12292	0.4
315.22177	0.4
435.31384	0.7
453.32349	0.7
458.26471	0.4
475.29352	0.4
517.30334	1.2
531.31793	4.8
532.32666	0.5
615.37634	4.6
616.38159	0.7
641.35687	0.7
659.36346	13.6
660.36127	1.9
664.36859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
56.53835	0.5
57.03436	1.9
58.00576	0.8
59.01379	28.0
61.98832	10.0
69.03453	0.8
69.18915	5.3
71.01382	27.1
72.00917	2.7
72.27434	0.6
72.99295	1.5
73.02949	7.2
74.02473	32.1
75.00861	0.7
81.03448	0.7
83.01376	2.6
83.05025	0.6
83.20869	0.5
83.83263	0.5
85.02951	8.2
86.00095	0.9
87.00860	4.7
88.98802	1.8
89.02444	14.9
93.03456	0.7
95.01393	2.0
97.02905	1.0
99.00886	1.8
101.02439	16.4
104.03535	6.2
113.02444	9.9
119.03501	4.4
119.04977	0.6
119.55783	0.5
120.76829	0.5
123.04522	1.0
125.02418	2.0
127.07643	0.8
131.03496	4.9
134.03627	0.5
143.03468	1.4
153.05579	0.6
159.02934	1.4
161.04581	4.9
179.05583	1.1
203.05484	1.3
207.13943	0.9
214.02681	0.7
221.06660	4.7
226.74936	0.6
234.74959	0.5
248.20026	0.9
306.63821	0.6
350.23413	2.1
368.24237	0.8
417.31628	0.6
501.30878	0.9
530.30487	0.6
635.32599	0.7
663.36078	1.7
681.36975	2.2
692.34808	7.5
693.35114	0.9
704.34955	1.2
722.36035	100.0
723.36298	18.7
752.00201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63716	1.1
57.03448	1.8
58.96812	0.8
59.01372	7.2
66.09216	1.0
69.47364	7.2
71.01366	2.7
71.68051	0.9
79.40840	0.9
85.02900	0.9
89.02449	1.4
96.96005	1.1
98.20649	1.3
99.08151	12.1
115.00357	1.3
119.05032	1.4
127.07645	14.8
129.05574	58.8
130.05893	1.4
133.01408	1.3
145.08701	2.3
163.03891	1.2
171.06644	2.7
189.07671	100.0
190.08015	4.0
255.02950	1.5
308.83609	1.0
590.68005	1.1
687.62488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72662	0.3
54.44566	0.2
58.00586	0.3
59.01377	7.4
61.46716	0.3
61.98836	1.5
63.84581	0.2
67.07928	0.3
69.03463	0.6
71.01376	4.7
71.50116	0.3
73.02924	0.7
74.70983	0.3
80.02663	1.0
81.03462	1.2
83.01387	0.6
83.05028	5.0
84.02158	0.6
85.02959	1.2
87.00903	0.4
87.71219	0.3
89.02454	3.1
93.03419	0.4
95.01455	0.3
95.05022	0.7
101.02431	3.9
110.31927	0.3
111.08169	0.3
113.02460	2.3
119.03497	0.7
125.06084	0.4
125.09711	0.3
125.28873	0.2
135.08112	0.4
147.11818	0.3
157.19444	0.3
161.04547	1.7
163.11255	2.8
165.12836	2.3
167.10777	0.3
167.14340	0.3
179.05580	0.6
181.12318	0.9
183.13896	4.6
184.14342	0.4
191.10771	0.9
193.12296	1.2
195.13887	2.7
196.14507	0.5
209.11813	100.0
210.12157	5.9
211.13379	67.3
211.17526	0.4
212.13699	4.2
223.13403	2.1
224.13675	0.3
227.12894	10.2
228.13437	0.9
231.21230	0.3
235.08199	3.1
253.09279	16.4
254.09663	0.8
256.13156	0.4
275.20142	3.4
276.20416	0.7
277.21698	49.0
278.22083	5.0
293.21216	40.5
294.21573	4.1
345.06668	0.3
445.20587	0.8
447.22336	2.9
448.22653	0.4
469.32602	0.3
487.34628	0.4
529.30035	0.6
588.55347	0.3
663.43353	0.3
723.43414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.2
59.01363	1.6
61.98830	80.8
70.98550	2.4
78.95905	6.1
79.68090	1.1
95.05026	4.0
96.83433	1.1
98.20658	1.1
99.08160	30.9
100.73911	1.2
101.25700	1.3
120.57840	1.1
122.03293	1.1
123.04531	100.0
124.04826	2.3
127.07659	51.1
128.08011	1.6
129.05588	58.0
130.05824	1.4
138.03268	1.4
152.99583	7.5
153.05583	36.0
154.05894	1.9
171.06612	11.3
189.07712	2.0
209.27892	1.3
259.13367	1.6
283.26407	2.5
339.89319	1.2
467.16248	1.2
551.36310	1.2
624.32990	1.2
723.42712	6.9
724.43524	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	724.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98828	100.0
69.37352	0.1
70.76267	0.1
73.31522	0.1
73.66538	0.1
77.77133	0.1
155.45868	0.1
214.33652	0.1
219.20221	0.2
264.20407	0.2
334.44821	0.1
364.17673	0.1
399.14151	0.2
425.05103	0.1
453.14209	0.1
457.17432	0.2
712.90314	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	725.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
60.12630	0.9
61.15192	1.0
61.98812	1.1
63.02380	1.4
68.81907	1.0
70.78078	1.0
71.01377	17.0
71.50166	1.3
72.85766	0.9
72.99315	5.7
78.37212	1.0
79.57806	1.0
79.76003	1.0
85.02953	1.7
87.00877	1.8
89.02418	1.6
93.03417	1.1
101.02433	1.3
107.01407	1.7
108.02171	1.6
111.00842	1.4
111.05959	1.2
113.02465	1.6
115.00365	9.1
121.02932	1.0
123.04539	2.5
125.02454	1.0
128.43329	0.9
133.01395	2.5
133.02979	1.2
135.04456	2.6
136.01620	1.5
151.00365	3.1
160.01097	1.2
161.04541	2.3
161.08186	2.6
179.03465	2.0
183.04491	1.6
209.04495	1.0
211.04039	1.5
213.05678	1.5
227.03529	10.0
229.04955	6.0
235.37846	0.9
241.04918	1.3
255.02963	43.7
256.03598	5.0
257.04483	3.6
259.04428	1.4
269.04321	1.1
283.02441	53.2
284.03207	47.8
285.04010	100.0
286.04346	8.3
323.09851	2.4
327.04999	1.8
338.57132	1.0
383.09930	1.4
446.08496	9.3
447.09268	67.7
448.09586	6.9
489.10376	1.8
543.11261	1.4
545.09131	20.2
545.16290	1.8
546.09338	1.3
563.09985	48.4
564.10425	7.3
587.95868	1.0
591.14911	1.1
605.11066	1.8
609.14484	33.0
609.23950	2.0
610.14844	5.0
654.33496	1.1
725.15759	6.7
726.17072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.01379	2.5
63.83374	0.6
70.85697	1.3
71.01392	4.3
73.02953	1.5
77.14196	0.8
79.64533	0.6
80.30577	0.5
84.06548	0.6
85.02976	1.6
95.05018	1.8
99.08159	43.1
101.02445	2.3
105.03476	1.8
109.06596	1.1
113.02442	1.7
123.04524	87.9
124.04858	1.8
127.07654	55.3
128.08022	1.3
129.05580	40.6
130.05867	0.8
138.03174	1.1
153.05576	50.5
154.05902	1.3
159.03021	0.6
161.04568	5.6
163.58745	0.6
171.06615	11.5
172.06943	0.6
182.05902	0.6
189.07672	3.2
194.86697	0.6
285.09772	17.0
286.10132	0.9
326.60251	0.7
429.71634	0.7
439.16534	0.8
457.17139	100.0
458.17569	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81278	1.4
57.03429	4.0
59.01379	8.1
61.98822	9.8
63.22208	1.2
71.01375	5.6
71.51287	2.2
71.89870	1.9
75.00874	2.1
78.95901	2.0
89.02437	4.3
101.02444	5.0
113.02455	3.4
121.02926	1.6
123.04525	2.2
123.12657	1.4
125.09686	1.9
127.07664	2.3
129.05534	1.6
133.19980	1.3
139.11302	2.4
141.12859	2.1
153.05617	2.2
161.04517	3.0
167.10710	4.5
185.11813	100.0
186.12079	3.6
201.11505	1.7
209.11841	17.3
210.12083	2.6
211.13332	4.4
227.12852	4.8
229.10658	2.5
229.14404	5.2
235.08217	1.8
253.09253	6.3
277.21704	43.0
278.22037	6.0
279.23169	6.6
300.02811	2.9
377.12048	1.5
381.29303	1.6
457.16855	3.6
459.22052	1.6
465.19766	1.7
470.05930	1.5
609.18628	1.6
725.41101	72.2
726.41766	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67701	0.8
57.03456	0.9
59.01376	100.0
60.01707	1.2
61.31776	0.8
61.46584	0.8
61.98814	4.0
63.65432	0.9
69.37714	7.1
71.01379	9.3
85.02922	1.6
89.02441	13.8
98.20663	1.6
101.02445	3.6
113.02436	3.6
116.92841	2.0
119.03494	8.0
121.02998	1.1
123.04533	1.4
134.03699	1.3
134.99486	0.9
143.03416	1.4
149.09666	0.9
161.04590	2.7
179.05569	6.2
193.04999	1.2
209.11780	3.8
210.68457	0.8
227.12906	1.6
277.21698	28.6
278.22034	3.8
279.23340	4.1
303.21701	1.0
393.12381	1.1
450.36542	0.9
457.17029	1.7
511.39133	0.8
583.20251	1.0
725.48688	6.2
726.48834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50824	0.2
57.03440	0.7
59.01378	2.1
61.98827	100.0
62.98546	0.3
69.72545	0.2
71.01379	1.5
73.02969	0.2
85.02966	0.6
86.50368	0.2
89.02428	0.3
93.00723	0.2
99.08155	4.9
100.08504	0.9
101.02460	0.8
106.06665	0.3
113.02467	0.4
121.25686	0.2
123.04520	9.4
124.04851	2.3
127.07643	6.3
127.08545	0.4
127.66359	0.2
128.07990	1.4
129.05576	4.6
130.05939	0.6
132.30450	0.2
153.05569	5.0
153.06754	0.4
154.05904	1.2
161.04610	0.6
171.06592	1.4
172.06917	0.2
189.07639	0.4
221.44113	0.2
234.19501	0.2
285.09760	1.4
286.10275	0.5
305.30521	0.2
411.69189	0.2
457.17096	6.4
458.17432	8.5
459.17453	0.5
459.22958	0.4
665.37268	0.3
666.39014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01378	2.3
61.98829	100.0
62.98528	0.4
65.54703	0.2
69.37536	1.7
70.20444	0.2
71.01380	1.6
73.02946	0.5
74.84612	0.2
75.00870	0.2
79.84243	0.2
83.01408	0.3
85.02967	0.7
89.02451	0.5
95.01447	0.2
95.04972	0.3
99.00893	0.2
99.08156	5.3
100.08506	1.2
101.02445	0.8
106.06629	0.3
113.02459	0.5
119.03513	0.2
121.11867	0.2
123.04523	10.9
124.04854	2.4
127.07642	6.7
127.08533	0.3
128.08012	1.4
129.05591	4.4
130.05948	0.9
153.05576	6.1
154.05945	1.5
161.04581	0.8
171.06619	1.4
189.07729	0.3
255.51572	0.2
258.97943	0.2
285.09830	1.5
286.10287	0.8
457.17142	6.8
458.17468	8.6
459.17361	0.6
459.23029	0.4
665.36829	0.4
666.37744	0.4
683.39478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98828	100.0
62.81536	0.1
62.98515	0.2
71.01389	0.2
73.52943	0.1
89.02431	0.2
98.20735	0.3
101.02431	0.1
114.82372	0.2
123.04510	0.1
125.44832	0.1
129.05603	0.2
197.11841	0.2
211.46280	0.1
223.13400	0.3
236.08461	0.1
399.14261	0.2
750.54346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20988	2.7
55.90188	2.7
56.59540	2.9
59.01378	100.0
61.98828	39.1
70.77045	8.1
71.01381	9.2
72.99308	2.9
78.95860	3.2
81.50307	2.6
84.41367	2.6
85.31656	2.6
89.02431	4.2
96.95982	3.8
111.04533	3.2
116.92887	2.9
123.04527	6.3
126.61738	2.8
127.07700	3.4
147.04547	3.5
153.05573	4.7
161.13367	9.9
163.03996	3.7
168.36668	2.6
169.28793	2.9
187.11276	3.3
205.12337	60.4
206.12672	3.5
223.13245	6.6
249.11359	17.2
265.14386	8.5
309.13409	56.8
310.13800	4.0
397.13574	4.7
471.18530	5.1
517.20496	9.6
577.22845	51.2
578.23358	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	727.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91616	1.1
59.01376	100.0
60.01714	1.2
61.98827	83.7
70.49117	2.2
70.49496	2.7
71.01373	3.9
73.02943	1.6
74.00894	1.2
74.68485	1.2
87.00877	1.5
89.02431	1.4
96.96027	1.5
99.08130	2.2
101.02457	2.7
103.43296	1.2
116.92873	3.3
123.04513	3.0
127.07655	2.1
128.68768	1.1
129.05539	2.4
147.04521	2.8
150.06833	2.7
153.05527	2.1
161.13336	25.2
171.06682	1.2
187.11215	2.3
205.12314	51.9
206.12706	3.1
223.13382	2.8
228.77681	1.3
241.04927	1.6
249.11296	6.9
256.07162	1.8
265.14514	2.8
267.12286	1.8
293.21280	7.0
309.13403	60.2
310.13931	6.0
367.17639	1.8
397.13535	2.6
415.14282	3.0
471.18805	2.4
472.19083	1.2
517.20862	3.5
565.01367	1.6
577.22827	34.2
578.23364	4.0
727.33649	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	727.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01586	0.4
57.03455	0.7
59.01377	100.0
60.01711	1.5
60.37187	0.4
71.01376	6.5
71.50685	0.6
72.99299	0.6
73.02950	2.1
83.01383	1.1
85.02934	2.9
85.30976	0.4
87.00909	0.6
89.02431	2.6
95.05064	0.7
99.00874	0.8
101.02430	7.0
105.03457	1.2
111.00870	0.8
113.02456	3.6
115.00377	0.5
116.92892	1.2
119.03526	1.5
119.05003	2.2
133.02965	5.5
159.03073	0.5
161.04558	2.8
163.04070	1.7
177.01889	3.0
179.05632	1.3
235.11856	10.6
236.12148	0.6
248.25745	0.4
277.12903	8.0
362.11185	0.5
405.21570	0.9
489.40369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03426	0.4
58.89557	0.3
59.01376	100.0
60.01707	1.1
61.98835	0.4
69.61916	2.1
71.01379	12.0
72.99310	0.8
73.02939	3.9
75.00898	0.4
80.18977	0.3
83.01391	2.1
85.02939	5.5
89.02441	4.3
90.21144	0.4
95.01397	0.9
99.00879	2.1
99.92588	0.9
101.02441	10.4
111.00896	0.7
113.02445	5.0
113.03155	0.4
113.90984	0.4
115.00375	0.9
116.92852	8.6
117.92902	0.6
119.03512	1.4
125.02461	0.6
129.01970	0.4
133.01419	0.8
133.02997	1.2
135.04520	0.5
140.35370	0.4
143.03513	0.9
151.00385	0.4
159.03030	1.1
161.04543	4.2
177.01961	0.8
179.03539	0.6
179.05656	1.0
193.69846	0.4
225.05670	0.6
235.11841	21.3
236.12303	1.5
240.07846	0.6
277.12897	12.6
278.13315	0.9
387.08890	2.9
405.21295	5.9
406.21863	0.7
594.34766	0.4
758.99170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03439	1.9
59.01379	26.1
61.98829	100.0
70.46790	0.9
71.01385	17.1
71.50253	1.0
73.02955	4.3
75.00850	1.0
78.81414	0.9
78.87904	0.8
83.01376	2.7
85.02959	7.0
87.00895	1.1
88.98797	2.4
89.02442	5.3
99.08140	2.8
101.02444	9.7
101.26765	0.8
101.37249	0.9
111.00858	1.1
113.02426	6.1
119.03489	1.2
119.04954	1.0
123.04556	6.8
124.04806	1.6
125.02431	0.8
127.07639	5.0
129.05577	3.4
130.17079	1.0
147.04483	1.5
153.05569	7.1
154.05876	1.4
161.04510	2.4
163.03922	1.6
165.05606	1.0
171.06598	1.3
175.02443	1.4
197.05992	0.9
201.11266	1.2
203.72603	1.0
209.11841	2.8
227.12692	1.3
271.39011	0.9
311.14935	1.2
346.12204	2.4
361.14355	1.2
373.18652	6.5
375.05847	1.7
399.20303	1.1
415.19574	14.2
416.20193	1.8
417.21237	2.9
458.17279	2.9
459.17331	2.9
459.23138	4.8
505.33838	2.3
667.39124	20.1
668.39301	4.1
727.41553	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	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05976	1.0
59.01374	31.9
61.98542	0.9
61.98824	6.3
64.20185	0.9
69.32799	7.6
71.01382	4.5
78.95884	1.5
85.02926	1.9
89.02419	3.8
94.59651	0.9
101.02409	2.4
105.89062	0.9
113.02406	1.0
125.09748	0.9
127.11251	2.0
151.11249	3.7
157.42746	0.9
161.04510	1.4
169.10864	1.4
169.12325	28.3
169.14586	1.1
170.12617	1.8
171.10248	81.6
172.10594	3.2
213.11299	3.0
231.12399	4.4
253.09221	3.6
277.21689	29.6
278.22040	3.7
301.41232	0.9
381.61993	1.1
449.20184	2.1
467.21201	4.0
709.41742	5.2
727.42657	100.0
728.43073	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.5
60.01707	0.3
61.98832	0.7
64.24185	0.3
70.05953	0.8
70.06351	0.6
71.01364	1.6
73.02916	0.4
73.09018	0.3
85.02972	0.5
89.02455	1.2
94.55231	0.2
98.20664	0.3
101.02460	1.4
113.02447	0.7
118.27127	0.3
119.03516	0.4
121.54339	0.3
125.09731	1.0
127.11268	1.5
153.09200	0.5
161.04561	0.9
167.57559	0.3
171.10262	100.0
172.10617	4.4
179.05621	0.4
198.79268	0.3
230.25389	0.3
235.08263	1.5
253.09244	5.7
277.21704	47.2
278.22070	4.7
407.19324	2.5
513.30438	0.3
639.77795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95618	0.3
53.21577	0.3
53.63384	0.3
59.01380	21.3
61.98838	1.4
70.00869	0.7
70.01270	1.1
71.01372	2.6
71.26330	0.4
73.02945	0.7
85.02940	0.7
87.00869	0.6
89.02460	1.4
97.28581	0.3
101.02446	2.3
113.02440	1.1
119.03483	0.5
120.66860	0.3
125.09739	0.5
127.11279	1.7
145.05005	0.6
153.09201	0.5
158.68805	0.4
161.04601	1.0
171.10278	92.3
172.10612	3.7
209.11865	0.9
233.22839	0.4
235.08234	3.6
253.09300	8.1
277.21713	100.0
278.22076	9.5
281.24857	1.6
327.86688	0.3
407.19275	0.8
436.97556	0.4
458.59729	0.4
513.30420	0.9
546.54315	0.4
684.46588	0.4
733.40112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30142	0.5
59.01381	3.4
66.00964	0.6
71.01364	2.3
71.48643	0.6
73.02930	0.7
73.03614	0.4
82.04096	0.7
89.02465	1.0
93.03455	11.7
99.00858	1.0
101.02457	0.8
101.34895	0.4
107.03622	3.7
107.05032	3.3
108.02040	5.7
116.57489	0.4
116.92831	0.8
117.01930	1.1
119.05023	0.9
126.03091	3.0
127.53378	0.5
133.01559	24.8
134.03754	0.6
135.04518	12.5
147.04555	0.9
149.06169	0.6
150.04208	100.0
151.02660	1.0
151.04579	1.6
163.04036	3.3
163.91925	0.5
165.05562	37.0
166.05894	1.6
177.03294	0.6
177.05540	1.6
181.05069	3.7
187.04031	0.8
193.05145	2.5
195.06558	0.6
203.26750	0.5
205.05118	1.0
223.06111	3.1
282.08435	55.2
283.08237	58.3
284.08484	3.6
388.48282	0.5
445.13483	12.7
446.13818	1.9
531.14954	0.6
559.90845	0.5
580.37769	0.5
610.14661	0.6
739.78180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98827	100.0
62.98541	0.1
71.01383	0.2
71.17049	0.1
95.63380	0.1
96.96005	0.1
101.02455	0.2
113.02450	0.1
117.54562	0.1
123.04465	0.2
123.51247	0.1
127.07673	0.2
129.05568	0.1
137.02455	0.3
153.05563	0.1
189.07700	0.4
224.10793	0.1
415.19730	0.2
416.20120	0.3
417.21616	0.2
665.37726	0.5
728.36914	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	728.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72724	0.1
59.01377	0.2
61.98825	100.0
62.98529	0.4
69.76691	0.6
70.96685	0.1
78.95907	0.1
94.80397	0.1
101.01426	0.1
121.02964	0.2
147.82211	0.1
237.09370	0.1
346.72781	0.1
397.13214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.31877	0.1
61.98830	100.0
62.98519	0.2
69.60689	0.1
71.27427	0.2
101.02444	0.2
137.02489	0.2
139.85625	0.1
172.72452	0.1
189.07709	0.1
225.58943	0.1
268.78586	0.2
300.29898	0.1
415.19824	0.2
416.19916	0.2
651.06561	0.1
665.38000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64873	0.1
55.56749	0.1
56.53151	0.1
57.65907	0.1
59.01381	1.3
60.19355	0.1
61.98830	100.0
62.98545	0.2
64.03645	0.1
69.20659	0.5
69.21088	0.6
71.01390	0.8
72.99358	0.1
73.02976	0.1
84.70058	0.1
85.02961	0.3
87.00874	0.1
89.02436	0.3
96.44434	0.1
96.96017	0.2
97.24010	0.1
99.08129	0.1
101.02444	0.3
102.02817	0.2
106.06648	0.4
113.02458	0.2
115.00372	0.2
119.04261	0.1
119.05065	0.2
121.88931	0.1
123.04507	0.2
127.07665	0.2
129.05611	0.2
133.01407	0.2
143.03668	0.1
153.05592	0.2
161.04628	0.1
163.03938	0.2
190.08723	0.2
208.16949	0.1
234.07643	0.2
287.08020	0.2
312.27652	0.2
384.91257	0.1
417.21167	0.2
459.23007	0.2
460.22879	0.2
461.24054	0.2
524.75836	0.2
665.37769	0.3
668.39459	0.2
729.22174	0.1
729.37000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37279	0.7
59.01380	23.2
61.98829	6.6
71.01380	29.7
71.50867	0.8
72.99303	4.8
73.02946	1.0
87.00877	1.4
87.44278	0.7
88.98854	0.8
89.02431	4.5
93.03477	3.0
101.02438	2.4
105.01937	2.1
111.00862	2.7
113.02435	1.3
115.00372	52.9
116.00705	1.0
119.03529	1.2
119.05006	2.7
123.04489	1.7
129.05608	1.3
133.01433	100.0
134.01759	1.1
134.03854	0.9
141.62787	0.7
149.06046	2.0
153.05565	1.0
163.03963	0.7
169.06598	1.0
182.07359	2.1
183.08087	0.9
184.05411	0.8
185.09720	3.5
195.08142	6.7
197.09691	13.1
198.10178	1.2
211.11255	1.5
211.25664	0.7
212.12045	1.3
213.12880	3.8
220.94296	0.8
223.07771	0.9
227.10759	2.3
239.10847	3.0
241.08702	51.6
242.09158	3.5
255.09972	0.8
257.11826	25.7
258.12149	1.5
301.10776	28.4
302.11246	2.3
345.09711	1.4
358.38794	0.8
401.18237	1.0
423.18951	3.9
461.19949	1.2
517.39813	0.7
569.20282	11.2
570.20697	1.8
613.19269	39.6
614.19464	7.5
729.26971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02676	0.3
55.34396	0.3
59.01373	38.8
61.98820	1.1
67.01876	0.6
69.36927	3.1
71.01374	53.7
72.01684	0.5
72.98901	0.7
72.99304	12.8
73.02953	0.8
75.94762	0.4
85.02940	1.3
87.00862	2.2
89.02449	0.6
93.03444	5.3
95.05013	1.5
96.99291	2.0
99.00861	0.6
101.02430	1.8
105.03437	0.6
108.02162	0.4
109.02959	0.5
111.00872	16.3
113.02427	1.3
115.00360	51.0
116.00714	0.6
116.57124	0.4
117.03358	0.4
119.05011	4.1
121.02996	1.1
123.04512	72.8
124.04844	2.2
133.01419	18.0
133.06612	1.0
134.01776	0.6
145.06535	0.5
149.02454	1.1
149.06071	3.8
156.05766	0.6
157.06490	0.4
159.02934	0.4
161.04541	4.9
163.03986	1.0
169.06596	2.4
171.04489	0.4
171.08133	0.5
173.00870	2.0
182.07339	7.8
183.08101	1.8
185.05891	0.4
195.08160	3.0
196.08798	1.1
197.09691	49.4
198.10059	3.8
207.06630	0.4
211.07718	0.5
211.11246	6.1
212.11777	0.6
213.12827	9.0
214.13055	0.8
215.22562	0.4
220.03226	0.3
223.07590	0.4
227.10716	2.7
239.10764	1.3
241.08644	0.9
245.11845	2.2
257.11792	11.3
258.12119	1.2
283.09811	1.1
285.09760	14.9
286.10092	1.2
301.10773	79.4
302.11148	6.7
345.09738	15.9
346.10010	1.7
381.13318	0.4
383.09781	19.9
384.10114	1.7
401.10831	100.0
402.11179	9.7
729.35315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08478	0.5
59.01378	17.7
61.98832	4.6
71.01379	25.2
71.01775	1.2
72.01764	0.5
72.99297	4.2
73.02924	0.7
76.02965	0.5
85.02966	0.9
87.00867	0.9
89.02438	3.1
93.03464	1.7
98.20658	1.4
101.02462	1.9
105.01910	2.7
111.00884	1.1
113.02451	1.0
115.00369	54.2
116.00735	1.0
119.05008	1.7
123.04533	1.2
129.05595	0.9
133.01424	100.0
134.01779	2.3
143.07103	0.5
149.06076	1.2
150.03209	0.7
153.05594	0.6
163.04071	0.5
169.06604	1.1
182.07365	2.1
183.08095	0.9
185.09731	2.4
195.08133	7.0
196.08653	0.9
197.09718	12.6
198.10048	1.2
201.64259	0.5
211.07639	0.9
211.11276	2.2
213.12842	3.3
227.10803	1.9
239.10693	2.7
241.08681	47.9
242.09026	3.8
245.11897	0.9
253.76640	0.6
257.11810	24.2
258.12045	2.6
283.09787	0.6
301.10791	27.8
302.11194	2.4
345.09641	1.4
401.18515	0.7
403.14124	1.0
419.17737	0.8
423.18707	2.3
499.62350	0.5
569.20251	11.7
570.20642	1.4
613.19214	38.9
614.19635	7.2
729.25500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
61.98840	6.9
71.01384	24.4
72.99310	4.0
73.02975	0.6
76.92582	0.6
85.02923	0.7
87.00900	0.9
88.98801	0.7
89.02451	2.9
93.03455	4.2
101.02429	1.3
109.02940	0.7
113.02431	1.2
115.00377	47.2
116.00703	1.1
119.05054	3.7
123.04561	1.1
133.01434	100.0
134.01782	1.9
149.06100	0.9
153.05534	0.7
161.04343	0.6
163.03993	3.5
169.06604	1.2
182.07370	1.6
183.08130	0.7
185.09694	1.7
195.08134	5.3
196.08698	1.0
197.09720	13.9
198.10231	1.0
201.43105	0.6
211.11368	2.7
213.12903	5.5
221.09496	0.5
223.07683	1.9
227.10820	1.5
239.10822	1.9
241.08694	16.7
242.09193	0.9
245.08905	0.6
255.03079	1.4
257.11838	11.3
258.12170	1.5
283.09869	1.2
301.10815	11.7
302.11078	1.0
322.98260	0.7
327.05081	0.7
327.08624	0.6
345.09793	2.6
447.09030	1.1
461.24161	1.6
473.14520	0.8
569.20074	3.1
586.16467	0.7
613.19232	58.0
614.19672	12.1
614.29126	1.0
729.21289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34308	0.5
59.01372	0.8
60.99309	17.2
61.98832	3.6
69.01318	0.6
71.01391	0.5
71.50980	0.5
78.95902	2.0
87.00867	1.0
88.00414	3.3
88.98808	100.0
89.02442	11.1
89.99142	1.9
105.01936	1.5
152.99590	1.6
187.12082	0.6
397.13513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04897	0.1
59.01378	1.0
61.98828	100.0
63.99262	0.2
70.47570	0.1
71.01385	0.7
71.50040	0.1
71.50430	0.2
73.02958	0.2
73.95934	0.1
77.70415	0.1
85.02946	0.2
88.98832	0.1
89.02455	0.4
92.17442	0.1
96.96000	0.1
99.00895	0.2
101.02447	0.4
113.02439	0.3
119.03516	0.2
119.05067	0.1
123.04542	0.1
127.07675	0.2
129.05571	0.1
147.04536	0.1
151.00319	0.2
152.01126	0.2
153.05573	0.4
161.04549	0.3
163.04076	0.1
178.99886	0.2
193.05063	0.1
354.57028	0.2
462.24078	0.2
533.33020	0.1
645.35815	0.2
667.39008	0.3
730.39618	0.2
731.16162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.69344	0.1
61.98829	100.0
62.98515	0.2
63.99269	0.2
66.18160	0.1
68.10663	0.1
69.20277	0.2
69.20680	1.0
71.01379	0.5
88.98794	0.2
89.02447	0.3
94.14523	0.1
94.72681	0.1
96.96002	0.1
98.20692	0.3
101.02449	0.3
113.02421	0.3
123.04483	0.1
136.48622	0.1
149.54691	0.1
153.05589	0.1
182.29657	0.1
220.68758	0.1
245.45024	0.1
260.13373	0.2
326.09430	0.2
433.16885	0.1
496.88193	0.2
645.35553	0.2
667.37787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00689	0.1
59.01361	0.2
61.98830	100.0
68.73439	0.1
69.42998	0.1
69.47044	0.9
75.14857	0.2
80.96492	0.1
85.11372	0.1
133.98927	0.2
171.10310	0.8
172.10649	0.6
173.10759	0.2
277.21729	0.3
278.22037	0.3
297.93719	0.1
394.08188	0.2
453.31573	0.1
665.88403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98826	100.0
69.53713	0.3
69.54131	0.7
78.42767	0.2
80.96500	0.2
165.66255	0.2
171.10265	0.5
173.10727	0.2
249.19028	0.2
277.21814	0.5
278.22144	0.3
279.22543	0.2
365.47827	0.2
718.93085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
58.00586	0.4
59.01374	13.2
61.98826	8.4
64.24837	0.3
69.19050	1.0
69.19476	2.1
71.01378	10.4
72.59306	0.3
72.99310	0.8
73.02927	0.6
75.00875	0.4
79.05519	0.4
81.07085	1.4
83.01363	0.5
83.05003	0.9
85.02950	3.0
87.00870	0.7
89.02439	8.8
90.96764	0.3
95.01363	1.0
95.48347	0.3
98.20618	0.5
99.08154	0.7
101.02435	5.1
103.05511	1.0
109.06599	3.5
113.02449	9.3
114.02799	0.3
115.05575	1.4
119.03493	7.3
119.04932	1.6
123.04538	1.6
125.02394	0.3
127.07651	2.3
129.05573	0.9
131.03494	0.5
131.05011	4.0
133.06581	3.0
135.04503	0.3
138.03220	5.4
143.03514	1.7
143.04994	0.3
145.06595	0.9
147.04514	46.7
148.04848	2.1
149.04535	0.4
153.05571	100.0
154.05911	4.5
161.04579	7.7
161.06091	24.5
162.06444	1.1
163.03995	0.5
163.07735	0.4
167.07153	0.5
171.04558	0.4
171.06587	0.7
173.06105	0.5
175.07703	0.8
179.05602	11.8
189.05569	11.2
190.05928	0.5
195.06630	0.5
201.05594	1.2
219.06606	2.0
220.07178	0.3
237.07668	1.1
249.07762	1.7
291.08731	0.4
309.09799	3.0
333.12109	0.8
421.15414	0.7
457.17081	0.4
758.87799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24356	0.5
55.01875	0.7
56.94589	0.5
57.03448	0.9
59.01378	28.4
61.98827	19.4
68.94902	0.6
69.41147	4.2
71.01371	9.6
72.99307	0.7
73.02943	1.3
78.86941	0.6
81.07101	1.8
82.62196	0.6
83.01371	0.8
83.05025	5.0
85.02959	4.3
87.00878	0.6
88.98814	0.8
89.02439	9.5
95.01385	1.1
99.08156	0.8
101.02432	7.2
109.06574	3.6
113.02454	11.3
115.05527	2.2
119.03513	6.9
119.04956	0.7
121.06576	0.6
123.04522	1.3
127.04015	11.8
127.05466	0.6
127.07651	2.5
129.05609	0.8
131.03519	1.0
131.05032	4.0
133.06607	3.1
137.06059	0.9
138.03241	5.3
139.07655	2.6
143.03505	1.7
145.06592	1.0
147.04520	47.6
148.04836	2.1
153.05577	100.0
154.05905	4.7
161.04573	6.9
161.06087	22.7
162.06490	0.9
165.05582	2.3
167.07066	0.9
173.06154	0.6
175.07629	1.1
179.05618	9.5
189.05580	9.1
190.06010	0.9
195.06645	0.8
201.05540	1.1
219.06641	2.4
226.06378	1.7
237.07712	0.7
241.08711	3.3
249.07674	1.2
309.09821	2.9
338.65027	0.7
439.34213	0.8
499.32739	0.8
583.38373	2.2
601.39752	3.0
643.40765	2.1
653.39325	1.0
687.39502	5.8
688.40112	1.3
731.42041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84087	0.3
57.03449	0.9
59.01379	19.1
60.57038	0.4
61.98828	9.3
69.03458	0.5
71.01380	11.8
71.50710	0.6
72.99305	1.1
73.02944	0.8
81.07059	0.8
83.01392	0.6
83.05025	2.2
85.02950	3.9
87.00880	0.9
88.98798	1.7
89.02446	9.4
94.04244	0.6
95.01401	1.7
97.52456	0.4
99.00891	0.4
99.08167	1.1
101.02442	5.6
103.05518	0.9
108.96722	0.3
109.06597	3.5
113.02451	9.2
115.05533	1.3
117.03497	0.4
119.03497	6.7
119.05017	1.2
123.04518	1.7
125.02473	0.6
127.04019	5.0
127.07643	2.4
129.05600	0.9
131.05026	3.8
133.06606	2.6
138.03233	5.3
139.07652	1.7
143.03505	1.5
143.05115	0.4
145.06532	0.5
147.04520	44.9
148.04872	2.9
153.05573	100.0
154.05902	3.7
161.04578	8.1
161.06081	22.1
162.06380	0.8
163.03955	0.4
165.05553	1.3
171.04716	0.4
171.06580	0.7
173.06157	0.6
175.07663	0.8
179.05591	9.9
180.05911	0.5
189.03825	0.5
189.05559	9.6
190.05927	0.5
191.07190	0.6
195.06586	0.7
201.05537	1.3
219.06581	2.2
226.06352	1.7
237.07695	1.0
241.08655	5.4
249.07709	1.3
309.09763	2.7
333.11700	0.8
421.14920	1.2
439.15967	0.5
583.38501	1.2
601.39264	1.2
643.40411	0.5
653.39026	0.6
687.39795	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	731.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
58.00570	0.4
59.01377	30.8
61.98829	7.3
69.82858	2.6
71.01383	13.7
72.99303	1.4
73.02940	1.3
75.00930	0.5
79.27851	0.4
81.07068	0.9
83.01378	0.9
83.05034	5.2
85.02941	4.4
88.98828	0.9
89.02443	9.6
95.01376	1.5
95.54240	0.4
98.20579	0.6
101.02442	6.5
103.05534	0.8
107.03456	0.5
109.06588	4.2
113.02451	9.5
115.05540	2.0
117.03461	0.6
119.03507	6.8
119.05001	1.6
121.06639	0.7
122.03716	0.6
123.04516	1.3
125.02457	0.8
125.06010	0.6
127.04005	13.4
127.07658	2.4
129.05580	0.6
131.03519	0.7
131.05011	3.6
133.06577	2.7
138.03223	5.7
139.07651	3.3
143.03473	2.3
145.06575	1.2
147.04520	40.3
148.04874	1.4
149.04666	0.6
153.05573	100.0
154.05901	3.8
161.04596	6.4
161.06084	29.1
162.06424	1.2
163.04111	0.6
165.05576	2.7
171.06636	0.9
171.10118	0.6
173.06071	0.5
176.36838	0.5
179.05594	12.9
189.05550	13.2
190.06049	0.9
219.06628	2.1
237.07736	1.6
249.07695	3.0
291.08820	0.7
309.09723	3.0
321.95102	0.6
333.11905	0.9
421.15118	0.9
439.34125	0.5
517.34106	0.9
583.38458	2.2
601.39630	3.1
627.40912	0.6
643.40393	1.3
653.39069	1.2
687.39490	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	731.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69872	0.1
55.13729	0.2
59.01373	0.5
61.98822	0.5
64.63388	0.2
70.98924	0.2
71.01371	0.2
78.55064	0.2
84.84856	0.2
90.67152	0.2
91.05544	0.3
93.03458	0.4
98.20639	0.2
117.03463	0.3
119.05019	100.0
120.05350	4.1
125.54278	0.2
125.83557	0.2
132.10271	0.2
133.06638	0.2
163.03998	99.1
164.04330	4.8
168.01022	0.2
205.05046	0.3
231.70732	0.2
255.07144	0.2
325.09250	12.2
326.09561	0.9
330.99106	0.2
371.57144	0.2
569.12604	0.3
714.00598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83550	0.4
55.01889	0.4
55.62178	0.4
58.00588	0.6
59.01379	14.2
61.98828	13.9
68.99818	0.4
69.03445	0.6
69.15807	1.2
69.16210	3.2
71.01374	8.5
71.50459	0.4
73.02937	1.7
83.01373	1.4
85.02964	3.5
87.00877	2.2
97.02901	0.4
99.00903	0.6
101.02425	4.4
111.00824	0.7
113.02441	2.3
125.02452	1.2
136.07626	0.7
153.05515	1.0
172.48466	0.5
197.15462	1.4
215.16496	20.0
216.16734	1.1
227.16432	0.6
229.18063	1.3
257.17496	0.6
277.58289	0.5
283.10938	0.6
359.20724	12.6
360.21140	0.9
377.21762	47.4
378.22089	4.9
419.22821	100.0
420.23166	11.9
429.68933	0.5
472.78430	0.5
732.27789	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	733.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01379	43.5
61.98829	100.0
65.44258	1.2
71.01381	24.5
71.50951	1.8
72.99298	1.8
73.02940	6.0
80.17283	1.4
80.91698	1.5
83.01379	3.2
85.02952	9.2
87.00904	2.1
89.02445	15.7
95.01393	1.7
99.00893	1.3
101.02444	15.2
113.02442	13.7
116.92869	2.9
119.03512	5.2
119.05020	3.5
120.48008	1.3
123.04495	2.0
125.02453	2.4
127.07667	2.7
129.05576	1.6
129.97380	1.2
143.03491	2.5
147.04521	1.3
149.02341	1.4
153.05540	3.7
161.04544	4.0
163.03978	5.0
171.06650	1.2
178.10701	1.3
179.05556	2.0
193.05118	1.1
199.61386	1.2
209.11848	1.7
283.02521	2.0
284.02966	3.2
285.03452	1.9
380.69666	1.6
485.31161	1.9
515.05194	1.3
537.21130	2.9
585.39557	1.3
629.35486	24.3
630.35626	4.8
647.36450	21.3
648.36792	3.9
671.40033	2.0
689.37970	4.6
733.30676	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	733.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
57.03423	1.7
58.00588	2.6
59.01375	100.0
60.14561	1.2
60.99305	2.2
61.98828	56.6
66.42857	1.2
69.03446	2.5
71.01379	54.8
72.01733	1.9
72.99322	2.6
73.02949	9.8
80.91677	1.7
80.96509	5.3
83.01386	6.6
85.02946	18.5
87.00880	3.5
88.98802	7.9
89.02439	43.7
94.98107	1.8
95.01376	7.0
96.96008	2.7
97.02937	3.7
99.00899	2.3
101.02438	30.4
113.01727	2.5
113.02449	30.2
117.19812	1.3
119.03490	14.5
119.04974	2.8
121.03008	1.9
123.04566	2.2
125.02436	3.3
127.07658	1.9
131.03455	3.0
134.03748	5.5
135.04510	1.2
137.02452	1.6
143.03477	5.8
147.04527	2.7
149.04527	1.4
150.03160	2.2
153.05608	7.0
154.86493	1.5
160.01703	2.6
161.02391	2.0
161.04541	6.7
161.06007	1.8
163.04019	2.4
165.05586	2.9
166.96655	1.4
175.03963	3.7
179.05635	7.9
193.05183	1.5
195.06657	1.8
257.25009	1.5
283.02399	1.8
292.76654	1.5
358.10507	1.3
439.15622	1.6
467.30023	3.0
485.31372	3.4
491.82498	1.4
537.21289	16.0
538.21686	2.1
629.35339	57.1
630.35712	9.1
647.36401	57.7
648.36829	10.3
670.12323	1.5
689.37476	14.3
690.37665	3.5
733.33002	10.6
734.33337	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	733.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03435	2.5
58.00272	1.3
58.00572	2.4
58.39236	1.6
59.01377	73.1
61.98828	100.0
69.03456	1.5
69.15894	9.3
69.16319	6.0
69.72044	1.5
71.01379	40.9
72.99305	3.0
73.02939	9.2
75.00879	1.5
83.01395	4.7
85.02949	18.2
87.00857	3.4
89.02444	27.3
95.01379	4.2
96.96020	1.8
97.02930	1.8
98.20614	3.3
99.00877	2.2
101.02442	22.6
108.47487	1.5
113.02448	23.4
114.56988	1.3
116.92921	1.3
119.03490	10.5
119.04976	2.9
123.08218	1.5
125.02437	2.5
127.07602	2.2
131.03477	1.6
134.03775	2.5
143.03529	3.4
153.05603	2.2
161.04578	6.9
163.04042	3.7
165.05606	2.4
179.05609	5.4
227.03568	1.5
241.08974	1.8
283.02432	1.6
285.03287	2.8
467.29935	3.0
485.31555	4.0
537.21033	6.9
629.35376	42.8
629.45227	2.7
630.35638	8.5
647.36426	41.8
648.36810	9.6
657.53564	1.7
658.28143	1.7
671.40314	2.9
689.37317	8.9
690.38818	2.9
733.31763	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	733.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90902	2.8
59.01115	4.2
59.01378	55.9
61.98826	58.4
63.46761	3.0
70.61871	3.2
71.01374	46.2
71.21439	5.4
73.02933	7.6
83.01369	3.7
85.02960	7.1
87.00872	10.4
89.02449	34.0
97.02940	6.3
99.00928	3.3
101.02435	35.9
113.02448	16.4
119.03499	10.2
125.02428	12.9
143.03510	3.4
161.04541	8.6
165.05560	21.7
168.64252	2.8
179.05615	5.1
207.10199	3.3
208.77654	3.4
211.13391	52.2
221.06683	3.7
232.31006	3.3
235.08173	14.8
253.09256	4.0
275.20126	65.2
276.20432	4.8
287.07800	3.1
325.43549	3.2
397.08289	6.2
397.13477	100.0
398.13797	12.7
402.10974	3.2
415.14551	41.5
416.14960	4.1
609.00281	3.1
733.19977	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	733.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82267	0.8
57.03445	15.6
59.01370	2.2
61.64750	0.8
61.72420	0.7
61.98822	3.3
63.36304	0.8
69.33047	6.0
71.01380	7.5
73.02949	1.0
77.23692	0.8
77.88058	0.8
78.95940	0.9
83.05044	1.1
85.02940	1.7
86.61122	1.0
89.02459	1.3
95.05009	5.6
99.08152	48.9
100.08448	1.2
101.02450	2.9
105.03443	0.9
109.06581	1.6
113.02428	3.7
121.02951	1.0
123.04518	95.9
124.04836	3.1
125.02425	1.5
127.07646	92.1
128.07983	2.5
128.91779	0.8
129.05576	100.0
130.05891	2.7
143.03458	1.9
149.02449	0.9
152.99602	0.9
153.05571	27.0
154.05879	0.8
161.04552	20.0
161.05875	1.1
171.06616	22.6
172.07054	1.5
189.07681	4.7
195.13902	3.2
223.13408	1.5
275.20218	1.6
275.48032	1.0
279.32306	0.9
279.64578	0.9
282.50980	1.0
285.09827	5.7
288.68671	1.0
293.21207	77.3
294.21475	6.9
303.23181	0.9
317.21207	3.2
329.21161	2.5
335.22217	4.3
347.22183	1.3
359.22232	2.5
377.23242	1.5
389.23178	2.5
395.81729	0.9
419.24414	1.1
437.25308	7.4
438.25519	1.2
715.36877	1.3
733.25494	1.3
733.37860	9.2
734.38141	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	733.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
59.09451	0.5
61.98829	4.1
65.15234	0.5
69.03474	0.5
71.01370	2.9
71.50568	0.5
72.40157	0.5
73.02942	0.8
85.02919	0.6
87.00864	0.5
89.02425	1.8
101.02434	1.7
104.52872	0.5
113.02441	1.2
161.04523	1.0
179.05644	0.8
183.13896	5.9
193.12300	1.5
211.13379	100.0
212.13698	4.4
224.04784	1.5
235.08241	1.5
239.07141	0.7
253.09210	3.0
397.13443	0.8
429.21295	1.5
447.22247	8.3
448.22647	0.9
459.08972	0.6
623.34534	2.3
641.35339	1.3
733.20605	5.8
734.21289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99544	0.6
57.03440	1.9
58.00582	0.7
59.01377	6.1
61.98821	2.4
70.02087	2.7
71.01382	16.5
71.05034	1.0
72.99326	0.6
73.02953	3.5
75.00873	5.9
78.95892	2.1
83.18434	0.6
85.02949	4.7
89.02442	2.5
93.80824	0.7
95.01380	1.7
99.08137	2.6
101.02450	7.4
110.78892	0.6
113.02443	13.7
123.04516	4.7
127.07638	4.9
129.05605	1.4
132.91272	0.7
143.03458	1.4
146.96718	0.7
153.05528	1.1
153.99699	0.6
161.04503	4.2
171.06635	0.6
173.26413	0.6
173.56316	0.6
195.13803	0.6
223.16949	1.1
235.17012	8.4
275.20102	9.1
276.20538	1.0
277.21710	100.0
278.22076	10.8
287.23822	1.9
291.19818	0.7
291.23279	2.6
292.23788	0.7
293.21216	39.3
294.21524	4.0
301.21674	1.7
319.22760	25.2
320.23163	2.7
331.22723	3.9
349.23734	5.8
733.23828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98829	100.0
62.98513	0.2
63.73940	0.2
63.99257	0.3
65.91708	0.2
67.06240	0.1
70.34488	0.5
71.01394	0.7
85.02975	0.2
86.44328	0.1
88.98780	0.2
89.02449	0.2
93.03426	0.2
99.08108	0.2
101.02471	0.2
101.51991	0.2
111.00883	0.2
113.02435	0.2
115.41264	0.2
119.05022	0.2
123.04525	0.4
127.07633	0.2
153.05605	0.4
206.15082	0.1
300.56454	0.2
348.27866	0.2
365.23340	0.7
526.90009	0.2
527.28595	0.4
734.39087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93538	2.5
59.01378	29.3
61.98827	3.1
70.84693	3.6
70.85032	5.8
71.01386	20.2
78.95889	7.7
85.02950	5.2
87.00809	2.7
89.02446	26.6
89.80347	2.8
101.02433	12.9
113.02424	6.6
119.03528	18.6
152.99669	3.7
161.04573	4.5
178.66283	2.8
179.05638	12.9
221.19176	3.1
225.22278	5.1
225.38263	2.9
271.22726	5.7
277.21716	27.2
278.22049	3.1
518.45831	19.3
519.45721	3.7
536.47223	6.4
620.93457	3.1
698.52032	100.0
699.52466	30.1
734.49329	29.2
735.49164	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	735.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51533	0.5
57.03440	8.1
59.01373	1.8
61.98825	8.9
66.66330	0.8
69.12958	2.4
69.13378	3.9
70.87337	0.6
71.01367	4.5
73.02940	1.2
85.02962	1.6
85.94331	0.6
95.05006	2.7
99.08156	29.6
100.08495	1.3
101.02445	1.7
105.03462	1.8
109.06593	2.0
113.02458	2.2
123.04519	100.0
124.04845	5.0
127.07647	63.6
128.07974	2.6
129.05568	30.7
130.05872	0.9
138.03215	1.8
153.05565	71.9
154.05887	3.2
161.04536	5.3
171.06604	13.8
189.07666	7.7
201.00887	0.6
285.09769	19.1
286.10068	0.8
327.10760	0.9
331.72452	0.7
439.15927	1.2
457.17099	72.8
458.17413	7.6
458.90344	0.7
499.18588	1.5
629.24445	20.5
629.34674	1.3
630.24762	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	735.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
57.03443	2.6
58.00594	3.1
59.01377	100.0
60.01727	1.5
61.98827	61.3
71.01376	53.3
71.50144	1.3
72.99287	3.7
73.02941	8.5
75.00845	2.0
80.79948	1.2
81.03463	1.5
81.31839	1.5
83.01366	4.9
85.02936	19.2
86.49854	1.5
86.99300	1.6
87.00854	5.0
88.98792	4.0
89.02438	32.4
95.01369	5.8
97.02975	1.9
99.00848	3.3
99.08163	2.5
100.43299	1.3
101.02438	28.7
113.02447	36.2
116.92853	3.0
119.03510	12.5
119.05003	2.4
123.04523	3.3
125.02413	4.4
125.31037	1.3
127.07643	3.2
129.05588	2.7
131.03491	1.6
135.04514	1.4
143.03499	5.1
149.04495	1.7
153.05540	3.7
157.39540	1.3
161.04529	9.6
163.03967	2.4
179.05589	6.2
189.07664	1.8
226.06285	1.5
241.08641	2.8
246.50848	1.4
246.53394	1.3
273.17935	1.2
331.15356	1.6
357.99820	1.4
378.38235	1.6
457.17194	2.1
469.31525	5.4
487.32608	2.4
595.35034	1.6
619.33673	2.6
631.36938	54.8
632.37415	9.8
649.37958	56.5
650.38513	10.7
691.39417	10.7
692.39496	2.5
765.61908	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	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.48845	0.3
61.98826	100.0
71.01401	0.3
71.50643	0.5
78.95882	0.3
96.96007	0.3
101.02446	0.4
117.41249	0.3
165.05623	0.5
187.31418	0.3
209.11839	0.7
211.13515	0.6
213.05420	0.3
225.65245	0.3
241.04945	0.4
277.21762	0.4
291.19638	0.9
494.67599	0.3
525.80371	0.3
736.22388	2.6
737.23822	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	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03445	2.5
59.01377	31.6
61.98827	100.0
65.21006	0.8
69.03463	1.0
71.01379	26.0
71.50433	1.1
72.99299	1.2
73.02941	6.1
75.00886	0.7
77.65463	0.8
83.01372	4.1
85.02953	11.7
87.00871	2.5
88.98830	0.9
89.02454	7.9
95.01423	2.1
96.96072	0.8
97.02991	1.5
99.00883	2.4
99.08155	6.1
101.02446	14.6
111.00900	1.3
113.02457	10.0
119.03531	2.4
123.04528	13.4
125.02427	2.5
127.07649	8.9
129.05571	3.5
143.03526	2.2
153.05579	10.3
153.45834	0.7
153.92575	0.8
161.04568	3.2
171.06654	3.3
209.11922	1.1
222.60344	0.9
285.09851	2.8
293.21231	10.1
343.32986	0.7
397.13724	2.3
415.14948	2.5
457.17151	9.4
471.33038	3.5
489.34055	5.1
633.38544	36.9
634.38763	7.0
651.39539	28.1
652.39868	5.9
693.40851	7.1
737.23950	1.3
737.41296	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	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03444	2.9
58.00590	3.0
59.01377	100.0
61.98830	61.1
71.01381	58.0
71.50432	2.2
72.99314	3.6
73.02929	9.3
74.62539	1.5
83.01385	5.4
85.02951	16.1
87.00915	3.1
88.98822	2.4
89.02439	35.9
95.01397	6.7
99.00899	2.4
101.02448	26.2
111.00867	2.3
113.02445	32.6
115.16666	1.5
119.03506	19.5
125.02457	2.4
127.07684	1.9
129.05548	1.8
131.03500	1.8
142.49437	1.9
143.03503	5.7
149.04565	1.9
153.05540	2.5
161.04539	6.2
169.33488	1.9
179.05623	7.3
210.20912	1.5
227.71841	1.4
246.09438	1.5
267.24194	1.8
300.13702	1.4
471.33365	7.5
489.34424	2.2
513.34613	2.3
597.36560	1.7
633.28009	2.8
633.38544	58.6
634.39099	12.0
651.39502	56.9
652.39746	12.5
693.40582	14.9
694.40613	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	737.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
58.00586	0.9
59.01379	27.6
61.98829	100.0
63.87440	0.7
71.01382	22.4
72.99301	2.0
73.02934	5.4
83.01381	4.7
84.36522	0.8
85.02937	9.8
86.00101	0.9
87.00851	1.1
89.02444	7.1
95.01366	2.6
96.95987	0.9
97.02935	1.2
99.00880	1.9
99.08147	6.7
99.10027	0.9
100.08479	2.0
101.02448	13.2
111.00881	1.0
113.02451	10.4
113.03185	1.3
119.03492	2.5
121.02949	2.1
123.04536	18.1
124.01624	0.8
124.04845	5.1
125.02408	2.3
127.07657	13.9
128.07968	3.1
129.05560	6.1
129.08147	0.8
130.05925	1.3
143.03458	2.3
147.04494	3.9
153.05574	13.7
154.05933	5.0
155.06062	1.5
161.04587	4.1
163.29060	0.8
171.06578	2.4
173.07057	0.8
179.05635	1.2
189.07707	1.0
204.26941	0.7
209.04366	1.9
209.11827	1.2
219.38107	0.8
241.08641	1.5
285.09576	1.4
286.10089	1.5
287.10413	0.9
457.17230	4.3
458.17563	7.2
458.23584	1.3
459.17624	7.2
471.33411	2.8
489.34225	3.2
575.36096	1.1
576.49951	0.8
630.23877	1.1
631.25531	3.7
633.38556	31.9
634.38586	6.3
651.39600	28.8
651.50519	1.8
652.39832	6.4
693.40405	7.1
694.40802	1.6
737.23022	4.0
737.41028	3.4
738.41315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01167	0.8
59.01381	9.0
61.98828	12.3
69.03455	3.4
70.07079	3.8
71.01373	5.5
71.05032	1.6
83.05032	1.3
85.02966	1.4
89.02445	3.1
95.04137	1.0
101.02440	4.0
107.76808	0.9
107.87712	1.0
113.02441	1.9
125.09723	2.3
128.10555	0.9
128.72093	0.9
151.11275	3.6
153.12842	2.2
161.04520	1.1
161.09708	3.5
169.12334	10.8
179.10768	7.6
197.11836	52.5
198.12108	3.1
223.09663	1.2
241.10783	2.2
253.09302	2.6
260.91461	1.1
277.21719	58.5
278.22037	5.3
279.23291	2.2
325.24228	1.0
433.20605	1.1
459.18747	1.2
477.19696	1.5
485.03955	1.2
737.41132	100.0
738.41486	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.48403	0.9
59.01155	0.8
59.01380	8.2
61.98827	7.5
67.53125	0.9
69.03436	3.3
69.39326	6.4
70.52964	0.8
71.01375	6.0
71.04997	2.2
73.02933	1.5
83.05023	1.2
83.85555	0.8
85.02943	1.7
89.02434	3.1
98.19936	1.7
101.02449	4.0
113.02432	2.2
116.54028	0.8
119.03466	1.1
123.08140	1.1
125.09702	2.3
151.11285	1.5
153.12808	2.2
161.09697	2.7
169.12297	3.4
175.62143	1.0
179.10736	7.7
197.11809	90.8
198.12175	5.3
222.12105	0.8
223.09775	2.2
241.10768	3.7
253.09245	3.5
277.21695	33.4
278.22012	3.9
279.23172	2.0
322.32324	1.0
477.19516	3.3
737.41083	100.0
738.41376	24.5
738.53564	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	737.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.7
59.81527	0.8
64.58649	0.9
65.15594	0.8
69.04914	0.8
69.30009	6.1
69.30434	2.5
71.01388	1.3
80.29636	1.0
81.03452	4.1
82.49664	0.8
83.05025	11.8
95.52580	0.8
190.34734	0.9
207.14821	0.9
224.17703	1.5
225.16055	9.5
277.53317	1.1
299.35306	1.0
416.85721	0.9
433.31516	1.3
451.32944	7.5
550.43420	1.1
677.49658	100.0
678.49957	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98827	100.0
62.98540	0.2
69.92193	0.8
71.01403	0.4
89.02443	0.2
95.67097	0.2
96.96008	0.2
99.08173	0.3
99.58331	0.2
120.95519	0.2
121.02962	1.8
123.04502	0.8
127.07644	0.4
129.05595	0.2
147.04501	0.4
153.05563	0.5
209.04517	1.1
209.11920	0.2
212.22467	0.2
255.02989	0.3
279.23349	0.3
284.03418	0.2
285.04132	1.1
346.46878	0.2
392.63361	0.2
457.17145	2.2
492.87924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76408	0.2
59.01376	1.1
61.98826	100.0
69.21384	1.4
69.21793	0.4
71.01389	0.2
73.56279	0.2
77.53631	0.2
78.95922	0.3
83.05086	0.2
90.43446	0.2
95.01325	0.2
96.95992	0.3
111.43397	0.2
113.02461	0.3
121.02978	0.3
123.04537	0.4
125.02398	0.2
127.07616	0.3
129.05563	0.4
147.04517	0.8
149.38387	0.2
165.13065	0.2
209.11812	1.5
210.12244	0.4
211.13495	0.2
279.23334	0.4
291.19705	0.7
292.20001	0.4
457.16956	1.3
472.45532	0.2
490.34857	0.2
507.17297	0.2
577.24792	0.2
738.24933	0.4
739.26892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98828	100.0
62.98539	0.2
69.76202	0.8
98.19868	0.2
267.70932	0.2
399.14117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.32706	0.2
122.69765	0.2
153.01794	0.2
160.28725	0.2
183.81917	0.2
509.22739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5075
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
61.08531	3.4
61.98819	3.7
70.72029	8.4
78.95893	14.1
90.42533	3.2
151.34407	2.9
152.99599	14.9
205.84686	3.3
279.23285	100.0
280.17596	3.9
280.23578	9.2
281.25021	5.3
345.05566	3.5
738.50995	34.3
739.51056	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	739.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39189	0.8
56.08434	0.8
57.03439	4.0
59.01375	24.5
61.98827	12.6
63.02400	0.9
64.43532	0.9
65.00336	1.6
71.01382	9.6
71.50748	1.7
73.02929	2.1
75.00859	1.3
83.01386	2.0
85.02945	3.9
89.02432	3.8
93.03474	1.8
96.96018	1.0
99.00907	1.0
99.08160	17.8
101.02443	5.6
101.06041	1.0
108.02184	1.4
111.00848	1.0
112.01321	0.9
113.02464	4.4
114.49387	0.9
115.00359	0.9
117.03466	2.8
119.03516	1.4
119.04999	1.9
121.02960	1.0
123.04531	5.8
127.07647	21.8
128.08066	0.9
129.05576	25.8
135.02963	2.3
137.06079	11.6
143.03436	1.1
145.02916	1.1
147.04538	7.6
151.00386	4.0
152.21371	0.9
153.05577	14.5
153.09135	1.3
159.04457	1.4
161.04533	4.8
161.05882	1.6
161.13362	4.9
163.03964	1.8
165.05704	0.9
167.05067	0.9
169.06642	1.2
171.06647	5.5
179.05574	1.2
183.04466	6.6
185.50879	0.8
205.12337	10.1
209.11877	0.8
211.04031	4.5
213.05551	1.2
221.06616	2.3
223.13309	1.3
227.03468	10.4
235.42891	1.0
248.05203	1.0
249.11287	4.9
255.02962	67.0
256.03412	6.0
267.12354	1.7
269.04559	2.4
282.01788	1.4
283.02454	100.0
284.03043	17.6
285.04034	57.2
285.06558	0.7
286.04279	4.1
297.03925	1.4
298.68787	0.9
299.11246	1.7
309.13373	11.4
327.04965	2.6
367.17642	2.6
393.15897	1.3
427.19589	2.6
429.07980	3.6
445.07565	1.9
446.08542	15.2
447.09219	24.6
447.15402	1.3
448.09473	3.6
457.16867	1.0
471.18671	40.0
472.18857	3.5
489.10373	2.2
517.20715	5.5
518.21130	1.2
576.12634	8.1
577.04205	1.7
577.13483	36.2
577.22650	2.6
578.13501	5.1
591.13611	1.5
739.18488	27.7
740.18817	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	739.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01381	2.7
61.98837	1.7
67.19232	0.3
71.01371	3.4
73.02940	1.2
75.00871	0.5
80.02683	0.5
83.01393	0.5
85.02945	1.1
85.06593	0.4
89.02457	0.8
93.03448	0.7
95.01376	0.5
95.05022	1.9
97.06581	1.1
98.19846	0.6
98.91036	0.3
101.02427	1.9
105.03470	1.3
113.02446	1.0
113.09724	44.9
114.10041	1.6
123.04518	72.3
123.08155	1.9
124.01653	4.9
124.04855	2.7
127.07671	0.5
135.02983	1.6
140.17198	0.3
140.40085	0.3
141.09212	56.3
142.09554	2.2
143.07133	30.6
144.07495	1.1
147.04544	0.4
149.02426	0.8
153.05612	0.6
156.35005	0.4
159.03056	0.6
161.04529	4.1
167.07124	52.4
168.07484	2.6
183.04510	0.6
185.08180	11.3
186.08453	0.5
203.09244	3.8
227.03464	0.8
255.02966	6.6
256.03473	0.4
283.02463	9.3
284.03052	2.5
285.04141	6.0
285.09766	13.2
286.04440	0.5
286.10117	1.0
341.23184	1.0
429.08127	1.5
447.09344	3.2
448.09439	0.5
453.17740	0.8
471.18668	100.0
472.19012	13.6
576.12622	1.1
577.13220	1.2
739.18549	3.5
740.18970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47472	0.4
56.30703	0.4
57.03447	8.0
59.01381	5.9
61.98832	4.3
71.01382	3.2
72.99306	0.6
73.02932	1.1
75.00877	1.1
77.03986	0.5
78.03677	0.4
83.01380	0.8
85.02945	1.4
87.89720	0.4
89.02435	1.2
93.03465	0.8
95.01418	0.5
95.05021	1.8
95.08700	0.4
95.20986	0.5
97.06590	0.8
98.20657	1.4
99.00918	0.6
101.02440	2.1
105.03472	1.2
113.02469	2.6
113.09727	44.2
114.10053	1.5
115.58360	0.4
118.96519	0.5
121.02951	0.6
123.04520	83.3
124.04874	2.6
127.07668	0.8
129.05583	0.9
135.02982	2.6
138.03220	2.7
141.09215	52.2
142.09540	2.0
143.07135	38.1
144.07486	1.5
149.02400	0.9
152.04759	1.1
153.05563	0.9
161.04544	4.9
161.13347	0.8
167.07127	43.7
168.07483	1.5
185.08173	11.2
186.08586	0.7
203.09270	3.3
205.12302	1.6
215.19295	0.4
249.11255	0.8
285.09787	15.8
286.10092	1.0
341.23181	0.5
382.18948	0.5
452.54028	0.5
453.17606	1.4
471.18680	100.0
472.18979	14.0
517.20813	0.7
599.20337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53529	0.3
55.11119	0.3
57.03442	1.2
59.01376	2.0
59.63686	0.3
61.98837	0.6
63.71771	0.3
69.76235	0.5
69.76621	1.2
71.01381	2.3
72.99276	0.3
84.95747	0.3
85.02935	0.7
87.00902	0.5
89.02433	0.6
99.08155	11.9
100.08490	0.4
101.02435	0.9
112.67867	0.4
115.00375	3.7
118.98072	0.4
123.04529	1.7
127.06696	0.7
127.07645	14.7
129.05577	52.2
130.05904	1.6
133.01428	0.9
145.08687	1.7
147.04515	0.4
161.04424	0.4
163.03995	0.4
171.06627	3.7
179.05666	0.8
189.07672	100.0
190.08008	5.7
193.05020	0.5
197.09761	0.4
206.08102	0.5
283.09708	0.3
295.06476	0.4
325.07181	0.5
327.08926	0.5
345.09723	0.6
369.13245	0.4
381.13678	0.4
383.09937	2.4
384.10162	0.4
497.75568	0.4
549.25885	0.4
559.14490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62767	1.3
58.00600	1.5
59.01377	37.4
60.95123	1.3
61.98825	7.3
69.03461	2.0
70.36740	3.6
71.01380	35.9
72.99306	2.1
73.02943	5.2
75.00853	1.7
78.95920	1.7
79.20348	1.4
83.01400	3.8
85.02943	7.2
87.00882	5.9
88.20274	1.5
89.02435	26.7
90.91722	1.5
95.01393	1.5
97.02942	4.7
99.00863	2.7
101.02449	21.4
113.02441	11.5
119.03495	5.0
125.02445	10.5
143.03505	4.8
161.04541	5.5
163.11249	1.7
171.10251	7.1
179.05600	5.2
181.12314	1.9
184.23405	1.5
189.07462	1.3
197.11807	2.0
207.10243	5.3
211.13443	1.9
221.06651	1.7
225.11298	26.3
235.08214	15.7
253.09387	7.8
277.21695	28.8
278.21951	2.2
281.24826	81.2
282.25229	6.1
287.07733	3.8
305.08804	4.8
323.10080	1.6
329.26328	1.7
379.11929	2.0
397.13464	100.0
398.13818	10.3
415.08984	2.2
415.14529	37.3
416.15182	2.4
461.20288	1.8
556.73016	1.5
679.38745	3.4
713.11749	1.7
721.42578	1.7
739.41980	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84051	1.4
59.01391	8.2
60.19072	1.6
60.76242	1.5
61.98832	15.5
70.73492	2.9
71.01376	6.3
78.95893	4.3
85.02929	1.9
87.49690	1.4
89.02437	1.9
95.05046	1.7
101.02474	4.0
103.18869	1.5
109.06564	2.0
113.02472	2.3
125.09710	1.7
127.11223	2.0
152.99548	3.6
163.11258	2.5
171.10255	100.0
172.10593	5.3
189.09064	1.7
199.13368	3.9
202.73589	1.7
207.10217	8.9
225.11301	39.2
235.08165	3.1
243.12341	4.2
253.09268	10.9
277.21704	85.4
278.22021	9.8
279.23105	1.8
384.13489	1.7
407.19144	2.6
443.19104	4.0
461.20450	7.2
505.49075	1.6
721.41492	3.9
739.41223	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
61.98827	5.9
70.39478	0.9
71.01373	9.3
71.05003	2.3
73.02930	2.0
78.95905	2.1
83.04979	1.5
85.02945	1.9
89.02434	4.7
97.02937	3.5
97.06568	2.2
98.19883	2.8
99.00877	11.7
101.02433	3.9
109.06551	1.6
110.03654	1.2
113.02431	1.8
119.03487	1.1
123.08152	1.0
125.09724	4.9
129.12218	0.9
153.12794	1.1
161.04608	1.3
163.11311	5.7
171.10278	9.0
181.10863	1.1
181.12323	13.3
182.12646	0.9
197.11790	1.8
199.13383	25.6
200.13522	1.5
201.11356	1.0
207.10237	29.6
208.10472	2.3
211.13246	2.0
225.11296	68.9
226.11594	3.3
229.78563	1.1
235.08191	3.0
243.12355	11.6
253.09315	6.3
277.21683	55.7
278.22052	5.1
461.20224	13.4
462.20459	1.2
479.21283	3.9
721.41644	4.6
722.41827	1.8
739.42627	100.0
740.43140	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
61.98816	6.0
64.99707	1.5
70.91586	2.6
71.01374	6.4
71.05004	2.6
78.95885	6.4
83.67714	1.5
89.02435	4.2
97.02898	3.9
97.06570	3.4
99.00874	11.0
101.02412	5.4
113.02447	3.3
125.09724	6.3
129.88315	1.8
131.59575	1.7
149.69174	1.9
152.99617	3.2
163.11258	7.0
171.10229	10.3
176.45316	1.8
177.27330	1.7
181.12320	10.7
199.13412	11.0
207.10246	29.0
225.11308	42.8
226.11618	2.4
235.08214	3.8
243.12283	5.4
253.09338	6.3
277.21719	77.1
278.22153	8.1
279.23352	3.1
291.19440	1.7
293.21133	3.0
309.13477	1.5
372.90518	1.6
461.20248	2.6
721.41522	5.5
739.42700	100.0
740.42999	20.3
754.63153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
60.73616	0.2
61.98828	5.3
64.26881	0.2
66.79766	0.2
69.03452	0.4
69.32143	0.6
69.32552	0.9
71.01379	1.5
73.02959	0.3
78.32770	0.2
83.01431	0.4
83.05038	0.4
85.02966	0.5
87.00851	0.3
89.02450	1.3
95.04996	0.3
96.12507	0.2
97.02928	0.2
98.20608	0.3
101.02456	1.5
109.98381	0.2
113.02455	0.7
119.03425	0.4
147.04555	0.7
155.10732	0.2
160.20609	0.2
161.04532	0.4
163.11241	0.2
165.12836	5.3
166.13237	0.2
167.14388	0.7
183.13882	8.2
184.14214	0.5
193.12292	2.1
211.13379	100.0
212.13724	5.4
247.20654	3.0
253.09273	8.8
254.09651	0.3
273.18570	1.6
291.19647	47.8
292.19983	4.5
367.45010	0.2
381.61990	0.2
419.94263	0.2
429.24701	0.4
514.35431	0.2
703.29236	0.3
764.88544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29324	1.6
59.01361	5.8
61.98819	11.3
69.18957	9.2
69.19383	6.8
71.01373	4.8
74.35959	1.5
78.58959	1.7
78.95905	3.9
89.02443	2.1
95.05013	1.9
101.02415	3.6
113.02465	2.3
128.73611	1.9
152.99557	2.7
171.10242	54.0
172.10562	3.0
207.10161	4.6
225.11293	20.3
235.08194	8.4
243.12233	2.2
253.09280	6.7
277.21692	100.0
278.22028	9.9
279.23148	2.6
443.19208	3.3
739.13452	1.9
739.41534	4.4
752.41620	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	739.4273
Annotation	Curillin G
Peak:m/z	Relative Intensity
57.03438	1.2
59.01377	14.8
60.09509	0.9
61.23838	1.0
61.98827	100.0
62.98474	1.1
64.50628	0.8
69.92880	1.7
69.93286	2.4
70.60682	0.9
71.01019	1.2
71.01382	14.8
72.99271	1.0
73.02936	4.6
83.01384	3.0
85.02942	8.6
87.00880	0.8
89.02436	3.5
95.01363	1.3
96.95992	1.1
97.02964	1.0
98.20570	1.5
99.00845	1.6
101.02438	11.1
104.64131	0.8
113.02450	6.3
119.03484	1.9
119.04969	1.0
123.04472	1.0
125.02398	0.9
147.04483	4.9
161.04536	1.6
171.06633	1.5
211.13419	2.7
255.06622	1.2
286.07010	1.2
291.19516	1.0
309.20679	1.1
415.32172	9.9
416.32504	2.1
577.37457	2.7
635.40063	1.6
653.41205	1.8
739.42676	49.6
740.43079	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98827	100.0
71.01386	0.2
72.99303	0.3
75.00871	1.5
80.73053	0.1
89.02431	0.2
101.02489	0.2
170.74928	0.1
173.41620	0.1
183.13916	0.7
198.07719	0.1
209.11902	0.3
211.13504	0.3
267.56128	0.1
279.23511	0.2
280.23621	0.2
293.21338	0.4
294.21689	0.3
309.20703	0.2
397.13770	0.2
399.13919	0.2
740.43555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40764	0.2
61.98827	100.0
67.01501	0.2
94.66563	0.2
98.19886	0.6
125.57774	0.2
229.43250	0.2
399.14023	0.2
443.83823	0.2
513.22919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
61.98826	100.0
71.01389	0.4
71.51115	0.4
74.22602	0.2
89.84916	0.2
94.48309	0.2
94.52782	0.2
99.45994	0.2
101.02455	0.3
104.60081	0.2
108.06346	0.2
114.25037	0.2
119.05040	0.2
160.80191	0.2
163.04053	0.2
171.10239	0.3
183.13887	0.3
197.44221	0.2
209.11864	0.6
210.12216	0.4
211.13396	1.1
212.13774	0.4
253.09286	0.3
277.21817	0.3
279.23434	0.3
280.23660	0.3
293.21301	0.4
294.21552	0.3
309.20892	0.3
339.49469	0.2
384.51410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93081	0.1
59.01376	1.4
61.98827	100.0
62.98528	0.2
71.01382	0.2
85.02989	0.1
89.02462	0.1
93.77579	0.1
96.80537	0.1
98.19893	0.2
101.02464	0.1
113.02484	0.1
115.00394	0.1
133.01422	0.2
186.62042	0.1
188.40530	0.1
283.13516	0.1
330.78699	0.1
387.20505	0.1
425.66412	0.1
429.21054	0.6
625.24915	0.1
679.50635	0.3
680.50641	0.5
740.49268	1.2
741.50122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01373	1.3
61.98829	34.2
62.80689	0.3
63.99252	2.7
71.01391	0.9
71.50642	0.4
71.51028	0.5
75.00901	0.5
77.03967	1.7
83.05013	0.4
83.54881	0.3
86.36407	0.4
93.03458	0.6
99.20132	0.4
101.02447	0.5
104.39001	0.4
109.95329	0.4
111.31709	0.3
112.98817	0.5
121.02953	100.0
122.03288	2.9
133.58098	0.3
137.02470	0.5
155.73167	0.4
158.94025	0.4
165.01920	72.6
166.02248	3.0
171.10297	0.6
180.05847	0.4
181.06583	3.0
190.71494	0.4
191.03500	1.7
195.13933	0.5
209.11775	3.4
210.12108	1.3
211.13351	1.8
212.13699	1.1
225.05573	1.4
227.12878	0.6
253.09323	1.3
271.75772	0.4
271.78995	0.4
277.21640	0.6
283.25458	0.4
291.19696	1.1
293.21164	2.6
294.21674	1.3
309.20746	0.6
310.20874	0.5
311.81763	0.4
313.07056	1.7
342.63510	0.4
357.06125	11.1
358.06577	0.8
398.63074	0.4
549.10730	0.4
575.12207	0.4
741.14551	4.9
741.43884	0.5
742.15179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82133	3.7
56.99756	3.5
57.03399	3.7
57.54066	4.0
59.01112	5.6
59.01380	90.5
60.99287	3.7
61.98819	7.7
71.01376	100.0
71.05016	6.4
71.50518	3.6
72.99291	5.8
85.02923	9.1
87.00881	5.5
89.02444	85.9
93.03443	4.6
95.01335	4.5
99.04500	4.8
101.02443	27.9
101.06087	5.3
111.00859	6.4
113.02429	28.5
115.00371	65.8
115.07647	25.1
118.53680	4.1
119.03530	34.2
119.04999	14.7
123.04508	49.4
124.04903	3.8
125.02428	17.7
131.03461	6.6
133.01439	21.8
133.02911	3.9
134.03712	9.4
135.04552	4.1
143.03442	12.5
145.05058	10.2
150.31468	4.1
161.04535	17.8
161.06012	5.2
163.04007	5.7
165.05298	3.6
166.02679	12.1
169.05063	8.6
179.05595	60.7
181.05060	21.3
187.06108	9.6
226.34264	3.9
235.07585	5.3
269.04419	5.3
279.06699	4.9
280.07199	4.8
281.08188	14.4
293.08224	5.4
308.10284	4.4
309.07690	51.9
323.09305	12.3
324.09982	35.2
325.10092	5.5
327.08597	9.0
339.12329	75.3
357.09784	57.7
358.09897	6.0
383.09796	37.5
385.10349	6.2
401.06543	4.7
401.10831	35.2
417.15302	24.7
418.06924	4.7
419.07605	10.9
473.16489	23.1
498.06021	4.3
564.13837	4.4
581.12836	23.9
597.30219	4.8
660.61835	5.0
734.68701	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	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81491	3.1
58.00584	4.0
59.01375	89.0
61.98805	4.8
70.19447	3.6
71.01382	100.0
71.05003	8.5
71.50707	6.8
72.99311	9.2
73.59628	2.8
85.02919	10.7
87.00874	3.6
88.98794	4.8
89.02445	98.1
93.03445	5.0
93.48453	3.5
95.01353	4.4
96.99287	6.2
96.99880	3.2
99.04483	3.8
101.02431	32.8
110.56744	3.7
111.00862	6.6
113.02441	29.4
115.00374	73.7
115.07659	27.7
116.00687	4.1
119.03512	40.9
119.04995	11.2
123.04520	61.9
125.02437	17.2
126.18040	3.3
131.03468	5.5
133.01421	21.1
134.03734	8.5
143.03438	11.0
143.05031	6.2
145.05061	12.7
149.04601	5.1
161.04549	18.0
163.03998	8.6
165.07979	3.1
166.02644	11.0
166.35379	3.6
169.05115	4.8
179.04143	5.9
179.05589	71.3
181.05058	18.7
187.06044	11.8
193.04991	4.4
241.05040	4.1
251.07111	7.2
263.07153	5.1
280.07501	5.8
281.08154	13.2
285.09827	5.0
309.07663	64.7
310.07904	7.0
323.09265	12.4
324.06653	5.0
324.10062	39.4
325.10486	4.8
327.08643	11.4
330.68439	4.2
339.12314	67.9
340.12769	6.6
353.58514	3.4
357.09811	51.2
358.10092	6.3
383.09924	33.8
384.10324	6.2
401.10971	31.3
402.11621	4.1
417.15460	22.9
419.07629	10.9
473.16388	22.9
581.12915	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	741.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32438	0.9
57.03444	6.1
58.44936	0.8
59.01376	10.4
61.98833	3.1
68.31162	1.0
69.59258	6.0
71.01375	4.2
73.02961	1.3
76.46686	1.0
79.93721	0.9
83.05015	0.9
85.02968	2.5
93.03452	2.2
93.50626	0.9
95.05002	1.7
99.08157	29.4
101.02446	3.6
102.91232	1.0
105.03437	2.2
109.06598	1.4
113.02457	2.5
121.02952	8.1
123.04520	100.0
124.04852	3.4
127.07646	45.6
128.07974	1.9
129.05577	33.6
136.47586	0.9
138.03247	1.2
139.04008	15.3
144.44582	0.9
153.05571	53.5
154.05901	3.0
161.04521	5.1
163.60945	1.1
171.06654	9.4
175.89580	0.8
189.07686	28.6
202.39078	0.9
213.92926	0.8
220.18784	0.9
285.09760	16.9
296.35010	0.9
301.09335	4.1
429.20996	1.1
457.17130	75.4
458.17426	9.0
473.16638	32.2
474.17032	4.1
741.25983	5.0
742.26135	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	741.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03442	0.9
59.01377	100.0
60.01708	0.9
60.77885	0.6
63.50213	0.6
70.23894	2.4
71.01378	17.1
72.99307	1.7
73.02940	3.9
81.24200	0.6
83.01395	1.7
85.02955	5.3
86.12051	0.7
89.02431	6.4
93.03459	0.8
95.01399	1.2
99.00893	2.0
101.02431	10.0
111.00864	1.0
113.02457	5.2
115.00364	8.9
116.30442	0.6
119.03529	2.1
119.05070	1.5
123.04506	5.9
125.02425	0.6
133.01453	2.7
134.03770	1.2
138.05774	0.6
143.03523	0.7
143.05023	0.6
159.02904	0.7
161.04547	5.3
163.04074	0.8
165.09230	1.8
179.05649	2.0
205.72746	0.6
241.05223	0.8
251.07169	1.0
269.04483	0.8
269.10327	12.1
279.03888	0.7
280.07321	1.2
285.10080	1.0
297.04221	0.7
311.11395	5.7
357.09796	7.1
383.10022	2.6
385.18762	1.1
392.64630	0.6
401.11111	3.6
419.07797	1.8
563.12860	0.8
581.13196	4.4
582.13519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.7
61.98825	5.8
69.85311	0.7
71.01392	4.5
71.27744	1.4
73.02947	2.0
80.02663	1.0
81.03451	1.6
83.05032	4.5
84.02143	0.8
85.02940	1.3
86.05508	0.9
87.00885	1.0
89.02438	3.7
96.01184	0.7
101.02465	4.2
113.02493	2.0
119.03522	1.2
120.26609	0.8
125.06147	0.7
125.09689	2.2
127.11262	2.7
135.08192	1.0
161.04559	2.5
163.11241	3.5
165.12758	1.9
171.10223	1.5
181.12323	0.9
191.10725	0.9
201.11308	43.7
202.11621	1.9
209.11815	96.8
210.12125	6.6
221.69403	0.9
227.12881	11.7
228.13185	1.1
235.08154	6.0
253.09312	16.2
259.20490	1.1
277.21707	100.0
278.22058	10.5
282.51233	0.9
304.78012	0.8
358.51672	0.8
360.30176	0.8
437.20099	2.0
445.20886	2.0
513.30341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
59.01376	5.1
61.98825	58.8
67.99744	0.6
71.01380	3.2
71.50936	0.9
73.02934	1.5
78.95900	0.8
80.02650	0.6
81.03448	0.9
83.01366	0.8
83.05019	3.7
85.02938	1.3
86.07735	0.5
87.00916	1.2
89.02439	2.1
101.02424	3.4
109.06618	0.6
111.48878	0.6
113.02420	2.3
119.03502	0.9
125.09696	1.5
125.81577	0.6
127.11279	2.0
143.03494	0.9
152.99588	0.6
155.10786	1.1
161.04564	1.4
163.11288	3.1
165.09192	0.9
165.12825	2.6
171.10249	1.3
183.55260	0.6
191.10690	1.1
199.09712	0.8
201.11298	38.8
202.11685	1.8
209.11801	100.0
210.12163	6.7
227.10789	0.8
227.12894	13.9
228.13239	0.7
235.08195	4.4
236.08469	1.0
253.09232	13.8
254.09514	1.0
259.72351	0.7
277.21695	84.6
278.21997	8.0
399.13870	0.8
425.84241	0.7
437.20245	1.5
443.31912	1.0
445.20688	1.2
461.32700	0.7
513.30438	0.8
673.86359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.2
59.14746	0.1
61.98828	100.0
71.01384	0.2
76.76359	0.2
88.98795	0.3
89.02464	0.2
98.20665	0.4
201.11365	0.2
209.11711	0.3
272.25330	0.1
277.21674	0.3
278.22205	0.2
282.25348	0.2
333.51569	0.2
397.13556	0.2
444.03552	0.2
526.74567	0.2
542.18561	0.2
619.02863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47124	0.2
59.01369	1.0
59.83236	0.2
61.98828	100.0
62.10496	0.2
71.01393	0.5
71.50896	0.2
73.02941	0.3
75.56270	0.2
78.95930	0.2
83.05057	0.3
89.02431	0.2
99.03433	0.2
101.02451	0.4
113.02439	0.3
127.11253	0.2
165.12845	0.2
201.11324	3.0
202.11711	0.8
209.11792	6.1
210.12189	2.5
227.12827	1.1
228.13335	0.3
235.08226	1.0
251.50644	0.2
253.09302	1.1
254.09697	0.5
277.21695	8.3
278.22031	6.1
278.24893	0.4
279.22464	0.3
398.14206	0.2
433.67145	0.2
453.19855	0.2
742.43854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.2
59.01374	7.6
61.98827	74.3
71.01378	5.2
71.10646	0.7
71.10973	0.9
72.99303	1.2
73.02947	1.6
73.52104	0.6
83.01360	0.6
85.02948	0.8
87.00835	0.8
88.98820	0.6
89.02441	1.4
99.07551	1.1
99.08157	11.6
100.08437	0.6
101.02438	1.6
108.02184	0.7
113.02461	1.2
115.00373	3.3
119.03419	0.8
119.05037	3.1
121.02925	1.2
123.04522	2.3
127.07642	15.0
127.08556	1.1
128.08023	0.8
129.05574	47.2
130.05888	1.6
134.03706	0.9
135.04549	0.6
137.02443	5.7
138.02776	1.7
139.03003	0.6
140.91283	0.6
145.02960	2.0
145.08714	1.5
147.04485	0.7
149.65674	0.6
153.05585	1.0
161.04503	0.9
163.03999	4.7
165.05487	0.7
171.06578	3.4
175.02444	2.5
175.03807	0.6
178.02757	0.5
180.73242	0.7
189.07671	100.0
190.07994	4.1
193.05045	1.8
211.13377	2.3
213.45157	0.6
221.06712	0.5
230.44743	0.5
255.10236	1.2
265.88455	0.6
298.67346	0.7
302.51144	0.6
320.64734	0.6
359.11429	1.3
369.14227	0.6
383.09830	1.2
401.10828	1.6
409.15060	1.9
429.30396	0.6
431.22925	2.7
581.19293	0.6
606.20770	1.0
625.24805	1.0
680.58350	0.7
743.27399	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	743.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71222	0.6
55.01880	0.9
56.13436	0.6
59.01377	100.0
60.01719	1.4
60.17310	0.6
60.90565	0.6
61.98819	1.6
64.43753	0.6
69.49425	1.2
69.49830	4.1
71.01378	12.3
71.01737	1.0
73.02937	3.9
83.01392	2.1
85.02953	5.0
87.00880	1.8
89.02459	2.8
92.56654	0.6
95.01362	0.7
99.00889	1.8
101.02449	7.6
111.00878	8.7
113.02451	4.4
115.00403	1.0
123.04530	0.8
130.47914	0.6
143.47137	0.6
159.03055	1.0
161.04573	5.5
173.00902	1.5
187.75264	0.6
214.00082	0.7
269.10309	10.6
311.11349	8.2
312.11761	1.1
322.31357	0.6
387.20355	2.5
443.38739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
59.01377	100.0
60.01711	0.8
60.86000	0.5
61.98822	5.6
69.47160	3.0
71.01380	5.5
72.99330	0.7
73.02943	2.2
83.01403	0.7
85.02934	3.0
88.98819	1.6
89.02435	1.4
95.94413	0.4
99.00876	1.0
100.17115	0.4
101.02440	4.7
111.00919	1.8
113.02457	2.0
115.00388	0.5
121.02942	0.5
143.03546	0.5
145.48734	0.5
147.00337	0.4
161.04611	3.2
173.67863	0.4
189.32018	0.5
191.02252	0.5
194.53465	0.5
269.10306	4.3
311.11334	4.7
312.11557	0.5
387.20132	3.4
388.20822	1.0
699.43506	0.6
727.06213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83719	0.3
59.01352	0.8
60.99302	17.8
61.98840	1.7
70.36860	0.8
71.01375	0.5
77.85586	0.3
78.95908	0.4
87.00863	1.7
87.57462	0.3
88.00401	4.4
88.98800	100.0
89.02437	20.3
89.20280	0.3
89.99139	1.1
92.65746	0.3
95.75978	0.3
175.80280	0.3
183.46254	0.3
189.63054	0.3
230.77916	0.3
244.05208	0.3
255.23349	0.9
265.07260	0.9
277.21790	0.4
335.94476	0.4
397.13455	1.8
399.84119	0.3
415.14743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	51.6
63.42552	9.4
70.51752	28.6
78.95899	100.0
82.00784	9.8
152.99602	38.1
157.76003	9.4
171.10175	12.6
211.13362	50.2
255.23454	13.9
277.21759	25.9
431.21460	12.2
620.52063	9.5
694.10614	12.6
743.44843	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92333	0.1
59.01355	0.1
60.00082	0.1
61.98825	100.0
62.98523	0.1
68.88487	0.1
71.01403	0.2
78.39346	0.1
89.02457	0.1
92.54149	0.1
94.08428	0.1
135.04491	0.1
179.03450	0.1
228.22763	0.1
229.03052	0.1
258.22443	0.1
283.26459	0.1
398.14020	0.1
399.13773	0.1
695.98761	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	745.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93874	1.4
57.03450	3.1
59.01379	21.9
61.98830	67.8
69.25118	5.6
69.25542	6.6
70.19427	1.2
71.01395	8.4
71.29812	1.2
72.99310	1.9
73.02927	2.5
85.02947	4.4
88.98792	1.9
89.02446	4.0
93.03519	1.4
95.01357	1.4
96.96000	1.3
99.07561	2.0
99.08152	18.6
101.02446	5.3
113.02435	4.1
119.03470	1.6
123.04526	25.6
127.07655	29.3
129.05580	28.6
138.03166	1.5
153.05579	34.5
161.04573	2.8
163.03975	2.7
165.05484	7.0
171.06589	8.3
183.13617	1.3
229.57962	1.4
249.07428	1.3
253.09149	1.6
267.12274	1.5
285.09711	2.8
309.09726	1.6
358.44162	1.5
439.16086	3.9
441.17630	100.0
442.17923	9.8
457.17090	31.6
458.17538	4.5
477.23273	13.0
539.28979	1.6
584.21503	1.8
585.80060	1.4
745.25110	5.7
745.37994	2.6
774.88812	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	745.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
59.01382	19.7
61.98833	68.0
63.62011	1.3
69.36632	1.1
71.01388	9.5
72.99284	1.4
73.02968	2.2
75.00877	1.4
78.91902	1.6
83.01391	1.7
85.02940	1.5
88.98821	1.8
89.02426	4.3
98.20698	2.3
99.08167	19.1
101.02425	5.0
103.05578	1.3
107.05002	1.2
113.02462	5.5
113.37352	1.3
116.44415	1.4
119.03498	2.4
121.02946	1.8
123.04534	31.6
124.04826	1.6
127.07657	29.8
128.07935	1.5
129.05583	35.0
131.12761	1.2
150.05356	1.5
153.05577	35.5
154.05962	2.1
161.04544	3.1
163.03963	1.6
165.05568	6.6
171.06645	9.8
183.13817	1.4
189.07732	1.5
211.13513	1.3
269.10413	3.0
285.09833	3.5
309.09857	2.6
433.24771	1.8
439.16263	5.9
441.17642	100.0
442.18091	10.8
457.17212	33.8
458.17316	3.5
477.23361	13.1
621.60620	1.3
650.06219	1.5
745.24554	6.9
745.37708	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03442	1.5
58.00589	4.5
59.01376	100.0
60.01704	0.8
61.98827	78.7
66.94888	0.6
68.98593	0.6
71.01377	63.4
72.01717	1.0
72.99315	5.2
73.02950	1.6
75.52102	0.6
83.01382	2.4
85.02940	10.1
87.00876	3.4
89.02440	80.0
90.02763	1.2
92.50752	0.6
93.03465	1.8
95.01378	4.4
96.41196	0.6
98.81062	0.6
99.00874	0.9
101.02437	36.2
102.02777	0.6
103.24842	0.6
113.02441	22.3
114.02715	0.8
119.03492	32.6
121.02916	3.1
121.33760	0.7
122.03746	5.7
122.34891	0.6
123.04524	0.8
125.02428	0.6
131.03485	2.4
133.02873	1.3
135.04460	0.7
136.01633	0.9
143.03479	5.6
149.02434	10.4
149.04517	2.4
149.06013	0.7
150.03224	28.9
151.03600	1.3
153.05554	1.7
154.35718	0.7
161.04535	5.0
163.04015	0.8
164.04776	1.0
165.05565	26.8
166.05884	1.1
175.02446	0.7
175.03966	0.8
179.05615	9.8
179.07100	0.7
180.04222	1.4
180.05763	0.6
191.65778	0.6
195.06644	17.0
196.06871	1.0
214.81848	0.6
244.07303	0.7
259.33890	0.6
268.07379	1.4
271.09576	0.7
280.07285	1.1
283.09634	0.7
294.09027	0.7
296.06766	1.5
308.06833	2.9
309.07452	1.4
311.08975	2.1
322.08374	1.1
323.09128	3.7
324.06073	1.5
324.09631	1.2
326.20761	0.6
337.10614	0.8
338.11310	1.8
339.08673	14.7
340.08994	1.7
354.11044	4.9
369.13364	23.3
370.13596	3.1
494.37808	0.7
500.41644	0.6
517.18622	9.8
518.18445	2.0
583.21484	1.0
745.26898	2.2
746.25848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03447	1.2
58.00581	2.6
59.01377	61.1
61.98827	100.0
63.96883	0.8
64.63920	0.8
66.84630	0.8
69.37347	1.7
69.37742	5.8
71.01377	42.2
72.01708	1.0
72.52979	0.8
72.99312	4.2
73.02950	2.2
83.01381	2.4
85.02962	6.3
87.00867	2.2
89.02438	51.8
90.89280	0.7
93.03463	2.7
95.01392	3.1
99.00838	0.9
101.02435	24.1
113.02440	16.9
113.03175	1.5
115.00410	1.0
119.03496	20.0
119.04953	0.9
120.03870	0.8
121.02938	5.7
122.03724	8.4
122.06095	1.0
123.04501	1.6
125.02446	1.7
127.07657	0.9
131.03502	2.5
135.04543	2.6
136.01660	5.2
137.02432	1.7
143.03490	3.6
149.02440	11.3
149.04538	1.4
150.03224	50.7
151.00423	1.1
151.03992	5.9
153.05583	1.8
161.04532	3.9
164.04778	2.3
165.05557	41.5
166.02744	4.0
166.05922	2.0
167.03500	1.0
175.02536	0.8
175.03932	1.2
179.05663	6.1
180.04243	3.2
181.05086	3.8
182.05408	0.9
190.06276	2.3
195.06609	28.0
213.73886	0.9
251.59918	0.8
268.07413	1.3
280.07458	1.1
283.09677	1.1
297.07596	1.1
308.06790	1.3
311.09207	1.2
322.08243	1.2
323.09119	3.3
324.06705	0.9
324.10052	1.8
339.08676	11.0
339.12503	1.3
340.08960	1.1
354.11011	2.9
355.11664	0.9
357.09668	2.2
357.13428	2.1
369.13412	17.8
370.13693	2.4
387.14468	10.0
388.14807	1.4
391.49069	0.9
448.45850	0.8
452.08896	0.9
463.66824	0.8
477.23148	1.1
517.18268	1.0
535.19684	14.9
536.20038	3.4
583.21796	11.0
584.22070	2.2
736.35510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96362	0.3
56.19874	0.3
57.03452	6.8
59.01382	29.1
59.20533	0.3
60.01712	0.4
61.98833	15.0
69.36619	2.6
71.01384	4.8
73.02948	2.0
83.01405	0.9
83.05030	0.9
84.39977	0.3
85.02975	1.9
89.02435	1.8
92.57401	0.3
93.03467	0.7
95.01381	0.4
99.00878	0.3
99.08163	34.3
100.08500	1.0
101.02442	3.5
101.06085	2.1
104.09324	0.3
109.06584	1.0
110.00101	0.9
111.00884	0.5
113.02453	1.8
119.03500	1.0
119.05017	0.5
122.03759	0.3
123.04533	4.0
124.04875	0.3
125.06084	0.8
127.07659	48.2
128.08005	2.3
129.05586	100.0
130.05923	3.2
138.03241	1.1
143.03517	0.5
143.07118	0.3
150.03230	2.8
151.00395	1.5
151.04057	0.3
152.01195	0.4
153.05580	41.0
154.05940	1.4
161.04562	2.5
163.04010	0.6
165.05569	2.7
171.06631	9.2
178.99907	1.0
179.05612	0.5
189.07626	0.4
195.06641	3.0
221.06718	0.7
224.05032	0.4
257.08191	0.7
263.11429	1.4
265.08768	0.5
291.10822	0.5
305.12436	4.5
306.12628	0.4
341.10522	0.4
386.79770	0.3
387.05057	0.4
387.14471	0.5
417.17535	4.5
435.18707	26.3
436.19135	2.8
459.18787	3.9
460.19220	0.7
477.19769	90.2
478.20120	12.7
723.66083	0.4
745.14465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.7
57.28042	2.5
58.56488	2.1
59.01379	76.7
61.98833	60.7
70.64960	6.6
71.01377	21.1
72.99293	2.8
73.02946	4.2
76.37487	2.7
83.01396	3.8
83.05021	34.1
85.02949	8.6
87.00888	2.4
88.98809	8.6
89.02438	2.5
92.81184	2.3
98.15295	2.4
99.04504	4.0
101.02443	8.3
111.08234	3.3
113.02434	6.0
118.68266	2.2
118.69205	2.3
121.06580	3.7
122.03743	5.2
123.04535	5.4
125.02403	2.9
127.04010	100.0
127.07663	6.9
128.04399	2.9
137.06091	9.0
139.07660	28.3
140.08058	2.5
147.04558	4.5
153.05588	8.9
163.03989	3.3
165.05566	17.2
174.01672	4.6
189.07669	2.2
198.06798	2.6
211.13354	3.4
369.26645	2.4
439.16080	3.4
453.32547	5.4
513.30762	17.1
514.30823	3.2
531.31964	8.0
573.32843	5.9
573.45563	2.5
591.34314	3.9
597.36334	36.2
598.36554	3.4
615.37476	24.2
616.38354	3.7
627.37305	2.6
657.38733	15.8
683.36285	4.4
701.37622	30.6
702.37646	4.9
734.60327	2.7
745.38623	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	746.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
60.01721	0.2
61.98827	100.0
62.99256	0.2
63.99249	0.7
69.54202	1.2
71.01382	2.6
72.99313	0.6
76.65501	0.2
85.02963	0.5
88.98802	0.2
89.02444	2.2
89.65565	0.2
95.01428	0.2
98.20680	0.2
101.02433	1.2
102.98330	0.2
113.02478	0.8
115.00408	0.2
119.03518	0.8
119.05004	0.4
123.04602	0.3
125.02412	0.2
143.06448	0.2
145.02946	0.3
147.04578	0.6
149.02490	0.2
150.03212	0.7
153.05620	0.4
161.04608	0.2
163.03998	0.2
165.05533	0.8
177.05594	0.2
179.05643	0.3
191.03424	1.3
192.03796	0.4
195.06705	0.4
209.04523	2.4
210.04962	0.6
245.46031	0.2
266.99887	0.2
283.02524	0.4
311.08865	0.2
369.13403	0.4
370.13956	0.3
439.15854	0.2
477.13882	0.9
478.14267	2.7
479.25134	0.5
683.38885	0.6
746.38525	0.2
747.34375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.39227	0.2
78.95905	0.3
116.11414	0.2
140.47792	0.2
211.93199	0.2
215.05208	0.2
250.15108	0.2
255.23430	0.5
259.93820	0.2
507.48911	0.2
541.29742	0.2
747.40619	0.3
776.06934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.5
61.98814	2.0
70.04529	6.2
71.01380	15.3
72.99286	2.2
85.02953	2.8
89.02434	20.9
95.01379	1.9
98.20338	3.2
100.02991	1.4
101.02446	10.6
113.02411	8.8
119.03517	12.9
119.60828	1.4
134.53487	1.5
143.03467	4.5
149.04514	1.5
161.04584	3.5
172.11508	1.4
179.05612	10.7
225.22183	4.5
255.23242	2.0
271.22830	2.8
532.47284	15.7
533.47693	5.3
550.48273	6.2
712.53632	100.0
713.53943	26.0
748.51410	26.1
749.51880	5.8
756.99811	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01380	60.7
60.01732	0.7
65.04829	0.5
71.01382	16.8
71.50244	0.6
72.99294	1.4
73.02952	3.2
83.01396	2.4
84.06736	0.5
85.02927	3.4
87.00877	24.0
99.00882	1.1
101.02460	5.0
111.00858	0.9
112.98781	0.6
113.02442	2.9
115.00372	34.6
116.00742	0.8
116.68145	0.5
118.21841	0.6
119.05024	1.5
123.04597	0.9
124.42603	0.5
127.00372	0.7
131.03462	0.5
139.00356	0.7
145.02820	0.5
152.26120	0.4
153.05597	1.4
157.01430	1.6
159.02895	0.7
161.02626	0.5
161.04588	2.8
163.04005	1.6
175.02475	100.0
176.01399	0.5
176.02774	3.1
180.25537	0.5
187.07555	0.9
269.10248	5.9
307.08307	0.7
311.11325	4.7
393.12024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98824	0.6
69.03422	0.1
71.01373	1.1
73.02964	0.2
77.03983	0.2
79.05524	0.5
81.07085	4.0
83.01385	0.2
83.05023	1.4
85.02961	0.7
89.02438	0.3
93.03473	0.5
94.04235	0.7
95.01374	0.2
95.05018	0.9
97.29488	0.1
101.02436	0.7
105.03454	0.3
107.05096	0.1
109.06586	6.1
110.06907	0.3
113.02438	1.4
115.05504	0.2
117.03469	0.1
119.03503	0.5
119.05043	0.2
121.02986	0.5
123.04519	19.2
124.04856	0.6
125.06071	0.5
127.07647	14.1
128.07964	0.5
131.05016	0.2
131.61169	0.1
133.06564	0.4
138.03223	7.8
139.03508	0.3
143.03487	0.1
147.04520	2.9
148.04887	0.1
149.02426	0.4
153.05565	100.0
154.05902	4.3
155.07109	0.2
161.04562	1.0
161.06075	1.2
171.06616	13.4
172.06943	0.6
187.11290	0.3
189.05545	0.9
201.05531	0.2
215.10634	0.1
233.11827	0.2
235.33023	0.1
285.09738	0.6
439.16043	44.7
440.16367	6.2
587.87433	0.1
685.79016	0.1
747.95642	0.1
749.26740	0.5
750.27563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
70.80795	0.6
70.81116	0.7
71.01375	2.0
81.07099	4.2
83.05024	1.2
93.03469	0.7
95.05013	0.9
101.02444	0.6
103.05574	0.4
105.03496	0.6
109.06578	6.7
113.02435	1.0
121.02936	0.4
123.04521	19.7
125.06103	0.6
127.07649	14.7
131.05043	1.9
133.06570	0.5
136.35356	0.5
138.03232	9.2
147.04526	8.9
148.92444	0.4
153.05568	100.0
154.05933	4.3
161.04698	0.7
161.06067	7.7
171.06622	11.7
189.05569	1.9
215.03908	0.5
217.13176	0.6
236.48213	0.5
412.26563	0.4
439.16046	32.9
440.16437	3.5
453.56284	0.4
680.29144	0.5
690.08887	0.5
699.25940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01966	0.6
59.01370	1.7
70.34356	2.3
71.01378	1.7
79.05527	0.6
81.07087	3.6
81.66029	0.6
83.05007	1.1
85.02954	0.6
93.03440	0.7
93.96504	0.7
104.84243	0.6
109.06593	6.3
109.22978	0.7
113.02439	1.4
121.02862	0.7
123.03632	1.2
123.04521	18.2
124.04831	0.8
127.07655	15.4
128.08015	0.7
138.03214	8.9
146.82074	0.7
147.04529	2.8
153.05568	100.0
154.05923	4.5
161.04564	1.2
161.06020	1.4
171.06613	13.6
189.05582	1.3
198.05583	0.6
336.38794	0.7
439.16074	42.5
440.16507	3.3
440.55090	0.7
465.43570	0.8
609.54242	0.6
749.27380	0.9
757.59351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29575	0.3
55.01860	0.5
57.03418	1.3
57.03675	0.4
58.00566	0.9
59.01374	18.4
61.98820	2.2
69.15988	0.3
70.80981	0.8
71.01375	15.6
72.99294	0.9
73.02927	1.0
77.03945	0.4
81.07085	2.4
83.01382	1.1
83.04994	0.7
84.02144	0.4
85.02942	12.0
85.03465	0.6
86.32793	0.4
87.00857	0.8
89.02439	7.8
91.05532	0.4
93.03433	0.6
94.04256	0.8
95.01380	5.7
95.05001	0.5
98.19937	0.3
98.69672	0.3
99.00906	0.4
101.02435	8.0
103.05508	2.0
103.55563	0.4
109.06572	6.1
113.02440	28.9
114.02756	0.8
115.05505	1.9
117.03423	1.1
119.03493	9.5
119.05000	0.6
121.02959	0.5
123.04513	14.9
125.02450	0.4
125.05994	0.4
127.06696	0.7
127.07640	12.5
128.07950	0.6
131.03493	0.4
131.05028	4.7
133.06583	4.3
138.03224	7.3
143.03503	2.2
143.05031	0.6
145.06615	0.5
147.04506	58.4
148.04868	2.8
152.83107	0.3
153.05559	100.0
154.05914	3.7
159.04517	0.3
161.04553	12.8
161.06070	20.1
162.05003	0.4
162.06390	1.0
163.07559	0.5
171.06613	9.5
172.06915	0.4
173.06044	1.0
175.07669	1.7
179.05598	1.0
183.19963	0.4
189.05550	16.3
190.05919	1.0
191.07060	0.8
201.05521	1.7
219.06586	3.5
220.07016	0.4
237.07637	0.6
249.07787	0.7
285.09845	0.9
309.09961	1.7
372.97281	0.3
439.16040	29.9
440.16397	3.7
481.17303	1.4
503.57831	0.4
526.86682	0.3
569.20099	0.6
641.63245	0.5
749.27264	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	749.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
63.30476	0.4
68.99792	0.4
69.75642	1.2
70.08004	0.3
71.01381	1.4
74.71159	0.3
79.05510	0.4
81.07095	4.0
83.05014	0.9
85.02936	0.4
90.40578	0.3
93.03465	0.7
94.04217	0.7
95.05025	0.6
101.02448	0.8
105.03486	0.6
107.86893	0.3
109.01821	0.4
109.06588	6.5
113.02444	0.6
121.02982	0.5
123.04524	19.5
124.04822	0.6
125.06022	0.3
127.07653	13.5
131.05034	0.4
133.06601	0.4
138.03224	8.3
144.97009	0.4
147.04524	4.1
153.05569	100.0
154.05919	4.6
157.52629	0.3
161.04626	0.8
161.06046	4.5
170.21674	0.3
171.06616	13.8
171.08078	0.8
172.06944	0.5
189.05547	1.5
228.85985	0.3
285.09805	0.9
347.55331	0.3
416.81638	0.3
439.16074	47.0
440.16400	5.4
618.76306	0.4
744.83295	0.4
749.27039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65193	0.4
59.01361	1.1
71.01379	1.5
73.12201	0.4
73.87548	0.4
81.07092	4.4
83.05015	1.2
85.02940	0.6
93.03471	0.9
94.04230	0.7
95.01382	0.7
95.04987	0.8
101.02418	0.6
109.06588	6.8
113.02434	1.5
119.03529	0.5
121.03002	0.6
123.04517	19.0
124.04797	0.9
125.06136	0.4
127.07649	13.4
137.55579	0.4
138.03223	8.5
147.04512	2.5
153.05566	100.0
154.05896	3.7
161.04567	0.9
161.05992	0.8
171.06621	12.0
172.06891	0.5
189.05598	0.7
214.77069	0.5
229.29689	0.4
401.56860	0.4
439.16049	43.4
440.16376	4.8
481.24789	0.5
755.09052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28065	0.3
55.01879	0.5
57.03496	0.5
59.01378	8.2
59.19234	0.3
61.98826	1.9
65.79242	0.3
71.01379	10.1
72.99339	0.9
73.02980	0.7
81.07146	1.0
83.01406	0.8
83.05058	0.7
85.02944	2.4
87.00916	0.4
89.02442	3.3
90.53831	0.3
93.63825	0.3
95.01410	0.9
95.05037	0.3
96.72117	0.4
98.19897	0.9
99.00906	0.3
101.02427	5.2
101.03017	0.4
103.05515	3.0
109.06579	3.4
111.35528	0.3
112.01678	0.6
113.02444	10.5
115.05540	5.6
115.06319	0.5
117.03493	0.8
119.03504	5.6
119.05048	1.1
123.04531	5.0
127.05600	0.5
127.07648	5.5
131.03540	0.7
131.05022	13.5
133.06602	7.8
138.03204	4.2
143.03502	1.0
143.04979	1.8
145.06544	2.2
147.04510	100.0
148.04846	4.7
153.05566	80.5
154.05919	3.2
157.06606	0.6
159.04477	0.5
161.04593	7.6
161.06053	63.2
162.06413	3.7
171.04366	0.7
171.06644	2.6
173.06032	0.9
175.07692	2.4
189.05559	22.0
190.05881	1.2
191.07101	1.0
201.05550	2.5
219.06609	5.0
227.66508	0.4
237.07610	0.6
243.06560	0.8
246.71002	0.3
249.07690	2.2
281.32077	0.3
285.09750	1.9
285.34207	0.3
291.08527	0.8
293.88538	0.3
309.09784	2.4
309.90967	0.4
439.15970	3.8
440.16269	0.5
441.95023	0.4
481.17188	2.5
482.16757	0.6
624.40802	0.4
717.84174	0.4
749.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
58.00581	1.7
59.01377	27.4
61.98830	4.2
69.93029	3.8
71.01379	23.7
72.14407	0.9
72.99305	1.9
73.02949	1.8
83.01363	1.1
85.02948	15.2
87.00863	1.4
89.02435	11.2
95.01389	7.0
97.02943	1.3
101.02441	16.5
103.05548	2.4
104.00153	0.7
109.06606	2.5
113.02451	44.0
114.02779	1.4
115.05521	2.4
117.03465	2.4
119.03509	16.8
119.04994	2.4
123.04521	5.9
125.02468	1.4
127.05538	0.9
127.07653	8.6
131.05014	7.8
133.06604	8.9
138.03197	2.9
143.03517	3.7
143.04922	0.9
144.44475	0.8
145.06548	1.7
147.04514	100.0
148.04855	5.2
153.05566	39.6
154.05942	1.2
157.03149	0.9
161.03256	1.5
161.04553	21.1
161.06070	30.8
162.04797	0.8
162.06395	1.1
171.06657	4.8
173.06079	1.6
175.07634	3.0
189.05566	32.4
189.32559	0.8
190.05923	2.1
191.07060	1.6
201.05547	3.9
219.06636	8.7
249.07614	1.0
309.09872	4.3
439.16116	7.6
440.16101	1.2
481.16953	1.9
749.25543	1.8
755.46484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03427	1.6
58.00590	0.6
59.01377	22.5
61.20973	0.5
61.98827	5.0
67.01883	0.8
67.45846	0.4
69.03423	0.7
70.48940	0.7
70.49297	1.3
71.01381	20.0
72.99302	1.5
73.02917	1.5
81.07090	2.0
83.01390	0.8
83.05010	1.0
84.02137	0.7
85.02462	1.0
85.02953	15.6
87.00855	1.3
89.02441	10.2
93.03465	0.9
95.01376	6.9
95.04991	0.8
101.02443	12.2
103.05515	1.5
109.06594	4.7
113.02448	34.3
114.02784	0.8
114.52781	0.4
115.03979	0.5
115.05545	3.2
117.03459	0.8
119.03497	11.0
119.04913	0.9
123.04517	17.7
125.02422	1.1
127.07658	12.7
131.03473	0.7
131.05025	6.3
133.06587	5.9
137.63904	0.5
138.03204	7.0
143.03497	3.0
143.05095	0.6
145.06613	1.9
147.04514	64.8
148.04855	2.1
153.05571	100.0
154.05934	3.3
161.04565	13.4
161.06082	31.5
162.05110	0.5
162.06406	1.2
165.12839	1.1
171.06635	9.9
173.06067	0.9
175.07651	0.8
179.05664	1.1
189.05563	24.3
190.05942	0.9
201.05504	0.7
219.06590	4.9
236.14796	0.5
237.07701	1.4
247.20686	0.9
248.86511	0.5
249.07706	1.8
285.09933	1.5
291.19669	6.7
309.09634	2.9
397.13345	3.5
415.14835	1.2
439.16061	25.6
440.16492	2.7
444.77231	0.5
481.17422	1.6
486.50259	0.5
501.30893	1.6
569.20911	1.3
749.27338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03437	2.4
58.00581	1.3
59.01376	34.2
60.01718	0.5
61.98829	5.2
70.12446	2.3
71.01377	27.1
71.06055	0.5
72.99291	2.1
73.02946	2.5
75.00848	0.6
81.07093	0.8
83.01394	1.7
83.05029	0.8
83.34438	0.5
84.02192	0.8
85.02944	17.5
87.00883	1.3
88.61436	0.5
89.02439	12.5
91.05530	0.9
95.01385	8.6
95.05010	0.5
97.02930	1.1
98.20517	0.8
99.00894	0.9
99.08170	0.6
101.02438	16.7
103.05504	1.7
109.06589	2.0
113.02444	43.8
114.02776	0.9
115.05529	4.3
117.03448	2.7
119.03494	15.9
119.05014	2.3
123.04513	9.4
125.02443	0.9
127.07649	10.6
129.05621	1.2
131.03511	1.0
131.05020	9.9
133.06587	11.8
138.03224	2.3
143.03471	3.9
143.05083	1.1
145.06580	2.3
147.03125	3.3
147.04510	100.0
148.04866	5.1
153.05565	42.4
154.05910	1.5
159.04453	0.7
161.04559	19.3
161.06075	46.5
162.05070	0.7
162.06413	2.2
163.07671	1.3
171.04466	0.7
171.06660	5.3
173.06068	1.6
175.07637	1.5
179.05656	0.8
189.05566	44.5
190.05923	1.7
191.07124	1.8
201.05591	1.3
211.13303	0.8
219.06616	6.5
237.07671	2.9
249.07651	1.9
285.09723	1.4
291.19684	1.4
296.56946	0.5
307.81412	0.5
309.09662	3.2
310.10110	0.5
439.16080	9.3
440.16379	1.1
481.17319	1.7
507.65390	0.6
544.70508	0.6
586.35541	3.4
587.36011	3.3
645.34033	1.0
663.36115	1.0
749.26746	1.9
749.38776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35353	0.5
59.01374	2.2
61.98824	10.3
65.85615	0.6
71.01386	9.1
71.50906	1.1
73.02896	0.9
75.98856	0.7
101.02428	0.9
110.30161	0.6
113.02460	0.9
115.05322	0.7
123.04542	1.3
127.07616	3.2
134.08858	0.7
135.04593	0.8
147.04533	1.7
148.05281	0.8
153.05588	4.3
164.08461	1.1
165.05504	0.6
177.09175	2.5
192.11552	6.4
205.12360	3.3
207.13815	1.9
218.09460	1.8
220.14653	40.9
221.15433	100.0
222.15759	6.8
235.13342	1.1
236.10507	82.4
237.10869	6.8
293.17566	59.5
294.17850	6.8
439.15833	1.5
587.20740	2.2
749.21820	1.9
749.40112	1.2
750.25330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.98820	0.5
66.88373	0.1
71.01369	1.2
71.50767	0.2
72.99304	4.9
73.02942	0.1
73.99654	0.5
75.00869	100.0
76.01208	1.0
78.40685	0.1
85.02937	0.3
87.00861	0.2
89.02448	1.0
99.00861	0.2
101.02438	0.8
102.35360	0.1
113.02448	0.5
119.03513	0.4
125.02441	0.4
127.07676	0.2
143.03499	0.2
161.04628	0.2
179.05643	0.3
204.74709	0.1
235.08273	0.6
241.39833	0.1
250.88503	0.1
277.18878	0.3
277.21710	3.5
278.22092	0.3
287.07794	0.3
305.08771	0.2
361.00449	0.2
397.13483	5.4
398.13959	0.4
415.14575	2.3
416.14832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97481	1.8
55.01871	6.3
56.78436	2.2
57.03443	5.2
58.00586	2.5
59.01376	93.2
61.98820	8.8
63.53198	1.9
69.03448	1.7
69.30225	6.0
69.30654	8.3
71.01379	69.8
72.99316	3.0
73.02946	17.7
74.54112	1.6
79.29044	1.6
80.59185	1.6
83.01392	10.2
85.02951	34.8
86.00124	2.4
87.00870	5.1
89.02446	25.2
95.01392	8.5
95.01931	1.8
97.02949	4.8
97.06593	2.2
99.00866	8.1
101.02435	41.6
109.06528	2.1
111.00896	4.1
112.01675	2.9
113.02442	32.7
114.02750	2.4
119.03486	8.5
123.04488	5.6
125.02427	7.4
127.04977	1.9
127.07609	3.3
134.83162	1.7
135.14351	1.8
138.03256	2.2
143.03484	5.3
147.04485	10.8
148.04919	2.3
153.04454	2.8
153.05576	27.8
154.05887	10.7
155.06039	1.9
159.02946	2.6
161.04552	8.2
161.05916	2.6
171.06622	4.2
173.52596	1.7
179.05577	2.4
213.18553	3.6
263.61224	1.7
293.24866	3.2
305.24985	2.9
315.66574	1.9
341.26843	5.4
386.73038	1.9
410.39847	1.9
439.16040	4.5
440.16373	5.5
441.16589	5.8
449.29178	2.3
467.30093	9.0
485.31418	8.0
503.32147	16.0
548.55994	1.9
647.36444	100.0
648.36810	23.1
665.37494	94.7
666.37817	22.6
707.38434	23.4
708.39001	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	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
58.36788	1.4
59.01379	34.5
61.98828	87.0
71.01381	29.2
71.50515	2.3
73.02928	4.3
75.00870	11.7
83.01418	1.5
85.02943	8.2
86.94773	1.6
87.00874	4.8
89.02441	25.5
95.01340	1.9
96.95995	2.8
97.02956	4.4
99.00831	1.6
99.08187	1.4
101.02436	21.7
102.84904	1.9
103.53928	1.8
113.02459	8.2
113.09732	8.6
119.03460	7.6
123.04556	2.1
125.02443	6.0
127.07615	4.0
143.03482	4.8
147.04501	6.6
153.05487	2.5
161.04619	7.4
171.10202	3.8
179.05615	4.7
183.13861	5.0
185.11829	2.0
195.13785	1.7
211.13382	6.3
235.08237	9.0
275.20068	5.5
287.07568	2.0
293.21204	100.0
294.21585	9.4
305.08704	1.7
311.09216	1.8
323.09769	1.8
397.13507	81.0
398.13849	7.8
415.14517	34.7
416.14941	3.8
457.17126	2.3
637.27051	1.6
691.35291	4.5
751.24817	4.7
751.39716	2.2
752.25427	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	751.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.24100	1.7
56.18306	1.7
58.00592	2.2
59.01381	45.2
61.98830	54.4
62.45394	1.7
66.51682	1.7
71.01385	33.6
71.05016	2.3
71.30996	1.7
71.50555	3.8
73.02937	7.1
74.03354	1.7
75.00860	3.1
83.01390	4.4
84.60802	1.6
85.02956	7.6
85.30685	1.7
87.00871	6.2
89.02439	26.4
95.01354	2.0
96.95992	2.0
97.02952	5.3
99.00906	1.8
101.02446	24.1
111.00832	1.9
113.02426	11.9
119.03509	10.1
125.02445	9.7
127.07677	2.5
131.03529	1.8
143.03487	3.8
147.04535	8.9
161.04530	4.0
171.77364	2.0
179.05629	5.7
235.08215	9.8
235.17120	15.1
253.09097	3.5
263.07724	2.1
275.20111	19.9
287.07797	3.4
293.21222	80.6
294.21490	6.0
305.08655	3.0
397.13495	100.0
398.13754	7.0
415.14560	43.6
416.14984	3.5
522.95782	2.3
526.15161	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38907	1.4
59.01378	24.4
61.98827	52.9
65.55219	1.5
71.01387	16.2
71.77494	1.5
73.02951	2.7
78.53700	1.7
83.01376	2.7
85.02944	4.4
87.00867	3.6
89.02439	12.7
92.18578	1.8
93.03432	1.7
97.02941	2.7
98.19862	3.8
101.02449	14.0
102.31737	1.8
113.02444	6.3
116.92814	1.7
119.03495	3.1
123.04491	4.9
125.02356	2.7
127.07619	3.9
138.69388	1.6
143.03528	1.6
147.04512	5.1
153.05605	4.1
161.04581	2.1
167.25928	1.4
167.67480	1.5
171.06613	2.0
179.05592	3.0
186.31224	2.2
195.13882	5.6
223.13313	4.8
235.08145	2.1
250.60297	1.5
293.21228	100.0
294.21469	9.0
397.13568	23.0
398.13708	2.0
415.14536	30.0
503.32242	3.0
512.11719	1.6
513.81183	1.8
590.55707	2.0
691.35095	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	752.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98826	100.0
62.98530	0.1
70.78826	0.2
71.01384	0.8
73.02956	0.3
85.02925	0.3
89.02464	0.4
99.04475	0.1
101.02451	0.4
113.02441	0.3
123.04510	0.3
127.07642	0.2
147.04486	0.3
153.05571	0.6
154.05827	0.2
163.50443	0.1
183.13275	0.1
291.19757	0.3
292.20053	0.4
293.20300	0.3
343.28442	0.4
376.33145	0.1
399.13992	0.2
400.14774	0.2
417.61765	0.1
457.17477	0.1
474.37149	0.1
481.47375	0.1
505.34171	0.6
545.33789	0.2
546.33527	0.3
547.34930	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61599	0.6
57.03435	2.4
59.01373	7.4
60.99298	1.0
61.98825	11.7
69.80650	3.7
71.01377	5.0
73.02937	1.1
83.01385	1.6
85.02943	2.4
88.98814	5.4
89.02448	2.5
93.03458	1.4
94.98080	2.2
95.33615	0.8
96.95986	1.4
99.08154	4.9
101.02418	3.2
106.04223	1.1
107.05042	3.4
111.00876	0.9
113.02421	2.1
115.00330	0.7
116.92836	0.8
119.03522	0.9
119.05023	4.7
121.02943	1.1
123.04505	10.7
127.07644	11.4
128.07999	0.9
129.05583	12.3
132.02148	0.8
133.02937	5.1
134.03748	1.6
147.04523	1.0
151.03989	14.3
153.05566	5.3
157.05002	0.7
161.04524	1.7
163.03987	6.8
165.05492	1.3
169.37314	0.7
171.06631	2.3
175.03952	0.8
193.05043	2.1
195.08179	0.9
213.05528	1.6
226.02766	1.1
235.06084	1.0
241.05028	20.9
241.07468	1.2
242.05588	2.7
255.06613	8.8
256.07376	64.4
257.08038	14.5
258.08533	0.8
295.08194	16.7
299.08951	1.4
301.36627	0.7
311.09320	1.0
315.07379	1.2
335.17154	1.2
413.08957	0.8
419.13428	100.0
420.13782	11.4
425.14920	1.1
439.15891	1.0
462.66888	0.8
581.18512	2.7
753.25507	5.2
754.26904	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	753.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
57.03443	4.6
58.00578	2.6
58.16190	1.7
59.01377	85.8
61.98821	11.8
69.03435	1.5
69.73228	4.1
69.73637	6.0
71.01379	57.6
72.99307	3.3
73.02954	13.6
83.01391	6.8
85.02951	29.5
86.72365	1.7
87.00873	6.3
89.02014	2.0
89.02444	21.8
95.01375	7.6
96.35567	1.9
97.02952	3.2
99.00878	5.3
101.02435	37.6
109.94653	1.7
110.05617	1.6
111.00875	4.3
113.02439	23.0
119.03512	10.4
121.10249	1.8
123.04490	1.8
125.02417	5.8
127.07643	2.7
128.23544	1.8
129.05553	3.4
143.03485	5.6
153.05573	4.8
159.03035	3.3
161.04495	5.7
179.05621	3.3
185.15453	3.3
189.07643	3.9
201.59273	2.1
259.74161	2.3
278.89487	1.7
325.27274	2.4
343.28156	2.9
441.21704	2.1
487.32785	12.8
505.33801	15.0
613.35083	2.1
649.37970	100.0
650.38269	16.4
667.39014	78.4
668.39575	16.2
709.40277	27.5
710.40076	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	753.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.8
57.03436	2.6
59.01378	48.2
61.98829	16.3
69.03452	1.9
71.01379	36.7
72.99310	1.4
73.02939	11.7
75.00865	1.7
78.20948	1.2
82.27959	1.1
83.01390	6.7
84.95128	1.3
85.02950	18.3
86.00108	1.7
87.00890	8.3
87.24918	1.1
88.98786	1.9
89.02436	8.0
93.17291	1.3
93.88520	1.3
95.01378	4.5
97.02943	3.4
99.00884	4.0
100.91782	1.1
101.02436	26.8
111.00894	4.6
112.01661	1.4
113.02441	17.6
119.03496	3.3
119.05014	1.3
121.10258	3.1
123.04537	2.1
124.01691	2.2
125.02419	5.7
127.07655	2.3
128.13278	1.0
129.05611	1.3
138.61325	1.0
143.03525	4.1
153.05557	5.4
159.02942	1.5
161.04579	3.7
163.03979	2.9
185.15472	2.8
203.05586	1.2
343.28427	2.1
439.06354	1.3
439.15982	3.9
485.23883	4.1
487.32776	6.4
505.33942	10.1
506.34036	2.2
629.97028	1.2
649.37982	100.0
650.38275	18.1
665.37305	2.3
667.39050	36.7
668.39008	5.5
709.40112	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	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36864	0.2
59.01374	1.7
61.98841	1.4
69.98125	0.2
71.01379	1.0
71.07728	0.5
71.08080	0.3
72.99305	4.6
75.00869	100.0
76.01208	0.7
77.15709	0.2
77.96939	0.2
78.29815	0.2
78.95894	0.2
85.02950	0.3
87.00835	0.3
89.02449	1.0
89.63100	0.2
94.61330	0.2
101.02432	1.1
119.03481	0.4
125.02463	0.5
143.03596	0.3
156.42894	0.2
179.05565	0.4
202.22853	0.2
235.08237	0.5
250.83400	0.3
279.23291	3.2
280.23734	0.3
305.08966	0.4
397.13510	5.9
398.13803	0.8
415.14554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78359	0.8
56.31587	0.9
58.01958	0.8
59.01374	12.7
61.98827	6.5
65.65352	0.7
69.70440	1.5
69.70847	3.1
71.01363	2.9
75.22998	0.7
78.95894	2.4
83.91911	0.8
98.20635	1.7
101.02400	1.9
106.88342	0.7
113.02441	1.2
116.07539	0.7
121.73665	0.7
130.82011	0.8
153.12743	1.0
161.04518	1.7
169.12334	2.3
174.12537	0.9
197.11810	100.0
198.12099	6.3
235.08162	1.2
246.88197	0.9
253.09270	6.7
271.64499	0.8
277.21692	49.9
278.22153	4.3
393.98157	0.9
415.19409	1.1
433.20920	5.0
434.21033	0.9
506.45639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98828	100.0
62.98525	0.1
71.01378	0.4
71.41870	0.1
73.02943	0.1
85.02948	0.1
88.98830	0.2
89.02466	0.2
92.84867	0.1
101.02450	0.3
103.98981	0.1
113.02400	0.1
115.16515	0.1
119.03542	0.1
121.02964	0.1
123.04519	0.1
127.07588	0.1
147.04544	0.3
153.05573	0.2
161.04591	0.1
172.56802	0.1
175.92256	0.1
227.06738	0.1
241.56227	0.1
287.32053	0.1
506.34207	0.1
753.40863	0.1
754.41357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12049	0.1
59.01370	0.5
61.98825	100.0
62.98514	0.2
71.01397	0.3
75.15582	0.1
85.02962	0.1
85.83765	0.1
89.02456	0.1
101.02456	0.2
113.02460	0.2
147.04559	0.2
158.91261	0.1
185.97887	0.1
267.97177	0.1
294.76938	0.1
296.14182	0.1
299.84061	0.1
418.11316	0.1
735.57489	0.1
754.41034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
61.98825	100.0
64.36935	0.1
69.27195	0.5
69.27621	0.5
71.01390	0.1
78.95910	0.2
96.37498	0.1
97.62081	0.1
99.90694	0.1
118.50378	0.1
128.39902	0.1
129.38657	0.1
148.61989	0.1
151.61716	0.1
218.29379	0.1
294.25211	0.2
294.46582	0.2
296.73358	0.1
399.13910	0.2
412.80194	0.1
491.01987	0.1
755.42212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62213	0.6
57.73817	0.7
59.01381	1.4
61.98808	2.3
63.02382	0.7
65.00301	0.7
78.95871	0.7
83.01360	0.8
93.03496	1.5
102.63557	0.8
107.01385	2.0
109.72087	0.7
113.09655	0.7
117.03446	2.2
119.05003	2.3
132.02126	0.8
135.00920	1.1
145.02959	9.9
151.00391	4.7
163.00394	1.3
163.03995	2.6
169.06593	0.9
183.04506	1.1
185.06053	1.3
187.03932	1.8
197.06061	1.0
199.04100	1.4
211.04022	2.7
213.05447	1.8
227.03477	42.4
228.03900	3.5
229.04994	5.4
239.03305	1.1
240.04048	1.0
241.05136	1.9
255.02980	66.8
256.03632	10.4
257.04492	5.8
283.02377	4.5
284.03253	70.8
285.04007	70.3
286.04437	3.9
297.29263	0.8
307.08270	2.4
318.04086	0.8
327.05069	1.8
447.09143	1.3
506.71237	0.9
511.08484	0.8
554.80023	0.8
583.67914	0.9
593.12970	100.0
594.13324	18.0
635.14081	1.4
754.34882	1.0
755.18085	16.9
756.18610	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	755.1834
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
59.01369	2.0
61.98832	20.9
63.02401	0.7
65.00323	0.5
67.28626	0.5
71.01367	1.8
71.50886	0.6
83.01376	0.8
85.02952	0.7
86.10820	0.4
93.03442	1.5
95.35828	0.6
101.02422	0.8
107.01393	1.4
108.02176	4.5
109.02958	8.1
113.02458	0.5
115.00358	0.6
117.03452	1.0
119.05029	1.0
121.02932	0.5
121.25932	0.5
123.04516	1.4
127.07641	1.0
129.05545	1.6
135.00876	0.9
143.04977	1.1
145.02966	3.4
151.00337	2.5
152.01172	4.8
153.01930	6.9
153.05566	1.1
157.06569	0.7
159.04546	1.0
163.00383	1.4
163.03949	1.3
165.01971	1.1
169.06598	0.8
171.04491	0.6
183.04501	1.0
185.06076	1.9
187.03961	2.4
189.05542	0.7
197.06044	0.9
199.03970	1.0
211.03999	2.1
212.04752	0.6
213.05476	1.2
227.03502	17.4
228.03743	1.1
229.05075	9.0
230.05438	0.6
239.03400	0.8
240.04167	0.6
241.05025	1.4
245.65704	0.6
255.03009	24.6
256.03607	3.5
257.04611	4.9
267.03122	1.0
283.02551	1.5
284.03278	20.6
285.04037	100.0
286.04413	8.0
307.08356	3.2
315.07217	2.7
335.55933	0.6
343.87927	0.5
357.08044	0.6
447.08994	1.8
487.15283	0.5
593.13013	24.4
594.13245	4.4
755.21045	7.3
756.19653	1.6
783.98596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2037
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01387	1.4
59.03731	0.5
63.02427	0.7
71.42189	0.8
72.76170	0.5
74.40965	0.5
80.07434	0.5
86.96713	0.5
93.03478	0.8
107.01389	1.6
117.03485	1.1
136.97763	0.5
141.38689	0.5
145.01367	0.6
151.00316	2.8
159.04532	0.6
163.00409	0.7
167.05042	0.5
169.06572	0.7
183.04474	1.9
185.06039	1.0
187.04082	1.2
199.04147	0.7
211.04013	2.2
213.05511	1.5
227.03470	12.8
228.03940	1.2
229.05035	3.2
239.03447	1.4
240.04202	0.7
241.05017	0.9
243.02936	1.0
255.02968	41.8
256.03561	5.1
257.04578	3.3
269.04446	0.8
281.04694	0.7
283.02463	50.4
283.99918	1.0
284.03226	36.6
285.04019	87.2
286.04462	6.9
297.03979	1.1
298.04745	0.5
299.05475	0.6
306.29474	0.5
327.04999	1.6
398.71347	0.6
446.08557	3.3
447.09116	2.7
593.15070	100.0
594.15332	18.4
635.16211	0.7
755.20355	6.4
756.20508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62089	0.3
59.01098	0.4
59.01377	2.4
61.98824	0.7
69.54681	1.0
69.55107	0.8
71.01379	2.3
78.95897	0.8
83.01403	0.3
85.02945	0.9
87.00876	0.3
89.02435	1.0
93.03452	0.7
95.01366	0.4
99.00859	0.3
101.02444	1.9
113.02444	1.4
117.03474	1.5
119.05018	81.9
120.05342	3.8
121.03002	0.5
123.04492	0.4
125.02402	0.4
143.03496	0.4
145.02921	1.0
152.99559	0.9
161.04535	0.6
163.03993	100.0
164.04346	5.3
227.03499	0.3
255.02895	0.3
269.08191	1.6
284.03275	0.5
285.03934	0.6
323.09747	2.4
325.09296	4.7
406.17142	0.3
413.12390	0.3
431.13376	3.6
432.13718	0.5
487.14532	25.9
488.14844	3.1
533.23737	0.8
593.18781	17.7
594.19055	3.3
755.34637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98840	2.3
69.16575	3.9
71.01369	3.0
82.48656	0.4
85.02946	1.5
89.02441	1.5
93.03468	0.7
96.96008	1.1
98.20619	0.8
99.00884	0.5
101.02422	2.2
108.02174	0.4
113.02484	1.0
117.03456	1.9
119.05023	56.6
120.05352	2.6
121.02926	0.6
123.04471	0.7
129.09183	0.6
135.03023	0.9
143.03560	0.4
143.04716	0.5
161.04541	0.8
161.70093	0.4
163.04001	100.0
164.04350	3.8
164.69386	0.4
167.03519	0.8
221.06711	0.5
250.22697	0.5
269.08209	1.7
298.29950	0.4
306.07654	0.9
307.08044	0.5
323.09814	4.0
325.09283	1.3
356.93140	0.5
431.13431	12.3
432.13718	1.4
482.51727	0.5
487.14685	1.9
593.18726	24.7
594.19098	3.7
598.05249	0.5
666.47485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98840	2.3
69.16575	3.9
71.01369	3.0
82.48656	0.4
85.02946	1.5
89.02441	1.5
93.03468	0.7
96.96008	1.1
98.20619	0.8
99.00884	0.5
101.02422	2.2
108.02174	0.4
113.02484	1.0
117.03456	1.9
119.05023	56.6
120.05352	2.6
121.02926	0.6
123.04471	0.7
129.09183	0.6
135.03023	0.9
143.03560	0.4
143.04716	0.5
161.04541	0.8
161.70093	0.4
163.04001	100.0
164.04350	3.8
164.69386	0.4
167.03519	0.8
221.06711	0.5
250.22697	0.5
269.08209	1.7
298.29950	0.4
306.07654	0.9
307.08044	0.5
323.09814	4.0
325.09283	1.3
356.93140	0.5
431.13431	12.3
432.13718	1.4
482.51727	0.5
487.14685	1.9
593.18726	24.7
594.19098	3.7
598.05249	0.5
666.47485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.9
58.98902	0.8
59.01375	33.8
61.98828	4.8
63.22762	0.7
69.17587	5.8
69.17990	1.3
71.01373	2.6
73.02908	0.9
80.04002	0.7
85.02955	2.1
88.98792	1.3
89.02457	0.8
95.01319	0.8
95.05008	1.3
99.08155	28.0
101.02444	0.8
109.06556	0.7
113.02463	1.5
123.04523	68.5
124.04838	2.1
127.07648	43.7
128.07979	1.9
129.05576	64.7
130.05914	3.0
135.04565	0.9
145.08701	1.0
153.05568	88.8
154.05890	4.1
161.04541	1.9
171.06627	12.7
189.07675	47.6
190.07988	1.3
195.06633	8.3
267.64880	1.0
285.09906	1.8
307.12006	1.0
315.10892	7.7
316.11118	0.8
325.12894	82.3
326.13135	5.9
357.11682	1.3
457.17087	6.2
458.17432	1.0
469.16907	1.0
487.18195	100.0
487.24377	3.4
488.18573	10.7
593.22369	34.2
594.22821	6.3
755.27600	11.7
756.28107	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	755.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.8
59.01381	2.8
61.98821	0.8
66.74115	0.6
70.30537	0.5
71.01380	4.5
71.50845	0.8
73.02949	1.2
83.05035	0.9
85.02953	1.8
94.22108	0.6
95.05025	1.9
96.31907	0.6
99.08161	58.0
100.08511	1.6
101.02459	1.9
105.03477	1.0
109.06608	1.7
111.57069	0.6
113.02457	1.6
121.02965	0.9
123.04530	90.7
124.04882	2.9
127.07658	83.3
128.07983	2.9
129.05586	47.2
130.05888	1.3
138.03236	4.1
153.05583	100.0
154.05948	3.3
159.03033	0.8
161.04541	5.9
161.62944	0.6
171.06638	17.6
172.06898	0.7
189.07648	4.3
239.51019	0.6
285.09787	19.8
286.10300	1.0
315.10944	5.4
439.16003	0.6
449.20004	0.7
457.17148	90.3
458.17557	8.6
487.18188	26.1
487.25320	1.1
488.18756	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	755.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95510	0.6
57.03429	0.9
58.00571	0.9
58.62597	0.5
59.01382	30.1
60.01707	0.8
61.98832	14.4
67.07786	0.6
69.03448	0.9
69.41277	4.6
71.01382	17.0
72.99304	1.1
73.02950	11.1
80.96510	1.1
83.01373	4.5
85.02959	5.4
87.00872	2.8
88.98810	3.5
89.02447	5.6
94.98071	0.6
95.01416	1.3
97.02966	0.5
99.00909	1.4
101.02444	12.7
113.02440	6.0
115.00316	0.6
119.03495	1.9
121.02959	1.5
123.04606	1.2
125.02422	0.9
127.07664	0.8
143.03471	0.9
153.05580	0.9
161.04550	1.4
163.04063	0.7
171.02174	0.6
181.12326	1.4
186.93494	0.5
186.97118	0.5
221.15474	7.0
226.06248	0.8
239.16464	3.1
240.50925	0.7
241.08751	1.0
383.20602	6.4
384.21213	0.7
401.21765	31.8
402.22000	3.4
443.22858	100.0
444.23178	12.1
501.57864	0.6
611.33502	0.8
637.14606	0.6
651.39233	1.2
711.40271	0.8
755.30621	1.2
755.43524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01377	10.4
60.99316	4.1
61.98830	3.7
62.20420	0.4
71.01374	3.4
71.50701	0.6
73.02949	1.1
83.01389	1.0
85.02954	1.8
87.00903	0.8
88.98808	22.5
89.02460	0.9
92.77531	0.4
99.08160	16.4
101.02451	2.1
111.00894	0.4
113.02470	1.3
119.03477	0.5
119.04961	0.4
123.04490	2.1
125.02409	0.5
127.07655	16.4
128.08022	0.7
129.05585	55.4
130.05916	1.8
138.03169	0.5
145.08713	1.8
147.04501	0.7
153.05589	1.8
154.05951	0.8
154.60187	0.4
161.04552	1.0
171.06604	3.2
189.07683	100.0
190.08025	4.5
226.06326	0.5
241.08644	1.5
345.34964	0.5
415.23422	0.7
487.25372	1.2
507.34583	0.5
598.58838	0.4
650.38586	0.8
651.39105	3.9
668.38733	0.5
669.40045	2.4
711.40692	1.3
729.15320	0.5
755.28998	0.7
756.28400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64951	14.5
59.01381	27.3
61.98820	100.0
70.98682	38.2
81.63081	15.0
96.87650	16.3
98.19907	17.2
115.86616	18.0
125.54401	17.1
144.45378	17.5
197.43871	17.3
223.13399	37.6
264.82971	15.8
271.26181	18.3
277.21719	51.6
295.71719	19.6
755.41357	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.1
61.98833	14.0
71.01392	2.6
71.50531	1.4
71.50973	1.6
78.95902	2.4
87.00866	5.7
88.00401	2.3
89.02424	2.3
101.02434	1.4
116.92812	1.4
126.17198	1.3
161.04501	1.7
181.12334	2.7
182.54698	1.3
199.13388	100.0
200.13704	4.5
209.11873	2.3
224.46233	1.3
235.08194	2.6
253.09274	9.9
255.23260	1.4
277.21695	74.9
278.22049	8.4
389.10266	1.5
435.22260	4.6
459.34686	4.5
755.40662	1.8
777.53961	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	756.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57657	0.2
56.02052	0.2
59.01364	0.3
60.99310	0.5
61.98828	100.0
78.95910	0.6
82.53143	0.3
86.97243	0.2
88.00408	0.5
88.98819	2.2
89.02436	0.6
91.09208	0.2
98.20690	0.5
101.43018	0.2
115.24715	0.2
120.68501	0.2
145.22090	0.2
152.99553	0.3
195.79802	0.3
223.13005	0.2
250.80579	0.3
326.62738	0.3
399.13876	0.4
692.17853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03438	0.2
59.01374	32.8
60.01709	0.4
61.98829	0.6
69.03439	0.3
71.01376	6.3
73.02945	1.2
81.03458	0.4
83.01380	1.1
84.02166	0.1
84.99309	0.3
85.02936	1.8
88.98811	0.3
89.02456	0.2
93.03423	0.2
95.01398	0.6
95.05022	0.2
97.02946	0.4
98.19871	0.3
99.00887	0.6
101.02430	2.5
104.03369	0.1
104.06387	0.1
111.00903	0.1
111.04529	0.2
113.02435	2.5
119.03517	0.3
119.86700	0.1
123.03091	0.1
123.04523	1.2
125.01656	0.2
125.02399	0.8
127.00363	0.7
139.00352	0.1
143.03500	0.7
159.03012	0.3
161.04547	2.8
169.06618	0.4
182.07327	0.7
185.04536	0.7
191.03444	0.2
196.05220	0.2
197.05995	0.6
198.06824	3.8
199.07184	0.2
203.05589	12.3
204.05937	0.5
209.06049	0.6
210.06934	0.2
221.06641	7.0
222.07011	0.3
224.04884	0.2
225.05519	1.4
226.06332	50.8
227.06677	3.8
229.03529	0.2
239.07147	0.4
240.07559	0.2
241.08678	100.0
242.09009	7.3
247.04544	2.5
371.09738	1.8
372.10068	0.2
385.13034	0.2
393.91727	0.1
395.09595	0.7
406.12466	0.2
437.10818	0.4
439.75259	0.1
445.15024	0.9
446.15521	0.2
489.27017	0.3
515.13977	0.2
535.34235	0.1
602.12207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98824	5.2
70.51361	11.6
71.01382	57.2
73.02959	8.2
85.02943	8.1
87.00852	4.2
89.02447	62.7
90.87801	3.6
99.08154	5.8
100.64349	3.4
101.02448	35.9
110.05248	3.6
113.02435	21.7
115.00378	4.5
116.92850	12.1
119.03524	30.4
119.05018	24.1
123.29083	3.9
127.07658	26.8
129.05573	12.1
133.01491	3.7
133.02885	4.4
137.02467	3.6
141.68414	3.5
143.03477	7.0
150.04779	3.3
153.05571	10.3
161.04546	13.8
163.03984	16.1
171.06648	6.8
179.05618	75.5
193.05016	7.9
203.03484	4.1
255.02730	4.0
265.12943	10.1
271.02365	10.7
299.02066	25.4
300.02698	4.9
301.03479	12.8
307.14011	11.8
351.12915	75.5
351.16608	6.7
352.13177	5.0
354.02722	4.0
489.13919	7.4
545.99744	4.0
595.13348	12.5
597.12421	4.4
757.18030	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	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56668	1.4
59.01386	8.7
61.98835	12.3
66.45213	1.4
68.99577	1.8
70.08918	1.4
71.01383	100.0
71.50549	2.4
71.88891	1.4
72.01727	1.8
73.02953	2.4
75.30716	1.4
77.58699	1.2
78.23212	1.6
78.95899	7.3
83.05071	1.5
85.02956	1.5
87.00900	2.1
88.16759	1.3
88.98824	3.1
89.02460	2.8
96.15195	1.3
96.89918	1.2
99.00877	1.7
101.02466	3.8
109.06606	4.2
112.98575	1.7
113.02483	1.8
113.37263	1.7
125.09747	2.2
127.11308	2.0
152.99585	5.4
153.09180	1.4
161.04556	2.1
163.11229	3.4
171.10274	83.8
172.10583	3.1
199.09758	8.6
199.13466	2.0
201.11366	13.5
207.10298	10.4
215.12727	2.1
225.11296	7.0
235.08177	2.6
241.02580	1.3
253.09303	8.3
277.21716	84.4
278.22104	10.0
443.18860	1.9
456.24902	1.6
461.20251	3.1
548.98645	1.5
718.82275	1.6
721.41669	2.2
739.42639	2.5
757.43396	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	759.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49543	0.5
59.01375	53.3
61.98806	1.1
71.48975	0.6
71.49309	0.5
75.52246	0.5
90.97124	1.1
115.02512	2.1
117.00445	2.1
123.32594	0.6
132.98184	2.7
157.03560	0.9
159.01482	22.6
160.01660	1.1
174.99223	18.7
192.95856	2.1
201.02504	9.9
202.02667	0.6
217.00269	100.0
218.00569	3.0
222.82942	0.5
232.98207	0.8
274.99338	2.6
290.97110	1.3
301.02615	11.0
302.02728	1.4
317.00388	17.8
318.00592	1.0
332.98233	4.0
334.97092	0.7
359.01450	6.2
360.01703	0.6
374.99185	13.9
375.99719	0.9
459.01624	3.8
460.01471	0.9
474.99304	6.3
475.99695	0.7
514.97552	1.1
517.00085	0.9
541.00714	3.0
542.17328	0.6
556.98340	14.7
557.98926	3.3
617.00281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
58.00589	1.4
58.64494	1.1
59.01380	30.6
61.98832	33.6
65.05376	0.8
66.69160	0.9
69.43118	5.5
69.43540	1.9
71.01385	26.3
72.99306	1.6
73.02955	4.7
75.40524	0.8
76.21732	0.8
81.88232	0.9
82.09496	0.8
83.01379	2.9
85.02947	8.1
87.00879	1.7
89.02444	10.0
91.25537	0.9
95.01378	2.1
95.11614	0.8
99.00894	1.3
101.02454	14.3
111.00885	2.0
112.04057	1.8
113.02437	7.1
115.00381	1.0
119.03586	1.8
119.05031	29.4
123.04520	2.6
124.04051	2.7
125.02419	1.1
127.07653	2.1
133.02971	1.6
139.04048	1.3
151.03934	0.9
153.05563	7.0
161.04532	1.8
163.04015	45.8
163.75163	0.9
166.03745	1.4
166.05090	21.8
171.06584	1.1
175.42487	1.0
177.01889	1.4
184.06184	6.4
205.03064	1.0
208.06204	1.1
216.34621	1.0
269.08130	1.9
273.20700	1.4
307.08188	1.1
325.09320	8.1
328.10333	3.7
431.13364	10.8
435.25909	2.8
455.15771	1.6
492.15256	4.1
579.21112	2.2
579.29602	1.4
597.31158	11.1
598.19116	1.5
598.31964	1.6
703.61414	1.0
759.36584	100.0
760.36969	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40745	5.8
61.98831	59.2
65.75332	5.5
67.09116	5.1
70.88772	7.1
71.01365	10.3
71.50716	8.0
78.95911	15.5
84.75251	6.6
127.42741	6.1
151.04935	6.8
209.11815	100.0
227.12836	23.4
253.09241	11.4
277.21680	56.2
363.87421	6.4
424.87381	6.7
759.40436	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	40.8
69.20815	74.0
71.01408	7.5
78.95900	19.8
86.27832	6.7
86.39534	7.7
107.56181	8.3
152.99541	11.1
209.11810	68.1
227.12910	12.7
235.08182	12.6
253.09357	8.8
255.23291	8.2
277.21661	100.0
278.22055	19.1
351.45996	8.3
447.21719	8.5
587.13336	9.7
759.41681	26.3
760.42548	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	760.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.3
61.98823	27.7
65.21628	1.3
70.85523	3.2
70.85853	1.9
71.01380	17.3
71.58813	1.7
72.99283	2.0
73.02940	3.8
80.91653	1.6
82.95413	56.9
83.01381	2.0
83.20226	1.5
84.00903	100.0
84.95113	23.0
85.02943	4.5
87.00882	4.4
89.02441	17.0
97.02901	3.6
101.02441	14.6
113.02425	6.1
119.03519	7.4
123.52049	1.5
125.02431	7.6
135.31169	1.5
143.03481	2.8
157.52094	1.5
161.04515	3.2
179.05586	4.8
235.08282	7.5
245.06735	1.6
275.77060	1.6
277.21692	44.8
278.22058	4.5
287.07672	1.6
305.08823	2.7
322.74136	1.7
343.05661	1.6
397.08310	3.6
397.13428	61.1
398.13690	6.6
415.14563	21.8
416.14969	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	761.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
58.33132	0.4
59.01378	1.1
60.30484	0.4
71.01370	0.8
71.31799	0.4
99.07626	0.4
99.08147	12.2
101.02440	0.6
113.02393	0.5
123.04515	29.8
124.04822	1.0
127.07639	19.9
128.07947	0.9
129.05565	15.6
153.04332	1.1
153.05566	19.5
154.05876	0.9
161.04549	1.9
171.06631	3.9
189.07680	1.7
283.64990	0.4
285.09802	4.6
307.32269	0.5
331.48593	0.5
457.17105	100.0
458.17447	13.1
497.22824	0.5
574.91211	0.5
579.20306	0.5
761.23480	2.7
762.25323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51994	0.6
57.03431	1.7
67.96398	0.5
71.01379	1.3
71.26963	1.2
95.05017	0.6
99.08157	10.7
101.02429	0.7
109.06584	0.7
109.40107	0.6
111.88652	0.6
113.02415	0.6
123.04519	27.4
124.04819	0.8
127.07643	19.3
128.07964	1.0
129.05568	15.3
153.05566	18.5
154.06020	0.8
161.04539	1.5
164.89896	0.6
171.06610	3.4
186.32135	0.6
189.07634	1.2
285.09863	5.0
399.48169	0.7
448.13745	0.6
457.17120	100.0
458.17480	13.9
761.23944	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	761.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40214	0.8
57.03453	1.0
59.01381	15.6
59.39433	1.0
61.98830	35.2
68.93871	0.8
69.20976	8.3
70.41223	0.9
71.01379	7.9
72.99318	2.2
73.02939	2.2
76.91879	0.9
83.01414	0.9
85.02952	2.4
87.00861	1.0
88.44950	1.0
88.98819	2.3
89.02460	4.4
96.96024	1.1
99.00863	1.0
99.08143	3.7
101.02454	6.0
113.02451	3.8
115.00353	0.9
116.92852	1.2
117.01948	0.9
119.03500	1.6
119.05018	1.7
121.02936	1.2
123.04539	7.3
125.02474	1.2
127.07631	7.0
129.05588	8.3
153.05592	8.1
160.04045	1.3
161.04593	2.8
162.05554	1.2
163.03958	1.3
171.06604	2.7
175.02489	1.1
179.77310	0.9
188.03520	2.2
201.45753	0.9
205.12384	1.0
211.04874	1.7
212.07146	4.5
221.06694	2.0
225.04517	1.1
225.06712	3.0
226.03781	1.4
227.08177	4.2
238.05180	1.0
238.08871	1.7
239.04407	4.8
239.08203	2.0
240.05338	4.5
240.06918	1.6
240.10289	1.1
251.08360	1.0
253.06129	2.1
254.06894	3.2
255.07700	12.2
256.08255	1.5
265.06180	1.5
266.08136	1.0
267.04095	30.9
267.07700	7.8
267.11368	3.0
268.04648	3.0
268.08774	1.0
269.09317	2.5
280.05002	4.2
281.05627	5.5
281.09262	4.3
282.03064	1.7
282.06436	11.2
282.09470	1.2
283.07245	31.5
283.10574	1.8
284.07605	1.8
291.07935	1.3
293.05637	2.5
293.08966	1.7
294.06393	5.3
295.07227	20.0
296.07675	2.4
309.08847	12.9
310.09601	6.4
311.10355	21.0
312.10733	1.8
315.09796	1.4
321.15439	1.6
323.09753	3.7
327.09668	1.4
331.15695	0.9
337.08292	18.5
338.08463	1.3
355.09177	5.0
369.10651	1.2
447.14813	1.4
449.23907	4.3
457.17111	12.5
458.17526	1.1
475.15131	1.2
492.28946	1.2
493.16217	1.9
493.22607	1.7
493.29382	2.2
517.14600	1.1
619.22113	3.0
623.18799	100.0
624.19055	20.3
655.10541	2.1
655.21387	28.0
656.21661	5.9
706.69067	1.1
725.13226	1.0
761.25238	8.6
762.26013	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	761.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90377	0.1
61.98827	100.0
62.98544	0.2
67.92175	0.1
70.56060	0.4
70.56424	0.2
80.15565	0.1
82.07255	0.1
86.94228	0.1
87.59701	0.1
130.09436	0.1
166.84894	0.1
238.71407	0.1
245.57112	0.1
256.85672	0.1
258.20105	0.1
292.41470	0.1
465.00446	0.1
526.21936	0.2
758.04755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98526	0.1
70.55866	0.2
70.56215	0.3
152.14496	0.1
177.87657	0.1
178.04134	0.1
362.17645	0.1
389.05765	0.1
454.91476	0.1
712.67102	0.1
790.33258	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	765.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48056	0.4
53.74385	0.3
57.03443	1.3
59.01375	4.1
61.98826	7.9
63.05573	0.3
64.37112	0.3
71.01385	2.2
71.50942	0.6
73.02946	0.6
79.95701	0.4
83.01359	0.6
85.02937	0.9
88.98779	0.7
89.02434	1.1
96.96002	5.0
99.08148	2.7
101.02447	1.2
113.02428	1.7
115.00396	0.4
117.03499	1.0
119.05018	53.6
120.05339	2.6
121.71722	0.4
123.04527	2.1
125.02445	0.4
127.07647	8.5
128.07944	0.4
129.05569	13.7
134.03743	0.4
145.02948	0.7
147.04471	0.9
153.05557	3.3
161.04562	0.4
163.03992	100.0
164.04343	4.5
171.06606	4.1
224.32657	0.4
249.11250	0.4
269.08173	5.4
270.08438	0.7
288.39270	0.5
325.09235	31.1
326.09708	2.3
367.10199	1.4
431.13416	33.3
432.13727	4.6
439.16180	0.7
455.15613	0.6
473.14484	1.0
481.17310	0.4
486.82950	0.5
585.19659	0.5
613.71667	0.4
690.99902	0.5
765.25629	2.8
766.26080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
60.99304	17.2
61.98815	1.0
70.25443	1.1
71.01377	0.4
87.00866	3.2
88.00406	2.6
88.63276	0.3
88.98803	100.0
89.02440	32.9
89.03011	0.8
89.99138	1.2
90.02795	0.5
99.20385	0.3
119.49939	0.3
122.42712	0.3
133.17453	0.3
143.92026	0.4
277.21735	1.1
397.13348	2.3
398.13742	0.4
405.52258	0.3
415.14697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
60.99305	20.1
61.89727	0.3
61.98829	1.1
67.43781	0.3
68.99568	1.9
69.60611	1.1
69.61018	0.7
71.01382	0.7
74.83926	0.3
87.00884	1.9
88.00406	4.0
88.75062	0.3
88.98804	100.0
89.02439	19.0
89.99144	1.1
101.02478	0.3
112.98577	1.6
125.97205	0.3
188.65158	0.3
210.23528	0.3
230.93915	0.3
231.33609	0.3
238.31290	0.3
257.45581	0.3
266.98660	0.3
277.21762	1.2
397.13400	1.7
415.14749	0.4
467.32666	0.3
483.55502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
59.82637	0.1
61.98827	100.0
62.98539	0.2
99.08173	0.2
121.73932	0.1
123.04506	0.1
124.19497	0.1
124.56406	0.1
125.33009	0.1
127.07653	0.3
128.57135	0.1
129.05557	0.4
144.72891	0.1
145.02986	0.4
146.03262	0.1
153.05580	0.2
224.27399	0.1
229.40974	0.1
241.49402	0.1
278.43060	0.1
287.10025	0.1
307.08398	0.1
308.08737	0.1
431.13287	0.3
432.13995	0.3
435.18921	0.3
611.11328	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	767.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
58.88066	1.1
59.01378	9.7
61.98829	14.5
62.75590	1.2
71.01370	3.0
80.35867	1.1
81.07084	2.7
83.05012	1.4
85.02973	1.3
89.02424	1.2
96.96007	1.7
99.08157	12.9
101.02436	2.2
109.06566	5.1
113.02419	1.4
117.97260	2.1
123.04520	37.3
127.07663	25.5
128.08015	1.3
129.05560	10.8
138.03210	6.9
153.05568	100.0
154.05966	2.8
160.63408	1.2
161.04454	1.7
171.06580	7.9
189.07619	1.8
327.10815	3.3
415.35519	1.3
433.14453	1.4
439.16058	73.7
440.16360	7.8
457.16962	6.7
499.18100	12.8
500.18329	2.5
548.75848	1.1
780.54541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.2
59.01378	10.4
61.90505	0.3
61.98824	0.8
67.73294	0.3
71.01382	3.8
71.27122	0.6
73.02939	0.8
77.03980	0.7
81.07108	0.7
83.01390	0.4
83.05019	0.9
85.02948	1.6
89.02448	1.4
93.03452	0.5
95.01415	0.5
95.05032	2.3
96.96017	0.4
99.00864	0.5
99.08157	50.5
100.08500	1.5
101.02438	2.1
101.06067	0.5
105.03457	1.3
109.06573	1.4
111.14211	0.3
113.02444	1.6
119.03491	0.5
121.02953	0.6
123.04523	100.0
124.04850	3.5
127.07652	74.5
128.07976	2.7
129.05579	46.9
130.05902	1.2
138.03186	1.7
145.02943	0.9
149.02417	1.1
153.05573	71.2
154.05919	3.5
161.04555	1.8
171.06624	17.6
172.06914	0.5
189.07666	2.7
256.51370	0.3
285.09769	5.1
327.10840	9.8
327.91907	0.3
328.11154	1.0
432.13766	0.3
433.14441	0.6
439.16101	3.0
440.16440	0.3
457.17123	32.0
458.17471	4.5
471.08319	0.3
481.17056	0.7
499.18195	54.8
500.18579	7.0
519.32074	0.4
580.77264	0.3
663.36096	2.6
681.37250	1.3
682.37830	0.4
723.38300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
60.99303	17.6
61.58338	0.2
61.98818	0.4
70.91576	0.6
71.01369	0.3
81.68414	0.2
87.00880	1.5
88.00407	2.8
88.98801	100.0
89.02436	11.9
89.99139	1.1
92.87892	0.2
101.55738	0.2
110.12682	0.2
124.91810	0.2
148.91124	0.2
152.07980	0.2
243.11745	0.2
279.23285	0.4
348.83182	0.2
397.13535	0.8
411.62979	0.2
436.69077	0.2
558.19983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.9
58.00608	0.9
58.55809	0.9
59.01381	35.3
61.98831	7.6
69.60639	0.8
69.91412	0.7
71.01382	22.5
72.16266	0.8
72.99317	1.6
73.02957	3.7
83.01396	2.1
83.05010	1.1
85.02956	8.2
86.45026	0.8
87.00880	1.3
88.98791	1.0
89.02446	10.4
89.02950	1.0
93.03500	1.0
95.01384	1.2
95.05042	2.7
96.96048	1.3
98.20753	1.8
99.00890	1.8
99.08160	53.2
100.08505	2.0
101.02444	13.0
105.03478	1.1
109.06572	1.8
113.02454	9.9
119.03513	2.7
119.05037	3.5
120.34541	0.9
123.04527	100.0
124.01602	0.9
124.04841	4.1
125.02448	2.4
126.42501	0.8
127.07660	81.3
128.07990	4.2
129.01889	0.8
129.05585	48.8
130.05901	1.4
136.59103	0.8
138.03223	2.3
143.03421	1.1
149.02501	1.3
153.05579	76.0
154.05928	5.4
161.04550	4.0
163.04050	3.3
171.06622	22.0
172.07016	1.0
179.05565	1.5
189.07698	2.9
192.29308	1.0
195.95500	0.8
222.29648	0.8
285.09808	6.3
327.10855	11.6
328.11197	1.0
385.11496	1.0
389.21732	1.8
417.31812	0.9
432.13873	1.4
433.14001	1.4
439.16241	5.0
448.12555	1.3
457.17154	33.6
458.17746	5.2
481.17310	1.1
483.29651	1.5
499.18222	55.9
500.18515	8.4
501.30518	3.7
519.31647	2.9
663.35968	28.5
664.36426	5.3
681.36981	21.7
682.37823	5.1
723.38245	8.9
724.38629	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.9
58.00608	0.9
58.55809	0.9
59.01381	35.3
61.98831	7.6
69.60639	0.8
69.91412	0.7
71.01382	22.5
72.16266	0.8
72.99317	1.6
73.02957	3.7
83.01396	2.1
83.05010	1.1
85.02956	8.2
86.45026	0.8
87.00880	1.3
88.98791	1.0
89.02446	10.4
89.02950	1.0
93.03500	1.0
95.01384	1.2
95.05042	2.7
96.96048	1.3
98.20753	1.8
99.00890	1.8
99.08160	53.2
100.08505	2.0
101.02444	13.0
105.03478	1.1
109.06572	1.8
113.02454	9.9
119.03513	2.7
119.05037	3.5
120.34541	0.9
123.04527	100.0
124.01602	0.9
124.04841	4.1
125.02448	2.4
126.42501	0.8
127.07660	81.3
128.07990	4.2
129.01889	0.8
129.05585	48.8
130.05901	1.4
136.59103	0.8
138.03223	2.3
143.03421	1.1
149.02501	1.3
153.05579	76.0
154.05928	5.4
161.04550	4.0
163.04050	3.3
171.06622	22.0
172.07016	1.0
179.05565	1.5
189.07698	2.9
192.29308	1.0
195.95500	0.8
222.29648	0.8
285.09808	6.3
327.10855	11.6
328.11197	1.0
385.11496	1.0
389.21732	1.8
417.31812	0.9
432.13873	1.4
433.14001	1.4
439.16241	5.0
448.12555	1.3
457.17154	33.6
458.17746	5.2
481.17310	1.1
483.29651	1.5
499.18222	55.9
500.18515	8.4
501.30518	3.7
519.31647	2.9
663.35968	28.5
664.36426	5.3
681.36981	21.7
682.37823	5.1
723.38245	8.9
724.38629	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63020	0.4
59.01381	16.3
60.20229	0.4
61.98825	1.1
69.32436	2.2
69.32847	1.4
71.01390	2.7
77.03847	0.5
79.91813	0.4
85.02946	0.5
89.02444	1.9
91.80035	0.4
101.02456	2.5
113.02463	1.7
114.53858	0.4
161.04526	0.9
170.92171	0.5
183.13921	3.8
193.12399	1.4
211.13391	79.9
212.13771	5.8
214.67903	0.5
227.03587	0.4
235.08220	5.3
253.09300	7.4
259.20389	0.5
277.21713	100.0
278.22037	9.3
279.22708	0.6
299.66354	0.5
337.88763	0.5
429.20987	1.6
447.22281	1.8
448.22488	0.7
513.30621	1.4
606.44623	0.5
683.07892	0.5
767.41370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01377	2.6
61.09454	0.2
61.81223	0.2
61.98831	100.0
62.98548	0.2
63.99245	0.2
69.44733	1.2
71.01383	1.3
73.02945	0.4
75.00885	0.2
83.01401	0.2
85.02963	0.6
88.98810	0.4
89.02457	0.5
95.01342	0.2
96.96012	0.2
98.19934	0.3
99.08170	0.4
101.02427	0.9
106.06667	0.2
108.02240	0.3
108.11806	0.1
109.06604	0.3
113.02473	0.7
119.03531	0.4
119.05058	0.3
123.04527	1.7
127.07655	1.0
129.05577	0.2
138.03207	0.4
144.22380	0.2
150.05576	0.2
151.00352	0.2
153.05576	3.9
154.05910	0.9
161.04555	0.3
163.04027	0.2
167.03519	0.4
171.06621	0.4
173.13434	0.2
193.04907	0.3
237.76288	0.2
303.48087	0.2
311.07639	0.4
314.89862	0.2
315.07339	0.2
344.50305	0.1
356.71304	0.2
415.19821	0.2
419.13443	0.2
435.12796	1.0
437.20410	0.2
439.15842	1.0
440.16208	0.8
457.21097	1.0
465.27316	0.2
606.58569	0.2
664.36658	0.5
665.37152	0.3
682.37067	0.4
769.25287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98827	100.0
67.67187	0.2
68.99563	1.3
74.80360	0.3
84.86803	0.2
97.93123	0.4
98.20657	0.6
106.74753	0.2
112.98548	1.5
114.93408	3.0
115.00406	0.8
139.45883	0.2
206.84265	0.2
229.40439	0.3
241.08815	0.7
265.07239	0.7
277.21722	0.6
344.57492	0.2
457.12778	0.2
500.32480	0.3
728.34711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.6
58.52402	2.9
59.01378	71.1
61.98826	85.8
69.29250	23.8
71.01379	26.9
73.02945	14.6
75.00857	4.3
83.01390	9.5
85.02950	9.4
85.22304	2.4
87.00911	6.1
88.98807	6.3
89.02435	9.9
95.05019	4.6
96.95979	6.0
99.08155	53.2
101.02438	23.8
103.00340	3.7
108.02189	5.1
109.02965	5.5
109.06622	2.9
113.02470	14.0
119.03503	4.4
119.05000	5.4
123.03632	4.6
123.04524	74.4
124.04828	3.1
125.02451	4.4
127.07642	64.3
128.31592	3.0
129.05576	54.5
135.72203	2.4
141.09229	3.7
149.04424	4.2
153.05568	57.4
158.39273	2.5
161.04579	8.1
163.03963	6.8
171.06631	13.8
189.07661	17.9
193.05006	3.5
221.06554	3.8
269.10226	4.6
271.50568	2.9
285.09760	4.4
439.16080	3.3
441.17636	100.0
442.17886	9.8
446.04846	3.1
457.16974	20.4
457.24286	3.4
458.17676	4.6
554.79584	3.4
665.37610	9.5
683.38867	8.0
769.33984	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	769.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99735	0.2
57.21946	0.2
59.01373	0.8
60.99304	18.0
61.98824	1.6
66.99535	0.2
67.46747	0.2
71.01390	0.7
76.49625	0.2
76.93587	0.2
87.00877	1.1
88.00397	4.2
88.98801	100.0
89.02436	14.8
89.85120	0.3
89.99135	1.2
98.19894	0.7
101.02425	0.5
114.93423	1.4
115.00377	0.6
116.28204	0.2
117.78833	0.3
140.45683	0.3
170.42796	0.3
214.72290	0.2
229.10849	0.3
244.09943	0.2
281.24789	0.5
374.30261	0.3
397.13251	1.4
398.13757	0.3
401.45804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98831	100.0
62.98537	0.2
64.33971	0.1
65.56966	0.1
69.38816	0.1
69.39223	0.6
71.01379	0.3
83.05046	0.1
88.98788	0.1
89.02470	0.2
98.20648	0.2
101.02459	0.2
113.02468	0.1
119.03505	0.1
123.04523	0.1
126.54168	0.1
129.05592	0.1
139.07646	0.1
143.06900	0.1
153.05595	0.3
163.04091	0.1
191.35480	0.1
242.70912	0.1
311.54663	0.1
324.32550	0.1
394.85461	0.1
421.61737	0.1
439.16006	0.4
502.26544	1.2
503.26047	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	770.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98535	0.2
68.60346	0.1
69.32044	1.1
83.63595	0.1
84.92728	0.2
126.43614	0.2
162.64519	0.1
211.13379	0.3
212.13615	0.3
261.99164	0.1
277.21750	0.3
278.22107	0.5
279.22510	0.2
333.31555	0.1
402.08951	0.1
460.65225	0.2
490.96695	0.2
526.40881	0.1
774.43854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1984
Annotation	kaempferol 3-O-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01374	3.3
61.98856	0.4
63.02394	0.9
65.00330	0.6
69.72517	2.3
72.12603	0.4
74.76474	0.4
77.12199	0.4
93.03464	1.1
100.67281	0.4
107.01389	1.0
108.02139	0.4
113.02435	0.5
115.00395	0.5
117.03475	0.4
121.02955	0.4
123.04494	0.5
133.02972	0.7
135.00868	0.8
145.02937	0.7
151.00362	3.2
153.01920	0.5
159.04454	0.5
163.00371	1.1
164.01108	0.4
169.06557	1.3
173.06018	0.5
177.01933	1.1
183.04483	1.3
185.06107	1.4
187.03987	1.5
199.03944	0.4
201.05544	0.7
211.04054	1.9
213.05527	1.3
215.03467	0.7
215.11789	0.4
227.03487	12.4
227.05730	0.6
228.04008	0.6
229.05000	3.9
239.03494	1.1
240.04169	0.9
241.05132	0.9
243.03061	0.7
243.81310	0.4
255.02977	33.1
256.03488	3.9
257.04523	2.2
269.04333	0.9
271.02423	1.2
283.02457	28.8
284.03235	31.7
285.04028	100.0
286.04376	7.0
294.97705	0.4
297.03903	0.8
299.01959	1.9
300.02686	0.9
301.03424	1.2
321.15421	0.4
327.04938	2.0
327.08563	0.4
446.08350	1.6
447.09271	14.9
448.09653	1.5
609.14575	74.7
610.14862	11.6
771.20135	4.5
772.19714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72389	0.6
59.01386	0.9
63.80094	0.6
67.20705	0.6
69.79439	3.0
83.01412	1.2
93.03465	1.2
96.96022	0.7
98.20612	0.8
107.01398	2.0
127.07635	0.9
141.50359	0.6
143.45549	0.7
145.02940	1.1
151.00352	2.6
159.04480	0.7
163.00482	0.9
166.62532	0.7
167.05045	0.7
169.06671	0.9
171.04594	1.1
183.04486	1.1
185.06075	1.7
187.04066	1.0
189.05588	1.0
199.03969	1.0
211.04028	2.5
213.05478	1.0
215.82462	0.7
220.28618	0.7
227.03491	13.0
228.03949	0.7
229.05002	4.0
239.03516	0.8
241.05144	1.3
252.20926	0.6
255.02985	31.6
256.03482	3.4
257.04553	4.0
283.02487	29.5
284.03220	27.4
285.04031	100.0
286.04425	5.5
299.05472	0.7
321.22610	0.7
327.05103	2.2
351.12909	0.8
446.08316	1.2
447.09058	3.4
468.74518	0.7
609.14569	96.5
610.14862	13.3
651.15930	0.9
671.13477	0.7
771.20013	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	771.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98942	0.6
57.03453	4.6
59.01371	1.1
70.22111	0.5
71.01379	2.2
75.49493	0.6
85.02944	0.9
95.04996	1.2
98.20786	1.4
99.08157	26.6
100.08457	1.3
101.02418	1.5
105.03469	0.8
109.05899	0.7
113.02433	0.9
113.85694	0.6
123.04523	52.8
124.04834	1.6
127.07653	36.1
128.07988	1.5
129.05582	23.8
130.05875	1.1
139.51987	0.6
149.02428	0.6
150.27855	0.6
153.05571	24.0
154.05902	1.4
161.04555	4.1
171.06648	4.7
174.66068	0.6
189.07692	1.7
255.03288	0.6
276.19565	0.7
285.09784	6.0
359.58109	0.7
414.44775	0.6
439.16025	1.0
457.17123	100.0
458.17407	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	771.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90804	0.5
55.92242	0.5
57.03447	5.8
59.01376	1.4
71.01373	2.0
71.42116	0.8
73.02949	0.5
83.05013	0.6
85.02951	0.9
95.05045	0.6
96.50099	0.5
99.08152	27.6
100.08503	0.8
101.02444	1.7
109.06564	0.8
113.02424	1.3
123.04519	56.4
124.04857	2.0
127.07646	36.4
128.07994	1.5
129.05571	26.1
130.05908	0.9
138.03186	0.9
153.05568	27.1
154.05882	0.7
161.04601	2.6
166.24033	0.6
171.06593	4.9
173.73224	0.6
189.07683	2.1
213.75865	0.7
267.40341	0.6
285.09802	6.2
360.89081	0.5
377.17807	0.7
380.04047	0.6
457.17130	100.0
458.17438	12.7
519.91846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89017	0.2
59.01378	0.4
61.98833	2.6
71.01369	0.2
73.02949	2.8
75.00881	0.4
75.10749	0.2
98.20660	0.4
99.00874	0.8
99.92587	10.8
100.92596	0.5
113.42170	0.2
114.93414	0.2
116.92866	100.0
116.97239	1.2
117.01939	4.9
117.05604	0.2
117.92876	5.1
130.34787	0.2
255.23354	0.3
339.76437	0.2
412.27960	0.2
699.69275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98828	100.0
62.98523	0.2
62.99228	0.1
65.32418	0.1
69.91113	0.5
71.01380	0.3
73.02942	0.1
75.60335	0.1
80.96510	0.3
85.02965	0.2
88.98808	0.2
89.02452	0.2
95.01395	0.1
101.02441	0.3
105.01932	0.2
113.02470	0.3
119.03549	0.1
119.05010	0.2
123.04541	0.4
127.07658	0.3
129.05605	0.3
153.05589	0.5
157.01375	0.1
161.91592	0.1
163.03979	0.1
171.06639	0.1
195.93167	0.1
206.90329	0.1
246.75255	0.1
254.76071	0.1
273.20630	0.1
362.19351	0.1
371.15207	0.1
441.17361	0.1
461.24164	0.3
566.04468	0.1
773.35352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69682	0.1
59.01381	1.1
61.98829	100.0
62.98527	0.1
70.98701	0.2
70.99033	0.2
71.01389	0.6
71.78753	0.1
72.21387	0.1
73.02943	0.2
77.81823	0.1
80.96517	0.1
83.05045	0.2
87.00916	0.1
88.98827	0.2
89.02463	0.2
96.38882	0.1
99.00742	0.1
99.08186	0.3
101.02468	0.4
103.00351	0.1
110.23004	0.1
113.02479	0.2
115.00410	0.1
118.03417	0.1
123.04557	0.5
127.07635	0.3
129.05638	0.3
153.05588	0.5
161.04616	0.2
163.03932	0.2
167.03505	0.1
175.84700	0.1
283.13474	0.2
310.34509	0.1
345.17068	0.3
364.22507	0.1
371.15021	0.1
418.21838	0.1
419.22504	0.1
439.16559	0.1
459.22623	0.4
460.22913	0.4
461.24036	0.4
504.28635	0.3
519.24591	0.1
619.56610	0.1
773.33929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16147	0.6
57.03443	2.2
58.00593	1.4
59.01375	34.0
61.98827	10.6
63.17691	0.7
68.99570	1.8
69.30109	2.5
69.30542	3.6
71.01381	24.5
72.99289	2.3
73.02944	2.1
83.01401	1.0
83.05030	1.1
85.02934	3.8
87.00849	1.0
88.98765	1.3
89.02441	32.8
91.87111	0.6
95.01397	1.9
99.08152	2.7
101.02438	14.3
105.14346	0.6
109.06566	3.3
112.98547	1.5
113.02448	10.7
119.03492	14.7
122.71716	0.6
123.04496	1.9
127.07645	11.2
129.05576	17.3
131.03484	1.6
138.03247	3.3
143.03458	4.0
149.04552	1.4
153.05566	100.0
154.05887	3.5
161.04543	7.7
171.06615	2.3
179.05600	75.3
180.05949	3.0
227.85608	0.7
257.08078	0.9
264.19644	0.7
300.03400	0.7
333.11880	26.5
334.12305	1.8
341.11029	1.3
367.28836	0.7
375.13303	0.7
439.16028	1.4
495.17218	2.0
601.21143	2.4
667.91174	0.6
672.83893	0.7
773.28290	2.6
774.29071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
57.03427	0.8
58.00595	1.6
59.01377	31.3
61.98817	2.4
69.03428	0.8
71.01377	29.3
72.99300	1.6
73.02948	4.6
75.00845	0.6
81.03410	0.8
81.96210	0.6
83.01366	2.9
85.02937	7.1
86.00095	0.9
87.00841	1.9
88.98813	1.5
89.01929	1.1
89.02441	10.0
95.01365	2.8
97.02925	1.1
99.00865	1.9
101.02435	14.7
111.00851	0.9
113.02454	8.4
119.03474	2.7
125.02380	1.3
140.83257	0.6
161.04523	1.4
189.70682	0.7
229.09932	0.8
241.21709	1.0
271.09879	1.0
287.22180	2.3
291.80307	0.7
449.27426	3.4
505.26614	1.3
558.00970	0.8
585.10754	0.9
593.31488	1.9
611.32782	10.5
612.33032	2.5
773.38043	100.0
774.38428	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	775.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93336	0.3
61.98832	3.1
65.88663	0.2
69.24598	0.3
78.95901	8.1
79.95738	3.7
83.42873	0.3
88.77013	0.4
90.93956	0.3
94.98086	0.7
95.97627	0.3
96.96013	100.0
96.96920	10.2
98.02470	0.3
98.90692	0.5
102.29178	0.3
128.41391	0.3
209.36646	0.4
246.55980	0.3
397.13882	0.4
412.23993	0.3
453.09705	0.5
715.32611	0.5
775.41040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25214	1.7
57.03430	1.8
59.01375	100.0
61.98825	29.7
64.10258	1.5
69.30230	3.1
69.30629	12.0
71.01387	8.5
72.99297	1.9
73.02939	2.2
77.45441	1.9
83.01374	1.9
83.05037	8.5
85.02935	4.5
85.06592	1.7
87.00880	2.2
88.98780	2.2
96.95988	3.0
99.00932	2.0
99.04500	2.3
101.02432	3.9
108.48029	1.5
111.04510	4.3
113.02437	4.2
116.92833	4.5
123.04459	2.0
126.71564	1.5
127.04005	11.1
127.07654	2.1
129.05560	11.0
136.86061	1.8
141.09251	2.8
147.04520	2.6
152.04701	1.7
153.05519	7.4
161.04601	2.4
164.28633	1.5
171.10193	3.7
209.11832	2.3
225.16647	1.6
226.06247	2.1
241.08743	2.6
332.39432	1.7
406.85318	1.8
408.21921	1.7
461.28128	1.8
473.22513	1.7
515.36023	2.1
567.38910	5.2
585.39661	4.4
593.37067	5.6
611.37567	2.1
627.41302	5.2
653.39130	16.4
654.39319	4.9
671.40027	3.1
672.40204	2.1
713.41412	11.1
714.41486	3.2
731.42181	6.3
732.42261	2.3
775.45264	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	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21564	15.1
61.98826	47.9
69.49688	100.0
78.27905	15.1
125.24816	17.2
211.13176	23.4
277.21652	32.8
337.03998	18.6
363.04742	16.5
414.71030	16.0
553.25928	17.1
631.04102	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	775.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03437	0.9
59.01119	0.7
59.01377	10.3
61.98823	6.7
71.01378	8.0
72.99285	1.3
73.02925	2.8
75.00870	0.7
83.01378	2.0
85.02953	4.1
86.00056	1.1
87.00867	1.2
89.02428	1.7
99.00870	1.3
99.08144	1.4
101.02422	5.1
107.08652	1.2
111.00912	1.4
113.02417	2.0
115.00220	0.6
119.03546	0.6
119.05005	1.5
121.02945	3.6
121.60921	0.6
123.04551	5.0
127.07629	2.1
129.01917	0.7
129.04108	0.6
129.05557	2.5
133.06656	1.0
135.03062	0.6
135.04500	1.4
136.05322	3.9
136.07643	2.4
137.02464	0.6
147.04530	1.5
149.06059	1.3
151.07631	9.8
153.05556	2.2
163.04005	1.4
166.39243	0.7
170.49237	0.8
189.07692	3.4
211.13371	1.8
447.22308	1.1
451.34015	1.5
457.16483	0.8
481.70505	0.8
595.38593	4.0
596.38794	1.4
613.39404	7.9
614.39746	1.9
775.44763	100.0
776.30988	1.6
776.44983	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03431	0.9
58.00606	0.8
59.01113	1.0
59.01379	13.6
61.98829	16.3
62.05309	0.7
65.34024	0.6
71.01385	10.3
71.50457	0.9
72.99290	1.5
73.02938	2.7
75.49918	0.8
83.01371	2.9
85.02949	4.9
86.00090	1.1
87.00838	1.5
88.96996	0.6
88.98792	2.2
89.02422	2.7
95.01409	1.2
95.27832	0.6
96.72579	0.6
99.00871	1.4
99.08154	1.9
101.02442	6.7
107.08601	0.6
111.00872	1.9
113.02473	3.2
115.00312	0.9
116.92855	1.9
119.03520	1.1
119.04990	2.2
121.02966	5.0
123.04510	7.5
125.02470	1.0
127.07606	4.0
129.05606	3.2
133.06563	0.9
135.04524	1.6
136.05290	5.1
136.07639	1.6
137.02393	1.1
139.03835	0.7
147.04460	1.0
149.06053	3.4
151.07649	8.2
153.05548	2.9
157.04974	0.7
161.04611	0.7
163.03996	2.1
168.04250	1.1
171.06593	2.3
179.05563	0.8
189.07657	3.5
209.11807	0.9
211.13391	2.5
293.73120	0.7
305.20966	0.7
392.90497	0.8
433.33026	1.9
451.34290	1.7
471.25980	2.5
595.38269	4.7
596.38794	1.1
609.23901	0.8
613.39594	9.2
614.39624	1.7
757.43988	1.2
775.44824	100.0
776.31812	1.2
776.45105	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	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
71.12165	0.2
116.14700	0.1
122.00440	0.1
191.82553	0.1
712.54108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
59.18367	0.4
61.98832	100.0
66.81874	0.4
68.99586	0.5
71.07787	0.8
78.95961	0.5
114.88818	0.4
211.13281	0.5
471.33792	0.5
590.61676	0.4
604.77362	0.5
635.77777	0.5
672.30261	0.4
720.54761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22864	0.2
59.01378	0.4
61.98826	100.0
62.98529	0.3
63.33757	0.2
71.50435	0.2
77.65906	0.2
88.98838	0.2
90.15265	0.2
90.40997	0.2
98.81506	0.2
101.93568	0.2
105.35682	0.2
134.03676	0.3
136.62929	0.2
138.72501	0.2
154.13835	0.2
157.81624	0.2
178.24464	0.2
179.03380	0.2
180.73389	0.2
459.97165	0.2
480.02304	0.2
519.27954	0.2
713.25934	0.8
788.96631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.3
59.01381	8.7
61.98832	6.7
62.87832	0.7
64.28566	1.0
70.18600	0.8
71.01367	7.0
73.02934	1.4
83.01376	1.1
84.45948	0.8
85.02946	3.9
87.00877	1.7
88.98842	0.8
89.34927	0.8
93.03441	2.8
95.01424	0.8
95.05021	2.0
98.20816	1.4
99.08159	34.5
100.08498	1.1
101.02414	4.1
105.03505	1.2
108.07821	1.0
109.06551	1.0
111.00861	0.9
112.94405	0.8
113.02427	2.0
116.92842	1.0
119.03493	0.8
121.02962	6.6
123.04523	96.7
124.04839	4.5
127.07652	55.0
127.08394	0.6
128.07976	2.3
129.05574	57.7
130.05936	1.1
138.03203	1.8
139.04018	13.7
149.02408	1.1
153.04312	2.1
153.05568	41.9
154.05901	1.5
161.04544	6.2
163.09827	1.1
171.06628	9.6
189.07664	25.0
229.25497	1.0
285.09851	6.6
301.09180	3.2
317.58762	0.9
347.24469	4.2
386.61386	0.9
429.21201	3.2
432.15805	0.9
433.02274	1.1
439.16159	1.4
457.17120	100.0
458.17517	13.3
473.16592	32.3
474.16959	5.4
509.29630	16.4
510.29407	1.5
597.60779	0.9
741.26105	23.3
741.36975	0.8
742.26489	4.3
777.24713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.7
59.01377	5.5
61.98821	4.8
66.06667	1.0
68.99793	2.8
71.01375	6.5
71.50845	2.0
73.02931	2.8
83.01388	1.8
85.02943	6.6
87.00867	2.0
89.02432	1.9
95.01355	1.4
95.05010	4.8
99.00872	3.4
99.08154	40.8
101.02423	3.9
105.03436	1.3
109.28916	0.9
111.00871	2.1
113.02455	4.7
113.99576	9.3
115.00378	4.7
115.04022	1.0
119.01775	1.1
121.02954	1.6
123.04519	100.0
124.04838	3.8
127.00388	1.7
127.07642	47.0
128.07953	2.7
129.01932	1.8
129.05576	22.2
129.53612	0.9
130.05925	0.9
138.03137	0.9
149.02422	1.6
149.07742	1.1
153.05566	35.2
154.05922	1.0
156.00616	1.0
157.01381	2.6
161.04552	4.1
171.06619	8.1
174.01678	3.0
189.07660	2.7
277.05594	16.4
285.09769	7.2
319.06967	1.1
337.07718	11.2
338.08087	1.0
443.14975	1.3
457.17078	13.9
458.17615	1.8
777.24487	86.8
778.24817	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	777.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
60.24743	0.7
61.98824	3.9
71.01373	3.2
85.02950	0.9
86.46925	0.6
87.04516	1.4
95.05034	1.0
97.02954	3.6
101.02432	1.4
106.06625	29.1
107.05036	2.6
107.06989	0.8
108.04559	2.3
108.77534	0.6
113.02457	1.1
120.05816	1.9
122.06087	0.7
123.04508	2.0
125.06065	3.4
131.03468	1.0
132.04546	5.2
134.06123	37.9
135.04593	0.8
135.06502	1.5
135.08153	6.0
141.05582	1.1
148.04091	0.6
150.05627	4.4
151.03975	0.8
154.46315	0.6
160.04036	16.3
161.04678	1.9
162.05598	100.0
163.05974	4.5
168.98917	1.1
174.05597	2.8
176.03543	0.7
182.51208	0.8
186.05612	0.9
186.09250	2.7
187.06371	2.8
188.03523	22.4
188.07080	1.0
189.03879	1.6
190.05193	0.6
190.08777	0.9
193.03740	1.5
196.88132	0.6
198.05632	0.8
198.09233	4.0
200.07172	1.5
201.07907	0.9
202.05084	0.7
202.08670	1.1
204.06616	2.5
212.07280	1.4
213.93153	0.6
214.08670	2.5
214.12335	3.1
216.06622	0.7
216.13914	2.6
222.09242	1.5
224.07159	2.1
226.05034	1.2
227.05795	0.9
228.10272	1.4
230.08179	8.3
231.08672	1.0
236.09146	0.7
238.08759	2.4
240.10257	6.1
242.08237	1.7
242.11946	1.3
252.10278	1.1
253.07483	0.9
254.08188	1.9
258.07535	0.7
258.11365	9.4
259.11734	0.9
266.08228	1.0
268.09741	2.0
270.07758	1.5
270.11197	1.4
279.11383	3.3
284.09247	1.1
288.12424	2.5
296.09277	2.7
302.10364	6.1
305.12845	1.5
307.10867	3.7
312.08521	0.8
314.10260	1.0
315.11356	1.4
333.12411	18.9
334.12784	1.8
349.15717	1.5
375.13629	1.8
377.11481	0.9
403.16467	2.0
411.13602	1.8
421.17661	9.1
422.18088	1.3
429.14554	22.8
430.14969	3.1
435.13919	0.7
447.15594	11.8
448.16022	2.6
526.21265	1.2
570.19720	4.7
571.19965	0.9
614.19501	1.0
623.36462	5.9
672.24146	0.7
689.27039	7.4
690.27594	1.7
715.25195	5.8
716.25208	1.0
733.26154	28.0
734.26526	8.9
759.45282	1.0
777.25122	6.9
777.46478	2.2
778.25659	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	777.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39441	0.8
59.01376	5.9
60.53712	0.8
61.98833	10.5
71.01375	3.6
71.50444	1.0
77.30704	0.8
83.48814	0.8
87.04526	1.2
97.02954	4.6
101.02434	1.6
106.06624	32.3
107.05039	3.2
107.06955	1.2
108.04565	1.4
111.93785	0.9
112.13909	0.8
113.02441	1.5
118.06667	1.0
121.02955	1.0
122.06158	1.2
123.04554	1.9
125.06059	3.7
127.07628	1.9
132.04549	3.9
134.06117	39.6
135.04565	1.0
135.06461	1.8
135.08076	0.9
141.05515	1.3
150.05595	3.8
153.05563	3.3
155.10796	3.2
160.04027	22.0
161.04639	1.1
162.05603	100.0
163.05931	5.0
165.05600	1.0
167.05225	0.9
171.06720	1.4
174.05589	2.6
186.05608	1.6
186.09280	2.8
187.06342	3.0
188.03514	23.1
190.05040	1.3
190.08734	1.2
193.03769	2.4
198.09190	3.6
199.09714	2.4
200.07191	1.9
202.08794	2.4
204.06625	3.6
210.05611	1.0
212.06985	1.0
212.10811	1.3
214.08713	3.0
214.12408	3.1
216.06689	1.1
216.13818	2.2
222.09293	1.3
224.07156	3.0
225.07788	1.2
226.05135	2.4
226.08684	1.0
228.10344	1.3
230.08228	9.4
233.16432	0.9
238.08745	2.4
240.10323	6.2
242.08188	3.1
242.11734	1.9
254.08116	1.1
258.07413	1.4
258.08517	1.0
258.11252	8.7
259.11792	1.2
260.12872	1.2
266.08249	1.6
268.09711	2.1
270.07703	1.4
270.11331	1.0
279.11353	2.6
286.10736	1.2
288.12350	3.9
296.09210	1.7
302.10245	6.0
305.12933	1.4
307.10886	3.6
312.08966	1.3
315.11362	1.7
333.12405	17.6
334.12805	1.9
375.13284	1.4
377.18945	0.9
387.13623	1.0
403.16547	2.4
421.17593	10.2
422.17993	1.4
429.14511	29.1
430.14920	4.1
447.15604	14.9
448.15808	2.2
465.16565	2.4
491.14359	1.0
526.20709	1.0
570.19824	5.3
623.36707	1.3
689.27118	10.0
690.27625	1.4
715.24933	8.1
716.24896	2.1
733.13116	1.8
733.26184	32.6
734.26306	7.7
777.24768	9.6
778.25488	2.1
794.51880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39441	0.8
59.01376	5.9
60.53712	0.8
61.98833	10.5
71.01375	3.6
71.50444	1.0
77.30704	0.8
83.48814	0.8
87.04526	1.2
97.02954	4.6
101.02434	1.6
106.06624	32.3
107.05039	3.2
107.06955	1.2
108.04565	1.4
111.93785	0.9
112.13909	0.8
113.02441	1.5
118.06667	1.0
121.02955	1.0
122.06158	1.2
123.04554	1.9
125.06059	3.7
127.07628	1.9
132.04549	3.9
134.06117	39.6
135.04565	1.0
135.06461	1.8
135.08076	0.9
141.05515	1.3
150.05595	3.8
153.05563	3.3
155.10796	3.2
160.04027	22.0
161.04639	1.1
162.05603	100.0
163.05931	5.0
165.05600	1.0
167.05225	0.9
171.06720	1.4
174.05589	2.6
186.05608	1.6
186.09280	2.8
187.06342	3.0
188.03514	23.1
190.05040	1.3
190.08734	1.2
193.03769	2.4
198.09190	3.6
199.09714	2.4
200.07191	1.9
202.08794	2.4
204.06625	3.6
210.05611	1.0
212.06985	1.0
212.10811	1.3
214.08713	3.0
214.12408	3.1
216.06689	1.1
216.13818	2.2
222.09293	1.3
224.07156	3.0
225.07788	1.2
226.05135	2.4
226.08684	1.0
228.10344	1.3
230.08228	9.4
233.16432	0.9
238.08745	2.4
240.10323	6.2
242.08188	3.1
242.11734	1.9
254.08116	1.1
258.07413	1.4
258.08517	1.0
258.11252	8.7
259.11792	1.2
260.12872	1.2
266.08249	1.6
268.09711	2.1
270.07703	1.4
270.11331	1.0
279.11353	2.6
286.10736	1.2
288.12350	3.9
296.09210	1.7
302.10245	6.0
305.12933	1.4
307.10886	3.6
312.08966	1.3
315.11362	1.7
333.12405	17.6
334.12805	1.9
375.13284	1.4
377.18945	0.9
387.13623	1.0
403.16547	2.4
421.17593	10.2
422.17993	1.4
429.14511	29.1
430.14920	4.1
447.15604	14.9
448.15808	2.2
465.16565	2.4
491.14359	1.0
526.20709	1.0
570.19824	5.3
623.36707	1.3
689.27118	10.0
690.27625	1.4
715.24933	8.1
716.24896	2.1
733.13116	1.8
733.26184	32.6
734.26306	7.7
777.24768	9.6
778.25488	2.1
794.51880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.2
60.56715	3.7
61.98827	40.2
69.35151	29.0
110.42136	4.0
129.03436	3.8
135.44530	4.7
135.45587	4.8
138.04323	4.6
161.04541	4.4
201.11330	40.5
209.11819	74.4
227.12790	14.8
235.08209	16.2
240.85257	5.2
253.09302	19.1
277.21729	88.7
278.22104	10.2
279.23267	100.0
280.23572	5.7
441.19431	5.6
445.20844	4.5
498.36450	4.7
513.30475	8.9
738.77295	4.5
777.41949	17.1
778.42029	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	779.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12316	0.3
57.03435	0.5
59.01375	20.1
61.98824	1.4
66.07063	0.3
66.87319	0.4
69.03450	1.3
69.49415	2.4
71.01371	3.0
71.05050	0.4
73.02928	0.5
83.05027	0.5
85.02939	0.7
85.06583	0.4
87.00881	0.7
89.02445	2.2
101.02438	2.7
110.05854	0.3
113.02416	1.1
119.03491	1.1
125.09773	0.5
141.09222	0.4
149.09698	0.7
161.04536	1.5
161.13286	0.4
167.10732	2.3
173.20183	0.4
177.12892	0.6
179.05592	0.7
179.10762	0.9
179.14384	2.7
195.13881	9.0
196.14211	0.6
205.12325	9.3
223.13373	100.0
224.13713	7.2
235.08275	2.5
253.09251	8.1
254.09695	0.5
260.89096	0.4
273.68250	0.4
277.21698	68.2
278.22009	7.1
381.84418	0.4
441.21124	1.9
459.22293	13.3
460.22516	2.0
513.30243	0.6
719.43799	1.8
720.44061	0.5
736.62311	0.4
779.39709	0.5
814.57898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.0
65.76738	0.3
71.51111	0.5
77.18992	0.3
77.37346	0.3
79.95721	2.0
95.95267	0.3
96.96006	69.8
97.95944	0.4
99.38412	0.3
152.99542	0.4
197.20682	0.3
218.32634	0.3
265.14758	100.0
266.15097	6.8
340.53448	0.3
368.78070	0.3
386.93808	0.3
466.52460	0.3
752.77271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01370	1.3
59.47890	0.9
61.98826	100.0
71.49314	1.2
80.96515	4.5
84.95119	1.2
99.08150	7.0
101.98075	8.3
123.04516	20.3
127.07655	11.4
129.05574	23.6
143.99155	1.7
153.05554	9.0
171.06598	4.4
184.05925	7.6
193.04831	2.8
208.02202	3.4
211.05859	5.6
212.05338	12.1
214.03307	27.0
219.75972	1.2
223.13354	3.0
224.13789	1.5
277.21664	3.5
278.21973	1.7
305.14337	1.0
340.20883	3.0
461.14352	1.3
674.94366	1.2
695.40430	5.1
696.40253	1.7
780.37836	13.2
781.39380	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	781.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
58.00599	4.0
59.01376	100.0
61.98820	5.8
69.03463	1.9
69.75967	3.3
69.76382	4.8
71.01379	77.7
72.99307	4.0
73.02946	10.0
81.03458	2.3
81.07047	1.8
83.01390	6.5
83.05051	1.5
85.02956	24.9
87.00866	8.2
89.02444	68.3
95.01379	7.0
97.02947	4.7
99.00861	6.8
99.08143	3.3
101.01797	3.0
101.02435	45.0
109.06593	3.3
111.00945	2.0
113.01723	2.7
113.02451	37.4
119.03503	27.2
123.04520	15.0
125.02462	4.1
127.07658	24.0
129.05559	5.3
131.03508	4.9
138.03204	4.2
139.63275	1.3
142.83545	1.5
143.03493	12.0
149.04488	1.7
153.05571	77.4
154.05911	4.4
161.03261	2.6
161.04547	35.4
162.04808	1.6
171.06673	8.1
171.07921	1.3
179.05594	44.6
180.05920	1.5
207.36345	1.5
219.95177	1.4
221.06644	6.3
245.06650	3.5
255.02655	1.8
263.07581	3.1
323.09802	67.9
324.10278	3.2
341.10849	3.4
351.13080	2.7
383.11792	3.8
439.15967	3.2
447.08859	2.9
447.15036	42.0
448.15295	5.3
457.17395	2.9
513.17944	2.6
601.21515	8.5
602.21429	2.0
619.22363	1.9
683.64459	1.6
781.27881	25.2
782.28070	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	781.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.8
59.01376	61.7
67.63841	1.0
69.03448	2.4
69.68747	3.4
69.69164	3.0
71.01377	42.9
72.99293	1.8
73.02927	5.4
81.03453	2.0
81.07102	2.5
83.01389	4.5
85.02950	10.1
87.00877	4.9
89.02443	48.6
95.01391	3.3
95.05032	2.1
97.02937	4.1
99.00851	2.4
101.02441	31.3
109.06582	3.0
111.00860	1.7
113.02444	19.5
118.62009	1.1
119.03503	23.5
123.04509	17.5
125.02441	14.3
127.07649	21.8
131.03487	4.1
138.03212	3.4
143.03488	5.1
149.04491	1.2
153.05569	46.1
154.05875	2.1
161.04572	7.8
166.87801	1.4
171.06633	8.4
173.45096	1.2
179.05594	17.3
221.06689	10.4
245.06697	1.6
263.07687	4.6
323.09805	100.0
324.10208	6.6
439.16159	1.7
447.15057	22.9
448.15707	1.9
601.21332	21.2
602.21582	4.1
781.27612	21.0
782.27869	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	781.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03444	1.8
59.01376	38.2
64.78783	1.3
71.01383	37.2
72.99278	1.7
73.02948	4.2
81.07090	5.0
82.51159	1.1
83.01393	3.5
83.05038	2.2
85.02943	14.2
85.11767	1.1
87.00883	4.4
89.02448	22.5
95.01407	3.0
95.05061	1.3
97.02979	3.2
99.00870	8.2
101.01807	1.8
101.02444	23.5
101.53905	1.1
109.06582	9.0
113.02443	17.9
119.03501	10.8
121.02991	1.4
123.04525	19.6
123.91143	1.2
125.02460	5.1
127.07650	31.3
131.03516	2.9
138.03210	12.8
143.03476	5.7
143.61908	1.2
153.05576	100.0
154.05898	4.1
161.04567	13.8
171.06633	14.9
179.05606	11.2
221.06630	5.6
245.06564	5.7
263.07611	6.5
276.62949	1.2
305.08759	1.4
323.09833	48.6
324.10092	2.2
341.10901	1.7
439.16003	14.7
440.16693	1.9
447.15076	32.8
448.15280	4.7
516.60730	1.3
601.21368	58.0
602.21790	10.2
781.27667	24.9
782.27960	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	781.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81395	0.3
58.00587	0.9
58.55071	0.4
59.01377	23.2
70.24950	1.6
71.01378	14.1
72.99299	1.1
73.02957	0.6
82.50596	0.4
83.01378	0.7
85.02965	3.5
85.06590	0.7
89.02441	15.0
93.03465	0.7
95.01403	1.5
98.20560	0.5
101.02429	10.3
107.70555	0.5
113.02445	5.2
113.06091	0.7
117.03461	0.8
119.03517	6.2
119.05019	73.4
120.05350	3.0
124.40845	0.4
131.03517	0.5
131.07123	1.6
133.02924	2.1
133.06543	0.9
145.02940	3.6
146.03209	0.4
149.04495	0.4
161.04608	0.7
161.06096	1.3
161.47719	0.4
163.04001	100.0
164.04344	5.6
171.91762	0.4
177.01947	2.0
179.05649	0.8
205.05069	1.7
229.34061	0.5
253.08124	0.4
293.12393	39.0
293.14841	1.9
294.12720	3.1
325.09247	70.0
326.09586	6.1
559.07947	0.4
646.67444	0.4
660.75354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
58.00573	2.3
59.01377	100.0
61.98830	8.7
65.02339	1.1
69.03447	1.3
71.01377	61.3
72.01748	2.1
72.99303	2.9
73.02942	4.3
73.95548	1.1
83.01382	7.6
85.02950	12.5
85.19195	1.2
87.00871	9.5
89.02440	79.6
90.02738	1.9
95.01376	4.3
97.02961	1.4
99.00871	2.7
99.08154	8.3
101.01797	2.4
101.02435	33.7
110.00090	1.9
113.02444	31.0
115.00351	1.7
119.03491	26.6
123.04528	17.0
125.02435	1.4
127.07642	17.3
127.89767	1.1
129.05566	23.4
131.03514	2.8
138.03262	1.4
143.03508	8.2
149.04521	3.4
153.05569	37.5
154.05956	1.5
161.04555	13.0
171.06587	5.3
179.05597	28.9
221.06747	1.7
285.09689	3.0
314.93207	1.3
323.09827	23.2
324.10181	1.7
341.10858	83.8
342.11258	6.1
383.11923	65.9
384.12201	5.0
447.15073	2.5
457.16956	9.1
458.17239	2.0
495.17029	8.6
513.18176	53.5
514.18414	7.6
619.21527	2.5
781.24579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.3
59.01377	2.7
61.98823	0.5
72.00885	0.3
72.99306	8.4
75.00874	3.7
87.00877	0.5
103.00375	1.4
103.04034	0.2
104.00673	0.2
104.03518	0.9
105.01931	100.0
106.02255	1.6
151.98723	0.1
155.79735	0.2
176.54593	0.1
192.61383	0.1
354.86020	0.2
637.91119	0.1
813.01190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.3
61.98822	12.4
68.99563	1.1
71.01366	3.0
71.50502	1.7
72.47224	0.8
78.95908	1.6
80.96516	1.9
83.88307	1.0
85.02941	1.8
87.00858	1.1
95.75362	1.0
97.02941	4.8
99.00880	6.3
101.02431	2.6
109.06548	1.5
110.03735	1.1
112.98597	1.0
113.02453	1.6
116.92866	1.2
123.04510	1.7
125.09701	2.5
127.07601	1.3
136.69963	0.9
142.02652	1.9
163.11263	4.0
181.12305	6.7
194.50459	0.8
207.10228	22.3
208.10616	1.5
225.11302	51.8
226.11609	2.9
235.08243	2.2
243.12386	5.2
253.09290	3.6
277.21695	100.0
278.22034	9.3
431.35492	1.0
443.19144	3.3
461.20169	5.2
636.94867	0.9
655.82971	1.3
721.41577	20.1
722.42462	6.3
781.40063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.5
61.98830	100.0
64.43127	1.5
66.58492	1.7
67.15418	1.5
68.99567	1.8
71.01363	4.5
71.42032	2.8
78.95901	3.1
80.96510	5.1
81.03462	2.7
83.05019	2.2
87.00849	1.7
89.02421	4.0
94.68598	1.7
97.02924	5.9
101.02435	6.4
103.75556	1.8
109.06591	33.0
110.03698	3.0
135.08154	4.2
142.02760	2.9
146.81921	2.0
161.04436	1.8
163.11235	13.7
181.12335	3.4
187.88702	2.1
189.09058	2.4
207.10254	76.7
208.10602	6.9
225.11304	29.5
226.11542	2.7
235.08365	4.0
253.09209	17.2
277.21710	67.5
278.22049	6.6
443.19241	5.2
449.29831	1.9
461.20233	9.6
608.15192	2.3
721.41730	29.0
722.42200	4.4
781.40155	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.1
61.98828	9.4
68.51714	1.0
68.99574	3.7
71.01375	4.2
71.05019	1.3
71.51162	1.3
72.44906	0.9
74.01707	1.0
78.95898	1.8
85.02943	1.5
87.00888	1.1
91.47745	0.9
96.95991	1.1
97.02959	3.1
99.00862	8.0
101.02428	3.1
109.06628	1.3
109.40384	1.0
112.98552	3.5
113.02414	1.3
116.20582	0.9
123.08173	1.0
125.09688	1.6
127.07601	1.1
127.10902	1.0
142.02728	1.5
152.99661	1.1
161.04547	1.0
163.11279	5.2
181.12334	7.7
190.57037	1.1
207.10236	29.1
208.10526	1.4
225.11307	54.9
226.11766	1.6
227.13042	1.0
232.26390	1.1
235.08133	2.3
243.12456	5.4
253.09256	4.4
277.21710	100.0
278.22040	9.3
322.56924	1.2
332.98825	1.0
357.53351	0.9
419.16098	1.0
442.12177	1.0
443.19077	4.1
461.20117	5.9
497.66064	1.2
721.41577	18.9
722.41797	4.5
781.40363	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	781.442
Annotation	lugdunin
Peak:m/z	Relative Intensity
54.34765	2.5
61.98835	20.1
71.01360	5.9
71.50476	3.6
78.95885	4.3
78.98589	8.3
79.95734	15.7
80.96518	85.2
85.02965	2.7
92.92891	2.3
94.98080	21.0
96.96004	2.7
99.92575	3.1
102.77461	2.4
116.92837	4.0
122.97531	5.5
134.97597	6.6
148.99101	8.6
152.98582	7.4
156.20401	2.3
164.98627	13.6
206.99699	3.1
225.00688	13.1
293.84167	2.3
781.43903	100.0
782.44482	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
59.71845	0.1
61.98829	100.0
62.92949	0.1
62.98522	0.2
78.95927	0.1
80.96502	0.2
98.20783	0.2
110.84636	0.1
169.85680	0.1
211.50491	0.1
223.13359	0.5
224.13690	0.2
225.14058	0.1
230.74429	0.1
277.21826	0.3
278.22089	0.2
349.06543	0.1
409.06702	0.1
643.51746	0.1
643.81665	0.1
735.60406	0.1
782.26898	0.1
782.41888	0.4
783.41925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40535	0.6
56.49136	0.5
59.01359	0.9
61.98818	2.1
66.03487	0.8
71.02484	0.8
71.50716	1.1
80.05023	0.7
80.60014	0.6
82.06621	3.0
83.11812	0.6
87.05711	5.7
94.06589	0.6
94.90361	0.6
95.02483	0.6
96.95978	1.4
97.04039	1.2
98.02483	1.0
98.95623	0.6
112.07655	2.5
113.03573	0.9
116.92887	1.0
118.06607	1.5
118.96026	0.6
121.04066	2.3
123.09320	0.9
127.08792	0.8
129.10339	19.9
130.08734	2.6
130.10687	0.8
139.08762	4.4
140.07130	2.8
145.06810	0.7
146.06110	2.2
148.07668	0.8
153.10306	1.6
155.08266	5.2
155.11867	1.4
163.08754	0.8
164.09531	3.7
165.10341	5.6
167.08305	1.1
174.05556	0.7
180.11382	1.3
182.13028	3.4
183.11319	2.0
195.15028	1.2
197.16614	3.9
198.07936	0.7
200.14044	5.1
207.14993	16.7
208.10854	0.7
208.13492	0.7
208.15309	1.9
214.12370	1.2
216.13943	1.0
219.46107	0.6
224.17686	9.5
225.16107	4.0
229.13669	0.7
241.13455	2.3
242.11815	2.2
242.18712	14.1
243.19064	0.9
252.20917	0.9
259.14407	4.3
267.14496	1.2
268.16876	0.8
269.21106	2.0
276.17178	0.9
295.21332	7.8
312.17114	2.8
313.22421	3.5
329.19788	1.5
330.18100	1.0
337.26001	8.9
338.26419	1.0
347.20877	0.8
355.27103	3.0
371.24689	1.0
468.35312	1.1
539.39185	5.7
540.39673	1.3
555.74530	0.6
556.35413	1.4
573.37793	5.5
574.37482	1.1
615.42407	2.9
782.51831	100.0
783.52118	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	783.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.51909	0.8
69.40718	6.8
71.01377	4.6
85.02937	1.1
89.02438	4.3
95.01324	1.0
96.69824	1.0
99.04514	3.1
101.02438	2.7
103.00371	1.1
111.04568	0.9
113.02438	3.6
119.03465	2.4
123.04507	0.9
150.06844	1.7
161.04517	1.5
161.13350	29.5
161.79094	0.9
162.13710	1.3
174.19547	0.9
179.05586	1.8
187.11256	4.5
205.12306	53.8
206.12663	3.8
207.10246	0.9
229.12143	1.5
231.10335	1.3
249.11282	31.4
250.11737	2.5
267.12344	2.4
273.11353	1.3
291.12457	1.2
309.13428	4.3
367.17575	16.7
393.15665	3.0
411.16592	2.5
429.09744	0.9
499.19989	1.0
517.20721	48.2
518.21130	8.3
533.23755	2.6
568.34521	1.0
577.22845	42.5
578.23322	7.5
738.87750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01728	1.6
61.98823	2.7
69.75987	4.6
71.01371	4.4
85.50964	0.9
87.19687	0.9
89.02433	5.2
90.68720	1.1
95.01405	1.1
95.05038	1.0
99.04486	2.7
101.02466	4.2
103.00381	1.7
113.02428	3.1
116.47137	0.8
119.03499	3.0
121.03011	1.9
123.04541	2.1
134.16740	0.9
150.06819	1.4
153.05521	1.4
161.12003	1.5
161.13356	28.2
162.13680	2.3
179.05620	1.8
185.13228	1.1
187.11305	4.2
205.12325	58.4
206.12630	3.4
207.10234	1.3
209.13234	1.0
229.12323	1.6
247.13547	1.1
249.11308	35.6
250.11652	3.4
267.12332	1.1
273.11469	4.6
291.12326	1.6
291.59555	0.8
309.13431	5.1
367.17603	19.2
368.17926	2.0
393.15436	2.3
411.16464	2.4
517.20740	52.5
518.21185	8.7
533.23694	3.0
535.21753	2.4
577.22925	33.7
578.23083	6.7
641.71283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.5
59.01380	75.5
61.98837	3.8
71.01384	11.2
71.05015	1.0
72.45944	0.7
72.99293	1.1
73.02946	4.5
75.00876	2.1
83.01388	1.5
83.05042	1.4
85.02960	5.8
87.00883	1.8
89.02441	4.9
95.01389	1.4
97.06589	1.0
99.00866	1.3
99.92570	2.3
101.02450	7.0
107.05015	1.1
113.02452	6.6
115.00350	1.7
116.92863	33.7
117.01877	1.2
117.92864	1.5
119.03529	2.6
119.04987	1.5
120.05828	1.2
123.04540	2.5
127.07643	0.9
129.05687	0.7
131.03456	1.1
135.11798	2.1
143.03461	0.9
145.10246	1.1
153.05600	3.8
161.04533	7.1
161.09698	3.3
161.13353	10.9
163.04016	1.2
163.11293	4.4
179.05550	0.9
187.11267	1.7
189.09244	1.5
205.12331	16.5
206.12569	1.5
207.10236	7.1
221.06706	6.4
223.13393	19.5
224.13686	1.7
249.11232	3.5
267.12384	14.4
285.03946	0.9
309.13614	1.2
367.17535	2.7
409.18643	1.3
411.16623	1.1
429.17688	0.9
439.15991	1.2
517.20673	2.0
535.21838	100.0
536.22150	18.6
577.22961	3.7
603.20984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03436	3.0
59.01379	100.0
60.01714	1.2
61.98820	4.2
71.01380	15.4
72.99326	1.0
73.02945	4.6
75.09589	0.8
82.68532	0.7
83.01395	4.5
83.05022	1.2
84.35032	0.8
85.02960	6.0
87.00871	1.9
88.98801	1.5
89.02458	5.4
95.01402	1.5
95.05002	0.9
97.02920	1.1
97.06564	0.9
99.00863	4.3
99.08171	4.3
100.45298	0.7
101.02439	10.1
106.14857	0.7
107.05024	3.1
110.15144	0.7
113.02464	8.1
115.00329	0.8
119.03480	2.6
119.05019	2.5
119.30135	0.7
123.04522	14.9
125.34693	0.7
127.00365	1.7
127.07641	7.5
129.05569	5.1
135.04492	1.2
138.98044	0.7
143.03514	0.9
149.04559	0.9
152.04778	0.8
152.28802	0.7
153.05559	6.4
156.22110	0.7
159.02936	0.9
161.04559	10.1
161.09691	2.8
161.13350	18.1
162.13687	0.8
163.03967	3.4
163.11272	1.0
165.05675	1.0
171.06631	1.5
182.41164	0.7
187.09875	0.9
187.11288	6.4
189.07747	1.0
203.10805	1.2
204.92233	0.8
205.12323	14.1
207.10312	1.9
217.45836	0.8
219.05104	1.4
221.06645	25.4
222.06821	0.9
223.13380	22.3
224.13632	1.3
229.12207	2.7
249.11235	6.7
265.14343	1.8
267.12372	41.5
268.12616	2.7
291.12454	1.4
309.13406	7.5
329.13876	0.9
351.14252	0.9
371.09680	4.3
429.17664	23.6
430.17975	1.7
453.17548	1.3
457.17432	3.6
471.18781	1.2
480.32251	0.9
497.16623	1.1
515.17645	3.0
517.20490	1.7
535.21954	1.6
577.22839	12.3
578.23309	2.6
621.21570	2.5
744.79370	1.0
762.67773	0.8
783.27258	6.4
784.27423	1.0
796.90424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72958	0.7
57.03450	2.7
58.00602	0.7
59.01378	100.0
60.01707	1.1
61.98831	4.8
69.03443	0.7
71.01377	14.7
71.50822	1.1
73.02958	4.2
75.00865	1.4
76.66076	0.8
79.61578	0.7
80.24286	0.8
81.07098	0.9
83.01374	3.6
85.02949	6.5
86.49080	0.7
87.00864	3.5
88.98840	1.1
89.02448	5.7
89.21228	0.7
89.96577	0.6
93.03467	1.4
95.01378	1.7
95.05003	1.3
97.02987	1.4
97.06615	1.0
99.00900	3.2
99.08163	4.1
101.02441	10.4
103.39416	0.8
107.05040	3.1
111.00964	0.7
113.02447	6.7
115.00401	0.9
115.04042	0.8
119.03516	1.1
119.05046	2.9
121.03014	1.0
123.04527	16.9
125.02431	0.8
127.00378	1.3
127.07670	6.2
129.05591	6.0
135.04530	1.4
143.03497	0.8
147.78075	0.7
153.05594	6.8
161.04555	9.8
161.05884	0.9
161.09743	2.7
161.13361	18.8
161.14630	1.3
162.13638	0.9
162.74710	0.7
163.04057	4.2
165.05621	1.3
171.06715	0.9
179.05711	1.4
187.11269	5.1
188.11737	0.9
189.09308	1.1
205.12334	15.2
206.12776	1.0
207.10287	1.4
219.05104	1.6
221.06656	23.7
221.08769	1.5
223.13387	21.3
224.13889	1.4
229.12318	1.1
247.13368	0.8
249.11320	7.0
267.12363	39.1
268.12729	2.7
285.10004	0.8
291.12418	1.0
309.13443	7.5
329.13980	1.8
343.10522	0.9
369.15829	0.8
371.09735	4.2
395.09933	1.2
411.16656	1.3
429.17657	20.3
430.18192	2.6
439.16196	1.3
449.14337	0.8
457.17200	3.5
471.18817	1.5
497.16617	1.1
503.34802	0.9
515.18164	2.1
517.21106	2.2
535.21857	2.1
577.22717	16.2
577.30957	1.0
578.23578	2.9
583.66376	0.9
603.21503	1.0
610.58411	0.9
619.21960	0.8
621.21808	2.0
783.26941	7.8
784.28131	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	783.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91870	0.4
59.01381	2.5
61.98824	3.0
62.49378	0.3
70.37089	0.4
71.50670	0.5
72.00891	0.6
72.99303	7.8
74.02480	0.7
75.00868	4.7
87.00845	0.7
103.00362	1.5
104.03533	2.3
105.01933	100.0
106.02274	1.5
108.36588	0.3
113.29530	0.4
137.21509	0.4
149.93819	0.4
152.67528	0.3
175.93755	0.3
192.12538	0.4
327.36508	0.4
397.13519	0.4
783.40631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
61.12844	1.1
61.98830	17.9
71.01370	3.5
71.50875	1.3
89.02430	3.2
97.40781	1.1
101.02437	2.3
103.00401	1.7
136.85939	1.1
161.04585	1.7
183.13872	5.2
193.12393	1.4
195.13887	4.4
195.93188	1.1
209.11836	9.7
211.13385	100.0
212.13724	5.3
223.13408	3.9
235.08159	3.6
253.09258	12.2
255.06638	1.8
256.52838	1.3
275.20224	5.6
277.21762	7.2
293.21228	64.3
294.21561	7.9
318.47601	1.3
447.22433	7.5
474.80490	1.4
487.33609	1.8
510.88693	1.1
529.29620	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	783.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68671	1.3
59.01388	8.8
61.98816	8.2
69.91423	6.8
71.01379	2.4
80.96495	2.6
81.03458	2.1
83.04993	2.0
89.02404	1.5
98.99028	1.3
101.02422	3.1
104.49641	1.3
104.79189	1.4
104.79965	1.2
118.55857	1.4
122.97532	1.3
199.13257	1.5
209.11813	70.7
210.12184	3.9
227.12852	11.1
235.08167	6.0
253.09233	6.6
277.21710	100.0
278.21988	10.5
368.94778	1.6
513.30383	1.6
783.41876	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	784.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
60.91282	0.2
61.90523	0.1
61.98827	100.0
62.98535	0.2
68.99564	0.2
71.01408	0.2
71.50784	0.2
78.98553	0.2
79.95739	0.3
80.96512	2.2
93.73267	0.1
94.98100	0.3
95.07482	0.1
99.92605	0.3
110.01337	0.2
112.98587	0.2
116.92846	2.6
123.44857	0.1
134.22772	0.1
134.97548	0.2
152.98627	0.2
164.98593	0.3
165.40437	0.2
200.18185	0.1
201.42009	0.1
209.11830	0.4
225.00847	0.4
227.12769	0.2
277.21759	0.7
278.22162	0.4
279.23260	0.4
295.22797	0.4
324.30389	0.2
436.47665	0.2
476.63782	0.2
784.42242	2.5
785.42719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.6
61.98827	100.0
62.12028	1.4
63.90396	1.5
71.01376	3.0
71.51008	2.6
78.95906	1.6
80.96482	2.1
89.02458	2.2
101.02464	3.1
106.07800	1.3
113.02497	1.8
116.92831	1.6
120.00883	1.5
152.99565	2.0
180.31790	1.4
183.13808	4.0
185.11804	36.9
189.84065	1.5
209.11766	2.5
211.13399	57.4
212.13794	3.4
235.08313	1.6
253.09236	5.7
258.56039	1.7
277.21701	58.2
278.22037	6.4
279.23151	2.6
317.91422	1.6
318.52402	1.8
443.34543	1.9
447.22205	5.9
522.34308	1.5
554.45636	1.8
785.41113	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	785.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01369	1.3
59.19231	0.2
61.98537	0.3
61.98827	4.2
71.50963	0.2
71.51321	0.2
73.07056	0.2
73.38943	0.2
97.06583	0.2
99.08141	0.3
105.60812	0.2
113.09726	1.4
114.23099	0.2
177.12833	0.4
179.14412	0.8
181.12384	0.3
195.13882	14.3
196.14194	0.9
224.73010	0.2
233.22711	0.3
251.23621	0.2
253.09137	0.3
253.21698	2.6
254.22047	0.3
277.21695	12.5
278.22031	1.2
295.22754	100.0
296.23099	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	786.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
65.24234	0.3
65.28275	0.3
71.01376	2.7
71.50502	0.3
71.50858	0.4
77.86280	0.3
81.07093	0.8
83.05029	0.5
85.02956	0.7
86.76531	0.3
87.00850	0.4
89.02432	0.8
95.05008	0.9
101.02438	1.1
109.06568	1.4
109.36499	0.3
110.02478	1.8
112.04044	5.6
122.06102	1.0
123.04515	11.9
124.04035	4.0
124.04855	0.7
125.06100	0.3
127.07649	7.8
138.03224	2.0
140.07135	1.6
149.02458	0.4
151.02734	0.3
153.04311	0.6
153.05566	12.1
154.04953	0.3
166.05077	100.0
167.05457	3.5
171.06622	3.7
179.05634	0.6
184.06123	7.0
184.07660	0.5
208.06134	2.7
226.07095	0.3
233.85597	0.3
283.13388	0.5
285.09885	0.4
328.10303	5.8
439.16501	1.4
439.21704	0.3
452.15570	29.6
453.15793	3.4
518.26300	0.5
606.21857	4.8
607.22546	0.8
764.43323	0.3
786.29279	1.3
787.29321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00589	0.9
59.01377	18.9
59.40412	0.5
61.98832	3.2
71.01382	13.7
71.50452	0.4
71.50826	0.5
72.99295	1.7
73.02936	1.1
75.00872	0.9
81.07119	0.9
83.01382	1.5
83.05025	0.9
85.02963	2.6
87.00874	1.2
88.98815	0.7
89.02442	13.6
91.02962	0.5
93.03465	0.6
95.01406	1.1
95.05022	1.9
96.96030	0.7
99.08157	0.6
100.20621	0.5
101.02434	6.6
109.06576	3.2
110.02476	0.9
112.04047	6.5
113.02461	5.4
115.00345	0.7
119.03516	4.8
119.05041	1.0
121.02947	1.1
122.06085	0.5
123.04526	19.4
123.11844	0.6
124.04038	5.1
124.04821	0.6
125.02438	1.4
127.07652	11.7
138.03244	4.0
140.07158	1.4
143.03508	1.3
149.04486	0.6
151.00443	0.6
152.01205	0.5
153.05573	55.0
154.05914	2.1
158.26439	0.5
161.04538	2.6
163.03998	1.4
166.05086	100.0
167.05484	4.1
171.05174	0.7
171.06607	6.7
179.05605	7.1
184.06133	9.8
208.06187	2.1
226.07143	1.3
227.03493	0.9
249.11429	0.7
255.02910	1.3
256.08237	0.6
262.56433	0.5
284.02979	1.2
285.03967	2.7
286.04462	1.5
286.09259	0.8
315.40897	0.5
328.10297	6.6
331.06641	0.7
351.12943	1.6
428.09625	0.5
439.10001	1.0
439.16043	18.1
440.16617	2.6
452.15573	26.2
453.15768	2.3
475.21573	0.7
607.22614	0.7
624.14276	2.5
707.94983	0.5
786.28619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98827	100.0
63.99263	0.2
68.05076	0.1
70.98931	0.3
71.01418	0.2
72.98831	0.1
74.70321	0.1
80.96535	0.2
99.45056	0.2
103.00402	0.2
105.01939	0.9
116.92928	0.2
209.11772	0.2
210.12086	0.2
229.14450	0.4
277.21814	0.6
278.22067	0.3
279.23053	0.2
589.56195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
60.25309	0.2
61.98827	100.0
63.99244	0.2
68.99573	0.2
70.00730	0.2
70.01064	0.9
71.01421	0.2
78.95914	0.2
80.96531	0.5
98.20574	0.3
116.92892	0.4
133.54013	0.2
171.20221	0.2
209.11903	0.4
210.12210	0.2
217.81827	0.2
277.21817	0.6
278.22098	0.4
279.23199	0.2
364.96796	0.2
446.78204	0.2
501.13016	0.2
615.50928	0.2
635.21167	0.2
782.22321	0.2
786.40875	0.2
787.39355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98829	100.0
62.98558	0.2
70.06533	0.3
73.97579	0.1
76.57870	0.1
78.95908	0.2
79.69533	0.1
80.96518	0.2
90.31248	0.1
116.40666	0.1
255.23279	0.1
277.21744	0.3
415.12054	0.2
694.21277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
59.79586	0.1
61.98828	100.0
62.98544	0.1
63.67700	0.1
80.56851	0.1
80.96542	0.1
117.05983	0.1
118.02776	0.1
139.68182	0.1
277.21738	0.2
477.62457	0.1
671.50989	0.1
765.54254	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98826	100.0
62.98530	0.1
77.04690	0.1
78.95914	0.2
89.53215	0.1
105.01940	0.4
122.88235	0.1
169.22252	0.1
182.04884	0.1
183.01338	0.1
209.11797	0.2
234.76778	0.1
277.21719	0.3
293.01645	0.1
300.02734	0.2
311.16843	0.3
630.02625	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98830	0.9
63.02402	1.0
65.00334	2.3
67.79709	0.6
68.58250	0.5
70.19676	2.7
71.01401	0.9
83.01395	1.4
89.02438	1.1
93.03477	1.3
96.95965	0.6
101.02416	0.8
107.01414	4.0
109.02959	1.1
115.00384	0.5
119.05000	1.4
121.02960	3.4
125.02458	0.6
133.02927	0.7
135.00917	0.7
137.02469	0.8
148.01654	1.2
149.02435	0.9
151.00374	22.4
152.00755	0.7
163.00339	0.6
163.04031	1.3
164.01151	0.7
175.00359	4.3
178.99876	2.9
187.04002	1.1
199.03938	1.5
215.03548	1.2
216.84818	0.6
226.02769	1.0
227.03534	2.6
243.02965	2.6
255.02937	1.8
264.56351	0.6
271.02478	37.7
272.02945	3.0
273.04147	0.6
285.03998	0.7
292.27621	0.6
299.01965	69.1
300.02682	27.9
301.03525	100.0
302.03882	8.9
313.03448	1.7
343.04459	3.1
431.33124	0.6
462.01752	1.3
462.08017	16.3
463.08817	84.1
464.09097	9.9
586.99921	0.6
625.14099	95.7
626.14514	16.3
762.97455	0.7
787.19788	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	787.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
58.10259	0.4
59.01375	6.7
61.98825	100.0
62.34714	0.5
63.16293	0.4
68.99586	0.7
69.03445	0.6
71.01382	6.4
72.99292	0.4
73.02950	1.9
75.00890	1.0
80.01923	0.4
81.03465	0.6
83.01378	1.7
85.02938	4.6
87.00861	0.6
88.98764	0.6
89.02428	2.9
93.03460	0.8
95.01383	1.9
96.96016	1.1
97.02962	1.0
97.95358	0.4
99.00857	0.8
99.08142	2.3
101.02449	4.4
107.01427	0.4
108.02164	44.6
109.02961	17.5
112.98549	0.6
113.02426	3.6
116.92850	1.3
117.01957	0.5
119.03517	0.7
119.05025	1.1
121.02932	1.6
123.00922	1.1
123.04525	4.6
124.01665	0.9
125.02436	2.1
127.07663	2.9
129.05547	3.1
132.02068	0.4
133.02940	1.4
135.00858	2.0
135.04466	0.8
137.52666	0.4
143.03450	0.5
149.02444	0.6
149.99565	1.0
150.18205	0.4
151.00258	0.5
151.04004	1.9
152.01137	48.5
153.01924	21.2
153.05547	4.3
154.02304	0.7
161.04552	1.3
163.04024	2.5
165.01912	1.8
168.00645	1.0
171.06621	0.5
176.01115	0.6
177.01904	18.4
178.02292	0.5
179.03441	0.7
179.05673	0.8
189.07690	1.0
191.03627	0.5
226.06300	2.7
227.07086	0.8
236.56766	0.4
241.08705	1.4
256.07224	0.6
271.09747	1.0
315.07187	65.3
316.07550	3.9
323.09723	3.8
329.16168	0.8
339.07135	30.4
340.07523	2.5
347.16968	1.3
383.06134	30.0
384.06439	2.5
401.07187	6.2
447.15210	3.2
457.11310	0.7
519.22839	0.6
619.22339	9.5
704.01965	0.5
787.20557	3.3
787.33093	2.1
787.44757	0.9
788.21283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.63694	0.1
97.35972	0.1
99.08160	0.2
118.21082	0.1
119.70547	0.1
123.04546	0.2
129.05600	0.2
140.18488	0.1
157.54156	0.1
164.71571	0.1
270.14828	0.1
301.78537	0.1
368.42548	0.1
457.17358	0.4
546.21753	0.1
581.86279	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87162	0.1
61.98826	100.0
62.98553	0.2
64.06557	0.1
69.41142	0.9
69.41459	0.2
93.79897	0.1
98.20639	0.2
99.08207	0.1
118.28300	0.1
119.47340	0.1
123.04528	0.2
149.26974	0.1
197.83801	0.1
216.73366	0.1
277.80273	0.1
457.17279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98829	100.0
71.01385	1.5
82.95408	1.9
84.00906	0.4
84.95137	0.7
85.02953	0.4
87.00883	0.2
89.02432	2.3
95.01418	0.2
99.08197	0.2
101.02435	0.8
113.02428	0.9
119.03497	0.9
119.05034	0.3
123.04555	0.4
127.07656	0.6
129.05606	0.5
153.05565	3.0
161.04550	0.5
163.04012	0.5
166.77124	0.2
171.06647	0.2
179.05595	4.0
180.05965	0.2
231.01266	0.2
283.39935	0.2
285.56284	0.2
294.20889	0.2
399.32132	0.2
435.18524	0.9
439.16156	0.3
608.24005	0.3
619.22418	2.7
620.23102	0.4
632.70752	0.2
727.67529	0.2
788.30499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98825	100.0
62.98542	0.2
68.18933	0.1
71.07911	0.3
78.95917	0.2
79.57796	0.1
80.96501	0.3
111.63830	0.2
117.12476	0.1
131.69342	0.1
132.49112	0.1
178.02866	0.2
263.01462	0.2
277.21701	0.2
278.22314	0.2
481.51471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
59.01379	23.0
61.98833	5.1
69.51820	2.5
71.01386	3.2
73.02946	2.3
83.01371	0.6
83.05016	0.8
85.02950	1.6
89.02444	1.4
99.08155	26.4
99.72662	0.4
100.08450	0.5
100.49218	0.4
101.02441	1.9
101.06092	1.9
109.06608	1.0
110.00138	0.5
113.02430	1.7
123.04534	2.6
125.06090	0.5
127.07652	39.8
128.07988	1.5
129.05579	77.6
130.05920	3.1
138.03284	0.6
150.24948	0.5
153.05577	28.8
154.05919	1.4
161.04541	1.5
171.06650	6.0
189.26372	0.5
221.06697	0.4
263.11438	0.9
305.12451	3.1
417.17798	2.2
426.59982	0.5
435.18661	12.4
436.18970	1.2
456.89081	0.4
459.18738	3.9
460.19128	0.5
477.19748	100.0
478.20056	12.5
574.32904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98539	0.2
66.49678	0.2
70.84230	0.4
75.66204	0.1
79.02813	0.1
146.16533	0.2
168.69215	0.1
438.06927	0.2
453.79422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	81.1
61.98822	3.1
71.01381	58.7
71.01776	3.3
72.99324	2.2
73.02941	100.0
81.03459	2.7
83.01384	23.1
85.02946	3.5
87.00848	3.0
97.02934	3.5
98.20700	7.7
101.02428	47.3
102.02827	2.5
103.05524	2.9
111.00828	1.9
113.02448	9.3
115.00351	2.5
115.05518	6.8
117.03468	5.8
119.04967	3.7
125.02425	6.0
125.19188	2.0
129.05473	2.9
131.05022	15.1
133.06587	14.1
143.03505	9.0
145.06624	3.1
147.04514	95.3
148.04884	4.6
155.03551	5.2
161.04543	6.8
161.06067	39.5
173.40051	2.0
189.05544	49.8
190.05942	3.8
203.05563	10.9
212.41516	2.1
218.14728	1.9
219.06572	3.9
229.84990	2.4
274.81039	2.0
347.97699	2.4
381.75134	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	791.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98822	0.2
64.68275	0.1
68.84184	0.1
68.99792	0.1
69.03481	0.2
69.18313	0.6
69.18746	0.9
71.01384	1.6
73.02940	1.8
77.03983	0.2
79.05531	0.5
81.03454	0.2
81.07097	3.5
83.01384	0.5
83.05028	1.6
85.02939	0.3
86.63967	0.2
93.03458	0.7
94.04224	0.7
94.75141	0.1
95.05022	1.0
101.02436	1.1
105.03455	0.3
109.06590	5.7
110.06903	0.2
113.02457	0.5
115.05508	0.2
121.02943	0.4
123.04523	19.1
124.04841	0.8
125.02470	0.2
125.06074	0.5
126.92979	0.1
127.07652	12.8
128.07983	0.4
131.05029	0.4
133.06616	0.4
138.03224	7.6
139.03554	0.2
143.03511	0.2
147.04538	1.9
149.02394	0.2
149.48961	0.2
153.05571	100.0
154.05910	4.1
161.04555	0.7
161.06079	1.1
171.06622	12.1
172.06964	0.7
187.11226	0.3
189.05597	0.9
203.05629	0.3
285.09839	0.4
380.17911	0.2
439.16080	36.1
440.16364	4.2
612.90460	0.2
791.27429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68971	0.9
57.03442	2.1
58.00586	3.2
59.01377	65.4
60.01721	1.1
61.98830	21.7
62.50588	0.9
71.01380	42.9
72.99316	2.0
73.02924	1.9
80.82033	1.1
83.01384	1.8
85.02962	7.9
87.00873	3.3
89.02443	53.5
95.01387	3.7
99.08151	8.6
101.02445	19.5
109.06572	3.4
113.02450	16.3
115.16187	1.0
119.03502	22.7
123.04523	38.5
127.07648	46.5
128.07957	1.7
129.05588	16.5
130.05901	0.9
131.03499	2.7
135.08134	1.7
138.03226	4.8
143.03459	6.0
149.04553	2.1
153.05571	100.0
154.05890	3.8
161.04561	10.8
171.06619	15.4
179.05597	55.6
180.05931	1.6
285.09814	9.9
333.11951	2.1
351.12952	9.5
390.10846	1.2
439.16113	15.0
440.16690	2.1
457.17105	19.7
458.17288	2.8
487.26080	1.4
619.22327	25.0
620.22754	3.5
661.25116	1.1
791.29608	10.2
791.43384	1.8
792.30426	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	791.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.00578	2.4
59.01375	66.4
60.01685	0.6
61.98824	2.8
66.71365	0.5
70.14901	1.5
71.01379	45.0
72.99319	3.0
73.02940	2.5
81.07082	2.6
83.01389	1.5
83.05025	1.5
85.02948	6.2
87.00858	3.0
89.02440	61.8
90.02779	0.7
93.03464	0.5
94.04255	1.1
94.88537	0.5
95.01400	2.3
95.03946	0.5
95.05044	1.3
99.08155	4.4
101.02435	21.6
107.03482	0.7
109.06588	6.4
113.02439	17.9
114.02757	0.6
119.03488	22.5
123.04520	20.0
127.07645	34.9
128.07994	0.9
129.05576	25.1
130.05888	0.8
131.03476	2.8
138.03220	7.7
143.03488	6.3
149.04526	2.3
153.05565	100.0
154.05919	3.8
161.04530	10.1
162.04878	0.5
171.06616	15.1
172.06905	0.6
179.05595	54.9
180.05920	2.0
189.07671	4.3
258.67853	0.5
263.68094	0.5
285.09781	0.7
291.10815	7.2
333.11826	0.8
351.12921	96.9
352.13278	7.3
403.40491	0.7
439.16037	42.9
440.16379	5.7
457.16965	2.9
562.34247	0.6
619.22430	8.6
620.22522	1.1
637.34729	0.7
791.28888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27588	0.3
57.03447	1.7
58.30085	0.4
59.01379	4.3
61.98831	13.0
63.99238	0.7
64.37582	0.3
66.88404	0.3
69.33480	2.7
71.01379	3.3
73.02944	0.9
79.05539	0.4
80.20945	0.3
81.07088	2.7
83.05022	1.3
85.02943	1.4
86.24558	0.3
87.00887	0.5
89.02443	2.0
93.03439	0.5
94.04234	0.3
95.05002	0.6
99.08157	3.8
101.02414	1.6
104.67049	0.3
105.03455	0.7
109.06574	5.1
113.02448	1.6
119.03487	1.0
119.05007	0.4
121.02953	0.6
122.06080	0.6
123.04520	33.3
124.04868	1.1
125.02444	0.3
125.06103	0.5
127.07648	28.7
128.07964	0.9
129.05579	11.4
130.05952	0.5
138.03238	6.1
138.04251	0.3
143.03438	0.4
149.02512	0.5
152.07202	0.4
153.05569	100.0
154.05911	4.2
161.04524	2.0
165.05484	0.4
168.83282	0.3
171.06615	15.4
172.06950	0.6
179.05620	1.3
189.07721	0.8
285.09799	4.4
292.24240	0.4
351.13095	0.6
361.18585	0.6
439.16074	42.0
440.16382	4.2
457.17139	11.0
458.17572	1.1
479.21274	0.9
481.17218	4.1
482.17740	0.4
487.18640	0.5
611.23309	1.9
612.23273	0.4
619.22363	11.2
620.23071	2.4
661.23431	0.8
675.27069	0.4
752.56561	0.4
791.29651	5.8
792.29047	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	791.435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.51136	9.4
78.25083	6.6
80.96500	7.0
152.68431	6.7
159.65276	7.7
209.11766	26.8
227.12744	10.6
253.09196	6.7
277.21735	30.2
347.22916	7.3
573.24280	9.0
605.15588	7.9
791.44049	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	793.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85511	0.2
59.01372	0.3
60.99303	18.8
61.98801	0.2
69.48911	1.2
71.01374	0.2
83.10245	0.1
87.00866	0.4
88.00392	0.2
88.98801	100.0
89.02414	0.9
89.99140	1.2
99.08138	0.3
115.06345	0.2
126.50455	0.1
127.07627	0.3
129.05562	0.8
134.25073	0.2
153.05540	0.4
225.39276	0.2
236.64360	0.2
401.98828	0.1
435.18726	1.7
436.19180	0.4
488.14221	0.2
553.71106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.60575	0.1
61.98831	1.5
71.01365	0.3
71.50764	0.1
72.00890	0.2
73.02943	4.9
74.03297	0.1
75.00863	0.4
79.95772	0.2
80.96514	0.3
87.00875	0.2
99.00874	1.8
99.92583	12.0
100.92597	0.6
112.98585	0.2
114.93401	0.4
116.03563	0.3
116.92861	100.0
116.97198	1.0
117.01937	10.2
117.05585	0.3
117.92876	4.8
163.82300	0.2
166.58650	0.2
229.60960	0.1
277.21677	0.3
282.20651	0.1
397.13547	0.2
793.51575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98824	1.1
70.09342	0.1
70.09674	0.6
71.01385	0.2
73.02553	0.3
73.02945	3.3
75.00860	0.3
78.95911	0.2
80.96496	0.3
91.77094	0.1
94.98121	0.1
99.00874	1.0
99.92580	11.6
100.92593	0.4
104.34834	0.2
114.93397	0.5
116.92857	100.0
116.97207	1.6
117.01931	6.6
117.92863	5.2
141.01749	0.3
266.17032	0.2
277.21570	0.3
288.60947	0.1
397.13632	0.3
641.82776	0.2
793.50757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98828	100.0
62.98538	0.2
71.01379	1.0
73.02940	0.2
75.75855	0.1
80.96519	0.2
85.02955	0.3
88.98816	0.1
89.02461	0.3
96.95970	0.2
99.00926	0.1
99.04459	0.1
99.08156	0.2
101.02453	0.5
113.02459	0.3
116.92885	0.3
119.03547	0.2
123.04512	0.7
125.02454	0.1
127.07652	0.7
129.05600	0.4
141.09206	0.2
147.04541	0.2
153.05551	0.7
158.12657	0.1
161.04642	0.2
171.06662	0.2
175.03580	0.1
211.13495	0.1
215.07091	0.2
226.05997	0.1
281.08163	0.2
364.43387	0.1
375.12332	0.2
435.90659	0.1
457.17242	0.4
458.17682	0.3
735.41150	0.2
776.45374	0.2
776.60925	0.1
793.49200	0.2
794.46448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
60.90443	0.1
61.98829	100.0
62.44218	0.1
62.98541	0.2
71.01389	0.8
73.02954	0.3
79.95734	0.1
80.96477	0.1
85.02975	0.5
89.02431	0.3
96.06287	0.1
96.96010	0.2
98.20707	0.2
99.08159	0.3
101.02457	0.5
113.02464	0.3
116.92837	0.2
119.03465	0.2
123.04498	0.7
127.07668	0.7
129.05621	0.3
132.35957	0.1
141.09247	0.1
147.04549	0.4
153.05595	0.6
158.79079	0.1
161.04619	0.3
171.06628	0.2
179.05621	0.2
206.93103	0.1
211.13417	0.2
239.80330	0.1
446.95389	0.1
457.17551	0.3
458.17590	0.3
735.39618	0.2
775.45074	0.2
776.45349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.2
59.01375	2.1
61.98827	100.0
62.52290	0.1
62.98497	0.2
69.19231	0.5
69.19653	0.6
71.01380	1.4
73.02952	0.5
83.01418	0.2
84.56551	0.1
85.02975	0.2
87.00854	0.2
88.98817	0.1
89.02451	0.4
98.19920	0.2
99.08170	0.4
101.02428	0.7
106.28125	0.1
113.02470	0.4
116.92873	0.2
119.03525	0.2
123.04503	0.8
127.07651	3.2
128.08000	0.7
129.05609	0.4
131.58731	0.1
143.03490	0.2
147.04547	0.7
148.04913	0.2
153.05574	1.4
154.05908	0.3
161.04614	0.3
161.06044	0.3
171.06627	2.9
172.06927	0.7
190.05847	0.2
191.07207	0.2
205.12398	0.2
211.10617	0.1
228.07947	0.2
243.10321	0.2
457.17484	0.4
458.17834	0.4
643.26575	0.5
644.26385	1.8
645.27319	0.2
795.43463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	3.8
59.01382	10.9
61.98833	91.9
69.43278	12.8
70.02974	12.0
71.01387	6.9
71.02501	4.1
73.04082	3.5
82.02990	5.9
87.00886	1.9
89.02444	4.2
95.02512	2.0
95.61449	1.5
96.00925	9.1
96.04552	1.7
96.96021	3.1
97.04072	1.5
97.63432	1.6
98.02505	2.5
99.01997	2.4
99.08154	3.4
101.02441	3.7
101.07154	1.6
104.02464	1.7
109.04082	5.9
110.03648	1.6
111.02046	2.6
112.07749	1.6
113.02447	3.2
113.03590	8.2
114.01975	22.6
123.04535	7.2
123.05647	5.4
124.04013	8.5
127.05141	35.6
127.07642	14.5
128.03529	9.2
129.05574	9.9
129.10335	24.5
131.04623	10.6
134.03763	7.1
135.08118	1.8
139.05040	1.7
139.08784	4.3
141.06683	6.7
145.02965	5.1
146.06140	19.9
150.05600	2.5
150.47098	1.7
151.08771	17.6
153.05597	13.4
154.08722	1.7
155.08221	9.2
157.94803	1.8
161.04530	3.2
163.03989	3.8
166.06216	30.7
167.04594	9.1
167.10590	3.0
168.11374	8.8
169.09843	2.2
171.06610	3.5
172.04352	2.6
173.07188	2.3
184.05644	3.1
184.07275	46.4
185.07532	2.6
186.12442	10.3
189.07040	2.6
193.04971	11.7
195.08096	3.6
198.06044	3.2
198.07959	3.7
210.12546	3.7
212.14137	1.7
217.09825	4.0
222.12512	4.6
223.11154	2.1
236.14153	2.6
240.13551	3.2
241.06546	6.9
241.13495	19.2
241.42093	2.2
252.13483	2.2
256.11050	1.9
258.09036	2.1
258.16113	4.1
259.14459	2.0
274.12192	3.4
276.17249	6.2
279.14575	11.0
280.13068	2.5
283.07135	2.8
297.15787	6.9
302.15143	2.5
307.08218	3.6
315.11462	5.3
315.18445	6.7
333.19382	3.2
337.09381	1.9
374.69037	1.9
387.20483	3.7
439.16010	4.2
444.22479	17.6
445.15988	3.2
445.22681	2.1
461.14566	17.4
492.24805	2.9
541.24316	9.1
555.46130	1.8
559.25629	3.8
575.26727	2.1
593.35699	2.3
603.28467	2.3
639.35699	2.4
679.31805	3.0
732.30316	15.1
733.30493	4.1
750.31323	47.7
751.31885	11.6
776.32642	11.2
777.33069	6.0
794.34326	100.0
795.35284	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	795.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.00586	4.5
59.01377	97.8
61.98829	1.4
69.92911	0.9
71.01379	59.5
71.50037	1.7
72.99303	4.9
73.02942	3.1
74.02428	0.9
75.00854	1.3
83.01373	3.3
85.02936	9.6
85.31428	1.0
87.00875	3.7
89.02440	90.5
90.02811	1.2
93.03452	1.0
95.01398	3.6
99.00893	1.9
99.08168	7.3
101.02438	34.7
102.02777	1.9
107.03486	1.2
110.76141	0.9
113.02447	27.0
113.99603	1.4
115.00395	1.7
119.03495	37.5
119.04924	2.1
120.03763	1.1
125.02436	1.7
127.07648	37.1
128.08002	1.3
129.05573	18.1
131.03493	3.9
137.02481	1.2
143.03506	8.8
149.04543	2.7
153.05565	19.1
154.05916	1.1
161.04543	13.8
163.03992	2.4
163.79765	0.9
165.73726	1.0
171.06618	10.0
179.05602	100.0
180.05923	3.0
189.07642	2.0
203.03479	4.5
217.05090	1.2
217.61325	1.0
265.12875	4.4
277.05673	9.3
278.98734	1.2
291.10950	2.4
307.13916	4.0
325.09164	2.3
333.12122	1.0
337.07693	1.4
351.12943	70.4
352.13202	5.4
383.09573	1.8
565.11829	1.1
620.70813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.5
57.96465	0.7
59.01373	9.6
61.55667	0.7
61.98831	7.8
69.03461	0.9
71.01383	9.6
73.02943	4.1
81.07072	0.9
83.01405	1.9
83.05015	1.2
85.02946	6.6
95.05032	2.4
98.20749	1.6
99.00861	1.4
99.08155	18.9
101.02441	7.9
105.03516	0.9
109.00679	0.7
109.06594	2.1
113.02454	5.2
123.04518	83.1
124.04850	3.1
125.02453	0.8
127.07648	100.0
128.07962	3.6
129.05566	21.1
129.69298	0.7
130.05936	0.9
138.03210	3.4
151.07639	4.5
153.05568	73.1
154.05879	2.7
159.02957	1.8
161.04555	9.1
171.06621	28.8
171.08096	1.5
172.06932	1.0
189.07652	3.1
269.10254	7.4
285.09805	6.9
311.11505	0.9
331.13934	12.2
337.09268	17.6
353.08710	17.4
354.09039	1.7
439.16077	2.6
457.17126	14.9
458.17365	1.9
481.17151	24.3
482.17484	3.8
499.14624	1.4
525.16217	5.6
526.16217	1.3
623.19702	4.3
795.27246	1.9
812.37811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72958	0.1
59.01380	0.3
61.98823	0.6
70.51715	0.4
73.02941	3.9
74.01543	0.1
74.03303	0.1
75.00873	0.3
87.00858	0.1
99.00871	1.1
99.92580	11.9
100.92591	0.6
112.98572	0.1
114.93404	0.4
115.00402	0.3
116.92856	100.0
116.97167	0.8
117.01929	6.7
117.05587	0.2
117.92866	5.1
118.02299	0.1
132.51558	0.1
139.69603	0.1
166.82283	0.1
397.13272	0.2
727.48151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
61.98823	10.2
71.01368	1.7
75.67548	0.6
96.55193	0.5
99.00887	0.7
99.08150	6.6
99.92578	21.1
100.92598	1.5
100.93360	3.6
115.92070	100.0
116.92069	4.3
116.92859	11.0
123.04520	3.3
127.07612	1.3
129.05606	2.1
132.92361	0.7
142.94423	1.7
153.05585	1.0
168.95979	1.8
170.93906	2.6
184.95473	0.7
200.31596	0.6
221.87387	0.6
226.96664	0.7
255.23317	2.6
303.19226	0.6
358.85776	0.6
371.15240	1.5
374.67386	0.6
483.20547	14.7
484.20685	2.3
515.19672	1.2
539.52594	0.6
607.25623	2.4
608.25879	0.8
695.40027	0.8
715.31586	11.9
716.31873	3.7
733.32599	10.8
734.32910	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	795.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12191	1.3
57.03444	5.8
58.00587	2.0
59.01376	38.1
59.18736	1.4
61.98828	26.1
62.81559	1.3
69.03464	1.6
71.01381	71.2
71.50268	2.9
72.99311	4.4
73.02944	21.3
83.01379	12.6
84.02110	1.5
85.02950	28.5
87.00874	3.1
88.98833	2.5
89.02451	15.2
95.01368	4.1
95.74469	1.4
96.96020	2.3
97.03011	1.5
98.02645	1.4
99.00882	8.2
99.01444	1.4
101.02445	53.1
102.02875	1.5
105.01896	2.7
113.02454	27.5
116.92838	3.2
119.03493	5.8
123.04514	5.2
125.02435	3.4
127.07638	4.4
129.05615	2.4
143.03497	2.9
147.04555	5.0
153.05605	2.5
159.02986	4.5
161.04538	24.0
161.05878	1.8
179.05579	3.3
205.77255	1.4
211.13406	2.9
217.64140	1.3
247.13268	1.5
384.92035	1.3
447.22476	1.8
457.17218	1.8
473.09985	1.6
483.25854	2.9
573.34302	14.4
574.34521	2.8
735.39575	100.0
736.40002	25.8
779.38519	1.9
795.45068	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	795.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
58.00599	1.5
59.01380	33.0
59.05674	1.0
59.34562	1.0
61.98828	21.0
62.62770	1.1
69.03450	2.4
69.16308	4.5
69.16739	5.8
69.53367	1.1
71.01380	59.9
72.99292	3.6
73.02554	1.7
73.02945	19.0
75.61389	1.0
78.95891	2.3
83.01380	9.9
85.02949	26.5
87.00864	4.6
88.98806	1.7
89.02438	12.6
95.01369	4.4
97.02930	2.4
98.20673	2.6
99.00882	6.4
101.02435	42.2
102.42443	1.1
105.01927	3.1
111.00875	2.0
113.02444	22.4
116.92867	1.6
119.03482	6.9
123.04501	3.9
125.02435	2.7
127.07612	2.7
129.01939	2.2
129.05603	2.2
135.04543	1.3
143.03448	3.1
147.04506	3.8
148.62926	1.1
153.05527	2.3
159.02974	4.3
161.04559	17.8
161.05893	2.0
171.06580	1.5
179.05553	3.3
181.04970	1.5
209.11729	1.9
211.13379	4.0
221.06573	1.8
247.39902	1.2
479.14609	1.5
483.26172	2.4
560.39453	1.1
573.34497	13.4
574.34235	2.0
735.39575	100.0
736.40002	28.0
772.92365	1.4
779.38538	3.2
795.44757	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	797.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
59.01385	1.7
61.98830	3.2
63.52784	0.4
63.91743	0.4
69.76068	0.7
69.76477	1.8
71.01376	2.8
73.02951	0.7
75.56329	0.4
83.05033	0.5
85.02950	1.7
95.05035	1.2
99.08158	34.9
100.08469	0.7
101.02444	1.6
105.03466	1.2
109.06584	1.0
113.02451	1.3
123.04525	71.9
124.04879	2.2
127.07652	45.3
128.08009	1.7
129.05580	35.0
130.05920	1.0
138.03239	1.4
149.02440	0.8
153.05569	37.7
154.05911	1.7
161.04552	3.5
171.06638	8.4
183.77655	0.4
187.47461	0.5
189.07654	2.3
232.22891	0.4
233.26938	0.4
285.09775	9.5
286.09818	0.6
439.16196	1.2
457.17133	100.0
458.17493	13.5
544.63306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10683	0.3
57.03446	6.6
59.01383	4.3
61.98824	8.2
64.90276	0.3
69.52465	1.2
69.52872	1.2
71.01378	4.6
73.02956	1.0
77.03947	0.5
78.17812	0.4
81.07089	0.5
85.02941	2.1
89.02442	1.2
93.03471	0.5
95.05023	1.7
96.96023	0.4
99.08154	34.1
100.08501	0.8
101.02437	2.3
105.03422	0.8
109.06592	1.4
113.02443	1.6
115.00348	0.8
119.05016	0.5
121.02984	0.6
121.32019	0.5
123.04518	73.6
124.04839	2.7
127.07648	46.4
128.07967	2.0
129.05574	32.3
130.05887	0.6
138.03210	1.5
144.62701	0.4
147.04553	0.4
149.02451	0.9
153.05566	37.6
154.05887	1.4
161.04506	3.9
163.04019	0.6
165.05553	1.4
171.06610	7.9
189.07614	2.2
225.60866	0.4
285.09793	10.0
286.10086	0.7
303.29651	0.4
309.09818	1.5
327.10889	0.5
393.62390	0.4
439.15958	1.0
457.17114	100.0
458.17471	13.2
458.24155	0.5
463.15961	1.2
471.15097	0.6
491.15082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98830	2.2
69.30599	0.3
69.31009	1.0
70.54689	0.1
71.01368	0.3
73.02943	2.5
73.59087	0.1
75.00881	0.3
90.31884	0.2
99.00874	0.4
99.92583	10.7
100.60889	0.1
100.92575	0.6
101.02548	0.2
107.84322	0.2
114.93408	0.5
115.00383	0.2
116.92860	100.0
116.97223	1.6
117.01937	4.0
117.05560	0.2
117.92873	5.0
277.21640	0.2
291.19540	0.2
293.21274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42383	0.3
56.47634	0.3
56.55061	0.3
59.01373	1.2
61.98825	1.5
64.20525	0.3
66.08069	0.3
71.01370	0.8
89.02437	0.9
101.02433	0.7
113.02450	0.4
122.98563	0.3
127.07570	0.4
211.03995	57.3
212.04361	3.5
239.03485	22.2
240.03838	1.3
254.05832	86.9
255.06166	6.1
269.08176	100.0
270.08511	8.4
296.01184	0.4
353.19775	0.3
501.36603	0.3
508.06036	0.4
761.92090	0.3
797.45966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.1
61.98827	0.7
71.01381	2.8
73.02959	1.0
80.37820	0.4
80.96494	1.1
81.34398	0.5
83.01395	0.5
83.34601	0.4
85.02963	0.5
87.00911	0.7
89.02441	1.9
101.02448	2.8
113.02422	1.2
119.03495	0.5
139.66869	0.4
145.05069	0.5
161.04514	1.0
183.13860	5.7
185.09000	0.4
193.12286	1.6
211.13374	95.3
212.13707	6.3
235.08241	5.1
253.09293	8.3
254.09550	0.5
277.21695	100.0
278.22061	8.6
293.55994	0.4
299.31396	0.4
339.10455	0.5
429.21255	2.4
447.22110	5.1
513.30927	2.4
707.43280	0.6
709.37512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.75552	0.9
115.93536	0.2
144.80408	0.2
152.99605	0.4
155.96803	0.2
167.49309	0.2
179.47461	0.2
230.63029	0.2
282.71768	0.3
297.45856	0.3
298.03137	0.2
354.71591	0.2
360.63721	0.2
371.74527	0.2
435.72986	0.3
610.91266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
59.01405	0.7
63.63240	0.5
71.01369	2.1
72.99309	5.6
75.00868	38.6
85.02935	1.4
95.05025	1.0
99.08154	17.4
100.08484	1.1
101.02387	0.6
109.06589	0.9
113.02457	0.7
123.04518	40.2
124.04858	1.4
127.07649	27.9
128.07979	1.1
129.05576	20.4
138.03229	0.6
142.86810	0.6
153.04311	1.2
153.05562	23.2
154.05899	1.5
161.04524	2.4
171.06619	4.4
186.66963	0.6
189.07684	1.5
229.47072	0.6
285.09763	5.4
348.04926	0.7
351.01300	0.6
457.17099	100.0
458.17490	12.7
459.17310	0.7
782.82135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
59.36921	0.1
61.98827	100.0
62.98528	0.1
63.49631	0.1
71.01405	0.2
73.72320	0.1
86.47087	0.1
100.58466	0.1
113.09750	0.1
116.92862	0.2
123.04541	0.2
129.05582	0.1
137.54071	0.1
141.09187	0.1
153.05608	0.1
167.07123	0.1
235.53918	0.1
255.02989	0.1
283.02377	0.1
328.45425	0.1
427.50290	0.1
471.18576	0.6
472.19510	0.1
513.31451	0.1
739.18945	0.1
771.29688	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98828	100.0
62.98535	0.2
69.29361	0.3
69.29777	0.5
71.01382	0.3
88.98830	0.1
89.02467	0.1
101.02459	0.1
103.75351	0.1
110.47353	0.1
113.02447	0.2
123.04530	0.4
130.38811	0.1
141.09280	0.1
153.05583	0.2
167.07173	0.1
273.06006	0.2
435.11026	0.2
471.18549	0.7
472.19614	0.1
524.36871	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.17585	1.3
69.17987	0.5
69.44900	0.2
70.85333	0.2
71.16251	0.2
72.17774	0.2
73.20933	0.2
77.78484	0.2
80.96519	0.3
86.43800	0.2
199.74562	0.2
221.40347	0.2
250.83617	0.2
311.16806	0.5
550.31091	0.2
803.39917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.2
61.98827	100.0
71.50972	0.3
78.91908	0.3
78.95910	0.2
99.61460	0.2
116.17870	0.2
144.46718	0.2
311.15924	0.2
451.99112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98544	0.2
70.05965	0.5
98.19984	0.1
176.66693	0.1
211.13412	0.2
212.13768	0.3
277.21869	0.3
278.22031	0.2
279.22165	0.1
409.85571	0.1
427.94864	0.1
583.38544	0.1
671.41217	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
59.01377	57.1
60.01704	0.8
61.98828	11.2
71.01384	4.5
71.05042	0.8
73.02950	1.1
76.13020	0.6
83.01377	1.0
83.05027	1.7
85.02958	1.7
85.22923	0.5
87.00877	2.6
89.02451	1.1
97.06588	0.7
98.19868	1.5
101.02432	2.7
109.06582	7.3
113.02454	2.3
119.03492	0.6
123.04514	3.4
125.06065	2.8
127.07584	0.9
128.37119	0.7
135.11760	0.9
150.06821	0.8
160.83995	0.7
161.04524	1.6
161.09724	2.2
161.13347	6.0
163.11285	4.9
179.14372	2.5
187.11230	1.9
189.09196	1.5
205.12320	4.4
207.10263	7.3
221.06590	1.4
223.13377	75.8
224.13728	4.4
229.22708	0.8
249.11322	3.1
267.12347	16.8
268.12744	1.3
287.22156	1.2
385.18726	7.9
386.13867	0.7
386.18942	1.2
411.16650	0.9
429.17456	1.3
449.27908	1.4
491.28479	2.8
517.20746	3.2
535.21814	100.0
536.22089	17.8
552.04980	0.6
617.84106	0.7
643.22931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01393	2.1
61.98829	100.0
64.94386	0.3
68.02885	0.3
69.45496	1.8
69.45898	0.6
71.01385	1.7
73.02943	0.5
78.95890	0.5
85.02949	0.7
87.06336	0.3
89.02441	0.5
93.19048	0.4
95.05057	0.5
98.19854	0.6
99.08157	8.8
101.02441	1.0
105.52191	0.3
109.06590	0.4
110.40205	0.3
113.02449	0.6
121.02979	1.2
123.04527	22.8
124.04848	0.8
127.06703	0.8
127.07647	14.1
128.08014	0.4
129.05580	16.3
130.05952	0.6
139.04010	4.1
153.05571	11.4
154.05936	0.5
161.04564	1.4
165.01877	0.4
171.06648	2.7
186.67624	0.3
188.66373	0.3
189.07661	6.4
195.08086	0.4
207.30653	0.3
212.74435	0.3
255.09845	0.4
285.09760	1.8
301.09363	1.0
439.16101	0.8
457.17120	45.4
458.17462	5.5
473.16586	9.1
474.16748	1.1
475.10345	0.4
567.87933	0.4
727.60315	0.4
741.25977	8.6
742.26453	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	804.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
80.96502	0.1
81.95929	0.1
126.01932	0.1
138.87964	0.1
156.75670	0.1
158.61003	0.1
161.74339	0.1
163.04068	0.2
196.07245	0.1
206.64603	0.1
209.82008	0.1
228.91901	0.1
250.08400	0.1
405.35776	0.1
587.74060	0.1
805.40985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01109	0.9
59.01374	10.0
61.98539	0.8
61.98832	10.0
66.87334	0.5
69.23567	5.7
71.01376	2.8
73.87413	0.6
81.18433	0.6
83.05018	0.6
85.02937	1.3
87.00867	1.4
88.50282	0.6
88.98795	1.1
89.02435	1.6
101.02450	1.4
113.02451	1.1
119.04999	1.2
123.04484	1.6
125.02410	1.7
127.04011	1.1
127.07635	1.2
129.05598	0.8
134.03717	0.7
137.22119	0.7
147.04472	1.2
149.99593	0.6
153.05565	1.9
161.13286	0.9
163.03973	1.1
165.05484	0.6
167.04895	0.9
168.00577	1.2
171.04462	1.0
193.04980	1.0
195.74242	0.6
197.06053	0.9
207.10211	1.2
211.04018	0.8
212.04652	1.0
213.05537	10.2
214.05988	1.0
223.03889	0.7
223.13313	2.1
224.13728	1.3
225.05473	2.0
226.06352	1.8
239.03493	1.8
240.04172	1.8
241.05038	41.8
242.05431	2.7
254.09291	0.7
255.06674	2.1
256.07382	3.3
267.12268	1.0
285.03934	1.6
423.41180	0.7
439.16177	0.7
449.14453	0.8
451.11591	1.2
465.13403	1.9
466.14166	27.3
467.14407	4.6
481.16522	100.0
482.16840	16.7
535.21838	1.8
536.22388	3.5
537.23029	4.4
539.34515	0.7
643.21661	14.1
644.03595	0.7
644.22247	2.6
805.26563	2.3
805.45093	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	805.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98830	4.0
71.50599	0.5
85.02975	0.3
101.76148	0.2
113.02398	0.3
126.90584	0.3
127.07661	0.3
132.68782	0.3
143.86475	0.2
169.06578	1.3
171.04527	0.6
171.15787	0.2
182.07375	6.6
183.07671	0.5
185.06065	1.6
196.05225	0.3
197.06194	0.3
198.06888	0.3
210.06857	30.7
211.04001	0.4
211.07179	2.7
211.13426	0.4
213.05553	8.1
214.05943	0.7
224.04755	1.0
225.05539	0.9
225.09203	29.9
226.06360	8.3
226.09502	2.3
227.06802	0.7
239.03546	0.5
239.07127	1.2
240.04262	1.0
241.05046	30.3
241.08707	12.0
242.05417	2.6
242.09024	1.0
255.06615	9.7
256.07370	6.6
257.07809	0.6
344.10669	0.3
359.12921	0.8
380.59497	0.3
385.10349	0.4
388.62219	0.3
403.11938	0.4
449.13486	0.3
466.14166	5.2
467.14526	0.8
481.16541	100.0
482.16888	14.6
661.15826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
61.98827	3.2
71.01364	0.7
79.37936	0.3
89.02438	0.4
97.91817	0.3
98.20757	0.6
141.93031	0.3
151.93219	0.3
152.12996	0.3
166.25394	0.3
166.26845	0.3
169.06503	1.4
171.04518	0.6
182.07362	5.8
185.06044	1.5
189.07623	0.3
199.04042	0.3
203.14124	0.3
210.06842	30.4
211.07195	2.2
213.05531	7.9
214.05898	0.5
224.04785	1.1
225.09189	28.8
225.44812	0.3
226.06358	7.9
226.09482	1.9
227.06868	0.9
230.50470	0.4
239.03459	0.5
239.07059	0.9
240.04225	0.7
240.07726	0.4
241.05031	31.4
241.08694	11.3
242.05461	2.2
242.09026	0.9
255.06598	9.5
256.07349	6.1
330.27838	0.3
344.10101	0.5
359.12811	1.0
465.13339	0.4
466.14255	4.6
467.14542	0.9
481.16528	100.0
482.16888	14.4
615.03052	0.3
838.51447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
59.50322	0.3
61.98828	2.8
69.17270	1.9
69.17699	2.2
71.01377	0.6
98.46777	0.3
109.43348	0.3
121.65759	0.4
137.25578	0.4
169.06570	1.2
171.04514	0.9
185.06073	1.5
198.06920	0.7
210.06841	57.2
211.04012	0.6
211.07191	4.2
211.13268	0.6
213.03609	0.6
213.05569	8.5
214.06013	0.6
224.04762	0.9
225.05640	0.8
225.09184	14.6
226.06372	4.8
226.09543	1.1
227.06876	0.6
239.03351	0.6
239.07214	0.4
240.04240	1.3
241.05038	32.6
241.08630	5.6
242.05479	2.7
242.09238	0.6
255.06604	14.9
256.07352	9.2
257.07819	0.6
313.14471	0.5
314.30746	0.4
466.14157	4.1
467.14096	0.7
481.16522	100.0
482.16870	14.5
785.80170	0.4
839.27502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01374	0.6
61.98823	0.7
63.59813	0.2
69.03450	0.3
70.85662	0.5
71.01401	0.3
79.20550	0.2
83.05046	0.3
89.02464	0.3
90.02618	0.2
91.05549	0.2
93.07088	0.9
94.40705	0.2
95.05019	0.3
97.06596	1.3
101.02449	0.2
109.06549	0.2
111.08134	0.4
115.96049	0.2
121.10229	8.1
122.10551	0.4
123.08183	0.6
125.09719	5.5
127.11255	0.5
141.12814	0.8
147.08171	0.5
153.12827	0.3
163.11304	0.3
165.12750	0.4
168.91245	0.2
171.10298	0.5
177.12860	0.2
185.11813	10.7
186.12125	0.7
193.15968	0.4
195.13910	0.4
197.11818	2.6
209.11827	1.1
211.13419	1.4
223.13399	0.6
229.19481	0.3
235.08209	0.4
247.13321	0.4
247.20682	1.5
253.09283	1.0
263.20129	0.8
273.18652	1.8
277.21710	7.4
278.21985	0.7
289.18170	0.3
291.19638	100.0
292.19977	10.8
312.03125	0.2
366.28937	0.2
420.07291	0.2
430.54993	0.2
635.53668	0.2
805.41492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01358	1.7
59.33125	0.4
61.98827	6.5
62.79626	0.5
65.49440	0.4
71.01369	1.3
80.96526	3.8
86.35274	0.4
93.07115	0.5
94.98102	1.2
97.06567	1.0
101.62977	0.5
121.10220	5.3
123.08146	0.5
124.74209	0.5
125.09708	4.7
127.11250	0.5
139.11296	0.5
141.12854	0.7
147.08112	0.5
147.69824	0.5
151.11282	0.5
165.12801	0.5
175.14865	0.4
179.91838	0.5
184.65323	0.5
185.11800	6.3
186.11882	0.5
197.11804	1.8
209.11813	0.5
211.13409	0.8
212.31502	0.4
225.00780	0.9
241.08722	1.0
247.20618	2.0
253.09256	2.9
263.20099	3.3
273.18564	3.4
277.21698	17.4
278.22006	1.4
291.19635	100.0
292.19974	9.7
644.54785	0.5
695.19611	0.6
805.39886	3.9
806.40454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12527	0.2
57.03445	1.2
58.00582	0.3
59.01072	0.2
59.01374	4.9
61.98829	1.5
68.70757	0.2
69.03446	0.6
69.90865	0.4
69.91257	0.3
71.01371	4.5
71.05004	0.8
72.99292	0.2
73.02946	1.2
81.03416	0.2
83.01381	0.7
83.05042	1.0
85.02945	1.4
85.06621	0.4
86.02660	0.2
87.00871	1.4
87.04494	0.2
88.54495	0.2
89.02440	3.0
91.04012	0.2
95.01360	0.3
95.05009	0.4
97.02944	1.6
97.06558	0.4
98.19910	0.2
99.00865	0.4
101.01795	0.3
101.02431	4.6
102.02812	0.3
103.04028	0.4
105.47052	0.2
109.06586	1.0
111.04514	0.5
111.08140	1.2
113.02438	2.3
119.03473	1.1
121.02895	0.2
123.08112	0.2
125.02434	0.4
125.09743	0.3
127.07611	0.7
129.01865	0.2
133.05052	0.6
135.48970	0.2
137.09695	0.5
143.03468	0.5
145.05061	0.8
157.05031	0.4
161.04530	2.0
165.12816	0.6
167.10745	0.4
169.12317	0.5
171.10284	0.9
179.05630	0.4
179.10806	0.2
179.14374	0.5
180.32852	0.2
181.12357	0.5
183.13881	0.6
195.13881	3.9
196.14287	0.3
197.11819	4.7
205.12372	0.3
209.11678	0.3
211.13332	1.1
221.15414	2.8
223.13371	1.7
223.16875	0.3
225.14923	0.4
227.12872	0.4
229.19513	0.3
233.15419	0.7
233.22716	0.4
235.08211	7.6
236.08461	0.4
239.16628	0.9
247.20609	0.5
251.16440	0.3
253.09250	14.7
254.09557	0.8
255.23039	0.2
259.20572	0.4
260.44684	0.2
263.20062	0.4
273.18594	1.2
275.19946	0.3
277.21686	100.0
278.22040	9.8
289.68271	0.2
291.19635	17.6
292.20035	1.6
309.20679	45.8
310.21027	4.1
315.30051	0.2
513.30457	0.3
527.28741	0.5
545.29266	0.6
569.41925	0.3
650.65692	0.2
656.66162	0.2
805.50848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.2
57.10262	0.2
59.01374	2.8
61.98835	2.5
67.51837	0.2
69.03433	0.2
70.51919	0.4
70.52276	0.4
71.01382	2.5
73.02950	0.4
80.96526	0.2
82.95419	0.2
83.01403	0.4
85.02948	0.6
87.00883	0.6
89.02439	2.4
95.01386	0.3
101.02441	2.6
111.08170	0.3
113.02468	1.2
119.03477	0.4
152.99570	0.2
161.04573	1.3
165.12631	0.2
167.10791	0.3
171.10219	0.3
177.12881	0.4
179.05624	0.7
179.14426	0.6
195.13898	8.0
196.14430	0.8
205.12370	0.7
205.16016	0.3
211.13406	0.5
223.13379	6.1
224.13911	0.4
225.14743	0.2
227.53603	0.2
228.13705	0.9
231.21097	0.6
235.08151	0.8
249.22121	0.3
253.09276	16.4
254.09657	0.7
256.13235	1.2
257.18954	0.2
265.21725	0.7
275.20142	6.2
276.20450	0.6
277.21747	0.3
291.19559	0.2
293.21219	100.0
294.21548	8.5
309.20822	0.2
405.67892	0.2
492.22040	0.6
529.30182	0.8
569.42267	1.3
778.43097	0.2
805.40942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
60.51299	0.7
61.98830	5.6
63.73756	0.6
66.96006	0.6
69.41610	2.4
69.42041	2.7
69.86494	0.7
71.01371	5.2
73.02934	1.5
81.07089	0.7
83.01412	0.6
85.02930	1.2
89.02433	1.2
93.03467	1.4
98.19927	1.5
99.08147	0.9
101.02415	1.9
106.99124	0.7
108.02126	0.8
113.02451	1.1
117.03467	2.4
119.05018	26.2
120.05316	1.0
120.93330	0.6
121.02938	1.2
123.04503	5.3
126.35664	0.7
127.07646	100.0
128.07961	4.0
129.05553	1.8
132.05794	1.0
133.06616	4.4
134.03773	0.6
134.38408	0.6
138.03201	1.4
140.35281	0.7
145.02948	12.8
153.05565	17.9
154.05916	0.7
159.04572	1.2
161.06081	9.6
163.04002	17.0
171.06619	76.0
172.06950	3.1
187.04028	3.7
189.07672	1.1
203.05547	1.4
205.05063	8.0
217.05219	0.7
249.80743	0.7
325.09128	3.9
367.10321	2.0
439.16125	7.3
440.16382	1.1
483.17520	0.9
539.17609	1.9
668.20526	0.8
701.22876	51.8
702.23224	11.7
807.29370	0.7
807.44415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98826	4.9
69.24082	3.7
76.27159	0.4
82.91525	0.4
93.03432	1.6
119.04964	0.6
121.06569	1.6
122.27997	0.4
124.66370	0.4
128.17014	0.4
145.02983	0.4
164.98311	0.4
165.05557	15.7
166.05980	0.6
167.05037	0.4
195.04399	1.9
196.05219	1.1
197.06044	1.1
211.03812	0.5
211.13405	0.6
223.03947	2.0
224.04742	5.0
225.05510	4.8
226.06195	2.1
227.06935	0.6
228.04190	0.5
238.06155	0.6
239.06996	1.2
240.07706	1.1
241.08620	0.4
261.04855	0.5
280.14236	0.4
289.08688	0.7
309.20471	1.1
311.22354	0.6
312.73981	0.4
313.08887	0.5
313.66934	0.4
325.08871	0.5
341.08173	1.6
342.08615	0.5
343.09842	0.5
344.10394	1.3
345.10791	1.1
353.07953	0.8
359.12817	1.1
360.13016	0.8
361.13257	1.0
369.07504	1.3
370.08325	2.4
371.09128	1.5
380.03333	0.5
384.10361	0.5
385.10730	1.7
386.11154	0.5
387.11899	0.7
404.12210	0.5
405.12842	0.8
567.14697	0.7
579.14886	0.5
583.17303	1.0
593.15771	1.0
594.16724	1.2
595.17328	1.9
596.16559	0.8
597.16650	0.6
610.16736	1.4
611.16809	5.8
612.17725	1.1
625.18713	5.1
626.19342	5.8
627.19806	1.1
641.21741	100.0
642.22076	21.3
642.33051	0.8
807.27362	0.6
807.44672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.4
61.98823	4.0
63.65937	0.9
71.01379	5.5
71.50934	1.5
73.02942	1.3
74.26068	0.8
83.01374	0.9
85.02943	1.9
88.98804	2.9
89.02432	3.5
101.02450	3.9
113.02425	1.8
115.00320	0.8
119.03540	1.3
123.04494	1.2
123.26921	0.8
127.07645	86.8
128.03529	1.1
128.07990	3.7
128.90158	2.1
129.01903	1.5
129.05533	1.7
141.64624	0.9
153.05653	1.1
165.01921	5.4
171.06616	57.7
172.00336	0.9
172.06934	2.4
180.04256	2.4
195.06599	2.9
196.90425	1.0
225.07634	3.5
247.57495	0.8
351.12915	100.0
352.13208	7.7
376.44147	0.8
389.16040	1.1
509.99792	0.8
595.82269	0.8
611.47052	0.9
611.74860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.5
59.01378	46.7
61.98826	50.7
71.01381	47.2
72.99313	5.5
73.02952	15.8
83.01392	10.9
83.05029	46.0
85.02951	27.3
86.00095	3.0
87.00877	6.2
89.02436	11.5
95.01428	6.5
99.00875	7.4
99.04513	3.4
99.08139	3.1
100.46944	2.7
101.02446	35.2
111.00882	11.7
111.08157	2.5
113.02464	12.5
119.03503	3.0
121.06580	5.6
122.03736	11.5
123.04506	7.5
125.02465	6.5
125.06045	2.6
127.04005	84.3
128.04245	3.4
137.06056	17.3
139.07640	50.0
153.05589	15.1
163.03922	5.9
165.04182	3.2
165.05559	52.4
171.06607	3.8
181.05014	2.9
213.05580	3.0
232.15631	2.7
241.05049	10.3
242.05383	8.3
243.05777	2.9
371.66635	2.7
391.85193	2.6
439.16034	4.8
467.14139	3.9
468.14783	5.2
481.16287	7.5
482.16818	13.1
483.17026	18.2
517.33813	18.2
583.38934	4.2
601.39587	28.0
602.40363	4.6
623.35986	15.0
645.22705	4.0
645.52429	2.6
679.39099	70.9
680.39703	13.8
697.39850	6.9
763.44775	100.0
764.45258	16.7
789.42261	9.6
807.43878	67.7
808.44135	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	807.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.5
59.01116	3.0
59.01381	39.8
61.98831	41.0
65.88007	1.9
67.01893	3.5
69.30981	16.1
71.01017	3.4
71.01382	48.6
72.99287	2.7
73.02943	17.7
73.83992	1.7
83.01396	15.4
83.05027	51.1
84.05352	2.2
85.02950	31.2
87.00888	4.3
89.02444	9.6
95.01400	4.4
97.02936	3.2
99.00870	5.2
99.04516	4.7
101.01804	2.7
101.02445	31.4
101.83929	1.8
109.02949	4.4
111.00877	8.7
113.02445	15.3
118.13352	2.0
119.03474	2.2
121.06565	5.1
122.03748	11.5
122.04528	1.8
123.04507	4.1
125.02450	5.1
127.04015	94.6
127.07674	5.4
137.06094	16.4
139.03972	3.2
139.07654	54.4
140.07924	2.3
141.01907	3.8
153.05563	4.3
159.02940	2.9
161.04538	3.0
163.03923	2.9
165.05568	58.5
166.05859	3.2
171.06598	5.6
181.08731	2.0
299.25931	2.4
347.53659	1.8
348.54269	2.0
373.02753	2.0
517.33801	15.2
583.38928	4.9
601.39508	26.7
602.39655	4.4
623.36438	21.8
679.39075	74.9
680.39508	14.5
697.39948	4.3
745.43549	3.5
763.44818	100.0
764.45184	20.0
771.43011	4.6
789.42908	9.9
807.43890	66.0
808.43945	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	808.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88548	0.5
59.01373	1.2
61.98825	2.6
65.89543	0.5
71.01378	0.6
78.95892	6.1
86.49326	0.5
93.66428	0.5
97.06596	0.6
98.19842	0.8
105.68311	0.4
119.32132	0.4
135.22130	0.4
147.15489	0.5
148.08942	0.9
150.10545	0.5
151.11269	0.6
152.99586	1.8
163.11284	0.9
165.12833	19.4
166.13181	1.3
168.04295	1.3
169.94708	0.5
173.86108	0.5
173.91898	0.4
175.11278	0.8
176.12041	0.7
191.14456	1.0
223.13477	0.5
224.06926	0.6
229.06894	0.5
239.93961	0.5
242.07948	2.2
247.20628	11.2
248.20953	1.1
264.16635	0.5
273.18613	4.8
277.21698	62.3
278.22055	5.6
291.19638	100.0
292.19968	9.9
401.13550	0.6
502.29355	29.1
503.29666	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	809.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
61.25518	0.5
61.98817	1.7
62.95273	0.5
64.34167	0.4
71.01377	50.9
71.50616	0.9
72.01720	0.6
72.99298	1.6
73.02943	1.1
75.00840	0.5
80.93793	0.5
85.02937	1.3
89.02464	0.5
93.03456	1.4
94.66568	0.5
95.05009	2.5
96.96011	2.3
96.99301	2.4
99.00861	1.1
101.02459	2.9
105.03427	0.8
113.02451	2.1
115.00363	100.0
116.00718	1.7
119.05015	12.3
121.02969	1.2
123.04517	60.0
124.04852	1.7
125.02470	0.6
129.05576	1.2
133.01398	2.1
149.02444	0.5
153.05585	0.8
161.04539	1.7
163.03998	3.1
176.15854	0.6
189.07733	1.1
203.52924	0.5
223.07640	0.6
237.09273	0.7
259.04602	6.9
260.04935	0.8
277.05356	2.5
283.09842	1.2
285.09744	2.1
327.08783	6.2
328.09097	0.6
357.09650	0.7
383.09790	76.3
384.10135	7.8
387.20221	0.9
401.10883	4.0
407.05667	0.5
437.69754	0.6
481.09814	27.8
482.10126	4.6
499.10895	4.7
519.24603	0.5
547.14618	0.9
564.21918	0.7
617.50854	0.6
714.97028	0.7
830.07697	0.5
844.72058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	0.5
60.76717	0.5
61.98830	2.4
69.54008	3.0
71.01382	20.8
72.99293	1.1
73.02952	5.1
76.76144	0.5
83.01350	2.7
84.69032	0.5
85.02944	6.1
87.00897	1.4
89.02438	5.5
93.03478	0.7
95.01421	1.3
96.96005	1.4
99.00894	1.8
99.08192	0.6
101.02439	11.4
113.02445	5.9
115.00367	16.3
119.03537	2.2
119.05032	2.6
123.04514	10.2
127.07676	1.1
129.05594	1.8
129.47717	0.6
141.25081	0.6
143.03529	0.9
150.05644	0.6
153.05627	1.2
159.03098	0.8
161.04565	4.2
163.04047	0.8
171.06763	0.8
175.02501	0.7
179.05670	1.2
181.12445	0.8
189.07747	2.2
203.05630	0.7
207.14020	0.9
243.66914	0.6
249.13429	4.4
259.04828	1.3
291.14685	2.1
327.08835	2.0
327.63666	0.6
351.18311	1.3
357.10062	0.9
369.19217	5.6
370.19281	0.7
383.09821	12.0
384.09991	1.1
387.20212	16.3
388.20663	1.2
401.11084	0.6
429.21274	16.3
430.21826	1.7
481.09906	5.0
482.10571	1.3
542.70898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
58.00581	0.8
59.01379	29.6
60.01723	0.7
61.98590	0.6
61.98827	7.1
69.24607	4.8
71.01379	20.7
72.99306	1.0
73.02943	14.8
81.03452	0.8
83.01383	4.5
84.04543	2.7
85.02950	6.2
87.00861	1.7
89.02438	6.3
95.01384	1.4
97.02942	0.8
99.00836	0.8
101.01802	1.2
101.02444	17.2
113.02457	7.6
116.92870	4.2
119.03490	2.2
123.04533	1.4
127.07671	1.2
129.01869	0.7
129.05521	0.7
131.03487	0.9
143.03470	0.8
161.04622	0.9
175.23973	0.7
193.12320	0.8
201.11380	0.7
209.11781	1.3
223.16966	1.3
224.02904	0.6
253.09325	1.4
275.20175	7.0
277.21683	1.8
278.17563	4.5
279.17917	1.9
281.46942	0.7
293.21234	12.4
294.21368	1.7
437.25330	4.7
438.25632	1.4
455.26447	26.6
456.26843	2.6
497.27548	100.0
498.27966	15.7
534.34149	0.8
647.43073	0.9
809.47192	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	809.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84817	100.0
84.23899	32.3
90.05941	35.2
134.47491	38.6
277.21530	45.0
311.18069	37.1
443.13654	36.9
451.81744	38.3
669.13507	43.5
707.10559	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
78.95908	63.4
99.92589	76.9
177.43895	32.0
179.89229	35.6
196.89462	82.4
204.13338	34.9
260.01004	39.3
355.49246	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.59911	0.1
61.05868	0.1
61.98830	0.4
65.34364	0.1
69.35829	0.4
69.36252	0.8
71.01380	0.3
83.05003	0.1
87.97337	0.1
88.95248	0.1
96.42540	0.1
98.19901	0.3
112.91878	0.1
127.07603	0.2
137.06003	0.1
191.10674	0.1
191.18124	0.2
219.21068	0.3
245.19099	0.5
261.18503	0.3
263.20120	100.0
264.20462	9.1
277.21689	12.4
278.22043	1.0
290.90726	0.1
663.89124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
57.06499	0.3
58.88563	0.4
59.01371	1.4
60.61716	0.3
61.98824	2.0
71.50380	0.4
73.63836	0.3
79.08196	0.3
104.15813	0.4
113.09708	1.5
124.51569	0.3
179.14388	1.0
195.13881	14.9
196.14267	0.7
243.14240	0.4
253.09155	0.7
277.21695	14.8
278.22031	2.0
295.22754	100.0
296.23117	9.1
326.66553	0.4
328.37573	0.4
388.92261	0.4
523.35309	0.4
647.49573	0.5
677.83020	0.4
841.35907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01377	3.4
60.52301	0.2
61.98816	0.6
63.85498	0.2
69.03441	0.2
69.31077	1.8
71.01379	0.3
72.99258	0.2
87.00880	0.2
89.02451	0.3
93.66833	0.2
96.30695	0.2
97.06597	0.5
101.02412	0.3
117.22696	0.2
123.08157	0.6
125.09718	2.3
141.12863	0.8
149.09679	1.0
164.93254	0.2
171.10254	0.3
183.13904	1.5
185.11819	5.9
186.12230	0.3
195.13876	0.9
195.61021	0.2
197.11815	1.6
211.13408	0.8
216.96933	0.2
220.14697	0.2
221.15456	0.7
223.13348	0.8
236.10468	0.6
249.22188	0.7
253.09222	1.3
275.20203	1.4
279.23276	9.1
280.11011	0.2
280.23642	0.9
291.19797	0.3
292.19962	0.4
292.42029	0.3
293.21198	100.0
294.21536	9.7
434.17279	0.2
547.55176	0.2
790.39478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.9
59.01380	5.4
69.76247	4.9
69.78592	1.1
71.01383	3.0
77.04015	1.6
78.08983	1.0
93.19108	1.2
95.05031	1.9
99.08159	46.5
101.02447	1.2
109.06612	1.2
123.04529	100.0
124.04864	3.3
127.07655	66.2
128.07983	3.1
129.05588	39.3
130.05939	1.8
138.03241	1.8
145.05489	1.1
153.05580	69.2
154.05913	2.9
156.83348	1.0
161.04558	1.7
164.91037	1.1
171.06636	14.8
189.07640	2.2
255.73691	1.1
285.09781	3.9
327.10849	10.7
328.62686	1.1
383.08124	1.1
439.16162	2.5
457.17163	46.4
458.17328	7.4
499.18216	59.7
500.18466	8.5
615.96838	1.2
640.86420	1.3
732.03906	1.4
758.49945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.00606	0.3
59.01380	5.6
61.98831	100.0
62.98544	0.2
71.01385	4.4
72.99325	0.6
73.02945	0.7
75.00890	0.2
83.01401	0.3
85.02964	1.4
86.36397	0.2
87.00896	0.4
88.98871	0.2
89.02456	2.7
95.01396	0.5
96.96065	0.2
97.02947	0.3
98.20622	0.4
99.00871	0.3
99.08157	1.2
101.02453	2.5
105.01937	0.3
113.02457	1.4
115.00368	0.3
116.92850	1.0
119.03509	1.2
119.05023	0.3
123.04509	2.9
127.07651	1.9
129.05612	1.2
147.04520	4.5
148.04852	0.3
153.05576	1.9
161.04532	0.5
163.04015	0.3
171.06622	0.5
179.05652	0.4
193.21346	0.2
207.97612	0.2
223.21089	0.2
240.92776	0.2
247.32726	0.2
259.13629	0.2
280.50259	0.2
313.14532	0.4
314.14905	0.3
315.93152	0.2
327.11197	0.2
334.20218	0.2
335.17181	0.4
439.16190	0.3
457.17334	0.7
457.27615	0.3
493.25018	0.2
499.18259	1.1
501.30817	0.8
519.31812	0.4
586.35754	0.4
649.38568	0.5
663.35992	9.9
664.36414	1.6
674.05554	0.3
811.44391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45584	0.6
60.10449	0.6
61.98830	8.3
71.01372	1.1
71.50986	1.6
79.95750	1.0
87.07817	0.7
114.31003	0.7
119.05010	1.0
143.81532	0.7
170.00526	0.8
183.01189	27.9
184.01625	1.4
209.73598	0.7
216.01328	0.8
221.11812	1.0
293.21133	0.8
295.22620	1.0
297.15265	100.0
298.15613	8.3
607.16180	0.8
611.50323	0.7
639.31274	0.8
721.98993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.8
59.01369	14.3
61.98827	100.0
67.13630	2.0
69.50358	2.0
70.77169	1.9
71.01370	13.3
73.02937	2.7
83.01357	2.6
85.02963	4.1
89.02431	6.0
94.97592	2.1
99.08149	6.3
101.02434	9.0
109.06562	4.8
113.02447	7.1
119.03488	4.7
123.04523	28.4
124.04839	2.5
127.07641	27.9
128.08008	2.4
129.05571	13.9
131.05064	4.7
138.03226	5.2
145.06580	2.9
147.04523	45.3
148.04831	2.1
153.04314	4.7
153.05569	93.8
154.05923	4.6
161.04620	4.9
161.06058	21.1
171.06656	11.5
189.05530	7.5
219.06616	2.8
239.55305	2.0
249.07455	2.4
309.10126	2.6
439.16028	43.2
440.16425	5.3
457.16879	2.4
478.82202	2.1
500.18600	3.6
545.26001	5.5
743.95947	2.4
749.26709	4.5
813.44464	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	813.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
59.83512	0.1
62.37783	0.1
64.87449	0.1
67.73886	0.1
70.70065	0.1
71.01378	12.3
72.01715	0.3
72.83820	0.1
72.99307	0.5
85.02969	0.2
86.17815	0.1
89.02439	0.4
93.03465	0.6
96.96029	0.2
99.08121	0.3
101.02420	0.2
108.02160	0.2
109.65388	0.2
115.00370	9.5
116.00748	0.3
117.03481	0.2
119.05023	45.3
120.05362	1.7
121.00279	0.2
123.04520	0.2
127.07643	0.5
127.70068	0.1
129.05583	1.4
133.01427	17.6
134.01781	0.5
135.04530	0.4
151.00371	0.3
163.04004	100.0
164.04350	5.3
179.07335	0.1
189.07675	2.5
190.08006	0.2
227.03348	0.8
255.02968	2.3
256.03558	0.1
279.05090	6.5
280.05399	0.4
283.02448	3.0
284.03198	1.2
285.04044	7.4
286.04385	0.7
327.08786	0.3
369.12869	0.2
446.08719	0.2
447.09293	0.8
489.10492	1.0
490.10657	0.3
651.15668	2.0
652.16132	0.5
813.20734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01379	4.1
59.14968	0.4
61.98818	1.4
71.01389	2.1
71.01726	0.4
71.62855	0.4
78.61985	0.3
85.02963	0.8
88.60337	0.4
89.02464	1.3
92.58945	0.4
96.96015	0.4
98.19861	0.9
99.08154	14.7
101.02454	0.9
113.02421	0.8
123.04520	1.8
127.06696	0.8
127.07652	16.3
128.08000	0.6
129.05579	53.5
130.05928	2.1
145.08678	1.9
147.04558	0.9
153.05556	1.3
163.03963	0.5
171.06615	4.0
189.07671	100.0
190.08017	4.7
326.11703	0.5
327.40540	0.5
336.60605	0.4
375.25696	0.4
489.19083	0.7
489.25769	0.4
651.39923	0.5
739.49384	0.5
813.44598	2.6
814.43787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
58.00563	1.0
59.01071	1.3
59.01375	23.8
59.56857	0.6
61.98540	1.0
61.98828	14.0
62.22842	0.6
63.23967	0.5
64.16499	0.7
68.58949	0.5
71.01378	19.9
71.50722	0.6
72.99288	2.3
73.02948	3.0
75.00877	0.9
75.22633	0.6
83.01385	2.7
85.02946	6.5
85.37726	0.6
87.00874	1.8
89.02438	11.8
95.01376	1.7
96.95972	1.2
99.00882	1.4
101.02433	13.2
103.05533	1.3
113.02443	7.8
116.92808	1.1
118.46965	0.6
119.03495	5.3
119.05006	2.5
123.04522	1.5
125.02420	1.9
127.07650	1.5
129.01869	0.7
129.05518	0.6
131.03546	0.9
143.03517	1.3
147.04509	100.0
148.04871	5.7
153.05528	0.8
157.12320	1.1
159.02957	0.8
161.04559	2.7
171.10214	0.8
179.05641	1.6
184.05020	0.7
211.13416	0.9
211.62039	0.7
306.40161	0.6
341.23367	2.1
359.28061	0.8
421.79919	0.7
460.34305	0.7
503.32108	7.2
504.32504	1.7
521.33411	4.3
522.33105	0.7
633.38251	0.6
651.39227	5.0
652.39349	1.3
665.37476	53.6
666.37762	10.6
716.41724	0.7
753.45294	0.7
793.52051	0.7
813.42572	14.8
814.43958	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	813.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00574	0.7
59.01378	21.5
61.98828	32.5
62.98522	0.7
63.99234	1.2
71.01381	19.4
72.99307	2.2
73.02948	3.0
83.01376	2.0
85.02944	5.8
86.81754	0.5
87.00875	1.9
87.46552	0.5
88.98795	1.2
89.02446	12.1
93.03437	0.6
95.01382	2.1
98.19881	1.5
99.00887	1.0
99.08144	0.9
101.02441	11.6
103.05537	1.3
111.00859	1.1
113.02438	7.5
116.92880	0.9
119.03498	4.8
119.05012	3.1
119.94830	0.5
121.02896	0.7
122.58047	0.5
123.04514	1.3
125.02407	2.4
127.07648	1.6
129.05579	1.2
143.03494	2.2
147.04515	100.0
148.04843	4.9
153.05594	1.3
157.83676	0.6
161.04567	2.1
179.05621	1.8
192.15477	0.6
345.19342	0.6
359.28012	0.6
457.16895	0.7
475.03726	0.5
485.31680	0.8
503.32272	8.1
504.32993	0.7
521.33154	4.5
522.33582	0.7
652.96570	0.6
665.37469	59.7
666.37769	11.6
753.43695	0.7
813.42749	13.5
814.43207	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	813.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68058	0.8
57.03427	4.0
58.00581	1.8
59.01379	49.7
61.98831	23.2
69.23310	7.3
69.23708	2.2
71.01379	50.8
72.99317	4.0
73.02948	12.2
75.00877	1.0
81.03465	1.3
83.01385	7.6
85.02949	21.9
86.00110	1.4
87.00864	4.8
88.98804	3.8
89.02448	26.3
95.01388	5.2
96.96003	0.9
97.02972	1.4
99.00875	5.7
99.04474	0.8
99.08147	1.9
101.02441	36.6
101.03120	1.9
102.02785	1.0
109.02992	0.9
111.00880	3.6
113.02442	19.7
115.00359	1.1
119.03497	8.9
119.05030	0.9
123.04547	4.2
125.02453	3.2
127.07660	4.4
129.01900	0.8
129.05574	2.9
131.03476	1.4
133.77306	0.8
134.03719	2.5
138.30089	0.8
142.53627	0.9
143.03529	2.1
147.04544	4.2
153.05565	3.3
159.02971	2.5
159.04449	1.1
161.04556	6.7
171.06642	1.9
179.05608	3.4
193.05118	4.2
207.38026	0.8
221.06738	1.1
224.57152	1.1
229.34282	0.9
237.42378	0.9
257.08145	1.3
288.36960	0.9
327.29007	1.3
459.17462	1.0
468.85349	1.1
471.33215	1.6
489.34216	5.1
633.38702	4.1
651.39532	15.2
652.39850	3.1
665.37445	3.8
753.44019	1.2
775.44727	5.7
776.45105	1.8
777.45190	1.6
813.44855	100.0
814.45209	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
61.98824	3.4
62.11042	0.7
68.99571	0.8
71.01373	3.3
72.99313	1.3
78.95901	2.1
83.05019	0.7
85.02969	0.8
87.00845	0.8
89.02440	3.2
93.03462	10.8
101.02465	2.7
105.01933	9.4
113.02454	2.2
119.03510	1.1
148.93315	0.8
152.99644	1.2
161.04559	2.1
179.05647	1.7
179.24539	0.7
183.13895	6.6
193.12292	4.4
200.76135	0.9
209.11836	1.1
211.13399	100.0
212.13759	6.2
223.13422	3.5
235.08179	1.9
247.71974	0.8
253.09300	7.7
277.21716	44.7
278.22040	4.8
299.16534	4.2
317.17590	26.4
318.17941	2.2
344.73141	0.8
429.21375	2.1
447.22397	7.0
535.25677	2.8
553.26556	12.5
554.26868	1.9
587.07684	0.8
707.43402	1.3
813.47205	8.3
814.47522	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01374	0.3
60.99303	16.9
69.84976	0.3
70.46157	0.6
70.46492	0.3
87.00867	0.9
88.01245	0.3
88.98801	100.0
89.02433	2.5
89.99146	1.1
91.96217	0.3
96.59260	0.3
99.08157	1.5
116.40220	0.3
123.04521	3.5
124.04774	0.3
127.07664	2.2
129.05582	1.7
135.26112	0.3
153.05534	1.8
161.04460	0.3
171.06668	0.4
285.09866	0.3
349.75464	0.3
358.15106	0.3
380.41110	0.3
457.17093	6.6
458.17627	1.4
470.44949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99304	18.1
69.40530	1.9
71.01408	0.3
73.05042	0.2
87.00880	0.7
88.98803	100.0
89.02431	1.4
89.99143	0.8
98.20590	0.6
99.08144	1.9
123.04516	3.7
127.07662	2.4
129.05566	2.0
153.05580	2.7
161.04570	0.3
167.90543	0.2
171.06651	0.7
189.07726	0.4
200.86563	0.2
285.09937	0.5
406.16815	0.3
457.17136	6.6
458.17529	1.1
487.18439	0.5
521.65582	0.2
608.69092	0.3
645.77649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01381	2.9
60.18550	0.2
60.99304	17.9
61.98830	2.9
71.01386	1.7
71.10533	0.4
73.02951	0.3
75.00858	0.2
75.83438	0.2
85.02953	0.6
87.00876	0.6
88.98803	100.0
89.02451	1.1
89.99137	1.3
90.98629	0.3
93.03431	0.3
93.75941	0.2
95.05051	0.2
96.96018	0.6
99.07565	0.3
99.08166	3.9
100.54922	0.3
101.02454	0.8
103.19955	0.2
105.01952	1.2
113.02465	0.8
113.62902	0.2
115.00347	0.3
116.92856	0.4
118.26991	0.3
119.03529	0.3
119.05035	0.7
123.04516	7.3
124.04892	0.3
127.07642	5.6
129.05582	3.7
130.05962	0.3
133.01424	0.4
134.03737	0.3
153.05577	7.1
154.05898	0.3
161.04550	1.0
163.04024	1.0
171.06590	1.4
189.07661	1.0
193.04976	0.4
260.03217	0.2
285.09738	0.9
297.11792	0.4
365.39191	0.3
372.48694	0.3
382.55310	0.2
457.17136	10.8
458.17316	1.4
487.18192	2.6
488.18515	0.3
503.24710	1.0
509.29190	0.4
781.36829	0.2
816.27832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.9
61.98830	12.4
71.01382	6.5
77.42143	2.2
77.50863	2.2
78.95894	4.1
79.95737	5.3
80.96516	31.5
83.05020	6.0
85.02909	2.7
87.42645	2.5
88.98788	11.6
89.02451	6.1
90.21069	2.1
94.98096	7.8
101.02400	3.8
142.30795	2.4
144.94746	2.2
147.04512	2.7
163.11281	3.0
164.98624	4.3
175.04060	3.5
176.04765	16.7
177.35591	2.3
206.27415	2.5
209.11809	100.0
210.12129	7.6
217.12276	2.8
225.00754	7.8
227.12857	14.2
235.08194	4.9
253.09265	8.4
255.23283	4.9
259.15164	2.2
260.42209	2.3
277.21713	87.7
278.21967	10.1
283.13239	6.9
285.16852	2.3
301.14398	19.1
324.01816	2.7
376.87549	2.4
407.55075	2.7
445.20905	4.4
803.96460	2.8
815.49158	33.7
816.49670	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	815.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49835	0.5
59.01380	2.7
63.96229	1.9
64.01073	0.5
66.48031	0.5
67.39634	0.5
69.03452	0.5
71.01379	9.9
71.11922	1.1
72.99316	0.6
73.02942	2.3
73.03323	0.5
78.98586	7.7
79.95733	16.4
80.96516	100.0
81.03434	1.0
83.01400	0.5
85.02955	3.3
87.00874	3.8
94.98081	24.2
95.01410	0.5
96.20600	0.5
96.96004	0.8
97.02930	2.7
99.00878	0.7
101.02431	2.7
106.98068	4.4
122.97584	4.2
125.02447	3.8
127.04004	1.1
134.28444	0.5
134.97585	6.9
136.99132	1.8
148.99133	8.3
152.98621	7.5
159.64194	0.5
164.98613	13.2
167.00209	0.7
183.02074	0.5
188.98697	0.6
206.99680	2.9
225.00728	18.4
226.00986	0.6
230.97873	0.6
232.97523	1.7
255.23172	2.6
277.21664	0.7
283.04764	0.6
339.08524	0.5
537.27704	1.1
538.27728	0.5
559.25745	2.0
560.25836	0.7
604.02814	0.5
815.49786	92.5
816.50238	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.9
59.01375	12.1
61.98813	2.0
69.19341	3.6
69.19760	2.5
71.01373	3.6
71.85847	0.7
72.32066	0.6
73.02949	4.9
73.95416	0.8
83.01380	0.9
89.02407	1.2
101.02436	4.9
107.82856	0.7
113.02418	1.3
115.00391	1.0
123.04504	0.9
125.02430	0.6
127.83739	0.7
143.03348	0.7
149.04567	0.7
151.00371	1.6
151.89795	0.7
161.04506	1.3
178.99768	0.8
184.35262	0.7
227.03471	33.8
228.03821	2.6
229.05093	1.4
255.02965	42.4
256.03537	5.6
257.04306	1.5
284.03229	48.0
285.03946	17.9
286.04416	1.1
300.02853	0.7
327.05118	0.9
435.08356	0.7
447.09271	100.0
448.09631	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	817.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00579	0.5
59.01373	8.9
59.29222	0.4
61.98824	13.9
71.01376	13.4
72.99304	0.7
73.02950	1.0
80.96506	0.9
81.07111	1.0
82.87379	0.4
83.01381	0.9
83.05022	0.8
85.02957	3.7
86.69266	0.4
87.00872	1.0
88.98764	0.5
89.02438	5.4
95.01381	1.7
95.72582	0.5
97.02963	0.5
99.00878	0.7
99.08165	0.5
100.80544	0.4
101.02435	5.5
103.05546	0.6
109.06590	3.8
113.02434	10.1
114.40267	0.5
115.00349	0.9
115.05527	2.2
117.03432	0.6
117.56853	0.4
119.03505	5.9
119.05006	1.5
123.04536	1.6
125.02384	0.6
127.07658	3.5
129.05576	1.1
129.07036	0.5
131.03525	0.6
131.05034	4.1
133.06593	4.1
134.01247	0.4
135.03041	0.6
138.03232	4.4
143.03485	1.6
145.06592	1.0
147.04509	55.9
148.04839	3.3
153.05563	100.0
154.05870	3.8
159.02945	0.4
161.04546	9.9
161.06068	24.6
162.05173	0.5
162.06468	1.4
167.07028	0.5
171.06598	0.8
173.05862	0.5
175.02492	1.5
175.07695	1.2
177.05406	0.4
179.05594	4.2
189.05542	10.5
190.05946	0.4
201.05579	1.6
211.13527	0.5
219.06589	1.8
221.06616	0.8
235.01959	0.4
237.07660	1.2
249.07649	1.4
249.86703	0.4
255.15634	0.5
291.08582	0.6
309.09778	4.5
421.15149	1.3
463.16092	1.0
481.17648	0.8
482.49725	0.5
493.16763	1.8
583.20508	1.0
660.43384	0.5
668.39124	0.6
757.44263	0.7
775.44800	1.6
805.03870	0.5
817.46417	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	818.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01377	7.8
61.98827	100.0
68.56737	0.3
71.01379	1.4
72.99294	0.3
73.02943	0.6
83.04980	0.4
88.98809	0.6
89.02443	0.6
93.03483	0.4
94.15616	0.3
95.05035	0.3
97.82681	0.3
99.08155	4.7
101.02467	0.8
113.02480	0.3
119.05056	0.5
123.03632	0.8
123.04520	12.9
127.07634	9.2
129.05573	14.3
130.05974	0.6
153.05569	21.1
154.05884	0.5
161.04550	0.4
171.06618	2.9
173.47716	0.4
181.12384	0.6
189.07674	11.1
190.07959	0.4
195.06624	2.5
227.03577	0.5
255.02988	0.5
257.13019	0.5
284.03448	0.4
285.04218	0.5
292.99713	0.5
301.12057	0.5
307.11725	0.5
315.10910	1.0
325.12891	12.8
326.10062	0.3
326.13174	1.8
357.12027	0.5
385.71088	0.4
416.71982	0.3
457.17502	1.2
487.18176	24.3
488.18405	2.6
507.28458	0.4
550.22083	0.4
593.22333	10.4
594.22699	1.9
749.56854	0.3
755.27765	8.7
756.27917	2.2
842.36890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	7.2
61.98828	100.0
65.08762	0.3
71.01386	1.3
72.99311	0.5
73.02947	0.5
73.88448	0.3
85.02945	0.5
88.98795	1.1
89.02450	0.6
96.96010	0.4
99.08157	4.4
100.08485	0.4
101.02454	1.3
113.02453	0.7
119.05080	0.8
123.04529	12.3
124.04876	0.4
127.07655	7.3
129.05580	12.7
136.05235	0.3
153.05568	21.4
154.05936	1.0
161.04575	0.6
163.04024	0.8
165.05646	0.5
171.06612	2.4
189.07672	10.9
193.04848	0.4
195.06659	1.6
227.03467	0.6
229.38841	0.4
255.02888	0.5
273.01208	0.4
285.09921	0.4
301.11874	0.6
302.64130	0.4
307.11819	0.4
315.10800	1.2
325.12909	13.1
326.13248	0.9
457.17215	1.5
487.18210	21.1
488.18427	3.2
507.28046	0.8
549.33234	0.4
550.33044	0.5
593.22412	11.2
593.31628	0.7
594.22424	1.7
632.76508	0.4
645.19025	0.5
657.41370	0.5
706.85870	0.4
711.94867	0.4
755.27679	8.3
756.28387	1.9
821.70361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.2
61.98825	100.0
71.50706	0.2
75.00870	0.5
80.96522	0.3
98.20528	0.2
114.24594	0.2
121.02207	0.2
121.02926	1.4
140.47131	0.2
165.01892	1.1
224.19229	0.2
253.09363	0.3
277.21790	0.3
289.18048	0.3
291.19705	1.0
293.21320	0.6
309.20862	0.3
550.40460	0.3
567.21643	0.2
719.24725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
78.95921	0.2
80.96520	0.4
152.99536	0.2
177.39339	0.2
273.16373	0.1
277.21951	0.1
289.18060	0.2
291.19684	0.5
293.21384	0.4
307.19308	0.2
309.20663	0.2
349.89474	0.1
361.49146	0.1
464.67551	0.1
696.30591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	11.5
69.22458	6.5
69.74076	0.8
77.51172	0.8
80.05067	0.7
80.96513	1.0
82.06606	1.6
87.05618	5.4
88.39720	0.7
94.03032	0.6
98.20673	1.5
110.03555	1.0
112.07668	1.1
113.03569	1.1
115.16042	0.8
121.04048	1.4
127.08788	0.8
129.10342	14.2
130.08711	2.4
136.94467	0.7
139.08774	3.4
140.07124	3.8
141.00374	0.8
153.10303	1.3
155.08270	3.8
155.11905	0.8
163.08934	0.9
164.09561	3.8
165.10265	2.8
167.08311	0.9
182.12955	2.7
183.11346	1.2
197.16634	3.6
200.13982	5.4
207.14987	12.9
224.17616	5.6
225.16045	2.9
233.00618	0.7
241.13475	1.5
242.11725	1.1
242.18666	8.6
243.19073	1.0
259.14511	4.5
295.21317	6.0
312.17163	2.4
313.22333	3.4
330.18219	2.2
337.26013	6.4
347.20700	1.3
355.27023	2.7
425.25452	0.8
449.77667	0.7
539.39172	3.0
573.37781	2.1
673.97974	0.8
782.51776	100.0
783.52136	25.1
818.49646	9.3
819.49957	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	819.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	0.6
61.98827	18.9
63.63264	0.6
69.03454	0.8
71.01394	2.8
72.32577	0.6
80.96535	1.2
89.02470	2.1
91.52332	0.6
97.02967	1.6
101.02448	1.6
104.52882	0.6
111.00163	0.7
125.02457	0.9
126.68951	0.7
141.01697	53.6
142.02034	1.3
142.05089	2.4
144.67180	0.8
171.94701	0.8
212.73955	0.9
229.57426	0.9
235.08076	0.7
279.23236	6.8
280.23630	0.7
291.19611	0.9
361.23505	4.7
397.13550	9.5
398.13922	1.1
415.14661	2.1
419.11856	2.3
437.12698	3.3
438.12994	0.8
469.06512	1.6
576.43939	0.8
677.37524	1.2
699.35730	1.9
819.53394	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	820.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98826	100.0
62.98527	0.1
62.99265	0.1
71.01383	0.2
85.02953	0.1
91.42301	0.1
93.82137	0.1
101.02432	0.1
113.02497	0.1
117.81815	0.1
123.04504	0.2
129.37175	0.1
141.97809	0.1
153.05608	0.1
203.05681	0.2
221.06660	0.1
226.06424	0.3
241.08693	0.9
242.08954	0.1
247.04729	0.1
300.29800	0.1
314.44595	0.1
395.04230	0.1
496.18649	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	821.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72427	0.6
59.01380	0.7
61.98822	1.9
65.00293	0.6
69.35646	0.9
69.36051	4.1
83.01380	0.8
91.01876	1.1
93.03448	1.3
96.99303	2.0
104.84855	0.5
107.01360	1.7
108.02198	0.8
109.02952	0.7
119.05025	3.7
121.02950	1.5
123.04492	2.5
123.05355	0.4
124.01614	0.7
134.03709	2.5
143.05034	3.7
145.02943	0.7
146.03664	0.7
148.01675	1.3
151.00352	7.9
158.03746	1.4
159.04488	1.2
161.48874	0.5
163.00342	1.5
163.03979	2.2
173.06094	0.9
178.99847	3.6
193.04964	1.3
199.03941	0.6
216.04231	0.5
222.57985	0.5
226.02730	1.0
227.03590	1.5
229.05113	0.6
243.02942	6.3
245.04501	0.9
251.07094	4.5
252.07761	1.7
253.08719	0.7
254.02101	1.7
254.09456	0.9
255.02956	16.4
256.03217	1.3
271.02454	35.1
272.02786	2.7
273.03964	1.2
279.06668	1.3
280.07474	3.1
283.02292	0.9
295.09641	2.9
299.01825	0.9
300.02716	67.5
301.03461	31.6
302.03766	2.1
339.08728	1.2
357.09744	37.1
358.10046	3.8
463.08795	100.0
464.03012	1.0
464.09113	11.9
592.95697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98833	0.9
71.01379	0.6
73.02945	8.0
77.34280	0.2
78.81921	0.1
85.02955	0.2
89.02418	0.1
98.19938	0.3
99.00868	1.8
99.08164	0.4
99.92582	11.2
100.92588	0.5
101.02471	0.1
113.02385	0.1
114.93417	0.4
115.00384	0.4
116.92860	100.0
117.01936	15.1
117.92871	4.9
119.05057	0.2
123.04497	0.1
126.90684	0.1
127.07636	0.4
129.05562	0.7
130.05847	0.1
153.05598	0.5
177.30931	0.1
228.59077	0.1
383.09659	0.2
435.18668	1.4
436.19122	0.4
731.34558	0.1
822.11279	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	821.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01689	1.1
61.98827	58.4
63.16409	1.0
65.46769	0.9
70.33727	0.8
71.01380	2.8
78.91895	1.9
78.95898	21.1
80.96512	3.4
87.00879	0.9
89.02434	2.2
96.96973	1.8
97.02914	1.7
101.02390	1.9
119.03488	1.1
125.02508	1.2
126.26115	1.0
141.01698	53.8
142.01997	1.5
142.05118	2.0
147.64882	1.0
152.99580	19.0
187.05540	1.1
224.17340	1.1
277.21744	1.7
281.24942	5.9
291.19647	1.8
292.19962	1.9
293.21143	4.3
309.20819	1.5
363.25049	4.4
397.13556	10.4
415.14557	2.1
419.11508	2.4
437.12643	3.0
469.06400	2.5
679.39172	1.4
701.36981	4.0
731.37048	1.5
821.40735	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
57.17304	0.6
59.01377	5.9
61.98829	22.2
64.49119	0.7
69.03446	1.1
71.01373	5.8
71.05001	1.9
71.51021	1.0
71.51373	0.8
73.02935	0.9
76.49938	0.7
78.91876	0.7
79.62771	0.8
83.05007	1.0
85.02962	1.6
87.00858	0.8
88.98813	0.8
89.02449	4.6
95.05024	0.7
96.96014	1.1
97.02961	1.6
101.02450	5.7
109.06534	0.8
111.04503	1.0
111.08160	2.6
113.02424	2.9
119.03498	2.1
127.07655	0.8
161.04533	2.6
165.12868	1.8
169.12361	1.3
171.10304	1.7
179.14352	1.7
181.12305	1.2
195.13908	16.0
196.14262	1.2
197.11792	5.4
205.12430	1.6
211.13393	1.1
221.15445	4.3
223.13379	7.6
223.15399	1.1
233.15504	1.0
235.08244	2.4
236.25436	0.7
239.16504	1.8
247.20705	1.5
253.09274	31.5
254.09587	1.1
256.13214	0.8
273.18716	1.3
275.20218	5.2
291.19666	25.9
292.20004	2.9
293.21222	100.0
294.21564	9.4
302.50650	0.7
309.20694	72.5
310.21017	6.4
514.93768	0.8
545.29340	1.7
585.41406	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	822.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.08537	1.3
80.96521	0.5
86.31255	0.3
93.45897	0.3
94.90160	0.4
98.20541	0.4
162.50192	0.4
173.26195	0.3
206.93123	0.4
457.30606	0.3
651.31702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	64.4
60.01709	0.9
61.98831	3.4
68.42484	0.3
69.48162	0.9
69.48566	1.1
71.01385	1.9
71.57695	0.3
73.02948	0.8
82.59964	0.3
83.01399	0.4
85.02959	0.6
87.00860	0.3
88.98811	0.3
89.02454	0.4
89.47005	0.3
95.05013	0.4
96.96033	0.6
97.06609	0.5
99.04512	2.6
99.08145	0.4
101.02448	1.0
109.06567	0.4
113.02427	0.8
115.00338	0.5
119.05046	0.7
123.04535	3.2
127.07665	0.9
129.05605	0.9
153.05588	1.6
161.04601	0.9
163.04002	0.5
163.86490	0.3
165.12851	1.9
167.10739	0.4
171.06702	0.7
189.12888	0.5
195.08073	0.5
207.13881	3.8
209.11806	10.2
210.12172	0.7
221.06728	0.7
225.14944	4.5
227.12871	52.9
228.13162	3.8
251.12943	1.9
269.13928	13.8
270.14243	1.3
287.14978	42.0
288.15350	3.9
329.16116	0.6
378.16855	0.3
389.18195	0.6
405.78558	0.4
431.19141	0.9
439.16171	0.6
449.20261	1.0
457.17090	0.7
488.85855	0.4
519.23645	0.4
537.23431	4.8
538.23834	1.1
555.24426	100.0
556.24774	15.6
690.58710	0.4
823.26404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.6
59.01376	8.7
61.98811	1.7
69.03443	1.6
70.06307	2.1
70.67465	0.4
71.01382	8.6
72.77512	0.4
72.99296	1.3
73.02935	2.0
80.28641	0.4
83.01369	1.3
83.05019	1.4
85.02945	8.5
87.00872	2.3
88.65570	0.5
89.02435	5.8
89.29384	0.4
91.04031	0.4
93.53600	0.4
95.01416	0.8
95.05002	0.8
96.95996	1.6
97.02952	1.6
97.06607	3.3
98.19990	0.5
99.00860	0.5
101.02446	7.2
110.03735	0.6
113.02460	4.2
116.92867	0.5
119.03480	1.9
123.08257	0.6
125.09674	1.2
125.56951	0.5
127.11289	1.6
133.05103	1.2
137.09682	1.9
143.03484	1.0
145.05069	0.9
155.10774	1.9
161.04568	3.6
163.11278	0.5
165.12799	0.8
167.14494	0.6
171.10260	24.0
172.10620	1.0
175.11060	0.6
177.12868	1.1
179.05566	1.0
183.13893	4.3
185.11766	1.4
193.12267	1.3
195.13872	0.6
197.11803	1.5
201.11206	1.1
209.11816	1.6
211.13382	14.7
212.13718	0.6
221.11775	2.0
229.14429	8.6
235.08221	15.2
235.68652	0.5
236.08562	0.7
239.12814	1.5
253.09280	27.3
254.09584	1.1
277.21710	100.0
278.22079	9.0
291.16595	0.8
291.19656	6.7
292.20032	0.7
293.21173	0.6
295.22809	1.0
309.20691	16.3
310.20822	1.1
311.22235	0.8
327.21747	88.7
328.22043	8.2
351.21417	0.5
368.70035	0.5
405.69772	0.4
545.29346	2.9
563.30658	4.1
565.88336	0.5
587.43231	1.9
588.43140	0.7
733.37988	0.7
823.52283	2.7
824.51074	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	824.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.7
61.98817	6.6
65.76595	1.4
65.77959	1.1
71.01392	1.5
78.95895	8.0
80.02699	1.9
81.03447	3.7
83.01376	11.1
83.05032	5.1
95.05041	3.0
97.02965	4.0
97.06583	6.5
109.06605	1.4
119.08662	1.3
119.19523	1.3
121.06593	2.2
123.04523	5.7
123.08126	4.6
125.09732	15.9
135.08170	2.9
137.06078	1.8
137.09723	8.7
141.12869	1.4
149.04565	1.2
149.06046	2.8
149.45337	1.3
152.99574	3.1
160.91280	1.3
163.07600	1.7
163.11275	14.4
165.09190	1.5
165.12837	4.3
168.04286	1.5
171.10249	1.5
177.12903	1.5
181.12390	2.9
185.11803	13.1
191.10770	3.5
191.14413	13.6
207.10262	8.8
209.11813	83.6
210.12103	3.8
211.13367	2.5
217.16013	1.6
225.11252	6.1
226.12082	1.4
242.07962	3.0
245.19083	27.9
246.19449	2.1
263.20114	1.9
271.16965	3.8
277.21698	95.4
278.22113	8.4
279.19614	1.5
289.18088	100.0
290.18350	10.8
307.19125	91.1
308.19376	7.9
502.29318	42.9
503.29550	6.2
508.06302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35070	0.4
58.78263	0.4
59.01383	2.1
61.98831	4.1
69.49162	1.1
69.49587	1.4
71.01377	0.8
71.44900	0.3
75.01822	0.4
96.96003	0.7
98.20660	0.5
99.08113	0.4
101.02494	0.5
109.02948	0.9
119.05024	1.0
121.02929	0.9
135.04567	0.6
137.06071	3.1
141.64987	0.5
159.04526	0.8
159.32957	0.4
169.06581	1.2
171.10211	0.5
181.05066	17.9
182.05411	0.9
182.07343	2.0
183.04419	0.5
187.04028	1.2
188.04813	0.9
197.05959	1.9
197.11313	0.4
198.06850	7.8
211.13425	1.2
212.04886	0.4
225.05501	3.1
226.06339	68.3
227.06659	4.2
241.08685	100.0
242.09003	7.8
285.15039	0.5
287.12970	0.5
295.13501	0.8
313.14465	4.0
314.68195	0.4
331.15698	0.6
386.11481	1.0
401.14182	1.0
450.30515	0.4
481.16544	0.4
555.12726	0.4
567.24585	1.9
761.37341	2.7
762.37238	0.6
825.47485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.0
59.55333	0.7
61.68753	0.7
61.98826	24.5
70.60316	0.6
71.01376	15.2
72.99319	1.3
73.02939	17.6
83.01379	4.2
85.02950	4.3
87.00853	1.2
88.98853	0.8
89.02433	4.6
98.19840	1.6
101.02437	11.4
113.02427	4.6
119.03481	1.7
119.04981	0.7
123.04472	1.6
127.07658	1.1
146.01596	0.7
161.04529	0.9
165.12869	0.9
177.93565	0.8
221.06746	0.8
229.19476	0.8
230.03983	0.9
247.17044	2.0
261.32224	0.7
265.18039	5.7
273.18509	2.2
291.16672	1.2
291.19641	15.3
292.19962	1.4
309.20660	17.4
310.21039	1.7
427.34854	0.8
453.24792	2.8
455.71436	0.7
471.25986	16.6
472.26303	1.9
513.26978	100.0
514.27393	13.7
534.40723	0.8
632.49323	0.8
825.45532	0.9
852.54010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.2
59.01377	55.7
61.98829	17.3
69.03446	2.0
71.01379	33.6
72.99306	1.8
73.02942	30.3
75.00861	1.2
83.01382	8.8
85.02958	6.5
87.00872	2.3
88.98798	1.6
89.02435	9.9
95.01379	1.8
97.02957	1.2
98.19883	2.1
99.08192	1.0
101.02441	30.4
113.02442	12.2
115.00391	1.1
116.92867	3.9
119.03499	4.7
119.05003	2.0
122.46436	0.8
123.04506	5.3
125.02460	1.2
127.07640	3.3
129.05562	1.3
131.03473	2.2
134.03766	2.1
143.03510	2.4
149.04538	2.2
153.05544	2.7
155.03456	1.2
161.04506	5.9
163.04028	2.1
171.06622	1.3
179.05664	1.1
183.10223	1.3
193.05037	2.8
203.18042	1.2
221.06499	1.3
229.19576	2.7
247.17113	4.6
249.18593	1.0
273.18558	7.4
279.54309	1.0
291.19647	28.6
292.19800	1.4
293.21069	1.4
309.20636	2.3
327.22241	1.0
439.15994	1.1
453.24893	3.3
471.25931	17.0
472.26074	2.3
495.26038	1.9
513.26996	100.0
514.27405	16.4
588.07666	1.1
621.54395	0.9
674.22388	1.0
759.91077	1.1
780.85437	0.8
825.45105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.9
61.98832	23.7
62.08831	1.1
69.92027	5.4
71.01380	35.0
72.99307	1.6
73.02950	9.0
75.00858	1.8
82.87305	1.1
83.01381	5.7
85.02946	14.8
87.00877	2.2
88.98782	1.6
89.02444	10.9
95.01365	2.5
96.96008	3.6
97.02919	1.7
97.06575	1.4
99.00860	3.5
101.02440	28.5
111.54117	1.1
113.02457	13.3
114.00894	1.1
116.92928	1.0
119.03493	3.9
123.04504	4.3
125.02423	3.6
127.07654	1.7
129.05542	1.5
143.03476	1.9
147.04472	2.2
153.05516	1.7
161.04526	4.2
238.06241	1.3
240.74242	1.1
264.08060	1.3
327.05588	1.2
438.61963	1.2
439.35849	1.5
457.36981	3.1
471.26044	1.2
483.34818	5.2
484.35251	1.7
619.42072	1.4
645.39844	2.1
807.45428	7.1
808.44763	1.4
825.46466	100.0
826.46741	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.79266	45.6
78.95899	12.7
93.10594	8.8
96.72401	9.5
98.20016	10.3
116.92858	16.5
159.34575	9.5
192.63722	8.9
298.03238	10.2
299.16797	9.9
573.30634	11.9
784.55096	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	825.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.54478	64.3
69.54889	41.3
78.95925	24.0
98.19977	27.3
147.97754	16.2
191.30501	17.0
205.85406	18.0
252.45276	16.6
277.21707	36.5
293.21204	37.8
410.83014	17.0
784.21014	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	825.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98817	1.4
71.01382	0.5
71.50272	0.4
116.92843	0.5
133.41336	0.4
200.46132	0.3
257.78809	0.4
259.20505	0.4
265.70343	0.3
268.91016	0.3
275.19940	0.4
277.21695	100.0
278.22031	9.5
279.23264	15.0
280.23642	1.2
327.21710	1.2
360.93005	0.3
389.07303	0.3
463.61624	0.4
496.58527	0.4
499.00531	0.4
631.13855	0.3
660.00085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.0
61.98833	60.2
71.01385	14.7
72.99327	2.9
74.93556	2.3
85.02934	7.3
87.00875	3.0
88.98819	2.5
89.02441	7.6
89.30046	2.2
95.05026	5.2
96.96026	3.8
99.08166	49.1
100.08509	2.7
101.02449	6.3
109.06507	3.1
110.78978	2.0
113.02429	6.4
115.00352	4.3
115.33293	1.9
119.03489	3.9
119.05003	6.2
123.04530	100.0
124.04826	4.0
127.07655	74.0
128.07993	3.1
129.05579	44.3
132.38847	2.1
133.78500	2.3
153.05585	77.4
161.04546	2.8
163.03981	6.3
171.06709	12.7
179.05565	2.6
189.07640	2.3
191.28154	2.6
226.06387	4.1
229.09885	2.4
241.08635	6.8
247.68202	2.4
258.45120	2.6
327.10773	6.3
435.27573	2.2
439.16013	9.6
457.17172	54.1
458.17377	7.2
462.31708	2.6
499.18259	92.1
500.18481	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	827.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.7
61.98827	20.3
69.03434	1.2
71.01380	20.4
71.05005	1.2
72.99310	1.6
73.02942	14.0
83.01406	4.5
85.02941	5.9
87.00851	3.6
88.98840	1.2
89.02445	6.2
95.01394	0.9
95.05042	0.8
96.96007	1.5
99.00851	1.6
99.08133	1.4
101.02434	15.1
113.02454	5.5
116.92842	1.4
119.03477	2.8
121.02963	1.2
123.04508	7.2
125.02467	1.2
127.07654	2.7
129.05579	1.6
131.03445	1.1
135.02873	1.1
147.04506	2.7
153.05556	2.9
161.04530	2.0
163.69698	0.9
179.05559	1.2
209.11931	1.3
211.13417	1.8
223.16980	3.6
235.16995	4.4
275.20065	6.5
293.21213	6.5
311.22229	6.6
323.28534	1.0
366.13562	0.8
455.26263	5.5
457.16946	1.1
470.60776	1.0
473.27505	26.3
474.27942	4.0
515.28564	100.0
516.21960	1.4
516.28949	14.4
663.80859	1.1
827.47424	4.2
841.56873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.87321	0.4
60.01706	1.0
61.98829	0.9
71.01379	11.2
73.02955	4.0
83.01398	2.0
85.02958	3.7
89.02448	3.9
89.46336	0.5
93.03485	0.6
97.35993	0.4
101.02435	6.2
113.02446	4.7
115.00356	2.5
118.49142	0.4
119.03535	1.8
119.05034	2.6
123.04549	1.5
124.14832	0.4
124.89575	0.4
125.02448	0.5
133.01436	0.5
143.03532	1.4
143.05048	0.6
149.04593	0.6
161.04567	4.1
163.04033	1.8
179.05640	1.6
203.05684	1.4
208.20064	0.5
209.15506	0.7
221.06926	0.5
283.09741	0.5
284.14832	0.5
327.08566	2.7
371.20901	1.7
379.75204	0.5
383.10056	1.5
411.13040	0.4
413.21875	3.7
477.10562	1.0
581.21143	0.5
616.13525	0.5
811.37311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.9
59.01376	41.2
61.98832	6.9
69.03436	1.1
71.01379	48.5
72.01711	1.0
72.99290	3.0
73.02944	9.7
73.65620	0.6
83.01378	5.7
85.02941	18.8
87.00893	4.1
87.80990	0.6
89.02441	33.1
95.01372	4.2
96.96007	1.7
97.02937	1.6
99.00868	3.7
99.08156	1.4
101.02438	36.6
101.34293	0.7
111.00896	0.7
113.02441	19.3
114.02760	0.9
119.03493	13.3
123.04517	1.8
125.02409	3.0
129.05548	2.2
131.03493	3.1
143.03487	3.8
147.04472	1.4
149.04480	1.1
153.05515	0.8
159.03024	1.8
161.04532	14.6
162.05048	0.7
179.05606	14.5
189.07597	1.4
213.05846	0.7
221.06619	5.2
228.95349	1.0
257.55011	0.7
323.09723	1.0
365.27969	0.8
433.09000	0.7
543.16638	0.7
547.36182	2.1
709.41620	100.0
710.41943	22.7
730.89313	0.8
767.46478	3.3
768.45825	1.2
827.47662	1.3
854.71960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	1.0
68.71794	0.6
71.01379	18.3
72.01734	1.1
72.99332	1.8
73.02937	5.1
83.01399	2.4
85.02934	3.7
87.00887	0.6
89.02444	3.3
93.03487	1.2
95.01408	0.7
95.34282	0.5
99.00854	1.1
101.02438	8.0
107.58576	0.7
111.00930	0.7
113.02454	4.6
115.00367	14.6
115.01164	0.9
116.00731	2.5
117.00791	1.2
119.03530	2.3
119.05019	8.8
120.05373	2.8
123.04529	9.1
124.04892	1.7
131.03526	0.5
133.01442	2.4
143.03546	0.8
143.05026	0.7
161.04561	3.6
163.03992	3.4
164.04362	1.4
165.04559	0.6
179.05609	1.1
187.47745	0.6
207.13994	1.0
209.00800	0.7
221.06842	0.7
238.09683	0.5
239.10637	0.6
251.83702	0.5
269.10474	1.9
283.09814	1.4
285.10092	0.9
311.11389	1.1
327.08682	6.8
327.11829	0.6
328.09006	4.6
329.09314	3.4
351.18204	1.8
369.19052	9.6
370.19757	1.1
383.09821	4.0
384.10178	4.9
385.10303	3.4
387.20166	11.5
388.20581	1.4
401.10840	5.7
402.11157	5.6
403.11295	3.9
429.21252	6.8
430.21552	1.1
537.02216	0.6
663.58954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
59.01377	33.6
61.98827	22.5
69.03466	0.7
69.23092	2.4
69.23518	2.3
71.01381	19.5
72.99301	1.6
73.02947	9.8
74.76139	0.6
83.01370	3.3
85.02950	5.3
87.00872	3.5
89.02444	8.9
95.01385	2.1
96.95971	0.6
97.02950	0.8
97.54494	0.5
99.00883	1.0
99.08099	0.6
101.01792	1.1
101.02438	13.8
113.02451	7.0
119.03489	3.4
119.05013	0.9
123.04533	1.5
125.02422	1.3
127.07639	1.1
129.05548	0.8
137.28221	0.5
147.04521	1.0
153.05502	1.2
161.04616	1.1
179.53091	0.5
183.13846	1.2
277.21722	0.6
277.57770	0.5
295.22784	17.5
296.23019	1.9
297.24405	0.8
313.23856	4.6
423.10095	0.5
457.27988	7.1
458.28247	1.2
475.29053	31.9
476.29285	4.9
505.33533	1.3
517.30133	100.0
518.30463	14.4
532.60516	0.7
543.26428	0.7
561.34412	2.2
612.69556	0.6
681.36835	1.3
829.47516	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	831.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.1
63.02393	1.7
65.00315	1.3
69.21771	8.2
83.01386	2.2
93.03453	2.0
107.01378	4.9
119.04996	1.7
133.02997	1.3
135.04610	0.9
151.00360	15.5
152.00693	1.6
161.02473	2.4
163.00375	0.8
163.03973	1.4
164.01167	1.2
169.01453	1.1
190.00214	0.8
211.07635	3.7
227.03537	2.3
237.09210	4.3
255.02988	11.9
256.03433	1.5
257.04630	4.1
264.07892	1.2
265.08823	1.3
269.04578	1.2
283.02484	27.4
284.03244	40.8
285.04025	47.6
286.04376	3.6
297.04037	3.3
327.05197	4.2
446.08533	5.1
447.09311	100.0
448.09708	11.0
489.14481	10.8
490.14151	1.2
609.14618	54.1
610.15051	9.4
638.42200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.2
59.01377	3.1
61.81818	0.1
71.01380	0.3
72.99302	9.8
73.17310	0.1
75.00867	3.5
76.41777	0.1
78.07540	0.1
85.02975	0.1
87.00832	0.1
96.96071	0.1
99.08156	1.5
101.07835	0.1
103.00378	1.5
104.00743	0.2
105.01928	100.0
106.02272	1.5
123.04513	3.3
124.04839	0.3
127.07645	2.5
127.69222	0.1
129.05559	1.5
153.05569	2.1
154.05954	0.2
161.04582	0.2
171.06621	0.3
189.07593	0.2
269.83606	0.1
285.09772	0.8
322.68237	0.1
343.97540	0.1
365.22354	0.2
457.17102	11.4
458.17416	2.1
459.17697	0.6
517.11871	0.2
556.10675	0.1
740.28802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
59.21081	1.0
69.52931	2.4
69.53351	3.5
71.01382	1.4
78.95901	90.5
79.95733	1.6
80.96526	7.6
83.05069	0.8
94.98099	0.9
96.71520	0.9
96.96370	1.6
96.96959	19.0
100.99385	0.8
122.97562	2.0
124.49200	0.9
148.99080	0.9
152.98399	1.3
152.99582	22.8
164.98660	1.0
223.00136	8.0
225.00636	1.2
232.97472	1.0
241.01155	36.1
255.23264	67.8
256.23557	4.8
259.02182	3.1
277.21692	36.6
278.21985	3.9
297.03830	1.4
331.50549	0.9
340.55377	0.9
379.77832	0.9
391.22476	10.3
537.24622	0.9
553.27850	8.4
575.27002	1.2
831.50171	100.0
832.50470	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5186
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01358	4.2
70.96542	1.6
70.96878	1.9
73.23763	1.4
76.34736	1.3
78.95905	76.4
80.96517	2.5
96.96962	19.5
121.12814	1.3
127.44198	1.3
141.01787	1.6
152.99597	23.2
182.11491	1.2
223.00046	7.0
225.00809	1.4
232.97549	2.1
241.01224	31.6
255.23277	48.7
256.23624	7.3
259.02338	1.9
277.84280	1.6
279.23267	46.2
280.23636	4.2
297.03702	2.5
361.20413	1.3
391.22598	6.2
405.82950	1.4
467.61395	1.5
553.27783	4.5
598.25317	1.3
602.84668	1.5
652.82074	1.4
833.51740	100.0
834.51996	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
61.98816	1.0
70.34399	0.2
70.37099	0.2
70.64414	0.6
70.64793	0.4
71.01359	1.1
72.38425	0.2
85.02946	0.4
89.02431	0.8
97.36982	0.3
101.02431	0.9
110.27001	0.2
113.02440	0.7
114.72119	0.2
146.03580	0.2
170.81483	0.2
180.62337	0.2
187.24274	0.3
235.08185	0.8
253.09261	4.3
254.09682	0.3
259.20697	0.4
277.21692	100.0
278.22012	9.9
415.51398	0.3
505.53333	0.2
513.30579	0.5
745.30927	0.3
833.50946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.0
61.09809	0.2
61.98825	1.7
67.30179	0.3
69.90015	0.3
70.84711	0.6
71.01374	1.4
78.95898	1.4
85.02956	0.6
87.00858	0.2
87.45351	0.2
88.53548	0.2
89.02441	1.1
95.01385	0.4
96.96980	0.3
101.02452	1.3
106.58537	0.2
113.02392	0.6
119.03447	0.3
127.07621	0.3
152.01392	0.3
161.04518	0.4
179.05519	0.3
233.22755	0.3
235.08185	1.4
241.01189	0.5
253.09323	4.7
255.23291	0.7
259.20834	0.3
275.20200	0.4
277.21707	100.0
278.22052	9.7
279.23035	0.6
312.65918	0.3
513.30426	0.3
578.30402	0.3
833.51141	1.4
834.51404	0.4
849.85382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	1.9
59.01380	52.8
61.98831	100.0
63.94663	1.8
64.67515	1.8
69.03439	1.6
71.01384	43.5
71.50828	3.0
72.99319	2.5
73.02949	9.5
76.19317	1.5
78.95911	3.1
83.01384	8.5
83.05022	16.4
85.02962	19.4
87.00871	4.2
89.02454	8.3
90.24898	1.6
95.01409	3.7
96.96001	3.0
97.02972	2.5
99.00868	6.2
99.04522	2.6
101.02439	33.4
111.00902	2.0
111.04520	11.2
113.02454	12.7
116.92880	2.6
119.03533	2.9
125.02435	4.5
127.04022	16.5
127.07630	3.4
129.05573	17.3
141.09198	3.0
152.04791	2.1
159.03008	1.7
161.04550	4.5
191.94641	1.8
211.13391	1.9
301.87366	2.0
387.13095	2.0
405.50650	1.9
407.35077	2.2
425.87073	1.9
439.27560	2.1
501.34412	2.1
569.40472	7.5
595.39008	11.0
613.60095	1.9
645.38806	6.4
646.38513	2.1
647.39539	1.9
705.40735	3.0
731.45703	26.5
732.45752	5.6
757.43768	73.8
758.44031	15.5
773.46686	3.6
775.44458	5.1
817.46057	22.0
818.46216	6.0
835.46625	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	836.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64874	0.1
61.98829	100.0
62.98528	0.2
70.16575	0.3
71.01392	0.4
73.02948	0.1
78.98597	0.3
79.95731	0.5
80.96517	2.9
83.41782	0.1
84.52144	0.1
85.02962	0.1
85.91454	0.1
87.00911	0.1
94.98091	0.6
97.02997	0.1
101.02413	0.1
115.85614	0.1
122.97611	0.2
125.02464	0.1
134.97575	0.1
148.99133	0.2
164.98601	0.4
225.00716	0.4
277.21707	0.1
437.52979	0.1
781.14465	0.1
837.48218	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	836.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98541	0.1
63.65273	0.1
71.30135	0.2
131.54050	0.1
170.55293	0.1
648.55432	0.1
852.44897	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	837.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.7
59.01379	55.6
61.98542	0.9
61.98831	14.9
69.03459	2.6
71.01381	53.0
71.49878	1.0
72.99308	5.0
73.02945	3.8
75.00855	1.0
80.96536	1.0
81.03458	1.6
83.01385	4.6
83.05019	1.0
84.02219	0.8
85.02457	1.3
85.02951	19.4
87.00890	7.7
89.02447	46.5
95.01392	5.0
95.05011	0.8
96.95998	1.2
97.02938	8.4
99.00873	2.5
101.02441	32.8
102.02757	0.7
108.43085	0.6
109.02946	1.9
111.00864	0.9
111.04536	1.8
113.02448	20.9
114.02840	0.8
115.04018	0.8
115.92142	0.7
119.03515	12.9
121.02931	0.7
123.00908	0.8
123.30988	0.6
125.02448	22.3
127.07563	1.1
129.05630	1.3
131.03490	2.0
133.75375	0.9
137.02417	1.3
139.03909	1.2
143.03491	5.8
149.02458	1.2
149.04556	1.3
161.04541	6.8
167.03500	1.3
179.05612	16.3
189.07716	1.2
209.04720	0.6
211.69620	0.8
221.06729	3.2
235.08328	2.3
247.08200	7.5
255.06662	1.7
259.08124	1.0
277.21713	21.4
278.22049	1.5
287.07855	1.4
305.08801	0.9
357.35983	0.7
379.12378	5.0
397.13538	6.9
415.14496	3.4
533.42017	0.7
541.17590	1.3
559.18756	100.0
560.19086	12.9
577.10712	1.6
577.19788	27.6
578.20209	3.1
671.23126	2.9
833.42920	0.8
837.41077	8.3
837.54114	0.8
838.41742	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.1
59.01376	47.9
60.01694	0.7
61.98825	5.7
67.01894	0.6
68.99821	0.8
69.03445	2.4
70.34613	1.4
71.01376	49.7
71.03328	0.4
72.01704	1.0
72.99303	3.9
73.02944	6.1
75.00855	0.7
81.03455	1.4
83.01380	5.1
84.02163	1.0
85.02943	36.2
86.03313	0.8
87.00872	13.2
87.04501	0.9
87.39701	0.3
89.02439	33.4
90.02749	0.5
94.30671	0.5
95.01380	13.6
97.02949	4.7
97.37213	0.4
99.00880	2.5
99.04518	1.0
101.02436	28.8
103.00346	0.5
109.02982	1.0
111.00851	0.7
111.04517	0.6
112.01676	0.6
113.02444	66.2
114.02782	1.3
115.03988	1.1
119.03495	8.3
123.04486	0.5
125.02436	10.4
127.03988	0.6
128.53384	0.4
129.01892	0.6
131.03505	1.7
137.02448	1.0
139.03993	0.8
141.01904	0.5
143.03491	13.9
144.03781	0.5
149.04597	0.8
151.03947	0.4
160.71298	0.4
161.04550	20.6
161.05908	1.0
162.04959	0.6
167.03526	0.5
179.05608	9.4
209.04524	0.5
217.07196	0.6
221.06619	1.4
235.08186	8.4
247.08171	2.0
253.09216	3.8
277.21701	21.8
278.21964	1.8
287.07745	0.5
305.08725	1.3
323.09650	0.7
350.93539	0.4
361.11212	1.1
365.10806	0.7
379.12488	1.5
383.11896	1.6
397.13480	8.3
398.13647	0.8
415.14545	9.0
416.14609	0.6
449.13022	1.3
467.13834	1.1
483.80411	0.4
485.14853	1.4
541.17578	1.5
559.18713	100.0
560.19135	10.6
577.19788	27.5
578.20160	2.4
632.40936	0.5
837.40839	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	837.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.1
59.01380	55.2
60.01705	0.8
61.98832	15.5
68.99801	0.6
69.03455	3.5
71.01385	52.3
72.99315	5.2
73.02939	3.0
75.00854	1.3
80.96513	0.9
81.03470	1.0
83.01418	4.5
85.02954	20.6
85.03469	1.0
87.00885	7.2
87.04551	0.7
89.02447	50.0
95.01390	3.8
95.78455	0.7
96.96022	1.1
97.02953	7.7
97.51339	0.7
99.00879	2.4
101.02445	31.8
102.02776	0.8
109.02960	0.8
111.00888	1.0
111.04536	2.2
113.02460	20.6
119.03500	12.8
121.02989	1.0
123.04476	0.8
125.02452	24.8
127.04025	0.8
129.05569	1.0
131.03539	2.9
137.02489	0.7
139.04012	1.6
140.45090	0.6
143.03494	6.9
145.14981	0.6
149.02498	1.3
149.04536	1.7
158.73416	0.7
161.04555	7.4
165.05582	1.0
167.03519	2.2
179.05617	13.0
188.24832	0.7
189.07722	1.2
199.06010	0.8
217.07060	0.7
221.06641	3.1
235.08174	1.4
247.08224	7.3
255.06694	1.2
259.08289	1.0
277.21719	24.2
278.21924	2.3
287.07788	1.8
291.19635	0.8
292.20374	0.9
303.57782	0.7
305.08820	2.2
309.20743	0.7
351.17221	0.7
379.12396	6.2
396.68439	0.6
397.13559	8.4
415.14435	5.0
541.18201	1.3
559.18756	100.0
560.19122	11.1
577.19873	27.2
578.20422	3.2
671.22754	4.8
672.22412	0.8
837.41010	11.8
838.41998	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	837.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	9.1
62.44511	1.0
69.71778	7.3
95.05009	2.3
99.08151	25.6
123.04523	100.0
124.04801	3.6
127.07651	43.8
129.05573	23.2
138.03247	1.3
149.02304	1.1
153.05574	54.8
154.05898	2.3
161.68556	1.0
171.06612	11.7
189.07626	1.4
255.23209	1.7
523.32697	4.4
524.33533	1.4
695.39899	17.7
696.40277	3.4
744.88416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
61.98830	7.6
63.73271	0.6
66.19550	0.6
69.19328	7.0
71.01376	4.9
71.04973	0.8
72.23193	0.6
73.02942	1.0
78.95896	2.8
83.01388	0.8
85.02938	1.1
87.00853	0.9
89.02435	2.6
96.95980	1.2
97.02969	0.9
101.02424	4.5
108.53715	0.7
109.06596	1.5
111.08158	7.5
113.02449	1.5
123.08176	0.8
125.09734	0.6
127.07657	1.1
139.77159	0.6
143.03474	0.7
152.99553	1.2
161.04578	2.1
162.80620	0.7
165.12871	1.6
167.14453	1.0
169.12404	3.1
181.12302	1.5
195.13860	2.6
197.11819	38.8
198.12134	1.9
199.13405	2.4
211.13380	7.1
221.15495	1.9
223.13377	1.3
235.08202	3.2
247.20720	1.2
253.09267	17.5
263.20120	1.8
265.17975	1.2
273.18701	1.5
277.21771	1.5
281.21060	0.9
291.19647	29.3
292.19913	3.2
293.21097	1.4
309.20700	100.0
310.21027	8.8
400.89099	0.8
412.88312	0.7
511.63474	0.7
527.28632	1.1
545.29608	6.5
546.29883	0.8
601.41333	1.3
671.28070	0.7
837.49994	3.0
838.49542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.83756	0.2
70.84066	0.2
78.95914	0.5
80.96511	0.6
84.12029	0.1
92.35201	0.2
163.43466	0.1
196.89542	0.2
280.23569	0.2
457.45593	0.1
709.26581	0.2
838.45990	0.2
839.50427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.0
61.98829	4.0
65.78895	0.5
70.09723	2.1
71.01396	0.7
93.49392	0.5
108.02156	2.7
116.92865	1.1
120.67893	0.5
121.02946	1.0
123.04493	2.7
134.03763	0.5
141.09407	0.6
157.66411	0.6
159.04497	0.5
160.05359	1.1
187.04066	0.7
188.04825	1.0
203.07123	3.7
207.08133	0.7
217.06619	0.7
219.08250	0.9
223.07610	0.7
233.06105	1.0
234.07062	0.7
235.07666	1.0
249.05510	0.6
250.06453	0.7
251.07063	3.2
261.05527	3.5
262.06351	2.1
263.07144	3.4
264.04431	1.3
264.07794	0.9
277.08694	0.7
277.21704	55.9
278.06073	0.7
278.09534	3.1
278.22079	5.3
279.06610	12.3
279.09662	1.1
280.07208	1.3
291.06598	1.2
293.08173	0.9
294.08990	10.0
294.12201	0.7
295.09592	1.0
306.09579	0.6
309.11295	46.9
310.11649	5.3
339.08261	0.7
339.12357	12.9
340.12912	1.6
387.61475	0.6
485.37051	0.7
599.34552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98168	13.7
61.98830	100.0
63.77197	11.2
68.53525	13.2
71.13700	25.2
71.62836	13.7
116.92885	56.9
117.92901	15.3
191.04147	11.8
223.85715	12.5
262.05612	11.6
277.21677	73.1
278.22321	13.4
289.18079	41.9
321.23038	11.7
343.24969	35.2
365.40091	13.8
576.83087	13.4
581.44214	12.5
698.25598	13.7
839.47784	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	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
61.98830	2.7
63.08931	0.3
69.03437	0.9
71.01386	1.9
71.05011	1.8
73.02940	0.6
80.96494	0.5
81.03449	0.4
82.91367	0.4
83.05019	1.6
85.06583	1.6
87.04491	0.8
89.02426	1.0
95.05000	0.5
95.07253	0.5
96.96014	0.9
97.02958	2.5
97.06585	1.2
97.50022	0.4
99.08133	0.4
101.02443	0.7
109.06567	1.6
111.04520	0.7
111.08144	1.0
117.36943	0.4
121.06559	0.4
123.04504	0.5
123.08161	0.4
125.09684	0.9
127.07650	1.0
135.08092	0.4
137.09695	0.7
147.04495	1.6
163.11252	0.8
165.12833	1.6
167.10788	0.7
169.12193	0.4
171.10280	1.9
177.12737	0.5
179.14372	1.4
181.12364	0.9
183.13956	0.4
193.12311	0.7
195.13889	8.3
196.14182	0.5
197.11839	2.6
197.20903	0.4
205.12280	0.9
209.11786	0.7
211.13394	0.7
217.15874	0.8
219.13779	0.4
221.15465	6.8
221.53859	0.4
223.13400	5.1
227.12816	0.6
233.15445	0.6
234.27727	0.4
235.16995	0.7
239.16531	1.7
247.20570	1.8
251.16640	0.6
253.09232	0.5
273.18564	1.1
281.21075	0.7
284.37683	0.4
289.17862	0.6
291.19647	26.8
292.19989	2.2
293.21191	1.9
309.20688	100.0
310.21014	9.4
549.83295	0.4
623.40149	0.4
631.36609	0.5
797.45062	0.5
803.47656	0.5
839.46631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.98827	100.0
62.98532	0.2
65.31814	0.1
71.01390	0.4
71.50293	0.2
85.02983	0.2
88.98842	0.2
90.98574	0.1
99.08169	0.3
101.02414	0.2
121.02918	0.1
123.04503	0.2
127.07655	0.6
129.05562	0.5
141.71394	0.1
153.05562	0.4
153.99298	0.1
171.06671	0.3
189.07687	0.6
521.71356	0.1
571.20813	0.2
777.46704	0.2
840.45807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.98827	100.0
62.98532	0.2
65.31814	0.1
71.01390	0.4
71.50293	0.2
85.02983	0.2
88.98842	0.2
90.98574	0.1
99.08169	0.3
101.02414	0.2
121.02918	0.1
123.04503	0.2
127.07655	0.6
129.05562	0.5
141.71394	0.1
153.05562	0.4
153.99298	0.1
171.06671	0.3
189.07687	0.6
521.71356	0.1
571.20813	0.2
777.46704	0.2
840.45807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.6
60.04364	0.9
68.28780	1.1
68.99571	23.5
71.01378	19.2
71.50663	1.1
72.99305	11.3
85.02971	1.6
95.05044	1.3
99.08163	21.0
101.02467	1.7
109.06551	1.1
112.98559	20.8
113.02429	1.3
113.98924	1.4
114.93382	6.8
115.00392	9.8
123.04519	60.7
124.04834	2.0
127.07652	35.8
129.04657	0.9
129.05569	26.1
153.05563	27.0
161.04544	4.1
167.32458	1.1
171.06618	7.3
186.25348	1.2
189.07727	2.7
207.59290	1.0
259.04544	1.0
285.09750	4.9
371.08194	0.9
445.22501	1.0
457.17133	100.0
458.17410	13.9
573.21661	4.0
841.27368	4.6
842.28516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
59.64243	0.4
61.98825	7.5
68.99567	0.7
71.01381	13.9
71.50805	0.5
72.99309	6.6
73.02932	1.3
83.01407	0.5
85.02930	1.2
87.00848	0.6
88.98828	0.6
89.02426	1.3
93.03462	0.6
95.05029	1.3
96.96033	0.6
99.08155	22.9
100.08495	0.6
101.02440	1.4
109.06566	0.6
113.02429	1.8
115.00355	4.5
116.92843	2.4
119.03448	0.6
119.04993	0.9
121.02980	0.7
123.04519	57.3
124.04848	2.3
124.94769	0.5
127.07647	34.1
128.07936	1.1
129.05577	24.8
130.05887	0.7
131.03513	0.5
133.01434	1.0
138.03215	0.9
153.05569	27.7
154.05870	1.0
159.02957	0.5
161.04527	3.2
163.04053	0.8
171.06613	5.9
175.02464	0.7
189.07649	1.8
285.09814	3.8
439.16180	0.8
448.05475	0.5
457.17117	100.0
458.17480	12.4
529.26581	1.0
839.03876	0.5
841.27362	2.9
842.28101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.487
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53689	14.2
61.98821	39.1
67.95461	13.4
69.84754	79.1
71.14513	16.3
89.08544	14.2
107.32405	14.8
110.18798	15.3
194.76039	17.1
277.21689	100.0
309.20789	45.7
640.86719	16.4
699.46954	17.6
841.49738	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.8
61.98827	15.4
69.03465	2.3
71.01377	46.6
72.99279	2.5
73.02946	14.7
75.00893	1.3
81.03476	1.2
83.01385	6.9
85.02944	22.4
87.00863	3.4
89.02444	18.4
92.90036	1.2
95.01360	3.4
96.95980	2.3
97.02921	2.6
99.00873	4.7
101.01810	2.3
101.02442	38.6
101.67421	1.2
111.00890	1.6
113.02446	17.7
116.92825	1.5
119.03480	6.9
119.04227	1.6
125.02415	4.2
143.03513	3.3
147.04494	3.3
159.03081	1.4
161.04539	10.2
179.05592	4.7
214.43161	1.0
244.00148	1.1
245.06421	1.4
263.07626	2.2
284.15790	1.4
309.20764	1.4
311.22092	1.2
323.09726	3.1
332.63745	1.2
389.33167	1.2
619.42108	12.2
620.42053	3.5
781.47363	100.0
782.47821	26.1
841.49902	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	843.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01733	0.7
61.98825	1.5
69.26122	2.6
69.26559	3.3
71.01384	10.6
73.02958	1.4
77.77912	0.7
83.01386	0.8
85.02959	2.9
87.00901	1.3
89.02441	5.1
93.03468	1.1
96.96016	0.8
99.00887	1.2
101.02448	5.6
101.73795	0.8
108.59820	0.6
113.02434	4.4
119.03544	1.8
119.05027	1.8
123.04494	1.7
161.04567	2.2
195.08157	1.2
197.33037	0.7
221.09715	2.0
369.19287	0.8
387.20309	7.2
429.21207	9.5
429.26471	0.8
430.21655	1.2
447.10110	0.9
454.99918	0.8
473.14380	6.4
474.14816	1.8
556.95520	0.8
681.36304	1.2
842.64362	0.8
843.42303	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	845.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	40.1
61.98814	1.4
67.84366	0.7
71.01378	56.5
71.51125	1.0
72.01711	1.6
72.99306	12.1
73.02926	1.1
77.60783	0.8
85.02932	1.9
89.02426	4.1
91.47179	0.6
93.03452	16.0
95.05040	1.3
96.99318	1.9
101.02424	2.5
105.08919	0.7
111.00857	3.1
113.02416	2.4
115.00365	93.5
116.00707	2.5
119.05030	5.8
121.02967	1.2
123.04517	50.6
124.04869	2.3
133.01424	72.4
133.06566	0.7
134.01768	2.3
145.06596	1.6
149.02451	0.8
149.06026	2.9
161.04527	3.3
163.04008	1.0
169.06595	2.7
182.07329	4.8
183.08047	1.1
195.08118	7.8
196.08717	1.5
197.09698	36.4
198.10080	2.7
198.88564	0.7
211.07600	2.0
211.11304	3.9
213.12794	7.5
223.07643	2.0
227.10710	1.4
239.10719	9.5
241.08672	2.3
245.11653	1.1
257.11798	7.7
277.05588	0.9
283.09698	14.1
284.10001	1.2
285.09763	8.6
301.10782	59.0
302.11197	4.9
323.09293	0.9
345.09735	30.9
346.10202	2.4
363.43372	0.8
383.09787	26.5
384.10043	1.8
401.10837	100.0
402.11279	9.1
461.10944	2.5
613.19440	2.0
711.18988	2.3
729.20148	3.8
845.41565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.4
60.99296	2.8
61.98830	4.8
69.49366	4.9
71.01379	52.4
72.99315	10.8
76.38363	0.8
85.02955	2.1
85.28696	0.9
88.98805	13.5
89.02435	2.9
93.03453	10.8
95.05048	1.1
96.99307	1.5
99.00877	1.4
101.02431	2.3
109.21992	0.8
111.00878	2.1
113.02481	1.3
115.00368	79.0
116.00684	1.6
117.03502	1.1
119.05015	6.3
123.04517	47.9
127.07633	3.4
133.01421	57.4
133.06625	1.5
143.05006	0.8
145.02921	3.3
145.06546	1.0
149.06067	2.8
150.34662	0.8
153.05568	1.2
158.96365	1.0
161.04512	3.7
163.03990	2.7
164.67171	0.9
165.05522	1.9
169.06535	2.7
171.06604	1.4
182.07259	4.1
183.08183	1.6
185.09694	0.9
195.08182	4.5
197.09698	31.7
198.10117	1.7
199.47223	0.8
211.07596	2.1
211.11237	3.7
213.12807	5.9
223.07632	6.2
225.56232	0.9
227.10658	0.9
239.10770	6.3
241.08690	10.5
245.11760	1.0
257.11801	11.9
267.47424	0.9
283.09735	10.5
284.10040	1.4
285.09753	8.3
301.10785	43.5
302.11096	3.6
327.08575	1.0
345.09732	35.0
346.10138	3.0
351.12949	2.7
352.13260	1.6
383.09799	24.2
384.10202	2.2
401.10837	100.0
402.11200	8.9
461.11005	1.2
613.19666	2.0
656.80798	0.8
729.20538	3.5
804.20758	0.9
845.45343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
59.64750	0.7
61.98813	3.0
69.97604	3.2
71.01384	10.9
73.02960	0.8
85.02950	0.9
87.00853	1.2
89.02444	2.0
101.02467	2.0
102.64307	0.8
105.01922	0.9
122.03712	8.8
123.04507	1.7
135.04506	3.3
146.03703	4.3
147.04507	7.3
149.06079	1.8
150.03181	0.8
159.04507	5.3
160.05209	1.5
161.02428	1.0
161.06056	1.7
162.03239	7.2
162.06880	11.0
163.03880	0.8
172.05283	1.7
173.06026	1.2
174.03171	2.4
175.07585	1.1
185.06024	0.9
185.24785	0.7
186.09337	0.9
187.03976	7.2
188.04797	8.8
188.08315	1.0
203.10681	0.8
225.12755	0.8
231.13795	2.6
233.15451	1.8
241.12265	1.8
244.10959	0.9
255.48108	0.8
259.13367	100.0
260.13742	7.9
261.14755	1.0
269.11856	5.3
269.15115	0.9
275.12781	1.0
277.14435	40.6
277.21652	9.2
278.14752	2.9
278.21869	1.0
285.14908	2.8
287.12915	5.0
288.13083	1.0
295.13419	4.8
301.14233	1.2
313.14441	20.9
314.14746	1.6
331.15491	23.2
332.15784	2.8
349.16568	4.5
513.23602	6.4
514.24005	1.0
567.24481	9.6
568.25269	1.5
585.25452	22.1
586.25848	3.0
624.39166	0.9
773.44696	10.5
774.45404	1.9
827.46014	11.2
828.46448	2.5
845.46844	49.6
846.47357	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	845.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98520	0.1
78.41389	0.1
78.99468	0.1
82.15742	0.1
87.05659	0.2
94.56929	0.1
98.20753	0.2
129.10352	0.4
140.07219	0.1
149.77443	0.1
155.08325	0.1
165.10294	0.2
200.13931	0.2
207.15086	0.5
239.78154	0.1
242.18802	0.3
267.47052	0.1
313.22580	0.1
336.67093	0.1
337.26215	0.2
361.06165	0.1
782.51776	3.9
783.52148	1.2
857.45740	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	847.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.9
60.01717	0.7
61.32053	0.7
63.69412	0.7
67.02131	0.7
71.01385	6.8
71.50868	1.1
72.99297	0.9
73.02949	4.2
81.61341	0.6
83.01371	1.6
89.02402	0.8
98.37499	0.8
101.02472	3.5
113.02451	1.7
115.00368	4.7
123.04512	2.2
133.01414	3.7
135.40883	0.7
149.04555	0.9
151.00343	1.1
161.04584	1.8
163.04030	0.9
197.09718	1.9
199.03972	1.5
215.03546	1.1
227.03482	1.9
242.02206	3.2
243.02971	23.1
244.03328	2.1
255.03030	0.9
257.04510	4.9
270.01752	4.2
270.40103	0.7
271.02463	21.0
271.05389	1.3
272.02847	1.8
284.09924	1.0
285.04010	12.7
286.04773	4.9
299.01944	7.1
300.02618	2.8
301.10831	2.4
302.11035	1.0
314.04297	38.4
315.04993	11.9
316.05212	1.1
346.10040	0.9
401.10822	1.5
402.11218	1.8
403.11450	1.8
429.30936	0.9
435.65970	1.0
477.10349	100.0
478.10776	13.3
693.67084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.8
63.96224	1.0
66.97617	0.5
69.03474	0.7
70.81063	1.2
71.01373	9.0
73.02935	1.8
76.16161	0.6
77.27760	0.5
78.98589	7.5
79.95728	16.4
80.96511	86.2
82.17502	0.5
82.81146	0.5
82.96083	1.8
85.02933	3.5
87.00872	2.8
94.98080	18.7
96.96004	2.3
97.02954	1.8
99.00880	0.8
101.02443	2.2
106.98071	3.1
113.02444	0.7
122.97581	7.3
125.02473	3.0
134.97569	5.7
136.89807	0.6
136.99104	1.5
148.99138	5.6
152.98631	5.5
164.98610	11.4
177.55630	0.7
204.28242	0.6
206.99684	3.0
207.09145	0.6
225.00725	19.0
227.00439	0.6
255.23262	1.6
312.96274	0.7
537.26898	1.5
591.24561	1.1
620.89014	0.6
683.95270	0.7
847.48688	100.0
848.49103	22.5
848.65643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.8
61.98827	6.5
71.01370	1.2
74.32550	0.5
89.02430	1.7
91.26064	0.6
101.02430	1.7
103.92358	0.7
111.65776	0.5
113.02420	1.0
122.83974	0.5
140.69870	0.6
148.08910	0.8
155.48288	0.5
165.12831	13.2
166.13031	0.8
193.59396	0.6
201.88857	0.6
247.20680	7.0
253.09291	5.8
273.18576	4.5
277.21689	48.7
278.22055	5.6
291.19635	100.0
292.19986	8.2
416.45462	0.6
527.27985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.1
61.98824	23.6
71.01384	44.6
72.99307	3.5
73.02953	15.6
75.00855	4.0
83.01392	12.2
83.05021	2.3
85.02949	27.2
86.00085	3.3
87.00873	3.7
89.02425	4.7
95.01421	3.9
97.02950	1.8
98.19851	3.3
99.00859	7.5
101.02441	36.7
111.00867	8.6
113.02469	13.3
119.03458	1.9
121.06590	2.2
122.03794	2.3
123.04543	4.0
125.02406	7.2
127.04008	6.9
127.07664	2.4
127.98760	1.9
129.01950	2.5
131.03484	3.0
135.03029	1.8
137.06104	10.6
139.07635	9.4
141.02026	2.2
147.04514	9.9
153.05608	2.1
154.02708	5.2
154.31888	1.6
159.02959	3.6
161.04546	3.2
165.05563	13.5
207.12262	1.8
253.47514	1.6
299.58618	2.0
336.53760	1.8
406.78543	1.6
421.33188	5.9
565.37628	1.9
583.38385	18.6
584.38861	3.7
601.39471	6.9
609.36316	2.2
621.38831	5.4
661.37036	2.2
665.37457	13.4
666.38287	2.8
679.39404	4.4
695.42542	2.8
727.42902	2.4
745.43781	100.0
746.44147	25.8
763.44745	23.2
764.45343	4.8
771.41644	17.4
772.42102	2.8
789.42865	22.4
790.43201	4.7
805.45325	8.1
806.85962	2.1
813.42688	11.3
814.43567	3.2
849.44904	41.6
850.45514	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	850.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.50433	0.3
70.50795	0.3
74.30550	0.1
76.22587	0.2
160.18115	0.1
171.47876	0.1
291.19714	0.3
292.20038	0.2
808.67908	0.2
828.49866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
63.51717	0.2
68.99585	0.3
71.50594	0.5
74.24722	0.2
124.66082	0.3
160.81149	0.2
505.88849	0.3
540.22839	0.3
600.80487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.18504	2.3
70.83209	0.2
73.63893	0.3
76.38389	0.2
92.19498	0.2
102.48959	0.2
106.50925	0.2
113.91532	0.2
200.84444	0.2
270.39655	0.2
541.50397	0.2
645.41821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.6
61.98831	42.3
67.01868	1.0
68.99849	1.0
69.03454	2.2
71.01379	32.2
71.16235	1.0
72.99305	3.7
73.02939	11.2
75.00879	1.7
77.40714	1.0
81.28624	1.1
83.01392	8.9
83.05025	25.7
83.48719	1.1
85.02950	20.6
85.03410	2.2
85.06586	1.5
86.00097	2.1
87.00861	3.9
88.98812	2.7
89.02439	3.1
95.01396	3.2
96.96008	1.1
97.02950	1.8
99.00866	5.1
99.04494	2.6
99.08151	2.2
99.27615	1.1
101.02441	25.6
101.06081	1.5
111.00874	6.2
111.04520	18.6
112.01629	1.6
113.02444	10.9
119.05017	1.3
123.00913	1.4
123.04522	8.3
123.69724	1.1
124.01646	2.1
125.02425	3.6
127.04009	16.3
127.07677	5.7
127.81030	1.1
129.05586	15.3
130.60646	1.0
138.03271	2.9
139.03995	1.1
141.01987	1.1
141.09203	2.1
152.04810	7.1
153.05589	7.3
158.24591	1.1
161.04561	1.5
163.03923	1.3
171.06656	2.4
179.05611	1.6
204.25365	1.2
241.38103	1.0
355.13406	1.4
355.28381	2.2
405.33456	1.3
423.34827	1.5
457.17520	1.8
499.32623	3.0
517.33820	2.0
583.24042	1.3
585.40027	3.7
586.40741	1.5
603.40845	1.1
611.38202	5.2
621.38611	2.2
623.36078	1.4
661.38165	8.1
663.39630	1.9
695.41699	2.2
721.40778	5.0
723.41382	1.7
747.45337	22.6
748.46149	4.0
773.43213	100.0
774.43481	20.0
791.43927	4.7
833.45313	33.8
834.45642	7.5
851.46533	9.7
852.46313	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	851.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.6
61.98831	42.3
67.01868	1.0
68.99849	1.0
69.03454	2.2
71.01379	32.2
71.16235	1.0
72.99305	3.7
73.02939	11.2
75.00879	1.7
77.40714	1.0
81.28624	1.1
83.01392	8.9
83.05025	25.7
83.48719	1.1
85.02950	20.6
85.03410	2.2
85.06586	1.5
86.00097	2.1
87.00861	3.9
88.98812	2.7
89.02439	3.1
95.01396	3.2
96.96008	1.1
97.02950	1.8
99.00866	5.1
99.04494	2.6
99.08151	2.2
99.27615	1.1
101.02441	25.6
101.06081	1.5
111.00874	6.2
111.04520	18.6
112.01629	1.6
113.02444	10.9
119.05017	1.3
123.00913	1.4
123.04522	8.3
123.69724	1.1
124.01646	2.1
125.02425	3.6
127.04009	16.3
127.07677	5.7
127.81030	1.1
129.05586	15.3
130.60646	1.0
138.03271	2.9
139.03995	1.1
141.01987	1.1
141.09203	2.1
152.04810	7.1
153.05589	7.3
158.24591	1.1
161.04561	1.5
163.03923	1.3
171.06656	2.4
179.05611	1.6
204.25365	1.2
241.38103	1.0
355.13406	1.4
355.28381	2.2
405.33456	1.3
423.34827	1.5
457.17520	1.8
499.32623	3.0
517.33820	2.0
583.24042	1.3
585.40027	3.7
586.40741	1.5
603.40845	1.1
611.38202	5.2
621.38611	2.2
623.36078	1.4
661.38165	8.1
663.39630	1.9
695.41699	2.2
721.40778	5.0
723.41382	1.7
747.45337	22.6
748.46149	4.0
773.43213	100.0
774.43481	20.0
791.43927	4.7
833.45313	33.8
834.45642	7.5
851.46533	9.7
852.46313	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	851.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.5
61.98828	39.5
69.03474	1.7
71.01382	34.1
72.99305	3.2
73.02949	10.3
75.00890	1.2
79.50909	1.0
81.20694	1.2
83.01379	9.1
83.05021	24.3
85.02944	19.2
85.06597	1.6
86.00108	1.7
87.00873	4.1
88.98795	2.8
89.02434	3.9
95.01376	4.6
97.02924	1.5
98.19861	2.5
99.00856	6.6
99.04514	3.7
99.08134	2.9
101.02431	24.0
101.03025	1.8
101.06075	3.2
102.02775	1.2
104.58358	1.0
111.00871	6.2
111.04515	22.0
112.01638	1.8
113.02446	12.6
116.92877	1.5
119.03474	1.8
122.14512	1.0
123.04520	8.6
125.02434	3.2
127.04009	13.8
127.07656	3.7
129.01892	2.5
129.05569	13.4
137.41396	0.9
138.03229	3.0
139.03915	1.2
141.09200	2.6
147.04501	1.4
147.62663	0.9
151.03955	1.1
152.04808	5.3
153.05565	6.5
159.02974	2.7
161.04541	2.3
167.07161	1.2
171.06624	2.1
355.28802	1.0
423.34723	3.3
457.16547	1.1
499.32858	3.7
517.21954	1.3
517.33807	1.9
583.23798	1.4
585.40002	2.8
611.37793	4.6
621.38708	1.7
623.36365	1.8
661.37927	8.6
663.39136	1.6
695.42261	2.2
721.40009	4.4
723.41400	1.8
747.45404	24.0
748.45856	5.7
773.43201	100.0
774.43549	22.9
789.44122	1.4
791.44519	4.5
813.45245	2.2
815.47034	1.8
833.45441	33.7
834.45612	8.0
851.46509	6.9
852.45837	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.98311	0.5
78.28054	0.2
79.31802	0.2
94.23154	0.2
98.19927	0.2
150.81412	0.2
182.88661	0.2
255.23187	0.3
259.13422	0.4
443.93829	0.2
762.33502	0.2
852.51617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.08397	0.1
62.98531	0.2
70.80801	0.2
72.40771	0.1
121.71876	0.1
139.07745	0.1
142.00090	0.1
158.96858	0.1
167.42296	0.1
192.43877	0.1
272.77142	0.1
293.81790	0.1
344.22513	0.1
449.05505	0.1
533.03680	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	853.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33618	17.6
69.34039	16.7
69.48982	4.3
71.01362	16.8
73.02942	9.4
73.95579	3.9
77.24393	4.3
83.01389	6.3
83.81455	5.3
98.20644	8.1
99.08160	59.4
101.02430	9.8
103.75464	4.2
113.02443	5.1
123.04521	100.0
127.07642	82.9
128.07950	6.1
129.05559	21.7
144.61232	4.1
145.02925	8.3
147.04480	5.2
153.05566	68.4
154.73717	3.9
161.04465	13.6
171.06599	18.7
171.55544	4.1
233.14117	4.6
246.69458	4.3
285.09735	26.4
369.83112	4.2
431.13376	10.0
437.47742	4.6
457.17160	47.9
458.17239	6.4
567.39447	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	853.401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.1
65.85545	0.5
71.50855	0.5
71.51270	0.5
73.10897	0.4
96.96014	0.5
114.06699	0.5
116.92923	0.4
117.03455	1.6
119.05025	54.5
120.05365	1.9
121.02953	1.1
123.04504	0.4
145.02852	0.6
163.04004	100.0
164.04346	4.5
183.33835	0.4
269.08191	1.9
270.27292	0.4
277.21704	1.6
285.78543	0.4
307.08417	2.2
311.16800	2.7
325.09180	2.5
379.31177	0.5
380.88336	0.5
413.12402	3.1
431.13464	10.6
432.13885	1.0
585.30566	2.0
616.94855	0.5
691.34839	3.1
692.35229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.3
68.99558	0.1
71.51302	0.2
78.10274	0.1
79.36420	0.1
80.68294	0.1
93.03442	0.6
99.92583	0.3
112.98554	0.2
113.66105	0.1
115.09505	0.1
116.92865	1.8
116.97213	0.1
117.03442	1.1
117.29348	0.1
119.05023	71.7
120.05351	2.8
121.02953	0.4
123.64268	0.1
133.06627	0.1
135.04507	0.1
137.22148	0.1
145.02957	0.4
149.66174	0.1
163.04002	100.0
164.04333	4.5
205.05045	0.3
269.08145	2.3
270.08655	0.2
277.21680	0.4
307.08258	1.9
308.08527	0.2
325.09265	2.8
413.12433	1.4
414.12680	0.3
431.13409	4.9
431.19373	0.2
432.13754	0.5
585.30640	5.3
586.30719	1.1
691.34424	0.7
692.35242	0.2
741.50360	0.1
878.94946	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	855.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	5.7
71.01378	4.4
72.82591	0.3
73.02943	1.3
74.42472	0.3
77.03964	0.4
81.07090	0.6
83.01361	0.6
83.05035	1.0
85.02956	1.8
85.90862	0.3
89.02441	1.1
91.62318	0.3
93.03442	0.8
95.01393	0.7
95.05015	3.5
96.96026	0.5
97.02938	0.4
97.35345	0.3
99.00913	0.5
99.08150	43.1
100.08490	1.1
101.02424	3.0
102.58109	0.3
105.03467	0.9
109.06581	1.7
113.02438	2.1
121.02947	0.9
123.04517	100.0
124.04844	3.5
125.02435	1.3
127.07642	70.3
128.07991	2.2
129.05573	40.5
130.05899	1.3
138.03217	1.8
147.04510	18.3
148.04834	0.8
149.02417	1.0
149.99518	0.5
153.05563	68.4
154.05882	2.1
161.04530	2.3
161.05800	0.4
168.00606	0.8
171.06619	19.3
172.06931	0.7
180.21674	0.3
189.06058	0.4
189.07669	2.4
221.06534	0.6
285.09760	5.7
339.27530	0.4
352.03778	0.4
353.19565	0.3
413.21854	1.1
415.13953	6.5
416.14334	0.9
439.16061	6.7
440.16177	0.7
457.17117	35.1
458.17545	3.8
495.18182	1.7
531.36121	0.4
537.80579	0.4
542.98517	0.3
559.07947	0.3
569.20160	0.6
587.21271	26.7
588.21631	4.5
657.23145	0.9
665.37323	0.5
726.07745	0.4
747.65997	0.5
855.43140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.8
68.25778	0.3
71.01374	4.5
71.50462	0.4
71.50860	0.3
73.02937	1.4
77.03951	0.5
81.07100	0.5
83.01379	1.3
83.05019	1.0
85.02940	2.3
87.00810	0.4
89.02456	0.9
93.03445	1.0
95.05014	3.8
97.02956	0.6
99.00848	0.4
99.08150	45.9
100.08480	1.1
101.02441	2.4
101.06069	0.5
105.03465	0.9
109.06595	1.1
113.02452	1.9
116.92833	0.4
118.53779	0.3
119.03475	0.4
119.05002	0.7
119.26631	0.4
121.02943	0.9
123.04515	100.0
124.04864	3.4
125.02445	1.1
127.07644	69.3
128.07994	2.1
129.05571	40.1
130.05896	1.4
133.01511	0.4
133.80234	0.3
138.03224	2.1
147.04514	21.4
148.04854	1.1
149.02429	0.7
149.99596	0.5
153.05560	71.9
154.05901	2.3
159.02988	0.5
161.04565	2.0
161.05807	0.4
168.00620	0.8
171.06613	19.3
172.06935	0.6
189.07634	2.2
285.09723	5.1
286.10138	0.4
353.19928	0.5
371.20340	0.3
395.20935	0.6
413.21924	1.2
415.13998	8.1
416.14447	0.9
439.16138	7.4
440.16583	0.7
448.30624	0.3
457.17087	38.7
458.17404	5.3
480.15628	0.4
495.18344	1.7
569.20282	0.8
587.21259	30.8
588.21692	5.2
616.65540	0.4
657.23584	1.3
811.34247	0.9
855.27045	0.4
855.47516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	4.5
69.30042	4.0
69.30465	8.3
71.01382	51.3
72.99317	2.4
73.02954	19.8
74.48917	1.6
76.59657	1.3
83.01392	10.8
85.02946	27.2
87.00865	3.8
88.79646	1.5
89.02447	21.1
95.01382	2.6
99.00880	6.3
101.02444	61.0
101.03112	3.4
113.02451	23.5
119.03502	9.0
129.05571	5.8
143.03481	4.8
159.03015	2.4
161.04555	20.3
179.05576	6.3
189.07719	8.4
205.63507	1.3
209.01190	1.8
210.73108	1.3
235.11865	100.0
236.12181	6.3
277.12921	48.1
278.13074	2.6
321.11716	2.1
355.60446	1.5
361.71808	1.3
480.87045	1.5
533.25873	12.5
839.08997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01693	0.6
60.87858	0.3
71.01367	1.4
71.05009	2.9
77.81910	0.3
87.04530	1.5
99.04518	9.5
99.08141	3.4
103.00365	6.4
115.04008	6.7
115.07644	1.6
117.05580	4.6
136.53329	0.3
143.07120	4.5
144.07430	0.4
161.08185	100.0
162.08540	2.9
203.09236	19.6
204.09520	0.7
247.08261	0.7
251.24330	0.3
255.02942	0.7
283.02393	1.8
284.03137	0.4
285.04068	1.1
447.09164	0.8
609.14746	1.9
722.36060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01691	0.9
61.98827	4.8
71.01379	38.4
71.05011	1.2
72.01725	1.1
72.99286	2.1
73.02945	15.9
75.00878	0.9
83.01373	8.9
85.02945	24.0
85.06572	2.3
86.00087	1.8
87.00852	3.5
89.02457	4.0
92.27764	0.7
95.01387	4.0
97.02938	3.0
97.06589	2.9
99.00879	7.1
101.02441	28.3
111.00872	3.8
112.01642	1.0
113.01720	1.4
113.02447	16.1
123.04492	1.7
125.02425	2.7
141.01892	1.4
143.03453	2.6
159.02951	2.7
161.04530	8.6
213.18593	3.3
221.06569	4.9
225.18544	0.9
229.32541	1.2
237.18546	1.2
281.24918	2.0
293.24820	2.2
305.24841	4.3
311.25888	1.2
319.91821	0.8
323.25903	1.2
341.27090	6.5
342.27386	1.1
375.23688	1.0
413.25299	1.8
449.28625	1.0
467.24115	1.1
467.30075	14.4
468.30450	2.1
485.31158	84.8
486.31451	14.6
491.52988	0.9
503.32236	80.5
504.32520	14.3
545.33282	100.0
546.33569	19.0
571.31537	1.1
776.62958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	6.6
62.42725	1.7
69.03452	3.4
69.45186	1.4
71.01382	74.3
71.01787	3.7
71.50539	3.0
72.99299	2.5
73.02946	100.0
75.00883	1.8
79.88577	1.4
80.42528	1.6
83.01385	28.6
85.02968	7.9
87.00880	3.2
89.02449	15.3
90.44360	1.6
95.01399	3.3
99.92582	7.4
101.02441	84.9
113.01716	2.5
113.02454	26.9
116.92858	44.7
117.01932	2.1
117.92776	1.8
119.03533	9.1
119.05014	1.7
125.02425	2.2
127.07642	1.8
131.03522	8.8
134.27110	2.1
143.03494	9.5
149.04546	18.4
153.05600	1.9
155.03511	3.6
161.04539	27.9
163.03967	2.5
189.12764	9.3
193.05118	1.6
203.05602	4.5
207.13838	6.5
209.84056	1.6
221.06689	8.0
226.06339	17.4
241.08693	25.1
242.08983	2.3
421.75467	2.0
447.11780	1.9
550.38281	2.3
859.29163	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	859.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01695	0.9
61.98502	0.7
61.98814	3.8
68.99818	0.8
69.03461	1.7
70.28672	2.7
71.01379	32.0
71.05044	0.7
72.99304	1.8
73.02944	10.1
82.36222	0.7
83.01381	6.2
85.02946	19.1
86.00093	1.8
86.03249	1.1
87.00862	2.6
89.02449	4.2
95.01396	3.9
97.02939	2.7
98.19944	0.9
99.00858	5.1
101.01804	1.3
101.02438	22.2
102.02768	0.7
105.47706	0.8
111.00871	3.4
113.02435	14.7
115.04008	0.8
119.03453	1.1
121.10213	5.5
123.04500	2.2
124.01685	1.4
125.02451	1.9
127.07601	1.1
129.01952	1.1
143.03474	2.1
153.05521	0.8
159.02972	2.1
161.04518	7.3
185.15469	7.1
195.83542	0.7
203.30896	1.0
207.20718	0.8
221.06668	2.7
325.27322	0.9
329.19528	1.5
343.28427	3.1
347.20618	4.1
429.88837	0.9
451.31052	0.8
457.16949	1.8
457.31412	0.8
487.32733	100.0
488.33035	14.2
505.33798	59.3
506.34039	9.5
547.34833	76.8
548.35242	12.2
573.32379	1.8
594.63409	0.9
637.86353	0.8
696.04590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	9.0
69.28656	5.9
71.01369	4.1
75.57318	0.7
78.95865	0.9
85.02945	1.5
89.02424	1.9
90.95611	0.7
98.19863	1.4
101.02425	2.8
113.02422	1.9
116.92813	2.6
144.05762	0.8
146.03726	20.4
147.04448	1.4
158.03716	1.5
159.03218	1.4
159.04497	22.3
160.05307	6.6
161.05992	2.6
163.03975	1.0
172.05290	9.2
173.06061	4.0
174.03177	2.0
174.06807	0.9
175.03961	1.4
181.56288	0.8
184.05252	2.7
185.06055	2.2
186.06883	1.7
187.03986	39.8
188.04762	37.6
189.05220	2.4
190.06313	1.9
197.06056	2.1
198.06885	1.3
200.04872	0.8
201.05511	2.1
202.06339	1.2
212.04660	2.1
213.05376	1.3
213.12894	0.9
225.12843	3.7
241.12308	2.4
243.13858	1.5
253.09196	2.2
267.13828	1.7
269.11807	17.5
269.15417	6.4
270.12433	3.8
277.21716	10.9
278.22104	1.0
283.13373	3.3
285.14972	11.6
286.15240	0.8
287.12915	7.9
287.16171	1.2
288.13190	1.4
295.13376	24.9
296.13666	2.2
297.14929	1.1
300.67285	0.7
301.14465	1.2
303.15967	1.4
309.20441	1.2
311.12921	0.7
313.14429	100.0
314.14713	9.2
315.15973	2.5
327.21689	3.9
331.15479	25.1
332.15814	2.2
345.16928	0.9
387.18127	0.9
405.19171	1.2
407.20483	1.2
447.97583	0.8
545.29553	1.2
549.23309	5.7
563.30762	1.1
567.24384	58.3
568.24713	8.9
601.89838	0.8
665.40643	0.9
809.44733	1.7
827.45795	68.8
828.46265	16.9
828.61798	1.0
859.48975	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	859.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	8.6
65.13956	0.7
69.19205	7.0
71.01385	3.6
73.02927	0.9
85.02934	1.5
88.13950	0.7
98.20688	1.3
101.02435	2.4
116.92883	1.6
122.71103	0.7
146.03732	12.7
147.04375	0.8
158.03758	1.7
159.04520	22.5
160.05309	5.5
161.06024	2.1
163.03947	1.1
167.18790	0.7
172.05322	9.6
173.06053	3.9
174.03137	1.4
175.03976	1.4
184.05276	1.1
185.06102	1.2
186.06860	1.6
187.04010	31.6
187.07664	1.4
188.04788	32.5
189.05161	1.3
190.06284	2.1
197.06067	1.6
200.04756	1.2
201.05574	1.7
209.11740	0.9
211.13396	1.0
212.04779	3.6
213.09190	1.1
225.12881	3.2
235.08160	1.5
241.12328	1.8
251.10822	1.2
251.14545	0.9
253.09311	3.8
254.09630	0.8
267.13895	1.8
269.11835	15.3
269.15381	3.1
270.12405	4.3
271.13364	1.3
277.21732	20.1
278.22095	1.8
283.13425	2.3
285.14941	7.5
287.12866	4.4
295.13397	12.5
296.13821	1.8
303.15863	1.0
309.20782	2.1
313.14462	100.0
314.14832	8.6
315.16095	2.4
327.21716	6.3
331.15515	12.5
345.17081	1.5
387.18365	0.8
549.23309	3.4
563.31281	0.8
567.15503	1.1
567.24377	23.2
568.24713	2.7
687.97931	0.8
809.44531	0.8
812.42566	1.1
827.45898	53.0
828.46130	13.2
859.49237	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	859.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98536	8.4
61.98830	100.0
63.82481	5.3
71.01379	11.2
73.02975	5.1
75.14713	4.3
98.19869	10.6
116.92871	6.2
146.03735	8.2
157.00471	4.9
159.04491	15.3
164.44547	4.4
172.05273	12.4
174.03157	4.6
187.03966	29.4
188.04791	24.3
199.13373	6.1
235.08154	18.4
253.09215	18.3
269.11896	17.4
269.15314	6.7
270.12634	5.7
277.21661	80.9
285.14963	6.4
295.13431	11.7
309.20471	6.0
311.16956	7.8
312.17227	6.6
313.14346	86.5
313.21518	13.6
313.27423	54.3
314.14813	6.2
327.21796	39.6
331.15314	8.1
391.91727	4.9
457.91437	5.2
521.33167	11.0
545.29816	9.8
567.24261	25.1
589.23840	5.5
739.43805	5.0
827.45685	38.0
828.46021	10.1
859.49377	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	861.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01714	2.1
62.03571	1.4
68.30674	1.8
69.03460	1.7
69.17052	1.7
69.17452	13.3
71.01380	65.1
72.01719	2.4
72.99294	1.9
73.02946	20.7
74.02461	1.8
75.00886	1.8
83.01387	10.7
85.02950	25.5
87.00886	4.5
89.02438	17.8
90.52189	1.4
90.55523	1.5
95.01408	6.3
96.95983	1.9
98.19884	3.7
99.00891	6.5
101.02442	46.3
113.02444	28.4
115.00364	1.6
119.03503	8.0
125.02418	2.4
131.03471	2.2
143.03477	5.8
150.05623	2.2
159.02956	2.5
161.04562	19.8
179.05573	2.7
181.12299	3.4
189.12860	2.6
203.05658	2.6
207.13878	6.0
225.14931	2.5
245.09268	5.6
263.19000	1.5
272.96213	1.5
291.10318	1.5
296.08487	1.4
303.30634	1.7
325.16528	1.8
327.08646	1.7
351.18002	4.3
356.09683	2.2
369.19144	32.0
370.19510	3.1
387.20236	89.5
388.20609	6.7
401.11179	1.6
429.21255	100.0
430.21570	12.1
431.22009	2.0
674.42242	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	861.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01697	1.7
60.99285	3.0
61.98827	34.9
69.03454	1.5
71.01377	35.3
71.50268	0.9
72.99289	2.4
73.02942	10.2
75.00861	1.0
77.39102	0.6
83.01382	9.0
84.59277	0.7
85.02945	20.1
86.00059	1.5
87.00861	2.7
88.98275	1.2
88.98807	15.4
89.02442	4.7
95.01398	4.9
96.96006	0.7
97.02941	2.9
99.00873	5.2
101.01816	1.3
101.02439	19.5
111.00857	3.0
112.01662	1.0
113.02447	17.0
119.03468	1.8
119.05051	0.8
121.02937	1.3
123.04516	4.9
124.01654	1.3
125.02435	2.8
127.07616	1.6
129.01871	1.2
129.05566	1.5
133.21741	0.7
143.03455	3.0
147.04439	0.9
153.05566	2.2
159.02943	2.2
161.04558	5.7
185.15417	2.0
199.09875	0.7
203.05585	1.1
214.88783	0.8
221.06633	2.4
227.06761	0.8
255.06584	2.2
270.08759	1.7
285.11484	3.6
299.25876	5.4
303.05154	0.7
343.28513	1.1
345.30063	12.2
346.30887	1.1
441.32166	1.3
453.31940	0.9
457.17731	0.8
489.34296	100.0
490.34634	11.8
507.35376	57.2
508.35843	8.7
549.36401	94.8
550.36731	17.1
562.71899	0.7
595.38507	1.1
817.45990	2.6
820.46283	0.9
861.47467	1.1
862.51862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	0.7
61.98817	1.7
67.05511	1.0
71.01385	2.0
73.02951	0.5
85.02950	0.8
88.98816	0.8
89.02431	0.7
92.74745	0.6
98.19907	2.2
99.04514	2.3
99.08143	3.0
101.02427	2.3
103.00360	0.8
113.02445	1.5
123.04536	5.8
123.08141	0.5
124.05281	2.0
127.07677	4.4
129.05595	6.8
133.10252	1.1
135.11787	7.2
153.05574	3.3
161.04601	0.6
161.09694	2.8
171.06596	1.0
179.10762	82.8
180.11090	3.9
181.08682	0.8
189.07677	10.1
190.07985	1.0
197.11815	1.6
205.08693	0.7
209.11827	0.9
221.11852	0.7
223.09732	34.4
224.10121	1.7
229.88036	0.6
230.27116	0.6
239.12833	1.1
241.10829	2.3
265.10867	1.2
273.42065	0.7
283.11847	14.8
284.12149	0.8
341.15964	8.1
367.14084	0.6
385.14865	1.5
445.17084	1.7
457.17337	2.5
458.17816	1.2
491.19214	55.5
492.19556	6.1
499.18195	1.2
507.22354	1.7
509.20142	2.5
544.06964	0.6
544.15460	0.6
551.21289	100.0
552.21667	13.5
557.22668	0.9
595.21417	0.6
595.30029	2.5
863.29889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.6
69.03447	0.4
69.14273	1.4
69.14697	0.6
71.01382	7.8
72.99290	0.8
73.02948	2.7
75.24914	0.2
83.01398	1.0
85.02950	4.1
86.00106	0.3
87.00867	1.9
88.98780	0.2
89.02444	2.1
93.15609	0.2
95.01392	1.1
97.02965	0.8
99.00880	0.8
101.01798	0.4
101.02442	5.8
111.00890	0.7
112.85673	0.2
113.02453	2.5
115.00349	0.6
119.03474	0.6
119.05058	0.3
123.04482	0.4
125.02441	0.7
127.07664	0.3
129.05611	0.3
131.03534	0.2
134.19246	0.2
143.03503	0.3
153.05582	0.5
155.47131	0.2
160.21390	0.2
161.04559	0.7
175.02502	1.2
175.83372	0.2
201.24725	0.2
207.91951	0.2
227.20142	0.2
253.21808	0.8
271.22772	9.9
272.23090	0.5
276.88623	0.2
397.90118	0.2
415.26920	2.0
433.28036	14.7
434.28336	1.2
528.86713	0.3
555.87555	0.3
577.32300	2.2
578.32745	0.4
595.33313	100.0
596.33643	14.4
603.47699	0.2
763.25989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98538	0.9
61.98831	12.1
71.01382	18.7
72.99334	0.7
73.02943	2.6
80.02665	1.0
81.03445	1.5
83.01384	2.1
83.05032	4.7
85.02959	3.6
87.00873	5.0
89.01936	1.0
89.02445	13.4
95.01423	1.4
95.05016	0.7
97.02940	3.1
99.00883	1.1
99.04549	0.5
101.02441	13.2
109.02979	0.6
109.39005	0.5
113.02454	7.4
116.07270	0.5
119.03503	3.7
125.02441	6.2
128.94000	0.5
139.03952	0.7
141.01817	0.7
143.03473	2.5
161.04544	3.5
163.11298	3.6
165.12811	2.2
179.05629	4.2
181.12392	0.6
191.10799	1.0
209.11824	100.0
210.12167	6.3
217.07126	1.2
221.06560	1.4
227.12895	16.7
228.13278	1.3
235.08252	5.0
255.23282	53.5
256.23645	5.0
259.08295	0.7
263.07806	0.7
287.07788	1.3
291.19635	1.0
293.21402	0.8
305.08881	1.7
323.09741	1.2
369.01868	0.6
379.12442	8.1
397.13495	41.0
398.14072	3.3
415.14606	10.2
589.25128	0.9
607.25513	0.6
653.37518	2.1
775.17914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	9.1
69.03431	1.0
69.32362	4.0
69.32786	2.5
71.01016	1.1
71.01379	16.5
72.99306	1.4
73.02913	1.8
81.03442	1.9
83.01389	2.2
83.05008	4.1
85.02958	3.9
87.00877	3.8
89.02442	14.8
95.01331	1.0
95.05035	0.7
97.02928	2.8
98.20699	1.5
101.02448	11.9
113.02437	5.9
116.92834	1.0
119.03482	2.9
125.02443	5.7
127.73450	0.8
130.09859	0.8
131.03519	1.1
143.03476	2.6
149.04514	0.9
161.04544	3.5
163.11285	4.4
165.12825	1.9
179.05629	4.2
181.12276	0.8
191.10657	1.4
194.88028	0.8
195.36511	0.8
209.11818	100.0
210.12167	5.4
221.06744	1.2
227.12885	11.6
235.08168	4.9
255.23279	57.9
256.23688	4.4
277.21973	0.8
287.07751	2.0
305.08737	1.8
361.11090	0.9
379.12479	8.0
397.13477	39.5
398.13788	3.0
415.14545	9.4
511.20428	0.8
549.07471	0.8
607.25629	1.2
653.37146	1.9
706.97131	0.9
863.48547	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	864.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98558	0.2
66.01927	0.1
68.99577	0.2
70.06033	0.5
70.74484	0.1
71.01398	0.2
74.18172	0.1
75.00874	0.2
80.96516	0.4
99.08184	0.4
116.92894	0.2
123.04523	2.8
127.07663	1.4
129.05597	0.8
151.40628	0.1
153.05544	2.2
171.06638	0.4
199.47697	0.2
214.83685	0.1
253.09447	0.2
277.21744	1.0
278.22137	0.5
289.18225	0.4
307.19205	0.4
379.28119	0.2
523.32697	0.3
642.07654	0.2
695.40222	1.4
696.40790	0.3
845.20380	0.2
865.50677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	69.8
71.01382	2.6
71.43645	0.8
71.50618	1.3
75.38863	0.9
84.60023	0.8
85.02940	1.4
87.00860	0.9
88.98814	1.2
89.02456	2.0
95.01421	0.7
101.02423	1.7
113.02439	1.2
115.96935	1.0
119.03406	1.0
129.05458	1.1
139.93048	0.9
147.04509	1.4
153.05560	1.8
171.04576	1.7
195.04514	1.2
197.05988	1.2
198.06712	1.2
210.06856	86.2
211.03954	0.9
211.07193	7.0
212.04738	3.6
213.05536	2.7
223.04054	1.5
224.04820	2.3
225.05676	9.8
225.09204	22.7
226.06354	17.1
226.09531	2.2
227.06865	1.9
239.03485	3.4
240.04375	5.8
240.07965	2.0
241.05049	33.9
241.08693	20.8
242.05684	5.8
242.08904	1.8
255.06621	22.0
256.07059	2.2
368.59357	0.9
378.16910	1.0
466.14182	45.3
467.14554	7.6
481.16541	90.6
482.16888	13.4
507.28534	1.1
546.85474	1.0
562.69250	1.0
596.33740	2.7
597.34235	1.7
643.21820	100.0
644.22156	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.0
65.00324	0.6
71.01379	16.7
72.99279	0.9
73.02944	5.7
75.82811	0.4
75.90337	0.4
83.01382	3.7
83.05032	1.9
85.02950	7.8
87.00882	1.4
88.98819	0.4
89.02438	7.0
95.01379	1.7
97.02939	0.6
99.00890	2.7
99.08154	15.8
100.08486	0.5
101.02435	16.7
101.06096	1.6
105.54706	0.5
107.01392	1.2
109.06583	0.8
113.02448	9.4
119.03487	3.2
119.05017	0.6
121.52081	0.5
123.04530	8.0
125.02422	1.0
125.06107	0.5
127.07649	24.1
128.08040	0.4
128.91542	0.5
129.05577	80.4
130.05893	2.2
131.03510	0.8
138.03246	0.7
143.03494	1.9
145.03003	0.6
151.00354	3.9
153.05574	18.5
154.05922	0.4
155.05026	0.5
155.35843	0.4
159.03041	1.4
161.02486	0.5
161.04549	8.3
171.06639	3.4
178.99825	1.5
179.05551	1.3
183.04410	1.0
185.02417	0.6
187.03931	0.5
189.07678	0.7
199.03938	2.8
205.85985	0.5
214.02678	1.7
215.03375	0.5
226.06288	2.7
227.03487	2.7
241.01396	6.8
241.08685	1.7
242.02118	3.7
243.02937	6.7
244.03316	0.7
245.00810	3.9
245.10286	1.0
255.02968	4.5
263.11319	3.8
265.50064	0.5
270.01675	9.9
271.02435	16.2
272.02789	0.8
285.09769	0.8
298.01178	6.7
299.01935	39.2
300.02502	5.2
301.03528	1.3
305.12488	0.7
323.09747	3.6
365.57831	0.4
394.76053	0.6
407.15518	7.1
408.15991	0.5
417.17639	1.9
425.16626	12.3
426.17300	1.1
433.07941	0.8
435.18683	37.6
436.18970	4.0
453.16220	2.0
457.17557	1.0
461.07239	45.4
462.07809	9.5
463.08459	0.9
467.17584	5.1
468.17941	1.0
505.18820	0.4
541.11829	0.6
559.20099	0.7
578.77515	0.5
579.22803	4.3
580.22778	0.6
597.23944	100.0
598.24329	12.4
619.22369	0.8
703.16815	1.9
789.89374	0.5
865.21613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93847	1.0
61.98824	25.7
69.03452	1.2
69.47816	6.6
71.01358	4.3
74.15228	0.9
79.95743	0.9
80.96515	3.7
83.05024	1.1
85.02931	1.9
85.06606	1.1
85.48109	1.0
89.02454	3.4
97.02959	2.7
101.02442	4.2
111.08157	1.1
113.02457	2.7
119.03536	1.2
133.75964	0.8
146.96559	1.3
161.04549	2.1
165.12860	1.9
171.10265	2.2
183.13844	1.0
195.13860	4.1
197.11810	5.4
221.15434	2.1
223.13383	2.1
225.00861	0.9
235.08234	8.8
247.20822	1.3
251.16379	1.0
253.09274	18.5
273.18564	1.8
277.21704	100.0
278.22086	8.0
291.19656	20.4
292.20056	2.7
309.20685	55.2
310.20950	5.1
527.28558	1.0
545.29523	1.7
865.49811	4.0
866.50177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98552	0.1
65.90945	0.1
71.01389	0.6
71.50886	0.2
73.02948	0.3
88.98830	0.2
89.02464	0.5
92.36644	0.1
96.32572	0.1
99.08163	0.2
101.02430	0.3
113.02496	0.3
116.92868	0.3
119.04990	0.2
123.04543	0.4
127.07686	0.4
129.05620	0.2
151.00417	0.1
153.05623	0.4
158.70201	0.1
161.04507	0.2
171.06668	0.1
197.11787	0.1
205.92413	0.1
217.85326	0.1
223.13408	0.2
236.92358	0.1
245.04688	0.1
283.02628	0.2
440.16104	0.2
535.22162	0.5
597.62097	0.1
623.24646	0.2
667.39172	0.6
668.39807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01385	0.4
71.50504	0.2
73.02953	0.1
86.67553	0.1
88.98823	0.5
89.02452	0.2
96.50795	0.1
99.08179	0.2
100.38932	0.1
101.02449	0.3
108.51556	0.1
113.02438	0.1
123.04504	0.7
127.07693	0.3
129.05589	0.2
147.04559	0.1
153.05640	0.4
161.13475	0.1
171.06691	0.1
183.14079	0.1
185.11848	0.1
223.13486	0.1
241.08817	0.1
439.16153	0.2
457.17261	0.2
458.17554	0.2
513.23492	0.2
535.15314	0.1
535.21838	0.6
536.22003	0.1
865.17407	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	866.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
66.79039	0.1
137.02560	0.2
141.03094	0.2
146.05922	0.2
163.26665	0.2
211.13385	0.4
228.49242	0.2
235.08302	0.3
253.09424	0.4
277.21710	3.0
278.22034	1.7
291.19705	1.1
292.20062	0.6
309.20547	1.0
310.21048	0.6
534.43683	0.2
551.39862	0.2
637.14844	0.2
830.33527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98525	0.2
70.72318	0.4
76.99345	0.2
79.95713	0.2
80.96511	0.7
110.17542	0.2
116.92924	0.2
220.21236	0.2
273.76712	0.2
277.21768	0.6
278.22086	0.2
314.16315	0.2
492.53143	0.2
826.66803	0.2
866.50696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.3
63.47029	0.2
71.01382	17.3
72.01743	0.3
72.99311	1.2
73.02946	2.9
75.00879	0.3
82.27238	0.3
83.01386	1.6
84.48814	0.2
85.02951	3.3
87.00874	23.9
88.01212	0.4
89.02443	2.8
95.01369	0.6
99.00877	1.3
101.02438	4.1
106.06623	0.6
111.00877	0.8
112.98817	0.8
113.02443	3.6
115.00371	37.6
116.00681	0.6
119.03505	0.9
119.05029	0.3
123.04496	1.5
127.00368	1.6
131.03485	0.4
139.00356	1.0
145.02824	0.3
150.05568	0.5
153.05576	2.0
157.01434	1.1
161.04526	1.5
171.06516	0.3
171.28307	0.2
175.02467	100.0
176.02812	3.2
179.05508	0.5
180.68147	0.2
189.12840	0.6
207.13937	0.5
247.08212	0.4
251.04961	0.3
265.08969	0.3
351.18024	0.4
356.09851	1.0
357.09851	0.3
369.19189	1.9
370.19690	0.3
387.20245	4.9
388.20605	0.8
393.11761	1.7
409.13660	0.3
425.10727	0.3
429.21213	8.3
430.21616	0.8
439.16150	0.4
501.24951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	32.2
65.74094	1.6
69.91298	8.7
71.01371	17.2
72.99290	1.6
73.02946	4.6
74.19253	1.7
76.96090	1.4
83.01382	2.2
85.02936	4.7
87.00863	5.7
89.02443	18.9
97.02941	4.0
99.00865	2.2
101.02443	13.1
113.02448	8.3
119.03498	2.5
123.04420	1.8
125.02486	9.0
127.11279	2.5
143.03448	2.2
154.99117	1.5
161.04544	3.2
171.10265	100.0
172.10609	4.7
179.05646	3.7
217.06963	1.7
221.06683	3.8
235.08237	6.5
242.34744	1.6
255.23283	70.4
256.23563	7.6
277.21982	1.9
287.07803	2.7
305.08844	2.7
379.12579	19.0
397.13474	46.2
398.13995	3.4
415.14377	6.9
551.23523	3.5
569.25256	3.3
593.03223	2.2
635.35931	4.2
653.37524	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	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.01393	0.2
71.50562	0.1
145.05212	0.1
163.03975	0.2
211.13408	0.5
277.21719	0.4
482.44754	0.1
651.03632	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	868.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98532	0.1
68.89970	0.1
69.88629	0.2
69.89045	0.3
97.52628	0.1
98.19975	0.1
106.52991	0.1
111.64200	0.1
252.21675	0.1
278.22314	0.1
631.01447	0.1
754.87592	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	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98545	0.1
70.45710	0.2
76.42279	0.1
84.72573	0.1
85.50522	0.1
169.85898	0.1
200.55739	0.1
216.00885	0.1
219.12943	0.1
225.01161	0.1
229.26651	0.1
277.21814	0.1
380.65939	0.1
410.08905	0.1
448.31638	0.1
662.93536	0.1
676.28815	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	869.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61153	1.2
69.50739	8.1
71.01379	60.8
72.99295	2.8
73.02944	21.0
83.01390	12.3
85.02946	28.7
87.00845	6.2
89.02441	18.2
95.01377	4.1
96.96005	10.4
97.02958	1.5
99.00862	8.2
101.02441	58.9
111.00876	1.8
113.02447	25.9
119.03504	9.6
128.42247	1.4
130.08719	2.1
133.01419	1.7
141.67345	1.3
143.03485	4.4
159.02957	3.7
161.04559	30.0
165.09206	20.3
169.01820	1.4
179.05667	7.0
205.12318	4.1
223.13309	1.5
235.11842	100.0
236.12166	4.9
277.12888	52.7
278.13156	1.4
321.12076	3.2
385.18640	56.5
386.18918	4.4
547.23810	5.3
707.53156	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	869.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	5.5
68.99565	2.6
69.03461	1.9
71.01376	19.1
71.51075	0.9
72.99298	1.3
73.02949	2.5
81.03468	1.0
83.01384	1.9
85.02952	5.3
87.00871	5.6
89.02438	17.8
95.01391	1.5
97.02940	3.2
99.00897	1.1
101.02440	11.8
112.98550	2.3
113.02435	7.9
119.03488	4.8
125.02459	5.8
143.03494	2.7
161.04521	3.4
179.05579	4.1
181.12222	0.8
183.13895	7.1
191.85872	0.6
193.12279	1.2
211.13382	100.0
212.13763	7.4
217.07083	1.0
221.06720	1.3
235.08232	5.2
253.09076	1.0
253.14713	0.7
277.21707	56.1
278.22089	5.7
287.07693	2.2
305.08826	1.7
323.09668	1.3
368.72757	0.7
379.12442	7.8
397.13483	40.2
398.13708	1.9
415.14545	7.0
416.14920	1.4
433.56738	0.8
465.19913	0.8
591.26691	2.4
609.27484	2.2
657.34937	0.7
675.35986	1.0
903.77423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	0.6
69.03449	1.4
69.13673	1.1
69.14097	0.6
71.01377	0.4
76.75372	0.1
81.03452	0.3
83.05041	1.0
84.02169	2.2
95.05014	0.3
97.02953	0.7
97.06583	7.9
98.06938	0.3
99.04539	0.8
111.08161	0.2
113.02348	0.2
119.08620	0.3
121.10261	0.2
125.09717	1.5
127.11250	0.3
128.98615	0.2
135.08125	0.3
137.09711	0.7
141.46059	0.2
149.09665	0.2
149.13284	0.4
151.11295	0.4
155.97702	0.2
157.81047	0.2
163.11322	0.3
165.12857	0.8
167.10783	0.2
169.38338	0.2
171.10260	8.0
172.10591	0.4
175.11255	0.6
177.12799	0.4
183.13855	0.5
185.11816	0.4
193.12320	11.1
194.12656	0.5
197.15407	0.4
203.10872	0.3
209.11835	0.2
211.13359	1.9
221.11769	0.6
225.14935	16.0
226.15242	1.1
239.12822	0.2
243.15988	6.4
243.51405	0.2
244.16315	0.3
247.20612	0.3
253.09204	0.4
253.14502	1.0
270.69977	0.2
273.18457	0.4
291.19641	3.7
292.19946	0.4
305.21100	0.3
323.22034	0.3
341.23279	100.0
342.23630	10.1
375.51593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	28.4
63.99234	0.3
67.99705	0.2
71.01380	13.5
72.01690	0.2
72.99313	1.2
72.99641	0.3
73.02943	1.3
83.01374	1.1
83.05012	0.3
84.95850	0.3
85.02938	3.6
86.97869	0.3
87.00870	1.0
88.98811	0.3
89.02443	11.1
95.01375	1.1
95.04960	0.3
96.96012	0.6
98.20748	0.5
99.00860	0.4
99.08141	0.4
101.02441	7.8
101.18053	0.3
111.00826	0.4
113.02445	4.9
113.06048	0.4
114.15329	0.2
115.00402	0.3
116.92840	0.4
119.03498	3.9
119.04983	0.5
121.02947	0.3
123.04530	1.7
125.02430	0.3
127.04027	0.4
127.07632	1.1
129.05586	0.6
131.03444	0.4
143.03568	0.3
145.02904	0.7
147.04486	0.9
153.05547	1.3
161.04567	0.5
163.04015	0.5
167.14398	8.6
168.14749	0.6
171.06647	0.5
179.05614	0.8
210.14992	0.7
211.13387	12.0
211.15408	0.6
212.13654	0.8
226.18114	0.4
227.16451	0.4
229.14433	7.1
230.14812	0.4
254.17644	1.9
272.18640	8.9
273.19092	0.5
281.21259	4.5
282.21384	0.5
299.22272	0.7
308.22375	0.4
325.20163	1.4
326.20215	0.3
353.26791	0.4
416.22775	2.4
422.28925	0.8
431.13016	0.5
434.23920	15.0
435.24231	1.4
439.16156	0.4
457.17413	0.3
488.28223	0.7
517.21045	0.3
584.34143	2.0
585.34784	0.4
602.35413	100.0
603.35791	17.1
679.38519	0.4
763.45831	0.3
807.43787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34492	0.4
66.79700	0.4
69.54094	1.3
69.54508	1.7
71.01379	23.2
72.99305	1.3
73.02930	0.6
75.44889	0.4
77.03922	0.5
85.02937	2.7
87.00867	0.7
89.02441	15.8
93.03445	8.6
95.01389	1.3
95.05000	0.9
96.99310	3.3
99.00884	0.8
99.29064	0.4
101.02432	5.5
108.02183	0.6
113.02444	6.4
115.00367	25.0
117.03463	1.5
119.03534	5.7
119.05025	12.0
121.02955	0.9
123.04518	20.6
124.29974	0.4
131.03494	0.8
131.04991	1.4
133.01390	1.3
133.02974	0.6
133.06554	0.7
135.04497	0.9
143.03511	1.2
143.04999	5.4
145.02991	3.6
145.06618	0.7
147.04539	0.7
149.04501	0.7
158.03702	0.6
159.04500	1.3
161.04543	4.6
161.05940	1.1
163.04004	8.5
171.04501	0.7
177.05656	0.5
179.05592	10.7
180.05930	0.7
183.08209	0.5
187.04031	0.7
193.25464	0.5
205.05017	0.7
210.06854	11.1
211.07622	100.0
212.08008	6.7
223.07599	5.3
235.07576	1.3
237.09184	7.4
239.10811	2.8
247.07826	0.7
249.83685	0.4
253.08669	1.3
254.69272	0.5
265.08710	10.0
266.08987	0.8
277.05453	0.5
283.09827	1.5
283.98352	0.5
285.09741	1.1
309.07599	4.3
325.10535	1.0
327.08713	30.8
328.09061	3.2
369.09854	4.1
370.10217	0.7
373.12958	1.4
383.09787	23.6
384.09998	1.7
399.10800	2.1
401.10858	10.4
402.11002	0.8
429.11868	6.0
430.12357	1.0
489.14056	16.6
490.14352	2.4
595.18042	2.7
757.23682	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	873.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98599	3.1
61.98835	35.1
65.12831	3.1
70.06034	10.9
71.01068	3.5
71.01388	30.3
72.99287	3.4
83.01337	3.0
85.02962	7.9
87.00866	5.1
89.02442	31.6
91.01472	3.2
93.68174	3.2
96.96011	4.1
97.02981	7.8
98.19949	3.3
101.02437	15.6
113.02435	12.0
113.77244	3.8
116.92834	21.0
119.03461	8.2
119.04994	8.4
121.02972	4.9
125.02441	17.6
143.03517	5.0
163.04031	10.4
179.05582	10.9
242.94196	3.7
247.08150	8.0
273.24234	3.4
277.21609	9.9
320.45135	3.4
397.13361	3.5
406.01694	3.3
559.10583	7.2
559.18774	100.0
560.19153	9.5
571.31628	5.2
577.19995	28.0
762.71771	3.5
837.41223	51.0
838.41534	9.3
873.39069	20.8
874.38208	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	873.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.3
68.01132	0.6
69.03455	1.1
71.01379	28.6
71.05018	0.9
72.99300	1.6
73.02948	8.0
75.00884	0.7
83.01385	5.7
83.05025	1.0
85.02945	14.8
85.06573	0.8
86.00080	1.2
87.00876	3.6
87.64782	0.6
89.02436	6.6
93.07092	3.5
95.01395	2.9
97.02934	1.7
97.06599	0.9
97.32137	0.6
99.00874	3.6
101.02432	20.0
106.04219	0.8
107.04973	0.8
109.06591	0.8
111.00864	2.5
111.08183	0.7
112.01619	1.2
112.07444	0.6
113.02442	13.0
115.03986	0.9
119.03490	2.4
121.06543	0.7
123.04487	1.4
124.01649	1.1
125.02464	1.7
125.09700	0.6
127.07611	1.2
137.09715	0.9
143.03476	2.7
157.05032	0.7
159.02959	1.7
161.04526	3.7
168.00604	0.7
171.13853	0.6
179.05719	0.8
183.13853	0.7
185.15417	2.2
199.17046	0.9
211.16963	0.6
221.06635	3.7
227.16499	5.8
229.18057	3.1
229.38039	0.7
303.23181	0.8
339.25201	0.6
357.26340	2.2
362.19482	1.2
371.09750	0.7
371.20847	3.5
372.21298	0.9
373.22421	1.1
389.21750	9.0
390.22412	1.9
391.23199	1.8
404.20163	0.7
422.21466	2.6
429.24957	1.5
465.28458	1.2
471.29736	0.7
483.29352	1.1
501.30652	100.0
502.31018	13.3
519.31702	56.1
519.40021	1.0
520.32013	7.9
543.31775	1.4
561.32721	77.7
562.33075	11.0
587.30847	1.4
616.78528	0.7
873.46930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02670	26.9
61.98813	99.9
71.50739	39.8
143.95319	26.9
179.38293	27.9
182.39752	27.7
227.20088	86.0
272.43231	30.8
277.21652	100.0
341.23267	77.3
779.53253	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32948	0.2
69.50912	1.2
71.01379	1.4
85.02956	0.4
89.02459	1.9
93.03463	0.6
93.25778	0.2
94.28600	0.2
95.01419	0.2
95.19352	0.2
98.20631	0.3
101.02461	0.9
105.03435	0.2
109.33940	0.2
113.02452	0.6
115.00382	0.6
117.03493	0.2
119.05029	100.0
120.05367	3.8
120.36304	0.2
122.90137	0.2
123.04527	0.3
127.07658	0.2
133.01427	0.2
133.02957	0.4
135.02745	0.3
135.04498	0.2
145.02986	0.2
161.04605	0.3
163.04010	90.2
164.04350	3.8
172.07687	0.2
177.01909	0.5
179.05586	0.4
211.07617	0.6
212.08011	0.2
325.09268	15.9
326.09546	1.3
327.08743	0.6
328.09235	0.2
351.12558	0.2
382.06491	0.2
383.09970	0.3
387.20303	0.3
501.94876	0.2
549.25549	4.7
550.25745	0.6
756.46838	0.2
795.13220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	12.3
71.01377	7.2
71.50422	0.8
73.02943	5.0
73.26281	0.6
83.01377	1.5
83.05009	0.6
85.02958	4.1
88.98824	1.0
89.02438	2.1
92.06449	0.5
96.96004	1.2
99.00906	0.9
99.08153	17.8
99.92586	4.1
101.02438	6.0
101.06077	1.3
111.00901	0.9
113.02439	3.3
116.92857	36.1
117.01938	3.7
117.92893	2.0
119.03524	1.1
123.04515	8.8
125.06116	1.0
127.07653	34.6
128.07979	1.0
129.05573	81.0
130.05911	2.4
153.05569	21.1
154.05907	0.9
161.04549	4.3
161.13338	0.7
167.03471	8.1
171.06628	5.0
182.12923	0.5
184.93506	0.6
197.12817	0.6
221.06558	0.8
241.08690	1.5
250.00879	0.6
263.11313	2.3
291.11002	3.1
311.07623	1.6
327.21844	1.8
328.21985	0.8
359.28049	1.0
417.17627	2.6
435.18658	100.0
436.19049	9.4
439.16119	1.6
457.17044	1.4
463.81839	0.7
477.19904	1.7
503.32166	8.0
504.32202	1.5
521.33203	4.3
522.33649	0.7
563.34210	5.7
607.19501	3.1
611.47321	0.6
875.35150	8.2
876.36353	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	877.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.4
73.02945	1.5
83.01399	0.7
85.02953	1.0
89.02440	2.1
99.08148	0.6
101.02422	3.2
113.02438	2.1
119.03515	1.3
123.04520	1.5
127.07647	69.0
128.07988	1.9
128.56992	0.4
129.05676	0.4
129.85277	0.4
151.36525	0.5
153.05563	1.5
161.04567	0.4
163.03923	0.5
171.06616	48.3
172.06973	1.8
175.08450	0.4
185.06104	0.7
213.05521	4.1
241.05040	22.9
242.05453	1.9
255.06535	0.5
256.07394	11.8
257.07785	1.0
269.70663	0.4
305.15140	0.5
307.13931	0.8
351.12927	100.0
352.13239	6.5
378.09460	0.5
419.13458	17.6
419.29230	0.5
420.13806	2.0
457.17203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.5
66.31003	0.4
69.37260	3.7
70.78173	0.4
71.01378	3.6
73.02939	1.2
83.01426	0.5
85.02945	1.0
89.02448	2.7
91.03949	0.4
95.86301	0.4
98.20602	0.9
99.08180	0.7
101.02420	2.4
101.44292	0.4
113.02455	1.7
119.03482	1.1
122.02638	0.4
123.04485	1.0
127.07644	77.8
128.07979	2.9
129.05530	0.4
153.05589	1.1
155.84018	0.4
161.04512	0.7
163.03981	0.5
171.06615	49.3
172.06984	1.9
179.05531	0.5
195.61925	0.4
211.01059	0.4
213.05522	2.9
241.05043	20.2
241.07503	1.0
242.05420	1.5
256.07397	12.2
257.07825	1.1
305.15036	1.0
307.14066	0.7
339.12592	0.4
351.12930	100.0
352.13223	7.0
419.07941	0.9
419.13431	14.6
419.19006	0.8
420.13824	1.3
457.17380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	25.0
69.03483	1.9
70.02219	3.9
71.01379	2.0
72.99307	1.0
83.05029	2.1
85.85890	0.9
88.93517	0.9
88.98801	2.5
93.03468	4.6
96.96004	1.6
98.19859	1.2
102.78731	0.8
111.08198	4.4
116.92888	1.6
119.05048	2.0
119.08672	4.0
121.06610	5.7
122.03761	1.2
125.09719	2.0
126.91103	0.9
127.11323	1.3
129.31714	0.8
135.08200	1.1
137.09727	7.2
145.02945	1.7
147.04504	1.7
151.04059	1.0
151.07639	1.1
152.08450	1.0
153.09244	1.4
159.04369	1.0
160.08636	1.0
164.11966	1.0
165.05569	100.0
166.05907	3.8
167.10814	1.4
169.12335	1.6
171.10278	31.4
183.10214	1.4
185.11845	8.1
195.10257	1.0
197.11815	18.2
198.12123	1.2
201.11319	2.9
207.87407	0.8
209.15479	2.5
211.13391	4.8
213.11270	2.1
225.05608	1.9
226.06354	1.3
247.20581	1.0
259.13376	8.1
263.20105	1.8
269.11853	1.3
273.18573	4.1
277.14343	1.7
291.19638	16.4
292.20139	1.5
301.08841	1.6
309.17368	2.8
309.20694	75.5
310.20929	5.8
313.14481	3.8
315.10297	2.4
331.15546	2.4
343.09766	10.8
344.10199	1.0
353.08316	1.9
371.09207	35.4
372.09604	2.6
386.11600	33.4
387.11945	4.4
401.13943	75.2
402.14273	9.9
445.72519	1.0
567.24072	1.0
604.43567	0.9
649.23212	1.1
859.44012	1.2
877.45673	6.2
878.45227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	1.3
69.03442	0.6
70.76030	1.0
83.05034	0.5
88.98778	0.5
93.03457	2.5
111.08162	6.6
112.08482	0.5
119.05019	1.1
121.06604	3.3
133.40265	0.5
145.02959	0.7
147.04463	0.9
153.12920	0.4
165.05553	47.4
166.05885	1.9
169.12366	2.2
181.12395	0.5
193.12225	0.4
197.06055	1.1
197.11812	25.5
198.12070	0.9
199.13373	0.9
209.15489	0.9
211.13411	3.1
212.78552	0.4
223.16962	0.8
225.05569	0.8
227.12874	0.8
233.09824	0.8
251.16388	0.6
259.13342	1.6
263.20084	0.9
265.18082	1.0
273.18640	0.5
277.08633	0.6
291.19629	6.6
299.10654	0.9
309.20663	35.8
310.21036	2.7
313.14474	0.5
315.10269	1.8
325.08755	1.3
326.09308	0.6
327.10123	2.0
330.17001	0.4
343.09692	13.3
344.10101	1.2
354.09082	1.9
355.09537	3.1
356.10385	1.5
357.11249	1.0
358.12234	1.4
359.12842	0.4
369.11179	0.9
370.12076	1.5
371.09125	13.3
372.09534	1.7
385.10757	5.6
386.11542	35.2
387.11978	3.9
401.13885	100.0
402.14218	11.6
587.99573	0.4
718.14728	0.5
742.09027	0.5
744.52820	0.5
859.45929	0.7
877.45319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	11.2
67.91787	0.3
68.19897	0.3
71.01384	1.4
72.99314	0.4
79.05550	0.6
81.07084	2.8
83.05031	1.5
85.02946	0.5
88.98804	0.4
93.03462	1.1
94.04256	0.9
95.05035	1.1
96.96020	0.5
98.19895	0.9
100.96076	0.4
101.15992	0.4
109.06596	5.3
113.02441	0.5
113.09747	0.4
115.05523	0.6
119.05092	0.4
121.02975	0.4
121.06621	0.4
123.04530	19.5
124.04839	0.6
125.06061	0.6
127.07659	13.9
128.08011	0.5
131.05032	1.7
133.06618	1.0
137.09744	0.6
138.03235	8.1
139.11310	0.7
147.04526	7.6
148.04790	0.5
153.05579	100.0
154.05928	3.2
161.04654	0.6
161.06076	7.5
165.05573	9.7
165.06915	0.7
166.05856	1.8
171.06631	12.6
171.10252	3.6
172.10548	0.5
185.11713	0.4
189.05569	2.3
197.11832	1.0
211.13521	0.4
219.06516	0.5
259.13309	0.6
260.13699	0.5
291.19736	0.9
292.20035	0.6
293.21249	4.6
309.20633	3.3
310.18036	0.4
310.21045	2.3
311.22211	1.8
343.09760	0.8
344.10242	0.5
371.09232	2.8
372.09583	1.5
386.11600	3.0
387.11810	1.7
401.13873	6.1
401.18658	0.6
402.14240	2.4
403.14761	1.0
406.86865	0.3
439.16086	36.4
440.16498	3.8
611.38177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.9
70.80752	0.7
70.81097	0.6
70.99065	0.4
71.01371	0.9
81.07100	2.6
83.05020	1.4
85.02944	0.5
89.02441	0.6
93.03449	0.6
94.04251	0.6
95.01365	0.4
95.05023	1.2
96.96017	0.3
101.02465	0.6
105.03482	0.3
109.06593	5.1
109.14203	0.3
113.02453	1.4
115.05589	0.3
116.92879	0.4
121.02976	0.7
123.04519	18.1
124.04893	0.4
125.06071	0.5
127.07651	9.9
131.05025	0.6
133.06609	0.4
138.03220	7.7
147.04492	3.9
153.05569	100.0
154.05920	3.0
161.04657	0.5
161.06096	1.4
171.06613	6.7
171.08064	0.4
189.05585	1.3
255.13219	0.3
439.15759	0.5
569.20239	26.3
570.20538	3.9
616.48370	0.4
827.01099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	26.5
71.01369	19.0
71.51179	3.4
72.36957	2.2
72.89651	2.2
72.99300	8.7
78.95908	3.4
83.01391	4.2
84.82893	2.2
85.02975	2.6
87.00880	8.6
87.09750	2.3
89.02427	3.8
93.53703	2.1
94.35030	2.0
99.00890	8.5
101.02432	5.3
111.00895	4.2
112.98804	21.0
113.02465	2.5
115.00348	16.2
129.01953	3.1
142.99852	38.4
145.01341	2.4
153.05502	3.2
156.00641	2.3
173.00870	13.1
174.01672	43.7
175.02473	25.9
183.13837	3.8
193.12291	2.5
201.11314	4.5
209.11752	5.7
211.13367	100.0
212.13799	5.0
223.13338	6.6
235.08160	2.7
237.15031	3.1
245.11714	2.6
253.09285	8.5
255.23367	5.4
263.12708	5.1
277.21695	74.5
278.21945	7.0
397.13303	3.2
447.22409	13.0
628.43817	2.3
763.42773	9.5
803.42511	3.3
821.42645	3.2
845.48346	2.5
863.43787	3.4
870.55896	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	885.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98588	0.2
61.98832	1.8
69.03451	0.4
69.40559	0.2
71.01379	19.6
72.01707	0.3
72.99306	1.0
73.02940	5.2
75.00877	0.6
81.03453	0.3
83.01378	2.0
85.02942	6.1
86.00091	0.5
87.00873	3.7
88.98798	0.4
89.02441	11.8
92.89238	0.2
95.01394	1.3
97.02931	0.8
99.00876	1.2
101.02438	13.9
102.02768	0.3
106.05324	0.2
111.00861	0.2
113.02447	7.4
115.04047	0.2
119.03500	4.5
119.04865	0.2
123.04518	0.6
125.02425	1.0
127.07698	0.3
129.01971	0.2
131.03496	3.8
134.06142	0.2
141.01932	0.2
143.03491	0.7
149.04555	0.3
153.05553	0.3
159.02972	0.5
160.43668	0.2
161.04549	4.6
171.06613	0.3
179.05608	1.5
210.85890	0.2
221.06645	4.5
223.16986	1.3
275.20135	1.6
277.21664	0.7
293.21268	2.6
437.25348	0.5
455.26474	3.5
456.26559	0.4
526.58032	0.2
599.30640	1.2
600.31403	0.3
617.31708	100.0
618.32056	15.4
857.51996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.4
69.03452	0.7
71.01382	13.8
71.50418	0.6
72.99306	1.0
73.02964	2.3
79.07050	0.4
80.02669	0.9
81.03450	1.7
83.01378	1.6
83.05023	5.6
84.02145	0.9
85.02940	3.6
87.00874	3.7
89.02444	11.1
95.01387	1.1
95.05001	0.5
97.02948	2.3
97.06598	0.5
99.00887	0.6
101.02446	10.8
111.04504	0.4
113.02444	6.3
119.03499	3.4
125.02438	5.0
125.06087	0.5
126.47795	0.4
131.03555	0.6
135.08170	0.7
143.03484	2.4
145.05005	0.5
161.04602	2.8
163.11269	5.2
164.11607	0.4
165.12823	2.4
167.03526	0.5
179.05589	4.1
181.12390	0.7
191.10750	1.2
199.06023	0.5
199.13374	0.8
207.10233	0.4
209.11813	100.0
210.12180	4.7
211.13391	0.5
217.07117	0.9
221.06660	1.8
225.11285	0.9
227.12875	13.1
228.13190	0.5
235.08199	4.3
251.12814	0.8
253.09343	0.6
275.20035	0.5
277.21707	41.0
278.22046	4.1
287.07748	1.4
299.02106	0.4
305.08670	1.9
323.09799	1.1
379.12469	5.7
397.13483	32.4
398.13867	2.9
415.14545	7.8
416.14587	0.6
545.12677	0.4
589.25232	0.7
607.26080	1.2
885.47699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.7
62.92754	0.5
65.18016	0.5
69.03453	1.1
69.58259	2.9
71.01382	14.7
72.82281	0.5
72.99296	1.8
73.02957	2.2
78.96735	0.4
80.02695	0.8
81.03456	2.0
83.01392	2.6
83.05025	5.1
83.05506	0.6
84.02093	0.4
85.02957	3.6
87.00881	4.2
89.02447	12.4
95.01385	1.3
95.05047	0.8
97.02965	2.4
99.00890	1.0
99.86302	0.5
101.02444	11.5
108.70334	0.5
111.04511	0.7
113.02463	6.0
115.03997	0.7
119.03505	3.1
124.01672	0.5
125.02444	4.8
125.06058	0.8
127.68705	0.4
135.08179	0.7
139.04012	0.9
139.77545	0.5
139.94615	0.5
143.03493	2.5
161.04533	2.8
163.11276	3.7
165.12843	1.9
179.05602	3.6
179.74991	0.4
181.12387	0.9
191.10721	1.2
209.11827	100.0
210.12151	5.7
217.07214	0.6
221.06659	0.9
227.12888	12.6
228.13152	0.7
235.08229	4.5
253.09238	0.7
263.07776	0.5
277.21719	48.9
278.22012	4.7
287.07733	1.7
305.08847	1.8
306.08234	0.5
323.09824	1.0
379.12494	6.2
394.02393	0.5
397.13492	35.4
398.13809	3.7
415.14639	8.0
416.14951	1.0
461.07013	0.5
546.40576	0.6
607.26141	1.2
612.50977	0.5
625.93732	0.5
675.35706	0.6
807.95886	0.5
885.48108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.99251	0.2
67.52586	0.1
71.01392	0.3
83.01431	0.2
98.19882	0.3
101.02463	0.2
107.60571	0.1
115.00451	0.1
123.04529	0.1
127.07658	0.2
133.11374	0.1
143.53159	0.1
153.05563	0.4
163.04005	0.2
171.06673	0.1
179.05675	0.2
227.13036	0.2
229.14278	0.2
346.41287	0.1
363.50595	0.1
439.16260	0.3
483.78482	0.1
555.24261	0.9
618.35449	0.5
619.22717	0.2
649.63702	0.1
663.72620	0.1
837.51941	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	886.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.97881	0.2
68.75742	0.2
69.34171	0.8
69.34577	0.3
80.96510	0.3
94.12892	0.2
99.09384	0.2
182.71158	0.2
200.04779	0.2
248.72110	0.2
267.09424	0.2
280.48706	0.2
615.81085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33891	1.3
69.34318	0.8
71.01366	1.5
71.05005	2.7
85.74358	0.3
87.04508	2.1
97.98974	0.3
99.04510	10.3
99.08147	3.2
103.00366	5.6
105.01904	0.6
115.04012	7.1
115.07640	1.5
117.05571	5.3
143.07117	4.3
154.46027	0.3
155.32863	0.3
161.08182	100.0
162.08527	2.9
174.91083	0.3
203.09235	18.4
204.09605	0.7
247.08194	0.8
255.75885	0.3
285.04153	0.6
298.01196	0.3
313.03412	0.6
315.05106	0.6
384.14032	0.3
477.10330	0.5
639.15576	1.3
712.48608	0.3
830.23840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85530	0.4
70.85847	0.4
71.01379	12.7
72.99297	1.1
74.06327	0.3
74.69569	0.2
79.05534	0.5
81.07085	2.9
83.01400	0.5
83.05029	1.2
85.02940	2.0
87.00878	0.7
89.02439	14.9
90.70897	0.3
93.03453	0.6
94.04269	0.5
95.01392	0.6
95.05003	0.5
101.02438	6.6
109.06580	6.2
113.02439	5.0
119.03493	5.4
121.02940	0.4
123.04520	16.3
124.04842	0.4
125.06042	0.3
127.07648	36.4
128.07999	1.0
131.03542	0.7
138.03221	7.4
143.03456	1.3
153.05566	100.0
154.05919	3.3
161.04524	2.7
171.06615	26.8
172.06981	0.9
179.05598	17.9
180.05841	0.4
214.67896	0.3
285.09875	0.3
308.13269	0.3
333.11829	1.3
351.13007	1.0
405.13895	0.4
439.16049	90.9
440.16406	8.2
619.22351	49.0
620.22681	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	887.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55555	0.3
69.57384	1.9
71.01378	8.6
72.99300	0.4
73.02939	2.5
77.03957	0.7
81.07078	0.9
83.01372	1.0
85.02949	4.0
87.00872	0.5
89.02447	1.8
93.03445	0.4
93.97874	0.3
94.04253	0.4
95.01391	0.7
95.05028	2.7
99.00873	1.2
101.02435	4.6
105.03442	1.6
109.06581	1.6
113.02431	4.1
119.03493	0.5
121.02959	0.9
123.04517	100.0
124.04864	3.0
127.06718	0.5
127.07645	7.5
138.03226	2.6
143.03497	0.6
149.02402	0.9
153.05569	25.5
154.05864	0.7
159.02986	1.3
161.03261	0.6
161.04544	9.9
162.05009	0.3
171.06616	4.5
175.09778	0.7
179.05544	1.4
189.05605	0.3
213.07785	0.4
243.55928	0.4
249.13483	0.4
267.08722	2.5
285.09784	43.2
286.10092	2.8
348.51022	0.3
358.64523	0.3
391.13959	15.8
392.14139	1.3
429.13986	2.0
439.16052	6.6
440.16718	0.7
444.17508	0.4
498.72797	0.4
545.20593	0.7
553.19299	0.9
554.20636	0.3
619.22784	0.6
707.25385	3.9
708.25879	0.7
887.31982	3.1
888.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11728	0.5
69.17817	3.5
69.18243	2.6
71.01381	15.3
72.99266	0.7
73.02931	2.2
83.01376	2.1
85.02954	7.9
87.00880	1.0
89.02449	7.2
95.01393	1.8
95.05003	1.4
97.02917	1.0
99.00886	4.4
99.08160	25.7
100.08484	0.8
101.02441	13.5
105.03430	0.7
113.02451	9.6
119.03487	3.8
123.04522	46.8
124.04826	2.2
125.02454	1.0
127.07652	34.6
128.08060	1.1
128.15497	0.6
129.05582	42.9
137.02432	1.1
138.03215	1.0
143.03479	2.8
153.05568	24.1
158.48935	0.6
159.02924	0.7
161.04553	9.1
171.06642	5.6
179.05545	1.1
189.07701	4.1
195.43851	0.7
221.06619	1.0
245.06572	1.0
285.09818	5.6
285.12735	0.9
286.10114	0.7
323.09814	17.6
323.13699	0.8
324.10196	0.8
439.16077	1.0
447.15091	10.6
448.15228	1.6
457.17136	41.8
458.17401	6.2
531.59253	0.7
554.14447	0.8
619.22394	100.0
620.22729	17.4
620.77087	0.7
656.49408	0.8
734.20477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.2
71.01376	18.8
71.27642	1.3
72.99289	2.1
73.02952	3.9
77.38528	0.6
83.01385	1.6
85.02945	6.5
87.00861	1.5
89.02437	20.9
95.01358	2.0
95.05000	2.7
97.02895	1.7
99.00873	1.6
99.08151	41.4
101.02435	15.3
105.03439	1.6
109.06577	1.3
113.02449	9.2
114.02804	0.8
119.03484	8.4
123.04517	87.8
124.04852	2.3
125.02452	8.6
127.07645	66.5
128.07941	2.1
129.05574	65.1
130.05904	1.3
131.03461	2.0
138.03212	1.0
143.03488	2.7
146.56264	0.6
149.02368	0.9
153.05565	49.2
154.05870	1.9
159.02980	0.8
161.04555	6.8
171.06627	11.0
172.07050	0.7
179.05603	3.9
189.07735	3.8
221.06625	3.6
245.06616	1.2
263.07593	1.5
285.09781	11.0
323.09790	27.8
324.10138	2.1
337.54077	0.8
365.10699	1.1
376.27383	0.7
439.16101	2.7
447.15109	5.9
448.15692	1.0
457.17105	69.2
458.17426	7.8
601.21631	1.4
619.22375	100.0
620.22754	17.2
849.90881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	8.3
67.46370	0.5
69.43110	0.5
71.01382	11.0
71.50131	0.9
72.99306	1.3
73.02949	2.9
83.01353	1.2
85.02940	4.1
87.00854	2.9
88.98779	0.7
89.02447	5.8
93.03481	0.6
95.01376	0.8
96.95985	0.6
99.08158	1.6
101.02433	5.8
109.06573	1.9
113.02444	4.0
119.03476	1.9
123.04513	7.6
125.02452	1.0
127.07662	11.1
129.05582	1.2
138.03220	2.0
143.03474	0.8
153.05573	24.0
154.05830	1.3
161.04507	1.4
163.04010	0.8
171.06610	6.8
175.28712	0.7
179.05603	4.7
285.09784	0.7
309.24329	1.4
327.25385	29.3
328.25687	2.3
353.26962	1.7
365.26987	0.8
439.16028	19.0
440.16354	2.2
515.32257	10.8
516.32159	1.0
533.33295	33.1
534.33655	4.3
557.33136	1.6
575.34320	100.0
576.34583	14.8
618.32013	1.1
619.22516	9.4
619.32184	2.0
620.22870	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	887.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.5
69.03437	0.5
69.15274	0.5
69.15692	1.4
71.01377	16.4
71.48575	0.2
72.01714	0.3
72.99313	1.0
73.02564	0.3
73.02946	4.1
75.00864	0.3
83.01381	1.6
85.02950	5.5
86.00079	0.5
87.00874	3.0
88.98812	1.6
89.02441	10.1
95.01356	1.2
96.96003	0.2
97.02923	0.8
98.20674	0.4
99.00866	1.0
101.02435	12.1
102.02750	0.3
105.34609	0.2
109.06610	0.3
111.00838	0.3
113.02448	6.5
116.06238	0.2
119.03490	3.8
121.60748	0.2
123.04545	0.9
124.01609	0.3
125.02448	1.0
127.07638	1.6
129.05544	0.3
131.03491	2.8
132.03792	0.2
138.03242	0.4
143.03505	1.1
149.04558	0.2
153.04335	0.2
153.05565	4.4
159.02957	0.6
161.04553	3.9
163.07713	0.3
171.06615	1.1
179.05586	1.7
185.56905	0.2
221.06638	3.8
222.07039	0.2
223.17033	1.1
236.72720	0.2
277.21667	2.6
278.22089	0.2
295.22763	3.1
296.23138	0.3
319.22717	0.2
327.25317	0.3
384.94934	0.2
439.16055	3.9
439.26898	0.9
440.16321	0.3
457.28052	6.3
458.28442	0.8
533.33496	0.4
575.34149	1.4
601.32092	1.7
616.01746	0.2
619.33240	100.0
620.24542	0.5
620.33612	13.9
783.44354	0.3
801.47144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	8.3
67.46370	0.5
69.43110	0.5
71.01382	11.0
71.50131	0.9
72.99306	1.3
73.02949	2.9
83.01353	1.2
85.02940	4.1
87.00854	2.9
88.98779	0.7
89.02447	5.8
93.03481	0.6
95.01376	0.8
96.95985	0.6
99.08158	1.6
101.02433	5.8
109.06573	1.9
113.02444	4.0
119.03476	1.9
123.04513	7.6
125.02452	1.0
127.07662	11.1
129.05582	1.2
138.03220	2.0
143.03474	0.8
153.05573	24.0
154.05830	1.3
161.04507	1.4
163.04010	0.8
171.06610	6.8
175.28712	0.7
179.05603	4.7
285.09784	0.7
309.24329	1.4
327.25385	29.3
328.25687	2.3
353.26962	1.7
365.26987	0.8
439.16028	19.0
440.16354	2.2
515.32257	10.8
516.32159	1.0
533.33295	33.1
534.33655	4.3
557.33136	1.6
575.34320	100.0
576.34583	14.8
618.32013	1.1
619.22516	9.4
619.32184	2.0
620.22870	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	888.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98537	0.2
68.89155	0.1
69.14160	1.1
71.01392	0.7
73.02970	0.2
83.01430	0.1
85.02948	0.2
88.98771	0.2
89.02415	0.1
92.79867	0.1
95.01434	0.1
95.05029	0.2
99.00903	0.1
99.08160	0.4
101.02456	0.4
113.02460	0.4
119.05048	0.2
123.04501	1.0
125.84371	0.1
127.07670	0.7
129.05585	0.4
137.02449	0.2
153.05559	1.4
154.05983	0.4
156.89339	0.1
161.04575	0.4
161.09749	0.2
161.13347	1.1
163.03978	0.2
163.11279	0.2
171.06699	0.2
179.05606	0.2
187.11266	0.3
205.12309	1.5
207.10333	0.3
221.06602	1.1
223.13292	0.9
249.11290	0.8
257.08365	0.1
267.12271	0.6
306.51419	0.1
309.13171	0.2
367.17679	0.3
371.10098	0.2
439.16293	0.4
440.16690	0.3
442.35498	0.1
457.17496	0.2
458.17670	0.2
478.04724	0.1
499.18451	0.4
517.20703	1.9
535.21777	5.1
540.59082	0.1
557.22815	0.2
577.22742	2.1
620.22894	0.3
888.34296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53551	0.5
69.78220	0.4
69.84552	0.9
69.84966	1.4
71.01387	14.7
72.99310	1.3
77.08441	0.5
89.02431	0.7
93.03473	0.8
99.08166	0.5
100.87933	0.4
105.01937	5.1
115.00378	17.4
119.05031	48.6
120.05379	2.3
129.05518	0.4
133.01436	41.0
134.01778	1.0
137.23674	0.4
156.56714	0.5
163.04012	100.0
164.04340	4.5
172.70560	0.4
189.07715	0.6
197.65149	0.4
255.02982	2.0
279.05121	7.3
283.02515	3.3
283.09930	0.7
284.03131	0.7
285.03885	3.2
318.02313	0.5
327.08820	3.2
328.09338	0.5
443.09818	1.2
447.09357	1.7
609.14819	4.3
610.14972	0.8
651.10443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.7
71.01365	1.2
98.20640	1.6
99.04527	3.6
103.00358	1.1
103.44957	0.5
111.04552	2.8
113.02442	0.8
113.06054	1.1
123.04512	2.6
125.06159	0.6
135.11852	0.7
150.06857	0.8
161.04579	0.8
161.13358	25.3
162.13680	1.8
167.32027	0.6
187.11295	6.3
194.91862	0.6
203.10933	0.7
205.12329	49.5
206.12685	3.5
218.94136	0.7
223.13408	1.5
248.32343	0.6
249.11320	28.2
250.11696	1.8
267.12506	0.7
309.13470	6.1
367.17606	7.2
368.17886	0.9
393.15369	0.9
411.16672	2.3
471.18777	0.9
517.20770	100.0
518.21112	16.5
533.24268	1.5
535.21973	1.8
577.22888	42.5
578.23151	8.8
826.48663	0.6
885.95117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.5
71.01390	2.7
73.02959	1.0
81.07110	1.2
83.04984	1.3
99.04503	4.8
101.02446	1.5
107.05019	1.2
113.02436	1.9
123.04519	2.8
135.11806	2.1
161.04520	3.9
161.09775	1.5
161.13354	55.2
162.13696	3.6
163.11197	1.8
187.11339	5.4
205.12318	55.0
206.12617	4.2
207.10190	1.5
221.06657	6.3
223.13379	5.6
249.11295	35.6
250.11746	2.2
267.12360	3.0
309.13376	6.5
367.17639	9.7
371.09900	1.1
393.15408	1.6
411.16711	1.8
416.01276	0.9
471.19070	1.5
498.81140	1.1
517.20746	100.0
518.21002	16.3
533.24066	2.4
535.21777	25.3
535.28455	0.9
536.22174	3.4
577.22833	61.1
578.23309	13.3
660.42804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	10.3
69.03467	2.0
69.31659	6.8
69.32076	6.0
71.01376	17.7
72.99308	1.8
73.02946	2.3
78.95899	28.1
83.01363	1.8
85.02946	4.9
87.00867	3.9
89.02436	14.3
96.96964	3.2
97.02926	3.4
98.20671	3.3
101.02436	15.9
104.61800	1.8
113.02471	8.4
119.03468	3.9
123.05722	1.8
125.02451	6.6
128.36043	1.8
143.03549	4.3
152.99573	36.8
161.04530	4.1
166.20512	1.6
171.10251	100.0
172.10594	3.1
179.05594	3.8
204.60428	1.6
235.08202	3.8
272.20898	1.9
277.21692	76.7
278.22049	6.5
287.07813	2.2
289.04770	1.8
305.08725	3.0
323.09698	2.2
379.12543	14.8
397.13455	47.9
398.13889	3.8
415.14813	7.9
418.00656	1.6
433.23636	9.3
535.18481	3.2
551.23358	2.4
569.24518	2.9
657.34882	2.3
675.35413	2.4
843.29364	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	9.6
64.96046	1.0
68.83656	1.1
69.03417	1.5
71.01379	17.3
73.02940	2.7
78.95897	25.0
83.01386	2.4
85.02951	3.8
87.00854	4.4
89.02440	14.3
95.01385	1.6
96.96935	2.3
97.02935	2.8
98.20707	1.9
99.00890	1.6
101.02442	12.2
113.02440	7.7
116.92864	1.1
119.03482	2.7
125.02441	6.4
127.11256	1.5
131.58179	1.0
143.03458	2.9
152.99570	29.1
161.04523	3.8
171.00603	1.1
171.10257	100.0
172.10583	2.6
179.05525	1.8
192.68944	1.2
209.11797	1.8
221.06616	1.4
235.08250	4.9
259.08139	1.1
277.21695	52.0
278.21979	4.8
287.07803	2.0
305.08810	2.5
323.09854	1.4
379.12405	15.3
380.12952	1.2
397.13507	43.4
398.13632	2.5
415.14407	8.3
433.23682	7.5
535.09979	1.0
535.18433	4.4
551.23511	3.0
557.04187	1.1
569.24567	3.5
675.35962	2.0
889.46259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	8.5
64.03678	0.6
64.88146	0.6
69.25210	6.4
71.01382	10.3
72.99311	1.5
73.02973	0.9
75.00906	0.6
83.01391	0.8
83.05030	1.1
85.02950	2.0
87.00883	0.9
88.98806	1.6
89.02442	3.9
94.78101	0.6
95.01364	1.3
97.02940	0.9
99.00890	0.7
99.08116	0.7
101.02428	6.7
103.05549	1.7
109.06587	2.3
113.02450	10.2
113.31639	0.7
115.05544	4.6
119.03505	8.5
119.05017	2.3
121.02917	0.6
123.04515	8.1
123.15510	0.7
127.04020	1.7
127.07654	9.6
131.03542	0.7
131.05017	12.0
133.06606	7.7
138.03232	3.0
143.03491	1.9
143.05080	1.4
145.06538	2.8
147.04515	100.0
148.04846	3.7
153.05569	88.3
154.05936	2.6
161.04581	14.5
161.06079	66.8
162.06363	2.5
163.07707	0.9
171.06613	2.4
173.06017	1.7
175.07660	1.3
189.05573	21.7
190.06058	1.1
199.86798	0.7
201.05592	2.5
219.06563	4.4
237.07695	2.5
241.05252	0.9
249.07678	3.9
285.09790	2.0
291.08801	1.3
309.09766	10.6
433.15289	1.2
439.15955	4.9
440.16153	1.1
457.16907	1.0
481.16873	4.2
675.33710	0.8
749.26642	18.4
750.27100	3.7
776.30292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	39.1
71.01360	10.9
71.50521	2.1
71.50874	2.1
73.02934	3.7
75.00841	2.5
76.90386	1.9
83.05041	2.2
85.02955	4.8
87.00900	2.3
88.98797	14.0
89.02438	3.6
90.67056	1.7
95.05034	2.6
96.96011	3.1
99.08155	27.1
101.02418	6.8
113.02447	3.0
116.92854	4.3
121.02906	2.1
122.07227	1.9
123.04521	94.7
124.04829	3.1
127.04001	2.3
127.07648	57.8
128.07953	3.6
129.05569	37.0
130.05913	2.3
134.03764	2.3
138.03253	3.4
138.65166	1.6
146.25720	1.7
147.04494	20.6
153.05565	95.0
154.05919	3.4
154.17451	1.8
161.04533	4.7
165.05551	2.2
171.06583	14.4
189.07597	4.3
193.05006	2.9
203.05629	2.0
205.12282	2.8
207.13922	3.9
221.06593	4.6
226.06329	2.6
248.72749	2.2
251.12816	2.9
285.09927	4.0
308.27158	1.9
342.23587	2.9
415.13916	12.7
439.16013	11.8
440.16348	3.2
457.17099	100.0
458.17468	10.7
539.21851	2.3
578.36682	2.2
587.21228	99.0
588.21643	16.0
622.34973	2.8
623.34985	4.0
761.26379	2.6
891.29095	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	891.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	16.6
71.01376	2.7
73.16884	0.9
75.80790	1.0
89.02448	1.5
98.19892	3.9
99.04521	13.9
99.08179	1.1
103.00375	1.2
109.61216	1.0
123.04528	5.4
127.07632	3.6
129.05588	1.3
153.05548	2.5
161.04584	1.1
161.13370	4.6
162.13660	1.4
163.14923	1.5
165.12880	1.7
171.06647	1.1
175.53140	0.9
189.12915	4.6
205.12291	4.0
206.12700	1.5
207.13892	53.6
208.14240	2.5
209.11751	2.9
221.06815	1.1
229.97765	1.6
233.11716	1.2
249.11252	1.2
250.11504	1.3
251.12865	60.6
252.13290	2.8
269.13907	2.7
311.15021	13.6
369.19073	5.9
395.16873	1.3
412.72958	1.2
413.18170	3.0
421.92624	1.0
439.16016	1.2
457.17203	4.2
473.20215	1.7
518.21149	1.6
519.22290	100.0
520.22607	14.0
535.25592	1.7
537.23041	4.1
577.22083	1.0
578.23206	3.8
579.24390	81.7
580.24817	12.5
605.21869	1.3
623.33850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.5
78.98530	0.7
85.02934	1.0
93.03448	0.6
95.05034	2.8
99.08161	19.6
101.02422	1.6
109.06567	1.0
110.02473	1.7
112.04044	8.5
113.02439	1.4
122.06129	2.0
123.04524	46.7
124.04046	6.4
124.04832	0.9
127.07652	26.5
128.08018	1.0
129.05579	30.8
140.07167	2.3
141.13446	0.6
153.05571	21.8
153.06763	1.3
161.04555	1.7
165.94949	0.6
166.05087	100.0
167.05490	3.8
171.06636	4.6
184.06142	18.9
189.07713	2.4
192.53070	0.6
208.06161	1.5
211.07050	0.6
281.53104	0.6
285.09845	4.3
290.81186	0.7
328.10391	3.1
439.16104	2.5
452.15567	18.7
453.16034	1.8
457.17133	72.2
458.17389	8.1
624.22906	15.4
625.23486	1.9
641.31091	0.8
867.80652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85696	0.9
71.01383	3.7
73.02936	0.9
84.04529	0.6
85.02946	1.5
89.02437	0.5
95.05016	2.4
99.08154	16.0
101.02425	1.5
105.03447	0.5
109.06586	1.3
110.02482	1.4
110.76804	0.4
112.04049	9.9
113.02444	1.8
121.02941	0.5
122.06099	1.6
123.04522	51.4
124.04050	7.6
124.04868	1.4
126.42391	0.5
127.07648	25.0
128.07994	1.0
129.05576	22.6
130.05882	0.7
138.03200	0.7
140.07137	3.3
147.06602	0.5
149.02457	0.6
151.02800	0.5
153.05569	26.0
154.05984	0.6
161.04556	1.9
166.05083	100.0
167.05441	3.3
171.06630	4.1
180.06593	0.4
184.06137	21.4
185.06543	0.6
189.07664	2.0
208.06067	2.2
285.09750	5.8
287.34909	0.4
328.10422	2.2
439.15973	2.4
452.15540	11.4
453.15851	0.8
457.17117	59.8
458.17523	5.9
485.24518	0.6
494.16623	0.7
624.22876	26.1
625.23444	3.4
639.33307	0.4
741.37823	0.5
892.32373	1.3
893.32257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51205	19.3
71.01393	7.5
81.75954	3.1
85.02938	5.9
98.20715	6.0
99.08154	81.1
100.08380	2.6
101.02427	8.2
113.02394	6.8
123.04529	66.8
127.07652	92.4
129.05571	66.7
153.05576	77.1
161.04539	6.1
171.06622	19.5
263.11313	12.1
285.09747	13.2
361.97937	3.2
435.18649	55.0
435.58630	3.1
436.19095	8.1
457.17102	100.0
458.17346	11.6
509.14627	5.0
735.29626	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	893.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37878	1.0
70.60464	2.0
70.60828	2.3
71.01387	18.9
72.99269	1.5
73.02944	5.8
74.56731	0.9
83.01382	3.5
83.05019	2.4
85.02959	8.8
87.00886	1.4
88.98789	2.8
89.02432	2.7
94.93909	1.1
97.02942	1.5
97.06580	1.6
99.00887	2.4
101.02431	10.8
111.00883	2.2
113.02457	7.8
116.92842	2.4
119.03514	1.3
119.05025	1.2
123.04489	1.7
125.02411	1.5
127.03996	4.4
127.07687	1.7
147.04498	2.7
157.53255	0.9
159.02936	1.2
161.04549	3.8
165.05566	1.2
201.67288	0.9
213.18495	1.3
221.06628	2.4
253.73576	1.1
266.99249	0.9
272.77725	0.9
274.08469	1.1
281.24457	1.0
293.25043	1.2
305.25024	2.0
341.26892	3.1
365.55090	1.0
467.30066	4.8
468.29883	1.5
485.31204	40.8
486.31662	5.9
503.32260	41.4
504.32428	3.9
545.33282	100.0
546.33624	13.2
571.31531	3.4
589.32178	3.2
660.22351	1.2
704.33679	1.3
849.45514	1.4
893.39410	9.4
894.38922	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	894.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50333	49.9
78.95914	58.8
83.96822	36.4
109.02627	39.6
111.23708	39.2
119.05067	46.5
124.78725	41.5
129.01880	70.1
152.99615	54.1
163.03973	100.0
182.66660	37.3
209.11890	43.7
255.23297	92.3
256.23608	59.8
358.22873	43.6
483.27859	52.4
484.27319	51.1
534.29858	44.4
621.97052	63.6
831.48120	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65308	0.8
69.03457	1.4
69.17347	9.4
71.01379	17.9
73.02956	6.2
76.67799	0.9
83.01397	2.8
85.02950	9.1
87.00871	1.5
88.98791	1.8
89.02457	3.1
95.01396	2.5
95.59026	0.9
97.02954	1.3
98.19959	2.7
99.00886	2.9
99.08146	1.0
101.02438	12.8
104.41409	1.3
111.00906	1.4
113.02454	9.7
116.92820	1.3
121.10243	2.1
123.04523	6.7
125.02422	1.1
127.07661	2.7
129.05595	3.4
153.05608	5.2
153.75496	1.0
161.04524	4.9
171.06631	0.9
185.15472	3.2
187.09729	1.6
221.06641	2.9
307.17429	1.0
343.28598	1.3
347.20859	1.3
373.54086	1.1
432.96826	1.1
455.19119	3.0
457.16974	1.2
481.17606	1.4
487.32715	59.3
488.33185	6.5
505.33810	34.9
506.34052	5.9
541.31531	2.0
547.34857	100.0
548.35199	16.5
573.32855	3.2
591.34003	5.5
592.34241	1.2
859.44061	2.2
895.40753	12.8
896.40839	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	895.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.5
69.64069	5.6
71.01376	41.4
72.99303	4.0
73.02945	8.1
82.62816	1.2
83.01386	13.4
85.02942	14.7
87.00868	59.4
89.02435	34.7
95.01390	4.0
97.02927	2.6
98.20627	2.3
99.00876	1.7
101.02444	24.9
111.00838	1.5
113.02447	33.3
115.04028	1.7
119.03504	11.2
121.10220	1.9
125.02406	1.9
125.06057	1.7
129.01892	1.6
141.01903	3.5
143.03488	9.5
161.04530	16.8
165.05556	3.8
171.10272	4.9
179.05600	15.1
189.62613	1.4
239.79874	1.3
273.22189	5.6
275.20126	10.3
277.21689	100.0
278.22061	8.4
284.52100	1.2
287.63718	1.2
291.23260	22.5
293.21240	12.2
295.19238	1.5
301.21707	3.0
319.22748	15.9
320.23053	1.7
323.09818	46.5
324.10223	2.8
341.10846	96.9
342.11224	5.5
349.23679	1.5
462.37634	1.4
563.19806	1.5
579.19873	3.4
579.27759	1.8
601.32233	27.4
602.32458	2.9
742.95770	1.4
753.83173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30710	3.7
71.01377	3.7
72.99297	0.6
73.02927	0.6
83.05048	0.4
85.02957	1.9
88.98817	0.6
89.02436	2.2
94.38622	0.4
95.05008	0.9
98.20675	0.7
99.08157	20.3
100.08496	0.5
101.02416	2.3
109.06579	1.4
113.02444	1.8
115.00404	0.5
119.03476	0.7
123.04522	51.4
124.04865	1.4
125.02434	0.4
127.07649	38.8
128.07968	1.8
129.01955	1.0
129.05577	31.8
130.05948	1.0
138.03227	1.4
143.03473	0.6
149.02383	0.5
153.05569	26.6
154.05849	1.4
161.04584	3.1
161.59062	0.5
171.06628	7.1
179.05595	1.5
189.07733	1.5
193.05080	0.7
218.78128	0.4
285.09830	3.4
304.12109	0.5
359.67786	0.5
387.05597	0.5
439.15939	1.3
457.17117	100.0
458.17432	10.6
465.75940	0.4
499.18054	2.6
549.20294	0.5
619.22211	1.4
897.34918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36650	0.5
69.89060	3.1
71.01379	2.1
77.03967	0.5
83.05074	0.5
85.02943	1.6
88.98781	1.2
89.34612	0.5
95.05016	2.5
99.08151	17.3
100.08501	0.6
101.02427	1.2
101.06065	0.8
105.03478	0.7
109.06615	0.6
113.02458	1.4
123.04521	64.0
124.04848	2.0
125.06122	0.8
127.07652	37.1
128.07993	1.4
129.05577	100.0
130.05894	2.3
131.51309	0.6
132.52003	0.5
138.03224	0.8
139.99582	0.6
149.02448	0.6
153.05566	36.9
157.93680	0.6
161.04506	2.9
165.84685	0.6
171.06609	7.6
189.07660	3.3
285.09842	5.5
291.10834	8.7
292.11346	0.8
327.10901	0.9
333.11932	3.5
357.84799	0.5
400.34247	0.6
439.16086	3.1
457.17130	64.9
458.17557	5.4
499.18402	2.2
629.24341	2.1
755.10303	0.7
791.29254	1.1
897.33990	5.5
898.34326	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	897.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65174	0.2
71.01382	2.0
73.02940	0.4
81.07085	0.2
83.01387	0.3
83.05019	0.5
85.02938	1.2
88.98839	0.4
89.02439	0.5
95.01328	0.2
95.05014	1.3
99.00874	0.4
99.08155	21.4
100.08496	0.6
101.02418	1.2
101.06087	0.4
105.03461	0.3
109.06618	1.1
113.02464	1.0
118.08536	0.2
121.02977	0.2
123.04518	51.7
124.04863	1.5
127.07646	39.0
128.07979	1.4
129.05576	42.0
130.05904	0.9
138.03172	0.5
143.03552	0.3
143.30527	0.2
149.02419	0.3
153.05568	26.8
154.05891	1.0
159.03044	0.3
161.04562	3.0
171.06618	6.1
172.36629	0.2
189.07701	1.9
285.09760	4.0
291.11011	0.3
439.15842	0.7
457.17111	100.0
458.17426	11.0
499.18219	3.7
500.18625	0.3
591.30188	0.4
616.77972	0.3
629.24396	0.4
897.33557	3.2
898.34216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.0
71.27367	0.7
73.02922	0.4
73.28391	0.3
83.05027	0.4
85.02955	0.9
88.98801	0.4
93.40562	0.3
95.01315	0.3
95.05035	1.1
99.08157	19.8
100.08487	0.6
101.02467	0.9
105.03403	0.3
109.06595	0.8
113.02437	0.9
114.01436	0.3
123.04523	46.8
124.04872	1.7
127.07654	34.5
128.08002	0.9
129.05577	39.7
130.05902	0.8
138.03220	0.9
149.02425	0.3
153.05569	24.1
154.05916	0.7
161.04565	2.0
164.20609	0.3
171.06621	5.7
172.07036	0.3
189.07724	1.8
285.09781	3.3
439.16254	0.8
451.08936	0.3
457.17136	100.0
458.17499	10.6
499.18280	3.0
725.27124	0.6
897.33984	3.7
898.34351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	43.5
71.50508	5.1
71.60904	3.0
73.02939	6.3
73.66463	3.2
73.84429	3.3
74.24481	3.2
79.32370	4.3
85.02946	10.8
87.00866	21.7
89.02444	43.2
94.87299	3.1
97.02930	8.6
101.02444	35.6
113.02462	19.5
114.03831	3.8
119.03520	7.0
125.02451	8.7
143.03477	7.3
143.05701	3.5
147.04550	4.5
161.04518	8.5
179.05559	14.3
209.09851	3.5
211.13213	3.6
221.06697	7.3
235.07942	4.3
241.05157	3.9
269.40186	3.8
277.21671	16.6
278.21896	3.8
362.81644	3.9
379.12234	10.8
397.13632	20.3
397.18234	3.7
518.51837	3.4
524.62781	3.7
559.18762	100.0
560.19159	11.1
569.80084	3.8
577.19934	28.8
837.40063	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	899.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.3
71.50602	0.3
71.63373	0.2
77.09933	0.2
79.27932	0.2
89.02389	0.2
91.67087	0.2
92.85147	0.2
93.03459	15.8
94.03772	0.2
95.05035	0.2
96.99316	3.1
98.13492	0.2
100.84384	0.2
106.04263	0.4
108.02173	0.3
110.32214	0.2
117.03461	1.2
119.05026	13.5
120.05379	0.5
121.02914	0.4
123.04543	1.5
130.04228	0.9
130.05112	0.2
131.05025	3.5
133.02965	3.1
137.02435	0.6
143.05026	13.8
144.05351	0.7
145.02953	2.2
145.06581	0.8
147.04500	0.4
159.04535	0.5
163.04010	10.0
171.04504	1.5
187.41913	0.2
203.03587	0.3
211.07635	4.0
219.08211	0.6
221.09656	0.9
223.07663	1.0
235.07634	2.3
236.08331	0.2
237.09204	4.8
238.09546	0.4
239.10736	0.6
247.07631	0.7
263.07294	0.4
264.07910	0.4
265.08676	16.3
266.09055	1.1
279.06906	0.3
281.08356	0.2
283.09808	1.4
309.04300	0.4
309.07684	4.5
310.07980	0.5
327.08722	100.0
328.09048	8.5
422.59692	0.2
475.90674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89970	1.8
69.03447	5.2
69.93259	7.5
71.01380	36.1
72.99300	9.4
73.02945	4.8
75.00869	43.4
77.72107	1.8
79.02526	1.7
79.27983	1.6
81.03445	2.6
83.01379	4.4
85.02937	14.8
87.00876	42.3
89.02444	7.4
97.02942	5.3
97.16901	2.0
98.20598	1.7
99.00871	3.9
101.02431	10.0
103.42786	1.8
109.02926	6.6
111.00883	2.4
113.02433	7.0
115.00372	62.0
115.04008	2.3
123.04511	4.0
125.02438	3.6
127.03986	6.1
129.01930	2.7
135.02968	5.1
143.03465	2.0
157.01454	1.7
169.04999	3.6
169.12340	7.1
171.10258	35.0
175.02464	99.0
176.02812	3.5
179.10851	2.4
191.23793	1.9
193.12291	3.7
195.13902	5.5
197.11821	42.1
209.11823	2.2
209.90518	2.3
211.13361	16.4
213.14973	2.2
214.88208	1.6
221.11855	2.6
221.94209	1.6
223.13368	2.9
225.11258	2.4
235.08095	3.8
239.12868	7.5
241.14375	10.9
245.11810	2.1
251.12794	2.1
253.09314	10.8
253.14380	2.4
263.12836	2.4
267.12357	6.0
277.21704	100.0
278.22061	8.0
285.13428	10.4
288.47195	2.1
457.33090	2.4
459.34454	2.1
503.21356	4.9
513.30847	3.2
521.22296	4.9
737.43585	7.3
759.42963	2.7
777.41431	3.2
779.41833	6.5
781.43811	67.0
782.43567	13.7
811.44214	3.0
821.42871	10.7
839.44269	3.6
899.46234	28.5
900.46643	5.7
913.92706	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	900.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	56.2
64.65806	46.4
68.65687	43.3
69.00828	43.8
71.01384	46.4
89.02439	76.5
113.02427	70.5
115.40726	44.4
211.13428	92.2
229.23657	73.4
300.34073	56.9
309.20590	100.0
336.63126	49.3
397.13550	77.0
402.56549	54.3
505.24359	52.0
559.19000	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	900.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91449	96.0
71.01406	38.1
78.95889	40.9
80.96497	35.6
81.05885	32.2
81.08858	36.6
82.61627	33.6
96.96016	51.5
100.32567	35.2
105.53204	30.9
116.92831	100.0
151.65375	32.4
214.86118	34.8
901.47791	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	17.8
78.62832	2.4
89.02436	16.8
93.21735	2.7
98.19933	5.7
101.02454	6.1
113.02430	9.2
119.03487	8.0
127.07661	59.9
129.05562	4.1
161.04533	5.6
166.70813	2.6
171.06633	32.8
179.05637	17.3
203.89064	2.3
228.96404	2.8
246.36127	2.7
249.24243	2.3
250.12456	2.5
284.87497	2.6
314.21738	2.8
336.92941	2.5
351.12936	100.0
351.16583	4.4
352.13202	8.8
361.23541	2.5
535.21515	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	902.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	9.5
73.02927	1.6
77.03952	1.1
85.02925	2.7
88.98786	6.3
89.02454	2.7
93.03436	1.0
95.04999	3.6
96.95983	1.1
98.20664	2.0
99.08149	30.6
100.08469	0.9
101.02422	4.4
106.06618	100.0
107.06943	2.0
109.06585	2.1
113.02422	3.5
119.03465	2.1
119.05019	1.3
123.04514	79.1
124.04825	3.5
127.07642	50.9
128.07970	1.6
129.05573	92.3
130.05888	2.2
138.03203	1.9
147.04512	1.2
148.71478	0.8
150.05594	93.2
151.05901	3.1
152.16148	0.9
153.05568	41.2
154.05864	1.6
161.04539	3.9
163.03954	1.8
163.70737	0.9
164.07141	2.2
171.06636	11.2
189.07661	9.6
192.06642	3.5
194.04620	4.3
205.12372	1.4
252.63203	0.9
285.09723	10.5
294.09790	9.8
338.08945	6.3
376.39102	0.9
418.14993	19.6
419.15329	2.0
439.16174	4.2
457.17105	53.2
458.17365	7.7
462.14023	13.1
502.77402	0.9
504.15024	1.1
590.22522	13.8
591.22638	3.0
634.21246	7.5
655.01025	1.0
682.50525	0.9
704.38684	0.9
902.30792	43.7
903.31219	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	903.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52396	0.8
71.01384	7.4
71.50140	1.1
73.02941	19.0
79.95715	0.8
81.03471	1.7
83.05000	1.8
85.02946	2.9
87.00881	2.2
88.98778	3.8
89.02430	1.5
93.07085	1.0
95.05024	1.3
96.96007	7.6
99.00869	1.8
99.04502	5.1
101.02467	4.1
107.05013	1.4
109.06576	1.3
113.02420	3.6
113.06073	1.2
116.92834	1.1
117.01945	2.2
119.03498	1.0
119.05006	2.0
123.04555	6.1
125.06027	1.3
127.07630	3.7
129.05603	1.4
135.11757	1.6
138.03180	1.1
145.88368	0.7
147.04527	1.3
150.06842	3.2
151.07664	1.2
151.32680	0.8
153.05560	8.7
161.04581	6.7
161.09671	1.6
161.13345	24.6
162.13635	1.1
163.03984	1.4
163.11235	3.0
171.06606	2.2
187.11302	8.0
205.12317	34.1
206.12637	2.3
207.10246	4.4
221.06667	13.0
223.13362	29.0
224.13722	1.7
249.11311	43.9
250.11589	2.7
263.12833	7.1
267.09695	1.2
267.12366	15.4
268.12686	1.2
295.09906	1.0
323.14935	1.9
367.13669	2.7
367.17612	5.9
371.09662	1.8
393.15668	1.1
411.16528	2.3
425.18158	1.3
439.16223	4.0
455.83511	0.9
499.19763	1.7
517.20746	100.0
518.21210	10.3
535.21826	75.3
536.22162	9.6
559.21924	4.0
603.20215	4.1
604.20819	1.0
635.23334	19.4
635.33081	2.0
636.23523	3.4
697.41400	1.1
745.70728	0.9
748.90326	0.8
817.48218	1.0
903.41711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13678	0.3
69.03437	0.5
71.01380	17.8
71.49972	0.4
72.99299	0.8
73.02943	3.9
74.03302	0.3
83.01379	1.5
84.64819	0.3
85.02949	5.2
86.00096	0.4
87.00873	3.0
87.04507	0.6
88.98775	0.4
89.02443	12.9
91.70877	0.3
95.01382	1.2
96.95985	0.3
97.02947	0.7
99.00854	1.2
101.02438	14.7
106.06641	0.7
111.00893	0.4
113.01723	0.5
113.02451	6.9
119.03508	4.9
119.05002	0.3
123.04504	0.5
125.02443	1.0
127.07651	0.5
129.01862	0.3
131.03508	3.1
143.03477	1.0
147.04526	0.4
149.04361	0.3
150.05669	0.3
151.21436	0.3
153.05569	1.0
159.02953	0.5
161.04555	5.2
163.03966	0.5
179.05602	2.8
217.64969	0.3
221.06642	5.6
222.06691	0.3
223.17014	2.5
230.35080	0.3
235.16957	1.6
253.20306	0.3
275.20139	1.5
293.21188	1.7
311.22342	4.2
312.22614	0.4
352.09204	0.3
439.16074	0.4
455.26526	0.3
473.27313	2.6
617.31580	1.1
635.32794	100.0
636.33148	13.6
905.81274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	9.6
71.01371	19.0
75.53416	6.6
84.21080	8.6
85.02953	8.2
88.98803	14.2
89.02441	17.4
94.41978	6.6
101.02489	10.9
113.02467	11.9
119.05006	16.5
123.04497	36.0
127.07649	24.4
129.05568	16.1
133.02975	11.5
133.05049	17.6
153.05571	21.0
163.03992	15.9
171.06595	8.8
208.37469	6.8
251.24385	6.8
272.14404	8.0
439.16177	8.6
457.16953	100.0
458.17828	11.3
573.21619	15.0
904.31799	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	905.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	3.5
73.02934	1.5
85.02937	1.8
95.05045	3.1
98.19790	3.2
99.00919	1.4
99.08160	52.4
100.08521	1.7
101.02412	3.3
113.02399	2.1
115.00373	1.2
119.05044	2.2
123.04523	100.0
124.04852	2.0
127.07655	66.9
128.07980	2.8
129.05585	21.1
133.02985	2.0
134.03729	5.1
135.04518	51.2
136.04852	1.9
137.02455	2.1
153.04311	2.5
153.05571	65.6
161.04518	7.4
171.06662	12.3
179.03493	84.3
180.03807	5.0
189.07678	3.1
285.10016	24.7
428.25479	1.5
447.12955	35.3
448.13290	5.5
457.17123	65.8
458.17468	8.5
459.85623	1.5
559.73370	1.5
614.64288	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	907.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75564	0.2
91.05579	0.2
93.03445	0.4
113.18336	0.2
117.03438	0.3
119.05022	100.0
120.05364	3.6
129.42525	0.2
133.01410	0.2
133.06593	0.2
145.02937	0.2
163.03999	94.4
164.04329	3.6
182.78571	0.2
189.62067	0.2
200.26579	0.2
213.05585	1.1
230.49431	0.2
241.05035	5.7
242.05664	1.0
255.06540	0.4
256.07391	3.7
257.08170	1.4
325.09235	13.1
326.09644	0.8
419.13440	4.2
420.13727	0.3
545.15796	0.2
741.69464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33706	2.3
69.54930	0.3
71.01373	1.6
73.02945	0.5
83.05010	0.6
85.02959	1.2
89.02448	0.6
92.38883	0.3
99.08150	100.0
100.08498	2.5
101.02438	1.5
101.06082	0.4
111.08322	0.4
113.02445	0.9
119.03531	0.3
123.04528	0.9
127.07645	28.7
128.07979	0.6
129.05569	38.8
129.98604	0.3
130.05879	0.9
143.07118	1.8
153.05547	6.1
161.04515	1.5
163.99330	0.3
171.06616	3.4
203.09232	7.6
263.11255	1.3
298.67258	0.3
350.68396	0.3
417.17691	1.8
435.18649	57.7
436.18970	6.0
536.20251	0.3
769.26544	1.3
774.00732	0.3
787.57739	0.3
907.32538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	7.6
65.00327	12.3
69.51942	1.2
69.78098	6.4
71.01373	3.1
93.03445	4.1
95.01388	3.3
98.19976	2.0
107.01395	23.2
108.02200	1.8
111.00843	1.4
113.02444	1.4
119.05026	1.8
123.00851	2.8
123.04551	3.2
124.01685	11.1
125.02441	5.9
133.03018	1.7
134.03758	3.7
137.02388	2.1
139.00394	1.3
151.00372	81.4
152.01151	29.7
153.01892	4.4
161.02478	1.3
163.00348	2.8
163.04063	1.5
169.01428	5.5
175.00301	4.5
175.03984	3.3
177.01625	1.2
178.99857	83.3
180.00166	3.2
181.01450	1.7
181.02898	1.5
190.99786	1.9
192.00645	5.2
193.01408	10.5
193.05035	5.3
198.03267	1.7
199.04002	2.4
203.03531	6.5
211.04036	1.4
213.01915	1.9
214.02795	2.3
214.41635	1.2
215.03522	3.2
219.03062	2.3
226.02684	5.5
227.03467	9.1
228.04114	2.9
229.05096	1.6
237.01866	3.7
239.03481	2.9
240.00714	1.9
241.01337	3.8
242.02127	2.4
243.02788	1.5
253.01357	4.4
254.02228	11.6
255.03006	14.4
256.03757	2.8
267.02914	2.8
269.00955	3.9
271.02490	7.9
272.03119	1.4
281.00906	4.4
282.01721	3.1
283.02448	4.2
284.03198	1.9
293.04599	2.1
295.02325	3.0
296.03305	1.7
299.01788	1.6
303.06519	1.5
327.08994	2.6
331.05823	2.1
333.03827	2.7
333.07559	2.8
335.05383	2.3
345.03998	2.0
357.04047	1.5
359.05432	3.0
361.07043	2.2
363.67789	1.4
375.04916	2.4
377.06702	2.2
387.05063	2.7
388.06158	2.3
389.02496	10.6
389.07455	7.9
393.06332	2.7
403.04572	8.6
404.05057	2.5
405.06186	8.7
407.04102	13.2
415.04678	1.6
417.02478	2.0
429.02206	1.7
432.01022	2.0
433.01819	4.0
447.03528	2.1
511.06180	1.9
566.05011	1.5
567.05383	7.8
569.08789	2.9
585.06830	18.1
586.07190	2.9
729.11237	1.9
747.12012	70.0
748.12201	11.9
909.17255	100.0
910.17615	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12315	0.8
70.08247	0.8
70.08578	3.3
71.01382	3.1
73.02957	1.2
85.02940	1.5
87.00901	1.1
88.98772	1.2
89.02432	0.8
95.71466	0.7
96.96032	1.2
97.06599	0.9
99.04508	8.0
99.08167	1.1
101.02430	1.3
113.02464	1.7
115.00400	0.9
118.65993	0.8
119.05013	0.8
123.04517	5.4
125.02499	1.0
127.07652	1.6
129.05547	1.3
133.01472	1.7
134.71304	0.7
145.97209	0.8
153.05563	1.9
153.96246	0.7
158.33212	0.7
161.04539	1.9
163.04028	2.1
165.12848	3.3
190.05208	1.1
207.13884	10.0
209.11812	25.3
210.12115	1.7
221.06741	0.9
225.14940	46.1
226.15279	2.4
227.12863	4.4
251.12827	7.8
252.13361	0.8
269.13937	43.1
270.14310	2.8
271.02570	0.9
273.11310	0.9
287.14996	2.9
299.02029	2.9
300.02695	0.8
329.16049	8.9
371.17099	1.3
387.20157	2.2
431.19406	1.1
457.17221	1.8
462.08450	1.2
491.20874	1.2
519.22467	3.0
529.84271	0.9
537.23401	64.5
538.23737	8.9
553.27203	1.1
555.24670	3.3
579.24261	2.9
597.25488	100.0
598.25836	13.1
624.62085	1.0
909.33154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64097	73.9
67.06099	57.5
87.65166	59.6
105.01925	82.4
128.54228	61.1
162.27786	59.6
175.39571	85.4
194.35976	64.4
229.07135	90.7
279.34497	100.0
471.03430	70.7
525.44629	72.6
620.93414	85.0
672.77271	77.4
732.90118	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	3.2
71.01386	42.1
71.50806	1.9
72.99310	3.7
73.02950	4.9
81.03481	1.3
81.07133	1.1
83.01418	1.9
85.02952	10.5
85.07050	1.1
85.21779	1.5
87.00893	2.7
88.98780	1.9
89.02453	32.9
95.01399	3.6
95.05054	2.1
97.02960	3.8
99.00891	2.8
99.08135	1.3
101.02449	24.5
111.00912	2.2
113.02447	15.4
115.05524	1.1
119.03490	15.2
122.06135	2.3
123.04546	18.4
125.02459	16.9
127.07666	21.7
129.05594	4.8
131.03513	4.4
131.05038	3.3
135.04482	1.5
136.41890	1.1
138.03238	5.4
139.03941	1.3
139.65390	1.2
141.07907	1.4
142.25517	1.2
143.03479	5.8
147.04514	16.8
149.04692	1.2
152.07161	1.8
153.04333	2.4
153.05579	45.6
161.04576	7.1
161.06100	11.2
171.06653	6.3
179.03627	1.0
179.04233	1.2
179.05592	9.3
189.05614	3.8
189.07721	3.7
208.01073	1.1
221.06682	7.5
237.58772	1.3
245.06773	1.7
254.54216	1.2
263.07697	3.8
270.85803	1.5
297.66217	1.1
309.09668	1.6
323.09830	100.0
324.10330	5.7
447.15002	17.0
503.32251	5.1
521.33423	4.1
563.34363	12.7
564.34210	2.6
601.21399	18.0
602.21503	3.0
611.24554	1.5
643.27869	4.6
911.31219	9.8
912.32135	2.1
915.80304	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	911.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48877	1.0
69.03462	1.2
71.01376	43.3
71.50795	1.1
72.99311	2.3
73.02950	8.8
81.03427	1.7
81.07078	4.3
83.01372	4.9
83.05008	2.3
85.02944	23.2
87.00871	6.1
89.02440	20.9
93.03419	1.6
95.01367	4.1
95.05088	1.3
97.02935	3.7
97.06927	1.1
97.47022	1.2
99.00877	12.3
99.38747	1.0
101.01809	1.7
101.02438	28.8
105.54863	1.2
109.02914	1.2
109.06572	7.4
111.00861	2.7
113.02448	28.9
119.03485	7.7
119.04921	5.4
121.02954	3.0
123.04523	23.7
125.02454	5.0
127.07648	39.9
128.07997	1.3
129.05545	1.8
131.03464	2.9
131.04990	3.6
133.06517	1.3
137.02432	2.0
138.03230	10.6
143.03471	6.5
147.04510	13.5
153.05565	80.8
154.05891	2.3
161.04526	22.0
161.06030	12.6
162.04846	1.1
162.06281	1.5
163.04012	5.5
171.06624	15.7
179.05643	7.4
189.05493	3.0
203.05548	1.3
205.04994	1.3
210.69241	1.1
221.06653	6.3
224.40417	1.1
245.06612	4.4
263.07651	3.0
323.09790	100.0
324.10110	4.6
439.16049	2.0
447.15036	38.1
448.15216	2.9
457.16888	1.5
601.21313	66.3
602.21875	8.8
748.67133	1.2
755.75592	1.1
911.31647	13.6
912.32458	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	911.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	13.1
71.50450	1.3
73.02951	8.3
73.76974	1.1
83.01379	3.7
85.02943	3.7
89.02443	2.2
92.65415	1.3
93.03458	2.8
95.01423	1.2
95.05042	2.8
96.96008	2.2
97.38963	1.2
99.08154	54.9
100.08504	2.7
101.02435	7.3
103.51437	1.2
105.03515	1.5
109.06573	1.8
113.02445	5.1
119.03427	1.7
123.04521	100.0
124.04899	3.1
127.07649	71.6
128.03639	1.2
128.07988	1.7
129.05576	22.5
131.03499	1.3
138.03203	3.0
149.04570	2.6
153.05568	75.7
154.05917	2.8
161.04584	6.4
163.03954	1.6
171.06645	14.4
171.08093	1.8
187.11281	10.6
189.07642	3.4
285.09787	26.2
388.05310	1.3
395.03238	1.2
439.16095	3.4
457.17151	70.0
458.17325	6.9
465.32193	1.2
507.82376	1.5
551.55902	1.2
911.30060	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	915.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59444	1.2
71.01375	2.7
73.02949	1.1
73.34964	0.2
75.00868	1.2
77.03959	0.3
81.07094	0.3
83.01372	0.4
85.02955	0.9
89.02457	0.5
93.03432	0.3
95.05026	1.8
95.39687	0.2
98.20638	0.3
99.00903	0.4
99.08154	24.0
100.08492	0.5
101.02426	1.8
101.06080	0.2
105.03454	0.5
109.06567	0.9
113.02451	1.3
121.02943	0.4
123.04518	59.4
124.04844	1.8
127.07647	33.7
128.07968	1.2
129.05574	26.0
130.05905	0.8
138.03201	0.9
143.03484	0.4
149.02444	0.5
153.05563	25.4
154.05907	0.7
159.02913	0.4
161.04568	3.2
163.02463	0.4
171.06618	5.3
189.07663	1.8
193.04907	0.3
210.53406	0.2
285.09793	5.3
286.10077	0.3
439.16068	1.1
457.17111	100.0
458.17493	9.0
515.17688	0.3
619.22656	0.4
915.30786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59444	1.2
71.01375	2.7
73.02949	1.1
73.34964	0.2
75.00868	1.2
77.03959	0.3
81.07094	0.3
83.01372	0.4
85.02955	0.9
89.02457	0.5
93.03432	0.3
95.05026	1.8
95.39687	0.2
98.20638	0.3
99.00903	0.4
99.08154	24.0
100.08492	0.5
101.02426	1.8
101.06080	0.2
105.03454	0.5
109.06567	0.9
113.02451	1.3
121.02943	0.4
123.04518	59.4
124.04844	1.8
127.07647	33.7
128.07968	1.2
129.05574	26.0
130.05905	0.8
138.03201	0.9
143.03484	0.4
149.02444	0.5
153.05563	25.4
154.05907	0.7
159.02913	0.4
161.04568	3.2
163.02463	0.4
171.06618	5.3
189.07663	1.8
193.04907	0.3
210.53406	0.2
285.09793	5.3
286.10077	0.3
439.16068	1.1
457.17111	100.0
458.17493	9.0
515.17688	0.3
619.22656	0.4
915.30786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40378	2.8
69.80719	2.2
71.01376	9.7
73.02900	2.4
74.60266	2.0
83.01357	2.6
85.02966	4.2
88.98790	3.8
89.02446	3.8
93.33654	2.0
96.96004	7.3
99.08155	56.6
100.08530	2.5
101.02428	7.3
104.40725	2.2
109.79176	2.0
113.02422	3.8
116.92834	5.8
118.72192	2.1
123.04526	100.0
124.04839	3.8
127.07651	76.2
128.08040	2.3
129.04694	3.8
129.05579	38.4
138.03242	4.0
140.77245	2.6
147.04509	22.3
147.62172	2.0
149.02438	2.3
150.41759	2.1
153.05576	73.0
161.04514	4.1
161.06161	2.6
163.03938	2.6
171.06627	17.4
171.36160	2.1
189.07669	3.7
271.71381	2.2
277.10797	2.3
285.09729	5.4
292.32892	2.1
415.13840	8.3
439.16055	11.4
457.17178	58.2
458.17471	3.2
587.21271	64.5
588.21069	10.2
603.31219	2.8
873.76263	2.7
915.52631	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	915.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37585	0.4
69.38018	0.3
71.01353	0.1
74.34208	0.1
83.05041	0.4
85.02956	0.4
87.00882	0.4
88.98822	0.2
89.02429	0.2
99.08159	14.7
100.08492	0.4
101.06095	0.3
112.36155	0.1
117.01963	0.2
123.04517	1.6
127.07655	18.3
128.08023	0.5
129.05582	59.6
130.05907	1.4
143.07185	0.3
145.08711	2.4
153.05571	0.6
166.17482	0.1
171.06622	3.7
172.06880	0.2
189.07681	100.0
190.08011	3.4
285.09854	0.1
407.32968	0.1
439.16064	0.1
457.17078	2.5
458.17520	0.3
479.02884	0.1
528.66486	0.1
530.47626	0.1
542.57721	0.1
686.21246	0.1
805.03253	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	915.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26080	1.3
70.91609	3.0
71.01366	3.8
71.83656	1.3
72.17156	1.3
77.91789	1.3
89.02417	1.5
90.25964	1.7
98.07318	1.4
99.08154	40.8
101.02404	3.0
113.02410	1.7
113.20002	1.6
123.03635	3.0
123.04522	56.8
125.16505	1.4
127.07647	96.6
128.07938	2.4
129.05577	42.9
143.58360	1.5
153.05560	32.9
161.04585	3.9
170.99837	1.5
171.06622	37.4
172.06885	1.7
189.07666	1.9
285.09677	13.2
297.03378	1.4
351.12936	46.6
352.13025	2.6
457.17136	100.0
458.17538	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	916.397
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93050	10.0
68.68937	10.9
71.01389	14.2
71.51089	15.2
75.00874	26.6
77.16100	11.3
81.67171	12.4
85.02921	14.1
108.66794	9.2
115.00389	9.9
119.05038	55.0
120.05310	17.6
123.04478	11.9
129.01938	100.0
129.05573	12.3
130.02255	14.6
135.02994	51.0
141.89705	10.1
163.03999	88.9
164.04312	15.6
165.05595	14.2
209.11818	25.6
211.13318	14.8
277.21701	22.2
316.96548	10.0
328.17712	10.3
397.13193	12.0
483.15863	12.5
780.79968	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	916.397
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93050	10.0
68.68937	10.9
71.01389	14.2
71.51089	15.2
75.00874	26.6
77.16100	11.3
81.67171	12.4
85.02921	14.1
108.66794	9.2
115.00389	9.9
119.05038	55.0
120.05310	17.6
123.04478	11.9
129.01938	100.0
129.05573	12.3
130.02255	14.6
135.02994	51.0
141.89705	10.1
163.03999	88.9
164.04312	15.6
165.05595	14.2
209.11818	25.6
211.13318	14.8
277.21701	22.2
316.96548	10.0
328.17712	10.3
397.13193	12.0
483.15863	12.5
780.79968	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	916.4
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99844	2.6
70.17621	0.3
70.17990	0.6
75.15565	0.2
75.16802	0.2
75.40032	0.2
80.61105	0.2
81.04166	0.2
96.66656	0.2
98.20533	0.2
111.75554	0.2
118.48379	0.2
129.02293	0.2
140.99893	1.8
143.02502	0.3
164.01469	2.2
164.99854	6.2
167.98567	0.8
172.02773	1.3
193.84184	0.2
208.00439	100.0
209.00978	4.7
223.02789	9.8
224.03235	0.4
231.80106	0.2
260.25089	0.2
302.47040	0.2
340.04977	0.3
379.85403	0.2
402.08597	21.0
403.08847	1.8
467.91394	0.2
627.00238	0.2
663.99835	0.2
777.32477	0.2
924.21735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98937	0.5
71.01372	0.6
71.50983	0.5
72.40504	0.4
96.95980	0.6
99.08147	2.3
116.92880	0.8
121.04984	0.5
123.04515	2.5
127.07683	2.6
129.05592	1.9
129.96506	0.4
153.05556	1.9
169.06586	0.9
171.06638	0.5
182.07364	1.3
197.06030	1.2
198.06853	8.8
209.11815	0.9
225.05582	2.5
226.06352	69.0
227.06705	4.2
241.08704	100.0
242.09001	7.3
283.57712	0.4
291.68573	0.6
306.69159	0.4
309.21069	0.6
358.10757	0.4
457.17136	10.2
458.17987	1.0
889.73535	0.5
902.47974	0.5
917.45837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63441	2.0
78.95905	1.9
91.29457	0.8
96.96053	1.2
113.38519	0.9
117.03419	2.1
121.02930	1.4
133.02945	2.4
134.03734	61.3
135.04022	1.9
136.01588	0.8
137.02409	4.2
139.03960	1.1
149.06099	9.1
152.99579	2.4
160.13736	1.0
177.05559	1.1
178.01228	1.1
178.02719	15.7
178.34872	0.8
193.05035	100.0
194.05392	3.7
255.23309	11.1
256.23666	0.9
277.21710	75.6
278.22012	3.2
280.61060	0.8
300.25598	0.8
324.95309	0.8
341.10300	5.3
344.88965	0.8
353.10324	1.1
355.10336	1.4
361.88959	1.1
371.11258	3.0
443.13559	1.0
455.27826	7.6
456.28253	1.4
461.14569	4.3
483.27393	7.6
649.33777	15.9
650.34039	3.7
864.56934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42661	0.9
78.95901	11.5
94.05557	0.4
96.96015	0.5
96.96948	1.5
98.67689	0.5
102.97826	0.4
106.39131	0.5
117.58439	0.5
129.01909	0.7
149.12685	0.4
152.99574	20.2
157.65045	0.5
171.00621	1.4
186.09166	0.5
194.95906	0.5
196.94186	0.5
199.48318	0.5
201.11314	1.3
209.11862	1.1
227.03241	3.2
245.04254	1.1
255.23267	100.0
256.23618	6.6
277.21570	0.6
379.12363	0.7
397.13593	1.2
433.23618	2.0
483.27249	83.4
484.27606	8.9
548.72150	0.4
674.94025	0.5
758.25861	0.5
803.92267	0.5
917.48651	0.7
931.20184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	11.4
90.20392	0.3
92.92548	0.3
96.96956	1.0
98.19381	0.3
120.52951	0.2
152.99579	21.1
161.49651	0.2
171.00627	1.2
199.13332	0.4
227.03264	2.8
245.04262	1.2
255.23267	100.0
256.23618	5.5
273.41336	0.3
277.21494	0.5
397.13519	0.3
433.23383	1.4
483.27252	78.1
484.27603	7.1
581.76031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	29.2
72.99283	15.8
74.35366	15.7
75.88371	14.9
76.24328	14.3
96.96008	100.0
98.19874	46.4
99.08159	32.2
101.02447	26.7
113.02453	26.4
116.92851	46.9
119.04996	15.1
123.04520	80.0
127.07613	98.6
129.05583	54.5
148.16579	16.4
153.05585	73.0
171.06590	32.2
209.11783	60.6
309.20779	30.0
457.17264	46.1
587.21179	20.5
590.23383	27.1
616.28809	18.9
775.22253	18.0
918.50293	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	918.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	29.2
72.99283	15.8
74.35366	15.7
75.88371	14.9
76.24328	14.3
96.96008	100.0
98.19874	46.4
99.08159	32.2
101.02447	26.7
113.02453	26.4
116.92851	46.9
119.04996	15.1
123.04520	80.0
127.07613	98.6
129.05583	54.5
148.16579	16.4
153.05585	73.0
171.06590	32.2
209.11783	60.6
309.20779	30.0
457.17264	46.1
587.21179	20.5
590.23383	27.1
616.28809	18.9
775.22253	18.0
918.50293	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	918.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81960	3.5
71.01382	12.4
71.19609	3.2
89.02427	5.2
101.02444	8.3
102.88996	3.8
109.17757	3.4
113.02428	10.6
114.99090	3.1
119.03492	10.0
123.04536	8.0
127.07639	5.7
131.05023	11.3
133.06569	5.7
147.04514	100.0
153.05569	98.8
161.04553	12.9
161.06070	57.1
179.84801	3.0
189.05574	21.1
219.06653	6.8
249.07596	7.1
291.19962	3.3
309.09805	12.2
407.02573	3.6
439.15863	9.1
508.79288	3.8
636.03510	3.4
645.82294	3.4
749.26764	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	918.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	20.2
73.02907	3.5
85.02955	13.5
87.00858	3.7
88.98824	3.0
89.02433	14.6
95.01385	6.4
96.95988	6.7
98.20626	10.1
99.08133	9.4
101.02444	16.0
101.11905	3.2
112.98618	4.6
113.02444	48.5
116.92867	9.1
119.03515	16.8
119.05029	4.3
123.04540	34.3
127.07657	22.8
129.05563	15.8
131.05016	6.4
133.06577	9.8
147.04510	100.0
153.05583	59.6
161.04546	33.5
161.06071	40.8
163.03967	4.9
171.06573	9.4
175.07600	4.8
189.05565	40.9
219.06493	9.1
237.07672	9.3
241.08324	3.9
249.07764	4.1
262.57953	3.2
309.09735	14.7
439.15887	21.5
457.17004	8.8
481.17105	5.5
484.10144	4.2
651.36139	9.0
749.26563	45.3
750.27136	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	919.531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51246	0.2
79.95727	1.3
91.68267	0.2
95.94732	0.2
95.95289	0.5
96.96014	64.2
97.95952	0.3
139.42009	0.2
141.10515	0.1
152.99571	0.3
153.10408	0.2
260.43558	0.2
265.14780	100.0
266.15097	4.6
551.24005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36024	14.8
67.32417	12.0
70.60535	18.0
70.60876	36.0
71.01392	27.9
75.08093	14.5
94.50255	14.0
129.05565	31.9
133.46915	16.3
167.51366	14.4
189.07581	32.7
303.82272	17.7
314.06924	15.6
353.30191	14.6
414.16064	16.0
485.31061	34.3
486.31091	17.7
494.38870	17.8
503.32062	26.9
535.27710	17.1
539.06036	15.4
545.33344	100.0
672.23865	16.1
773.53876	16.0
809.06213	18.5
826.41046	16.5
920.40924	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01722	0.8
71.50437	1.2
78.95901	60.8
94.00705	0.8
96.96952	6.3
97.22743	0.9
104.97390	0.8
150.98022	1.8
152.99579	100.0
153.99925	1.2
163.04012	2.9
171.00652	4.7
227.12935	1.1
277.21817	2.1
431.21982	36.2
431.64810	1.0
432.22159	3.2
563.97253	0.9
725.10040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67251	18.2
69.59122	92.3
71.01386	36.8
86.39966	17.4
98.19901	30.3
101.02474	35.6
123.04504	63.6
127.07654	49.4
128.69601	13.9
129.05577	36.1
147.36734	14.3
153.05585	84.8
199.37495	15.1
200.54431	15.4
209.11548	13.8
281.87177	17.2
439.15845	31.9
457.16803	25.3
487.32455	35.8
505.33463	24.4
547.34845	100.0
891.30530	19.3
922.43591	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.501
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09275	2.3
70.51156	8.2
93.44485	2.3
99.80935	2.6
99.92612	13.8
114.93402	4.9
116.92856	100.0
143.08257	2.3
240.94072	2.5
264.01447	2.3
290.53754	3.0
313.82626	2.5
353.40277	2.8
394.15518	2.6
924.13538	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	923.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66428	0.8
69.03455	1.0
71.01376	13.7
72.99303	2.1
73.02941	1.8
76.51076	0.7
83.01363	1.2
83.04996	0.9
85.02946	4.4
87.00877	1.6
89.02441	10.9
95.05020	1.4
97.02953	1.4
98.19759	1.2
99.00875	0.8
99.08154	15.5
100.99808	1.0
101.02441	11.0
113.02459	6.5
119.03487	4.4
119.04970	0.9
122.74397	0.8
123.04520	40.0
124.74144	0.7
124.75091	0.8
125.02462	5.3
125.06026	0.8
127.07652	33.9
128.08000	0.9
129.05580	49.0
130.05896	1.5
131.03424	1.3
134.03619	1.0
143.03499	1.6
149.02370	0.9
153.05573	26.3
161.04585	4.6
163.04056	0.9
171.06592	7.4
176.07310	0.8
179.05569	2.5
189.07643	2.2
221.06633	4.6
239.12894	0.9
257.32175	1.0
263.07727	1.7
285.09769	4.0
321.15582	2.4
323.09808	16.9
383.11902	1.8
439.15869	2.3
447.14948	6.3
457.17130	90.2
458.17566	8.5
521.64539	0.9
569.22760	1.3
601.20874	2.6
619.22382	100.0
620.22693	11.3
781.28717	0.9
923.30573	7.4
924.30975	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	925.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34998	2.0
65.00319	10.6
66.02435	1.9
69.36176	18.0
71.01408	3.0
74.96152	2.5
83.01378	8.0
83.06303	2.2
83.60325	1.9
85.19142	2.2
93.03499	2.9
95.01389	4.1
96.72596	1.9
98.20680	4.0
107.01385	20.9
109.02946	9.8
121.02969	6.5
124.01645	7.8
125.02413	2.5
144.07933	2.1
148.01697	2.5
149.02484	5.8
151.00357	75.1
152.01135	14.5
153.01979	3.3
155.38936	2.2
155.89143	2.1
161.02419	2.4
163.00319	2.8
164.89899	2.1
169.01422	6.1
175.00360	4.7
175.03967	3.9
178.99850	75.6
189.02028	3.1
192.00641	4.2
193.01440	10.1
199.04097	2.3
203.03487	8.7
211.03864	3.2
215.03508	5.0
225.02069	2.6
226.02664	7.1
227.03477	12.5
228.04192	2.6
237.01852	6.2
239.03508	3.1
241.01495	2.8
243.02972	3.1
253.01497	5.4
254.02066	11.6
255.02975	16.1
256.03625	2.9
266.02209	2.9
267.02893	6.0
269.00894	15.3
270.01495	2.7
271.02399	16.9
272.03204	2.9
281.00812	4.9
282.01718	3.2
283.02512	5.2
295.02451	3.7
299.01968	7.5
311.01968	4.2
313.03445	3.2
319.06396	2.4
333.03873	3.0
341.02881	6.0
345.03915	3.0
347.05527	3.8
351.05127	3.0
361.03482	3.4
365.02676	3.5
375.04965	5.1
376.59131	2.3
389.03094	8.1
391.04477	3.4
392.05225	2.8
404.05176	3.2
405.06104	7.5
406.03140	4.9
407.04001	10.0
408.04529	2.9
409.05591	4.0
419.04184	7.5
421.05728	5.5
433.01974	8.7
450.81958	2.3
451.02695	2.6
601.06171	18.3
602.06378	2.3
735.40802	2.2
745.11060	2.7
763.11383	74.1
764.11572	14.3
772.72821	2.6
921.73584	2.4
925.16766	100.0
926.17188	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
73.30981	1.0
75.68301	1.0
98.20676	2.4
115.00353	1.1
125.98814	1.0
138.46562	1.1
151.00345	4.0
153.05605	3.0
184.28642	1.2
199.03996	2.5
215.03477	1.4
227.03490	33.4
228.03870	1.5
242.02228	2.5
243.03021	18.2
244.03346	1.2
255.02969	43.7
256.03641	6.2
257.04529	5.8
270.01727	6.1
271.02484	20.5
284.03253	44.0
285.03995	26.6
286.04639	3.8
299.02103	5.5
300.02756	4.1
307.12024	1.1
314.04294	35.7
315.04984	9.3
327.05045	1.6
439.16180	1.9
447.09299	100.0
448.09647	10.3
477.10370	92.2
478.10764	9.3
491.98026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99568	8.7
69.43925	6.3
71.01393	17.5
71.50936	8.1
76.09933	7.6
77.30531	7.2
90.69551	7.8
96.96000	8.0
101.02428	15.3
113.02412	11.4
119.03635	6.4
123.04545	19.3
127.07616	14.6
129.05608	8.4
145.25447	8.1
147.04532	6.9
153.05574	21.2
193.02339	7.1
241.99066	7.7
297.12469	14.0
323.10074	8.9
433.28165	8.8
457.16882	8.5
523.69556	7.5
595.33264	100.0
620.33649	11.9
880.32568	8.9
927.34546	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	927.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.8
67.94955	0.3
74.84969	0.2
81.82399	0.3
83.01388	0.7
98.19929	1.1
107.01405	1.5
108.02173	0.7
109.02943	0.9
112.79733	0.2
120.95157	0.3
121.02936	1.1
135.00871	0.6
148.01643	0.8
151.00357	7.0
152.00975	0.3
163.00436	1.4
164.01106	0.4
169.01491	0.3
178.99876	3.6
183.04413	0.4
187.03842	0.5
192.00595	0.4
199.03947	0.4
208.80089	0.3
211.03983	0.8
215.03510	0.5
216.04399	0.3
224.02351	0.3
226.02681	0.6
227.03477	1.3
229.04927	0.4
239.03239	0.3
243.02945	6.1
244.03548	0.5
245.04480	0.9
245.21396	0.3
254.02191	1.3
255.02960	16.1
256.03409	1.3
257.04565	0.3
271.02444	34.9
272.02902	2.6
273.03979	0.8
283.02396	0.9
299.01999	0.8
300.02716	71.7
301.03458	35.2
302.03757	2.1
343.04507	0.4
463.08780	100.0
464.09085	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	927.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71517	0.5
66.73042	0.4
69.13174	1.0
69.13583	4.0
71.01389	3.0
81.07092	3.3
83.05019	1.5
85.02930	0.9
89.02435	2.3
93.03468	1.2
94.04237	0.9
95.05041	1.2
101.02428	1.3
102.04350	0.5
109.06591	6.8
113.02450	1.5
117.03455	1.3
119.03537	1.1
119.05021	10.8
121.02961	1.1
123.04520	22.4
124.04864	0.7
125.06056	0.9
127.07651	16.8
127.08554	1.0
128.07930	1.2
133.06598	1.9
138.03226	8.4
145.02972	4.6
153.05571	100.0
154.05911	6.5
155.06036	0.6
161.04657	1.0
161.06094	2.6
163.04008	8.4
171.06624	14.0
172.06944	1.3
179.05597	1.8
187.03999	0.8
205.05046	2.9
206.75844	0.5
235.06090	0.5
265.07065	1.2
325.09296	3.7
367.10181	0.7
405.73621	0.5
431.13449	1.1
439.16074	49.2
440.16388	8.1
441.16748	3.2
447.09207	0.5
585.19275	0.5
619.22638	1.5
620.22778	2.9
621.23071	5.1
622.23322	0.8
827.79425	0.5
927.31232	4.5
928.31653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24411	0.7
68.67247	0.7
71.01379	24.6
71.50736	1.4
73.02940	9.5
79.64236	0.8
83.01388	4.6
85.02464	1.1
85.02949	15.4
87.00858	1.5
89.02452	2.0
93.03449	1.8
95.01370	2.2
99.00867	4.3
101.01801	1.6
101.02441	21.0
113.02456	11.5
117.03451	8.5
119.05025	32.1
120.05369	0.8
121.02954	8.3
123.04520	2.4
133.02937	1.8
135.04439	1.1
141.85719	0.8
143.03510	1.4
145.02905	2.5
159.02957	2.7
161.04556	15.1
162.03191	3.1
163.04001	56.0
164.04332	2.4
269.10281	32.6
270.10614	1.4
311.07816	1.6
311.11343	23.4
312.11633	1.5
327.08786	3.9
328.09003	3.0
329.09390	1.2
346.67908	0.9
393.12637	0.8
409.14987	100.0
410.15436	9.0
511.87341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34243	0.4
71.01379	2.4
85.02954	0.9
89.02411	1.0
93.03438	0.7
95.05030	0.5
101.02436	1.2
105.03428	0.4
109.06580	0.5
113.02451	1.5
117.03467	15.0
118.03844	0.5
119.05032	12.9
120.05378	0.5
121.02997	0.6
123.04530	13.0
123.08171	0.5
127.07654	7.4
138.03209	1.2
145.02954	100.0
146.03285	3.4
153.05579	10.4
161.06079	1.3
163.04012	13.0
164.04419	0.5
171.06630	4.1
179.05688	0.9
187.04016	1.1
205.05046	1.8
229.47560	0.6
240.72049	0.4
247.06140	0.9
265.07108	0.6
307.08231	25.9
308.08542	1.5
337.55884	0.4
351.13080	2.8
389.57532	0.5
431.13440	94.2
432.13773	8.3
445.90985	0.5
469.13837	0.8
469.20139	0.7
585.19769	2.0
593.18799	0.9
747.25220	3.7
869.90039	0.5
927.31671	4.8
928.31860	1.0
957.73383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40564	0.4
66.31216	0.4
66.57870	0.3
71.01379	1.4
73.02946	0.6
79.05518	0.4
81.07095	3.6
83.05020	1.5
93.03448	1.3
94.04244	0.9
95.05029	1.4
98.20700	0.5
101.02426	1.0
109.06590	6.3
113.02460	0.8
117.03440	0.9
119.05022	10.1
120.05306	0.4
121.02942	1.5
123.04522	22.8
124.04852	0.9
125.06055	0.4
127.07648	16.1
128.07986	0.6
129.05524	0.4
132.05789	1.2
133.06590	3.5
138.03221	9.5
139.03600	0.4
145.02934	5.4
149.02408	0.5
153.05566	100.0
154.05931	3.8
161.04640	0.9
161.06042	7.3
163.03999	8.7
171.06613	13.2
187.11264	0.4
205.05051	8.5
206.86449	0.5
235.06102	1.2
265.07169	3.9
269.30045	0.4
285.09717	0.7
307.08191	0.5
325.09171	2.7
367.10345	2.1
383.66345	0.4
387.35358	0.4
427.12317	1.6
431.13571	0.4
439.16064	61.3
440.16458	6.4
457.16946	0.6
655.07104	0.3
927.31622	2.1
928.31573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35365	5.7
69.35777	16.9
69.45516	2.7
71.01383	19.0
72.54327	2.8
73.02912	8.8
81.80869	2.7
83.01400	3.0
85.02933	6.2
89.02451	5.4
94.98118	3.2
95.05022	3.6
99.08147	4.9
101.02454	14.6
113.02428	13.3
115.80554	2.9
117.03452	9.4
119.03565	5.0
119.05018	91.9
120.05355	21.8
121.02939	8.7
123.04546	25.7
125.02448	3.2
127.07666	22.3
129.05579	39.0
132.05765	10.6
133.06586	30.2
134.06921	5.3
138.03200	3.8
145.02946	50.0
146.03281	12.4
153.05568	46.0
154.05873	8.2
161.04636	8.2
161.06058	59.6
162.06436	20.3
163.03999	100.0
164.04320	21.8
171.06587	8.8
205.05023	79.1
206.05423	27.4
235.06044	11.6
236.06425	5.9
238.36070	3.1
265.07178	37.1
266.07556	17.6
285.09576	3.6
297.60269	3.5
313.26492	3.4
325.09177	32.3
326.09598	11.9
367.10345	16.4
368.10608	9.0
427.12256	16.5
428.12640	18.6
431.13770	4.1
432.13754	3.7
433.86603	2.9
435.18735	32.4
439.16281	14.9
440.16260	12.0
453.15964	3.5
457.17081	5.8
461.07086	6.4
467.17303	6.6
579.23035	4.2
582.66547	3.3
597.23920	75.5
598.23926	6.1
660.24469	7.4
661.23260	3.3
928.31689	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	929.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48600	0.4
71.01380	7.8
71.50587	0.6
71.83822	0.4
72.99306	0.7
73.02632	0.4
73.02948	3.1
79.09038	0.5
79.19325	0.5
79.89040	0.4
80.99820	0.4
83.01387	1.9
85.02937	4.3
95.01327	0.9
99.00863	1.8
101.02438	10.8
113.02447	4.2
117.03490	0.9
119.05022	49.3
120.05359	1.7
123.04478	0.7
129.01952	0.5
143.03456	0.7
145.02956	1.8
146.03270	0.6
147.47269	0.5
153.05563	0.8
159.03020	0.6
161.03400	0.7
161.04649	3.1
163.03996	100.0
164.04366	3.6
237.89690	0.5
249.13397	19.7
250.13637	0.6
269.08206	4.7
291.14459	8.5
292.14716	0.7
325.09247	28.7
326.09586	1.8
431.13379	27.1
432.13727	3.6
948.77850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	0.5
69.52989	0.8
69.53374	3.4
71.01382	10.1
72.99283	0.7
73.02946	4.2
75.00853	0.6
81.07093	2.7
83.01376	1.6
83.05019	2.1
85.02950	5.9
87.00880	0.6
89.02435	3.6
93.03458	0.7
94.04253	0.9
95.01369	2.3
95.05002	0.8
101.02439	8.9
109.06587	5.2
111.00729	0.5
112.00278	0.5
113.02439	12.7
119.03488	2.7
119.05029	1.2
123.04520	21.7
127.07645	29.9
128.08002	0.7
129.05598	0.6
131.03516	1.6
138.03226	9.0
143.03479	1.8
149.04550	1.3
153.05565	100.0
154.05902	3.3
161.04556	5.2
161.05914	0.8
163.04027	0.7
171.06616	17.8
172.07089	0.6
179.05614	2.5
187.11302	0.5
205.05064	0.8
206.62338	0.5
208.94350	0.5
211.50461	0.5
217.56728	0.5
221.06718	2.2
333.11902	0.6
393.14059	3.5
439.16052	67.3
440.16357	6.6
481.17068	3.8
619.22351	1.1
651.10217	0.5
661.23438	47.0
662.23694	5.5
723.06067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.5
69.15163	3.6
71.01384	8.1
73.02948	12.5
81.07093	2.7
83.01378	2.9
83.05022	1.3
85.02950	2.0
89.02451	2.6
94.04237	0.9
95.01410	0.6
95.05041	0.5
98.20699	0.7
101.02436	8.7
106.20972	0.4
109.06590	6.1
113.01717	0.6
113.02448	5.9
116.05643	0.3
119.03497	1.4
121.02975	0.5
123.04523	14.7
124.04845	0.5
125.02439	0.4
127.07649	35.2
128.08000	1.2
131.03464	1.0
138.03218	6.8
143.03473	1.5
148.86916	0.4
149.04543	2.0
153.05569	100.0
154.05931	4.1
161.04558	5.1
163.04001	0.6
171.06622	23.0
172.06895	1.0
179.05670	0.9
221.06616	4.7
285.09579	0.9
321.53867	0.5
393.13937	1.2
415.88641	0.5
439.16064	63.7
440.16446	6.1
481.17044	4.6
661.23456	29.2
662.23737	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	929.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71067	1.0
69.03451	1.8
70.06446	2.0
70.06847	1.4
71.01375	15.1
72.99290	1.0
73.02941	2.6
83.01381	2.1
85.02948	4.2
87.00869	3.5
89.02439	12.2
94.33363	0.8
95.01389	1.2
96.75546	0.9
96.96006	2.7
97.02954	2.1
101.02440	12.8
105.01936	1.3
106.44895	0.9
113.02464	7.4
119.03478	4.3
125.02443	5.1
143.03481	2.2
161.04541	2.7
167.14348	1.0
179.05614	3.2
183.13899	4.5
193.12296	1.6
196.56990	0.9
211.13379	100.0
212.13750	5.3
217.07036	1.2
221.06586	1.6
235.08218	4.1
277.21704	60.9
278.22156	4.8
287.07654	1.8
289.73325	0.9
304.32040	0.9
305.08704	1.7
323.09665	1.3
379.12399	12.8
397.13474	40.6
398.13766	2.8
415.14517	7.7
537.88947	1.0
591.26819	4.5
609.27655	4.0
657.34558	1.4
675.35858	2.4
781.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.4
73.02935	0.8
76.15057	0.5
84.08382	0.5
85.02959	1.5
93.03498	0.7
101.02451	2.5
107.01385	0.9
113.02431	1.5
144.11440	0.5
147.58304	0.6
151.00420	2.5
161.04536	1.2
174.82529	0.5
182.71788	0.5
183.04497	1.4
211.03996	1.0
220.00497	0.5
227.03493	4.3
235.11833	4.8
239.94766	0.6
255.02966	30.9
256.03339	2.9
269.04547	0.7
277.13016	2.7
283.02466	67.5
284.03119	12.8
285.04025	54.4
285.08652	0.8
286.04419	3.6
297.03976	1.0
299.05725	0.7
322.16513	0.6
327.05063	2.2
446.08493	11.1
447.09274	31.1
448.09698	2.3
489.10291	2.6
609.14581	100.0
610.14844	10.6
929.12634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51354	69.9
84.53440	40.5
101.02454	52.8
182.44661	44.6
211.13310	100.0
212.13690	55.7
213.13957	71.0
255.23215	51.2
257.15097	46.0
277.21927	75.9
278.22125	69.7
307.86874	61.3
322.61600	47.6
397.13275	62.1
439.78796	46.9
468.99496	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75909	49.8
71.01392	35.5
92.52606	8.0
96.96016	15.9
99.08192	21.0
101.02462	16.9
101.29773	10.1
121.02929	10.9
123.04548	46.7
127.07652	22.8
129.05557	26.2
152.72545	10.3
153.05586	33.4
171.06606	12.6
201.81178	10.0
328.83807	11.7
341.94626	9.8
350.03278	9.2
409.68079	9.7
423.08359	9.8
457.17136	16.1
493.20508	9.3
499.18011	11.6
602.35254	100.0
603.36365	10.7
665.37543	23.6
730.08472	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	933.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19858	10.2
69.28086	10.9
71.01376	41.9
71.31047	11.2
80.14444	14.7
84.33869	11.3
85.02951	11.4
88.98827	17.3
89.27965	12.1
93.30673	10.5
96.96024	24.0
98.19872	26.6
99.08161	21.1
101.02431	36.0
112.78046	10.8
116.92867	24.3
123.04506	53.9
125.02546	12.8
127.07646	48.8
129.05556	33.8
152.17636	12.7
153.05525	51.3
157.91733	11.7
158.83763	11.7
161.04544	12.7
179.05507	12.1
227.06966	15.4
265.71509	11.8
431.32349	13.4
438.36835	12.0
439.16409	19.0
457.16904	28.7
462.24261	12.0
499.18161	22.2
602.35516	100.0
603.35596	27.0
665.38025	21.9
934.72089	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	933.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.5
71.01014	1.9
71.01377	23.1
71.50591	1.5
72.99284	1.3
73.02943	4.2
81.03450	1.6
83.01382	2.8
85.02946	6.2
87.00858	5.9
89.02451	18.9
95.01369	2.4
96.96018	1.6
97.02966	5.0
98.23658	1.0
99.00887	1.8
101.02437	18.1
109.06513	1.0
113.02451	8.0
116.92842	1.9
119.03484	4.4
121.10222	2.0
125.02457	8.0
143.03493	3.5
161.04578	4.5
171.10216	4.7
179.05548	2.5
183.13893	8.7
193.05052	1.5
194.02676	1.2
211.13406	2.7
221.15430	0.9
231.20985	1.1
235.08215	10.0
235.17001	20.5
236.17339	2.2
239.71396	1.0
240.81502	1.1
241.21709	58.8
242.21989	3.6
253.09183	2.1
275.20139	35.6
276.20450	2.7
287.07605	4.0
293.21201	86.3
294.21524	5.5
305.08691	4.3
374.21866	1.0
379.12326	1.5
381.51874	1.3
397.13474	100.0
398.13757	5.3
415.14502	27.7
416.14609	1.6
639.36017	7.4
938.87177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26690	20.8
80.21085	9.2
99.13815	9.5
123.04559	13.7
163.01971	10.4
175.02390	14.9
268.25244	10.4
291.66681	10.2
501.30856	58.5
519.31421	22.6
561.32794	100.0
562.33466	12.7
936.40979	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	12.4
67.86575	1.9
69.49268	6.0
69.49679	7.1
71.01363	3.2
83.01384	7.4
87.55056	1.8
95.01360	2.0
95.72982	2.1
98.19904	3.8
101.02435	3.0
107.01389	24.4
109.02956	2.4
111.00901	2.4
112.84166	2.0
115.00333	2.3
123.00900	2.0
123.04474	3.7
124.01648	8.8
125.02415	2.7
151.00359	77.9
152.01147	30.8
153.01797	2.8
153.05429	2.0
163.00340	3.0
165.01868	2.9
169.01401	5.7
175.00301	2.2
175.03995	2.0
178.99844	83.0
180.00154	5.1
187.68912	1.8
192.00670	4.7
193.01357	10.4
198.03275	3.4
203.03401	2.3
211.03999	2.6
214.02730	2.5
217.81993	2.2
226.02740	5.0
227.03456	9.6
228.04305	2.3
229.01421	2.7
229.82925	2.2
237.01984	4.5
239.03473	2.3
241.01463	2.6
242.01982	2.1
253.01436	7.6
254.02127	14.1
255.02872	13.9
265.40143	2.3
267.03064	3.0
269.00946	4.5
271.02496	3.3
281.00937	4.5
282.01514	3.4
283.02310	3.5
284.03394	2.1
285.03998	4.2
295.02588	2.5
297.03329	2.0
317.04520	2.4
327.09024	2.9
333.03845	2.4
335.05472	2.5
349.03564	2.8
362.04358	2.2
365.02689	2.4
389.03003	9.4
390.03528	2.8
407.03897	12.0
418.07150	2.5
419.07684	7.4
432.01398	2.1
433.01492	3.3
435.07281	5.9
572.78821	2.2
595.06781	2.6
597.06799	9.4
615.07709	9.6
759.11414	2.9
777.13025	59.0
778.13086	7.9
842.89996	2.1
939.18372	100.0
940.18555	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	939.304
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99554	1.5
69.03439	1.9
71.01389	3.0
79.50173	1.1
82.65476	1.3
85.02944	1.5
87.04520	2.7
89.02442	1.7
89.69786	1.3
94.26670	1.5
95.04990	2.4
97.02946	4.5
104.05061	5.4
106.06628	40.7
107.05029	3.7
107.06983	1.7
108.04558	2.4
113.02433	2.6
117.26784	1.3
118.06624	2.6
123.04539	8.7
125.06095	6.0
131.03542	4.9
132.04562	5.9
134.03795	2.4
134.06119	44.0
135.59895	1.3
141.05595	3.2
146.06128	2.4
150.05621	11.6
151.03993	2.1
153.05606	2.0
156.08167	1.5
160.04036	22.0
161.04672	3.0
162.05600	100.0
163.03947	1.6
163.05898	3.2
164.07016	1.6
169.05095	2.7
174.05626	7.0
186.05675	2.0
186.09239	4.2
187.06310	4.2
188.03503	25.7
189.03912	1.7
190.08755	5.2
193.03697	2.7
198.05621	1.7
198.09290	7.8
199.06323	1.8
200.07159	3.2
201.07948	1.5
202.08698	2.3
204.06616	2.0
207.51062	1.2
212.07217	2.6
214.08737	5.4
214.12396	9.4
216.13948	5.7
224.07112	1.4
226.05075	7.2
226.08881	1.7
228.06743	1.8
228.10321	2.0
230.08241	9.8
230.11900	1.6
238.08612	3.6
240.06535	1.8
240.10344	7.4
241.08707	1.6
242.08223	3.1
242.11835	3.7
249.10774	1.4
252.10251	1.6
253.05023	2.0
254.08188	3.1
258.07651	1.8
258.11340	12.8
260.12991	2.7
266.08005	1.5
268.09717	6.1
270.07745	3.7
270.11301	3.6
277.09982	1.5
279.11343	6.7
284.09320	3.8
286.10873	2.1
287.12009	1.7
288.12433	3.8
296.09332	4.4
302.10257	8.6
305.09369	2.2
305.12949	5.1
307.10825	4.2
312.08749	1.8
315.11319	3.6
328.95792	1.7
331.10840	2.6
333.09109	1.6
333.12421	40.7
334.12793	4.4
359.10345	4.1
375.13364	2.1
377.11453	5.1
385.15735	1.6
403.16507	2.6
411.13730	1.5
419.12656	3.2
421.17633	7.8
429.14548	11.8
447.15579	9.1
465.16843	1.5
473.13574	2.7
485.16040	1.6
513.15228	2.2
539.16925	9.7
540.17328	1.7
570.19794	3.3
598.19379	2.0
614.18713	14.9
653.19312	2.8
689.27179	7.5
715.25061	37.6
716.24811	6.6
733.26025	34.8
734.26270	5.0
759.23895	21.9
760.24982	3.3
776.23578	1.6
777.25024	28.0
778.25598	4.5
819.26086	2.7
879.28796	3.0
939.30145	27.0
940.31042	5.8
946.06616	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	940.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79018	0.8
69.27940	0.8
71.01389	11.5
71.50719	1.1
72.99306	1.9
73.02943	5.5
77.86718	0.8
83.01390	1.9
85.02965	4.1
87.00838	1.0
89.02445	3.3
95.01344	1.3
99.00904	1.1
99.05715	0.9
101.02446	8.4
111.81358	0.9
113.02432	5.8
115.07636	0.9
122.42101	0.7
123.04491	2.7
156.10246	2.9
158.11871	5.8
161.04567	1.2
167.14412	7.0
168.59186	1.0
211.13409	10.3
223.17055	1.2
229.14412	4.8
241.18031	1.3
265.18155	5.7
265.21671	3.1
272.18594	1.9
274.51752	0.9
308.22321	2.5
309.20609	2.6
320.17114	1.7
325.95041	0.8
470.27917	0.9
488.28830	1.7
568.35107	5.5
586.36011	22.8
587.36414	2.7
600.42444	0.9
628.37000	100.0
629.37292	13.3
758.19196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.3
71.01383	20.8
72.99310	1.5
73.02939	2.9
75.00855	1.0
77.39426	0.4
77.88261	0.4
78.41276	0.4
81.03456	1.3
83.01401	2.0
85.02953	5.3
87.00880	4.5
89.02447	19.0
91.03957	0.4
94.84998	0.4
95.01386	1.9
95.95377	0.5
97.02934	3.4
98.20727	1.8
99.00911	0.9
99.94918	0.4
101.02441	15.7
111.00893	0.5
113.02451	8.1
119.03501	5.6
125.02451	8.7
131.03517	0.7
139.04001	0.7
143.03520	3.1
150.10503	0.7
160.18939	0.5
161.04555	4.8
165.12845	10.5
166.13138	0.6
176.76375	0.4
179.05602	2.8
207.33063	0.5
217.07001	0.5
221.06642	1.5
235.06073	0.8
235.08215	8.4
247.20677	5.2
253.09258	1.7
253.21718	61.2
254.22031	3.2
263.07648	0.8
273.18570	2.7
287.07690	3.1
291.19650	39.4
292.19885	2.5
303.85287	0.5
305.08664	4.3
323.09851	1.4
379.12430	0.9
397.13477	100.0
398.13809	6.8
415.14566	31.8
416.15021	1.6
651.35999	4.6
652.36279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32046	0.2
69.37066	0.4
69.37473	1.1
70.19360	0.2
74.35033	0.2
75.71130	0.2
78.95898	54.0
79.44723	0.2
83.85540	0.2
88.70934	0.2
96.96954	6.3
150.97990	2.2
152.99573	100.0
153.99928	1.3
158.75955	0.2
161.83154	0.2
171.00629	3.9
204.31583	0.2
250.89435	0.2
277.21710	0.7
376.97485	0.2
429.29904	0.2
431.21979	29.6
432.22290	2.2
648.83398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57760	1.5
71.01384	1.4
78.95901	50.7
81.00635	0.2
85.02972	0.3
87.00875	0.3
89.02455	1.0
96.96965	6.4
98.19993	0.4
101.02443	1.3
113.02423	0.4
120.97002	0.2
125.02422	0.4
150.98033	1.8
151.98169	0.2
152.99579	100.0
153.99939	1.1
171.00648	3.7
235.08226	0.5
252.98602	0.2
255.23312	3.2
277.21646	1.0
291.19611	2.3
305.84692	0.3
397.08353	0.4
397.13510	6.2
398.13312	0.3
415.14526	1.4
431.21997	34.0
432.22345	2.6
637.42218	0.3
653.37677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	11.9
71.01373	72.7
71.50939	19.8
73.02955	24.6
82.74789	10.6
83.01397	16.2
85.02958	29.1
89.02449	35.6
99.08140	28.1
101.02444	45.7
113.02476	41.2
119.05009	32.5
123.04527	94.4
127.07643	41.9
129.05560	40.2
133.08459	12.3
143.21570	13.3
153.05553	37.1
161.04532	29.2
175.06088	17.8
223.13625	12.4
285.09653	19.7
327.14426	22.7
345.11115	23.7
345.15341	27.2
619.22229	100.0
648.06689	12.3
865.00977	18.9
876.07581	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	947.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	14.6
73.02947	4.8
83.01426	2.9
89.02450	10.5
99.08152	29.3
101.02435	13.5
110.29952	2.8
113.02449	7.5
116.01266	2.8
119.03505	5.8
119.05016	24.4
123.04519	44.4
125.02454	5.7
127.07664	33.3
129.05582	61.5
153.05565	24.6
161.04552	5.4
163.03996	42.6
171.06613	9.2
189.32870	2.8
221.06709	7.8
269.08456	4.2
285.09720	4.7
323.09647	13.9
339.61502	3.5
342.81186	3.7
431.13498	10.0
447.15002	7.6
457.17175	100.0
458.17264	9.8
473.14389	7.6
619.22308	62.9
620.22485	9.4
756.49817	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	947.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.4
69.32392	1.3
69.32805	0.4
71.01377	8.8
72.99300	0.8
73.02945	2.5
75.00852	0.4
81.03458	0.3
83.01380	1.5
85.02947	4.3
86.00098	0.3
87.00863	2.1
89.02435	3.1
92.00229	0.2
95.01384	0.8
97.02932	0.6
98.20618	0.3
99.00858	1.2
101.02435	6.5
111.00877	0.5
113.02445	3.0
118.62087	0.2
119.03483	1.0
123.04489	0.2
124.01648	0.3
125.02441	0.8
127.07671	0.2
127.11282	0.2
129.01945	0.7
131.03484	0.4
143.03477	0.5
153.05582	0.3
159.02960	0.2
161.04532	1.1
179.05632	0.2
189.07658	0.2
195.17513	0.5
196.35406	0.2
203.79877	0.2
217.28297	0.2
221.06721	0.2
239.20131	0.4
241.04854	0.3
245.06744	0.2
256.07257	0.3
267.26865	0.4
281.04282	0.3
292.28717	0.2
311.25885	17.4
312.26208	1.5
337.27463	0.4
499.32742	1.6
517.33765	9.0
518.33972	1.0
661.37604	1.7
679.39014	100.0
680.39337	12.6
785.47064	0.3
964.66821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36088	1.0
70.36465	1.1
71.01374	14.5
72.99287	1.3
73.02935	3.6
83.01384	3.7
85.02946	9.5
86.00079	0.6
87.00869	1.8
88.98808	1.8
89.02459	2.8
94.84484	0.5
94.85123	0.6
95.01379	1.4
96.96014	1.8
97.02972	0.9
99.00861	2.2
101.02433	11.2
111.00877	4.3
113.02439	5.2
116.92850	0.7
119.03533	0.8
123.04482	1.4
125.02441	1.5
126.04341	0.5
127.07666	1.2
135.08157	2.4
142.05199	0.6
149.06081	0.7
150.06844	4.2
153.05592	1.6
159.02957	0.6
161.04486	0.9
163.07632	83.8
164.07928	3.6
171.06633	0.5
220.74344	0.5
359.85852	0.6
446.34210	1.1
461.36322	5.8
462.35785	0.6
619.33228	1.6
623.41541	9.2
624.42120	0.9
780.59973	0.7
785.46863	100.0
786.47223	15.8
947.52618	7.7
948.51819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.5
71.01377	21.3
72.99281	2.1
73.02957	4.1
83.01382	2.3
83.78646	0.7
85.02950	5.3
87.00872	5.9
89.02440	21.1
90.41828	0.7
95.01352	1.1
96.96014	1.5
97.02942	4.3
98.19905	2.8
99.00883	1.8
101.02435	18.3
109.02940	1.0
113.02445	10.1
113.09698	5.1
115.00356	1.0
119.03498	5.6
121.02955	1.2
125.02437	10.6
131.03450	1.6
133.05061	0.8
139.11288	0.9
143.03467	3.0
161.04510	3.0
167.10789	0.8
171.10229	1.5
179.05630	3.7
196.33893	0.8
219.60941	0.8
221.06622	1.1
229.48747	0.9
235.08209	9.5
253.09203	1.7
255.23282	56.5
256.23560	3.9
263.07648	0.9
265.14801	1.2
275.20084	2.0
277.09109	1.0
287.07623	2.4
293.21213	31.6
294.21579	1.8
305.08746	3.9
323.09738	1.5
339.43423	0.8
345.46902	0.8
379.12070	0.8
397.13480	100.0
398.13892	5.2
415.14563	31.1
416.14783	1.6
462.20410	0.9
507.18387	0.9
615.07788	0.9
653.37482	7.1
654.38116	1.1
702.23035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	18.2
94.95378	4.3
101.02433	11.0
113.02402	4.9
119.03519	5.1
123.04528	5.3
127.07664	5.8
153.05534	7.0
163.07625	17.5
166.54530	4.1
171.06534	6.3
190.40349	5.6
264.59634	4.5
348.70255	5.3
617.22430	6.9
617.31769	100.0
618.32001	11.0
637.71710	5.6
785.46832	7.5
786.46973	27.5
948.42834	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	949.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05796	0.2
68.99570	0.4
71.50927	0.3
78.95902	54.8
79.12930	0.1
96.96964	6.6
115.00346	0.2
150.98018	2.0
152.99579	100.0
153.99913	1.1
170.99254	0.3
171.00635	4.1
175.02544	0.2
279.23337	0.7
285.49658	0.2
433.23575	36.3
434.23843	2.7
774.87189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99561	0.7
78.95899	52.0
81.79813	0.3
93.27929	0.4
96.96954	5.7
106.78811	0.3
112.98579	0.7
132.64120	0.3
150.97993	1.6
152.99577	100.0
153.99887	1.0
171.00624	4.1
172.47246	0.4
211.13455	0.6
224.49796	0.4
229.08350	0.4
277.21725	0.6
279.23297	0.8
312.95499	0.4
401.30612	0.5
402.30823	0.6
433.23563	34.8
434.23947	2.8
518.16034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.9
69.27199	0.8
69.27625	1.2
71.01379	15.2
72.99293	1.1
73.02941	2.8
78.95894	0.6
81.03460	0.8
83.01389	1.8
83.05004	0.5
85.02949	4.1
87.00874	3.6
89.02439	13.4
91.03989	0.4
93.03463	0.3
95.01385	1.1
97.02934	2.7
97.06583	0.3
98.20751	0.3
98.37595	0.2
99.00871	0.9
99.04550	0.3
99.08154	0.3
101.02435	11.3
103.13178	0.2
109.02952	0.2
111.00877	0.5
111.04514	0.2
113.01718	0.4
113.02444	5.6
113.09722	1.7
115.03986	0.4
119.03481	4.2
121.02958	0.5
125.02442	4.8
131.03476	0.6
133.05055	0.5
141.01907	0.3
143.03465	2.1
149.04550	0.4
152.99538	0.5
161.04546	2.6
169.04993	0.3
169.12288	0.3
177.12833	0.4
179.04039	0.3
179.05602	2.5
179.14384	0.8
181.12381	0.5
185.04453	0.2
195.13884	14.1
196.14241	1.0
217.07202	0.4
221.06613	1.1
235.08202	6.2
245.06409	0.3
251.23682	0.4
253.09222	1.2
255.23270	37.2
256.23578	2.0
263.07498	0.4
269.24744	0.3
277.21704	14.4
278.22144	1.1
286.42789	0.3
287.07779	1.9
293.21609	0.3
295.22754	100.0
296.23105	6.7
305.08804	2.9
323.09781	0.8
379.12585	0.3
397.13470	60.3
398.13815	3.6
415.14520	18.4
416.14795	1.3
608.26514	0.3
630.13123	0.3
653.37543	4.7
654.37891	0.5
829.19226	0.3
949.56061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
76.46320	5.4
89.02401	6.4
123.04549	9.7
127.07600	10.4
134.59589	6.0
148.62875	4.9
153.05556	40.3
171.06604	16.0
179.05545	10.5
208.95026	5.3
210.91048	5.2
212.84106	5.2
229.41245	4.8
255.04333	5.3
312.23523	5.2
316.73593	5.7
439.16061	91.0
440.16296	14.8
619.22290	100.0
620.22870	6.8
950.30988	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	950.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39746	9.2
69.40156	2.4
71.01379	2.6
75.60934	1.4
79.76759	1.4
85.02981	1.9
99.08169	5.1
101.02448	3.3
113.02415	1.8
117.24130	1.4
123.04488	8.1
127.07651	5.6
129.05551	9.6
139.39455	1.5
153.05609	4.6
161.04520	3.5
163.78220	1.5
245.06569	1.7
248.16811	1.5
254.49860	1.8
323.09897	2.3
439.16739	1.7
447.15216	2.2
457.17172	21.3
458.17911	1.9
619.22345	100.0
620.22510	14.9
653.55914	1.8
887.31683	2.9
950.31122	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	950.314
Annotation	Unknow
Peak:m/z	Relative Intensity
73.07000	5.9
82.91448	5.5
98.19843	15.3
99.08146	10.2
101.02428	7.6
123.04507	26.1
127.07656	17.0
129.05569	33.2
153.05591	10.3
163.04088	9.0
166.72038	6.5
171.06444	6.0
266.25769	6.8
457.17041	100.0
458.16806	7.3
619.22412	74.7
620.22577	8.6
621.20966	6.8
950.30896	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	950.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18388	27.0
69.18800	12.3
71.01382	11.4
73.02953	5.3
85.02961	4.8
88.98816	4.6
93.07294	4.2
95.81846	4.4
99.00946	4.6
101.02453	8.3
106.82377	4.1
113.02403	6.1
116.23093	3.7
118.42672	4.0
123.04464	5.1
142.34488	4.3
150.87914	3.7
153.05569	5.1
163.07622	9.2
175.25345	4.2
346.70776	4.9
376.63757	4.8
431.74927	4.1
619.33282	100.0
620.33490	13.1
786.46722	5.6
787.48529	6.3
788.48090	9.5
929.29834	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	951.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	1.4
83.01389	0.7
101.02405	0.8
107.01385	1.0
119.05021	1.6
127.07665	1.1
151.00378	3.7
163.03992	0.9
171.06647	0.6
175.00360	0.7
178.99754	0.8
186.75351	0.6
199.03867	0.9
203.03401	0.7
227.03470	2.4
229.43024	0.8
243.02995	2.6
255.02861	1.4
271.02460	28.8
272.02811	2.6
285.03961	1.3
299.01947	57.3
300.02579	8.4
301.03513	30.0
301.06494	0.6
302.03812	1.8
313.03406	1.1
351.12973	0.9
371.70810	0.7
401.18011	0.9
462.08008	17.5
463.08707	12.3
467.09393	0.7
505.09235	0.9
625.14063	100.0
626.14398	14.3
887.57202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	3.6
71.50986	0.8
73.02938	1.1
83.01367	0.9
85.02927	1.2
88.97542	0.5
89.02405	0.9
93.03452	5.5
101.02451	2.6
101.03030	0.4
107.01413	0.8
109.03000	0.4
113.02431	1.3
115.00376	1.0
115.05491	0.5
119.03530	0.6
119.05035	3.5
123.04514	0.8
123.92978	0.5
125.02453	0.7
130.04196	1.1
131.05002	1.1
132.05807	0.7
134.03732	0.8
143.04993	2.6
147.04530	1.2
151.00334	2.4
161.04498	1.2
163.04001	2.1
171.04437	0.8
193.05054	0.8
195.08151	9.9
199.04039	0.9
201.01936	0.6
207.08104	1.4
215.03415	1.7
219.08008	1.8
221.09676	13.7
222.09987	0.7
223.11290	8.2
223.13271	0.9
227.03462	2.6
237.09187	0.7
242.02185	3.4
243.02940	23.1
244.03345	0.9
248.08363	1.6
249.09145	6.0
250.09624	0.6
255.03047	1.1
257.04449	5.3
270.01712	5.2
271.02432	20.9
272.02707	1.2
285.04019	12.2
286.04700	4.2
292.07431	1.3
293.08194	1.1
299.01935	6.8
300.02719	4.7
311.09201	1.1
314.04288	40.1
315.04938	10.7
316.05206	0.5
334.70374	0.6
387.20157	2.2
417.17401	0.7
429.21121	5.1
455.13577	0.5
459.04843	0.6
473.14484	52.6
474.14920	5.4
477.10321	100.0
478.10638	9.4
479.10840	0.8
695.45435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.5
69.03459	2.6
71.01378	41.0
72.01726	0.5
72.99308	2.8
73.02943	8.2
77.03961	0.5
81.03441	1.5
81.07087	1.3
83.01391	5.2
83.04993	0.9
85.02948	9.7
87.00879	3.8
89.02442	43.2
90.02745	0.7
94.04237	0.6
95.01385	3.3
95.05018	2.4
97.02947	5.4
98.20741	1.3
99.00861	2.4
101.02437	29.0
109.06583	2.7
111.00868	1.6
111.04504	0.7
113.02446	16.9
119.03495	19.8
120.03885	0.5
123.03790	0.4
123.04515	17.3
125.02444	19.7
125.06107	0.7
126.02747	0.5
127.07648	19.2
129.05560	0.9
131.03490	4.6
131.05022	1.4
133.06615	1.3
138.03214	4.2
139.03961	1.1
143.03500	7.2
147.04518	6.5
149.04559	1.2
153.05569	45.3
154.05881	1.8
155.03477	0.9
161.04536	8.6
161.06050	4.2
167.03500	0.7
171.06615	5.8
179.05592	14.8
182.09601	0.5
189.05565	2.9
201.30151	0.5
201.32271	0.5
203.05624	1.7
221.06628	11.6
230.51422	0.9
245.06670	1.4
263.07727	5.9
323.09799	100.0
324.10062	4.4
439.15826	0.8
447.15070	12.8
448.15399	1.1
457.16830	1.3
601.21295	18.4
602.21698	2.0
953.32855	6.9
954.33649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	1.3
73.02945	0.5
81.03469	0.2
83.05027	0.7
85.02950	0.8
93.03502	0.2
95.05016	1.2
99.00861	0.3
99.08154	21.1
100.08485	0.5
101.02430	1.3
105.03464	0.4
109.06595	0.4
113.02446	0.7
117.13553	0.2
121.02979	0.3
123.04520	48.2
124.04873	0.9
127.07649	30.6
128.07962	0.8
129.05577	21.2
130.05948	0.3
136.39345	0.2
138.03232	0.6
149.02388	0.3
153.05568	20.8
154.05928	0.5
159.03026	0.3
161.04539	2.3
163.11307	0.4
169.45309	0.2
171.06618	4.5
189.07698	1.3
209.11806	5.2
227.12830	0.6
245.35982	0.2
285.09799	3.9
286.10056	0.2
439.16147	0.4
441.73923	0.2
457.17117	100.0
458.17429	7.8
483.94608	0.2
802.91333	0.3
853.28650	0.2
911.36780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	6.6
71.50986	2.8
73.02934	2.2
77.07241	1.5
81.03416	1.9
85.02943	3.6
88.98792	2.7
89.02438	3.1
96.38920	1.7
96.96000	1.6
99.08166	14.5
101.02442	2.7
111.00856	1.8
112.04026	6.5
113.02438	4.0
119.03522	1.8
119.05025	2.0
122.06072	1.9
123.04527	35.9
124.04000	5.8
124.04806	1.9
125.02409	2.8
127.07652	21.8
129.05563	20.5
135.33670	1.6
135.55269	1.5
137.02376	1.8
138.50801	1.4
151.00348	6.1
151.71600	1.5
153.05563	29.3
161.04500	3.8
163.03937	2.3
166.05075	84.3
167.05452	2.5
171.06596	6.8
184.06122	16.4
189.07594	2.3
208.06056	2.3
226.06268	2.9
241.08679	6.9
285.09772	3.8
328.10406	2.8
331.51266	1.9
417.36465	1.9
439.15921	7.5
452.15561	11.2
457.17114	100.0
458.17572	8.6
499.18536	2.1
507.38983	1.8
607.20111	2.0
617.61688	2.3
624.13031	2.9
624.22876	48.5
625.23419	5.5
725.26636	1.8
766.34149	1.7
892.32440	7.6
955.33044	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	955.319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.5
79.23569	1.3
81.03459	1.4
84.28565	1.3
85.02943	2.8
87.00872	1.4
88.98802	1.8
89.02444	3.0
95.05002	2.1
96.95984	1.5
97.02919	2.2
99.08147	10.0
101.02472	3.4
111.00814	1.3
112.04036	4.8
113.02474	2.9
119.05020	1.6
123.04531	36.9
124.04027	4.5
125.02446	3.0
127.07640	22.3
128.07990	1.9
129.05573	18.6
134.03755	2.2
140.07188	2.0
144.72290	1.5
151.00348	4.3
153.05560	21.2
161.04526	3.8
163.03955	1.7
165.05568	2.0
166.05077	77.3
167.05408	2.2
171.06578	3.9
184.06154	16.7
189.07602	1.9
190.82962	1.2
193.05028	1.7
208.06055	2.1
217.26204	1.5
219.26381	1.4
226.06229	2.8
230.26202	1.7
241.08720	6.7
256.21674	1.4
261.28479	1.3
285.09781	3.7
297.21954	1.3
328.10242	2.4
439.16183	6.1
452.15558	11.7
457.17120	100.0
458.17532	8.8
517.20526	1.6
570.45465	1.5
607.19971	3.5
624.22900	42.8
625.23199	4.3
743.25439	1.7
780.04535	1.6
790.18329	1.4
892.32605	8.2
893.32300	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	956.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	12.3
71.04993	0.6
71.41625	0.8
73.02937	5.7
83.01382	3.6
85.02956	5.0
86.72287	0.5
87.00868	1.6
89.02443	5.3
90.41335	0.5
95.01373	1.5
96.95995	0.7
97.02951	0.5
99.00891	0.8
99.08131	0.8
101.02437	10.4
107.23885	0.6
110.06140	0.7
113.02451	6.6
113.06080	1.0
119.03498	1.6
123.04528	3.3
124.04877	0.6
125.02418	1.2
127.07639	3.0
129.05576	1.5
130.08733	0.8
131.07135	1.1
143.03487	0.7
153.05568	2.8
156.10312	0.9
159.02989	0.7
161.04555	1.8
167.14403	8.6
171.06616	0.5
174.11333	9.5
179.05583	0.8
189.07506	0.7
204.08409	0.5
209.99905	0.5
211.05083	0.5
211.13391	11.4
223.17058	0.7
229.14433	6.3
237.18523	1.1
265.18073	4.2
267.19455	1.0
272.18622	1.8
281.21234	3.1
299.22287	0.9
308.22333	2.6
318.15585	1.3
325.20175	1.8
336.16684	1.9
416.22998	1.0
422.29257	1.1
434.23950	1.7
439.16037	1.0
457.17099	1.5
470.27676	0.8
488.28619	2.4
530.29529	2.8
584.34332	5.5
585.34131	0.8
602.35400	20.2
602.45184	1.0
603.35974	2.6
626.35693	1.8
644.36475	100.0
645.36768	12.9
660.25555	0.6
733.67682	0.6
774.18488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99538	0.7
71.01010	1.1
71.01378	13.3
72.99290	1.2
73.02951	4.6
82.94794	0.6
83.01386	2.3
85.02965	3.8
87.00864	2.3
89.02451	4.1
95.01382	1.6
96.95990	1.2
98.19907	2.1
98.59187	0.6
99.08134	1.4
101.02435	7.4
105.01884	0.7
112.98550	0.9
113.02438	6.0
115.00381	0.7
119.03487	1.2
123.04523	4.0
125.02459	1.0
127.07645	3.7
129.05562	1.7
153.05586	3.1
153.87369	0.5
160.35080	0.5
161.04550	1.0
161.25749	0.6
167.14371	8.5
171.06584	1.2
179.05455	0.7
192.32858	0.7
210.15044	1.3
211.11482	1.2
211.13380	14.1
212.13742	0.8
229.14470	8.1
229.43648	0.7
239.16356	0.6
254.17499	2.5
272.18655	10.4
281.21237	4.7
299.22256	1.4
325.20142	1.8
381.32224	0.6
416.22913	8.5
417.23099	0.8
422.29135	1.1
434.18497	1.0
434.23923	11.8
435.24170	1.4
457.17014	1.6
458.17419	0.9
476.24954	2.4
584.34308	5.6
585.35181	0.8
602.35406	23.1
602.45239	1.2
603.35742	2.9
626.35852	1.1
631.25372	0.7
644.36450	100.0
645.36902	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	959.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31832	3.3
71.01377	12.3
72.39931	0.4
72.99313	0.9
73.02927	0.5
79.05526	0.5
81.07080	2.8
83.01391	0.9
83.05020	1.2
85.02966	2.2
87.00856	0.6
89.02436	15.0
93.03478	0.7
94.04242	0.7
95.01375	1.1
95.05018	0.7
98.20676	0.8
101.02434	4.8
109.06596	5.7
112.10110	0.4
113.02430	5.3
119.03500	5.2
119.30664	0.4
123.04517	16.6
125.06055	0.8
127.07644	34.3
128.07956	0.9
138.03221	6.9
143.03485	1.5
144.80008	0.4
149.04543	0.6
153.05569	100.0
154.05922	2.4
161.04575	2.7
165.05571	0.7
171.06619	30.5
171.31909	0.5
172.06911	0.6
179.05605	14.1
187.11182	0.5
193.05016	0.6
237.51653	0.4
257.62930	0.5
296.65543	0.4
306.40991	0.4
333.11859	0.9
335.17242	1.2
335.50974	0.5
351.12961	0.6
439.16055	79.6
440.16293	5.5
461.15057	0.5
461.21994	0.5
467.15686	0.6
619.22375	50.4
620.22620	5.9
647.22217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71838	0.4
69.16454	0.5
69.17028	4.1
69.17260	0.8
71.01014	0.9
71.01379	14.1
72.99322	1.1
73.02922	0.7
81.07104	2.5
83.01370	0.8
83.05002	1.2
85.02951	3.2
87.00864	0.8
89.02444	14.1
93.03450	0.8
94.04254	0.5
95.01374	0.7
98.19925	0.7
101.02444	6.0
109.06593	6.6
113.02444	4.6
119.03483	5.9
121.02881	0.7
123.04522	16.4
127.07645	38.3
128.07976	0.9
131.03452	0.8
138.02235	0.9
138.03215	8.3
138.05467	0.4
143.03522	1.4
153.05565	100.0
154.05855	2.6
161.04524	2.8
171.06610	31.1
172.06960	1.2
179.05588	13.7
333.11801	0.9
335.17081	0.5
351.12808	0.9
439.16049	77.8
440.16360	6.2
619.22375	46.6
619.33020	0.9
620.22760	4.5
912.08411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.34
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62964	2.3
69.63378	1.7
71.01382	17.7
73.02943	5.9
74.59739	0.6
79.77203	0.6
83.01385	3.4
85.02953	10.7
87.00912	0.7
88.77187	0.7
89.02441	2.4
93.24434	0.6
95.01381	1.7
97.02976	0.7
99.00848	3.1
101.02444	15.8
105.70303	0.6
109.06606	0.8
113.02438	6.5
117.03477	2.8
119.05028	40.5
120.05366	1.4
121.02946	0.9
123.04510	3.0
127.07651	5.6
130.08752	0.8
141.50220	0.6
153.05586	13.8
159.02966	1.9
161.04558	5.7
163.04008	100.0
164.04349	2.1
171.06624	5.6
179.05597	2.5
196.22633	0.7
268.32104	0.6
269.08102	3.0
279.14481	24.9
280.14844	1.0
321.11847	0.7
321.15543	14.1
322.15714	1.2
325.09363	5.7
364.18784	1.0
431.13431	53.3
432.13721	5.1
439.10248	0.7
439.16107	11.9
440.16678	0.8
500.53680	0.7
619.22308	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	959.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01011	1.2
71.01384	17.6
71.05825	1.2
72.99284	0.7
73.02936	7.6
83.01383	3.2
85.02950	10.9
86.00117	0.9
87.00866	1.0
89.02451	2.8
95.01383	2.1
99.00883	2.7
101.02444	18.1
104.70387	0.7
109.06561	0.9
111.00895	0.7
113.02455	8.7
117.03466	2.6
119.05025	48.0
120.05347	1.3
121.02959	0.9
123.04504	1.8
127.07646	4.5
129.01939	1.0
130.08696	0.9
138.03197	0.8
145.02960	1.0
151.59479	0.7
153.05573	12.3
159.02975	2.5
161.04575	6.9
163.04001	100.0
164.04376	2.7
171.06586	4.0
179.05603	1.4
269.08182	4.6
279.14462	26.6
280.14749	1.5
321.15485	12.2
325.09229	4.4
364.18915	1.3
431.13416	57.3
432.13736	4.7
439.16098	9.0
440.16348	0.8
482.22775	0.6
492.87106	0.6
548.54877	0.6
611.21686	0.7
619.22192	4.9
620.22437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72044	3.1
69.72456	1.4
71.01381	67.6
72.99314	5.0
73.02937	1.9
77.18438	0.9
83.01392	2.4
83.59393	0.9
85.02946	10.8
87.00893	3.8
89.02445	95.4
90.47713	0.8
95.01395	3.6
99.08165	2.3
100.49712	0.9
101.02444	33.2
113.02450	27.0
116.05020	1.0
119.03502	35.0
119.04351	2.0
123.09277	0.8
127.07660	14.1
129.05562	7.5
131.03546	4.3
143.03506	10.1
149.04565	3.6
153.05592	9.9
161.04556	13.9
163.03972	1.5
171.06630	4.0
179.05614	100.0
180.05948	2.8
189.07693	2.4
227.03523	1.2
232.00465	0.8
255.02959	6.8
270.01743	0.8
283.02426	13.7
284.03119	2.2
285.04071	10.1
291.10864	4.2
303.10077	1.0
313.03784	2.2
315.05148	2.6
351.12955	59.5
351.16595	3.6
352.13269	2.8
447.09253	3.2
477.10419	1.7
609.14618	10.8
610.15149	1.7
639.15454	3.6
755.63293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01027	0.1
71.01378	0.7
71.50762	0.2
73.02940	0.2
77.35342	0.1
83.01400	0.2
83.05035	0.2
84.85405	0.2
85.02946	0.7
89.02446	0.3
95.05045	0.2
96.95975	0.2
99.08154	15.2
100.08485	0.4
101.02444	0.4
101.06091	0.3
113.02422	0.4
123.04530	0.7
127.07648	17.4
128.08028	0.4
129.05574	54.2
130.05898	1.1
143.07114	0.3
145.08708	2.2
153.05615	0.3
163.03981	0.2
171.06609	3.2
171.08076	0.2
172.06976	0.2
189.07669	100.0
190.08009	2.9
195.06493	0.2
217.29750	0.1
423.09534	0.1
665.37482	3.1
666.38019	0.2
753.76978	0.1
754.61621	0.1
763.01849	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	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.1
71.01376	17.2
72.99310	1.2
73.02927	1.8
83.01358	1.7
85.02949	2.6
87.00875	3.3
89.02436	15.4
93.70918	1.0
97.02955	2.6
99.00848	1.0
99.08138	3.6
101.02449	11.5
113.02448	7.5
113.27050	0.9
119.03491	2.8
123.04509	9.5
125.02462	5.5
126.53217	0.9
127.07663	5.8
129.05547	4.0
141.01721	1.0
143.03435	2.0
153.05562	5.3
161.04541	3.0
171.06560	1.4
179.05565	4.8
183.13902	9.1
193.12227	1.2
211.13387	100.0
212.13684	4.1
221.06589	1.8
222.20554	0.9
235.08234	6.3
253.09189	1.4
253.21718	1.6
255.56184	1.0
277.21716	48.4
278.22003	2.4
287.07654	1.4
305.08731	1.4
323.09680	2.4
379.12421	11.7
397.13495	37.6
398.13699	1.1
415.14481	6.4
457.16989	2.2
493.01688	1.0
532.64832	1.0
591.26440	9.1
609.27441	7.8
610.27704	1.3
657.34735	2.7
675.11145	1.2
675.36261	2.0
693.38251	3.3
869.49182	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	961.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36702	3.0
69.37122	7.4
71.01376	15.0
71.59705	1.1
72.84291	1.2
72.99314	1.3
73.02952	2.7
80.85194	1.2
83.01392	2.2
83.54376	1.3
85.02964	3.1
87.00873	5.0
89.02438	15.9
89.64922	1.1
92.67478	1.2
96.95990	3.3
97.02922	2.7
99.08160	3.6
99.11947	1.1
101.02426	9.1
113.02460	6.8
119.03467	4.0
121.73271	1.4
123.04511	8.2
124.93055	1.5
125.02428	5.4
126.87803	1.2
127.07630	4.7
129.05595	2.0
130.73999	1.3
153.05563	3.9
161.04535	2.9
171.06593	1.8
179.05583	4.6
183.13857	6.4
211.13371	100.0
212.13667	3.0
221.06718	1.3
235.08147	5.4
254.83482	1.3
277.21698	55.7
278.22046	2.5
279.23285	2.4
287.07578	2.3
293.05020	1.2
323.09991	1.3
379.12305	12.0
397.13483	44.1
398.13837	1.6
415.14581	7.3
457.17172	4.6
483.04797	1.4
551.45935	1.3
591.26379	7.9
609.27759	7.0
657.34766	2.9
675.35938	5.7
792.65851	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	963.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.6
71.01783	0.5
72.99284	0.4
73.02942	3.2
82.35822	0.3
83.00945	0.4
83.01371	2.1
85.02946	5.0
87.00884	0.4
89.02451	0.8
93.03431	0.3
94.53661	0.3
94.85555	0.3
95.01350	0.8
96.93176	0.3
98.19898	1.0
99.00877	1.7
101.02433	8.4
113.02442	4.3
117.03492	1.2
119.05024	55.1
120.05340	1.7
121.32245	0.3
134.13876	0.4
145.03036	0.3
159.02965	0.6
161.04518	4.3
163.04001	100.0
164.04355	3.2
174.96628	0.3
180.71054	0.3
249.14223	0.3
269.08160	5.6
270.08475	0.4
283.11853	10.0
284.11844	0.5
325.09320	29.2
325.12924	5.2
326.09589	1.6
326.13187	0.4
401.51196	0.4
431.13409	23.9
432.13809	2.2
583.78815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.4
71.05584	0.4
73.02946	0.5
77.03967	0.7
81.07111	0.4
83.05028	0.6
85.02950	1.0
89.02464	0.2
93.03468	0.5
95.05020	4.3
99.00842	0.2
99.08154	34.3
100.08495	0.7
101.02442	0.9
101.06081	0.4
105.03443	0.9
109.06589	1.4
113.02457	0.7
119.03539	0.2
121.02950	0.7
123.04520	100.0
124.04840	2.6
126.83498	0.2
127.07648	58.3
128.08012	1.2
129.05577	47.5
130.05910	0.9
138.03232	1.8
143.07108	0.4
149.02440	1.1
153.05568	55.2
154.05858	1.5
161.04544	2.0
171.06615	13.0
172.07071	0.2
189.07678	2.2
191.08644	0.2
211.13232	0.2
229.17393	0.2
255.23265	9.3
256.23627	0.6
269.24878	0.2
279.23425	0.3
285.09766	6.4
317.03912	0.2
399.27371	0.2
439.16150	3.2
440.16122	0.3
457.17126	28.6
458.17493	2.5
523.32703	4.2
524.32977	0.5
677.39392	0.9
695.40070	44.4
696.40405	6.9
838.46478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.3
73.02937	0.3
77.03968	0.5
77.68575	0.2
79.85649	0.2
81.07088	0.3
83.05003	0.5
85.02964	0.8
93.03463	0.8
95.05012	4.0
99.00893	0.3
99.08154	33.0
100.08492	0.8
101.02440	0.7
105.03451	0.9
109.06603	1.2
113.02422	0.6
121.02972	0.7
123.04520	100.0
124.04843	2.5
127.07648	56.9
128.07950	1.3
129.05576	34.9
130.05908	0.6
138.03221	1.6
143.07239	0.2
146.06104	0.3
149.02444	1.2
153.05566	55.5
154.05908	1.3
161.04556	1.8
171.06619	12.7
172.06989	0.4
189.07704	2.1
229.73219	0.3
255.06630	0.2
255.23274	11.1
256.23611	0.6
258.83530	0.2
269.25021	0.3
277.21957	0.2
285.09760	3.9
297.24179	0.3
399.27371	0.3
439.16092	2.9
440.16357	0.3
444.23251	0.2
453.07718	0.2
457.17120	35.4
458.17447	2.8
523.32666	4.8
524.32843	0.4
677.38666	0.3
695.40063	22.4
696.40460	3.5
830.36273	0.3
878.48364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.7
79.92201	0.2
83.05029	0.3
85.02964	0.6
89.02412	0.4
94.70779	0.2
98.20677	0.5
99.08153	14.6
100.08498	1.0
101.02448	0.4
101.06080	0.2
110.18526	0.2
111.00913	0.2
119.05003	0.3
119.51969	0.2
123.04493	1.0
127.07649	15.9
128.08006	0.9
129.05576	56.7
130.05894	2.9
131.06017	0.6
143.07152	0.3
145.08719	2.3
146.09074	0.2
153.05618	0.3
163.04073	0.3
171.06612	3.3
172.07149	0.2
189.07669	100.0
190.08003	8.3
191.08142	2.0
230.29851	0.2
286.17105	0.2
666.36987	0.3
667.38953	2.2
668.38867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.9
69.13401	2.6
69.13822	1.8
71.01380	20.1
72.01713	0.4
72.99298	2.0
73.02943	2.8
75.00855	0.7
81.03432	0.7
83.01368	2.7
85.02947	4.0
87.00871	5.1
89.02442	19.9
95.01376	1.7
97.02950	3.6
97.06561	0.7
98.20670	0.9
99.00890	1.5
101.02444	17.7
101.03116	0.9
109.02996	0.5
111.00829	0.6
111.04529	0.7
113.02450	8.3
115.04018	0.5
119.03495	6.7
121.03050	0.4
125.02447	7.1
131.03497	0.6
133.05029	0.6
134.83685	0.4
139.03984	0.8
143.03497	4.1
148.08931	0.4
149.04535	0.8
150.10529	0.4
159.03056	0.5
161.04529	4.7
163.11317	0.7
165.12840	9.6
167.03477	0.8
175.11258	0.5
179.05630	4.3
204.15187	0.5
217.07237	0.7
219.05075	0.5
221.06644	1.6
235.08214	9.1
236.08551	0.4
247.20665	5.4
253.09261	2.1
263.07669	0.7
273.18561	2.9
277.09299	0.9
277.21698	54.6
278.22009	2.6
287.07736	2.6
291.19659	30.8
292.19931	2.0
305.08817	3.9
323.09729	1.3
379.12619	0.6
386.93271	0.5
397.13477	100.0
398.13919	4.4
415.14545	34.1
416.14871	1.6
675.35803	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	967.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.3
71.01378	24.3
72.01701	0.3
72.99306	2.2
73.02945	4.4
73.26381	0.3
75.00859	0.8
81.03443	0.7
82.69312	0.3
83.01380	2.6
83.05006	0.4
85.02940	5.2
87.00871	6.1
89.02441	23.7
91.03993	0.5
93.03438	0.4
95.01382	2.1
96.96011	0.5
97.02939	4.9
97.06539	0.5
99.00895	1.6
101.02439	20.0
103.03973	0.4
109.02950	0.7
111.04508	0.7
113.02438	9.4
115.04015	0.4
119.03497	6.1
119.05002	0.5
121.02981	0.4
123.04494	0.4
124.01642	0.4
125.02435	9.0
127.03989	0.7
128.11594	0.4
131.03487	0.8
133.05029	0.6
139.04007	0.8
143.03491	3.7
148.08867	0.9
149.04497	0.7
150.10466	0.9
161.04549	5.2
163.11282	0.4
165.12836	13.9
167.03438	0.6
169.04997	0.5
179.05623	4.6
185.04506	0.4
199.06105	0.6
202.20084	0.3
209.84570	0.3
217.07095	1.0
221.06599	1.6
229.27661	0.4
229.37306	0.4
235.08200	11.2
245.06609	0.7
247.20648	6.6
248.20952	0.4
253.09196	2.0
259.20486	0.4
263.07709	1.0
273.18610	2.9
277.21695	57.8
278.21988	3.4
287.07727	3.3
291.19638	42.1
292.19974	2.8
305.08746	4.6
308.68811	0.3
323.09805	1.5
379.12256	0.6
397.13486	100.0
398.13776	4.4
415.14545	33.8
416.14886	1.5
419.97342	0.4
540.33154	0.4
675.35876	3.9
676.36279	0.5
938.13446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55148	1.2
71.01382	1.2
73.02926	0.5
77.03992	0.2
79.05523	0.4
81.07092	3.5
83.05025	1.8
85.02932	0.5
93.03440	1.6
94.04241	0.8
95.05025	1.5
97.02930	0.4
101.02428	0.6
105.03461	0.4
107.05035	0.2
109.06587	7.0
110.06906	0.2
113.02467	0.4
117.03456	1.3
119.05022	12.6
120.05375	0.6
121.02952	1.2
123.04522	21.0
124.04874	0.6
125.02422	0.3
125.06047	0.6
127.07650	16.5
128.07968	0.3
132.05798	0.7
133.02962	0.2
133.06575	2.4
134.03729	0.4
138.03226	9.2
143.03461	0.3
145.02950	5.0
149.02441	0.2
153.05568	100.0
154.05910	2.9
159.04439	0.2
161.04562	0.6
161.06055	3.9
162.06451	0.3
163.04001	9.9
164.04314	0.5
171.06621	11.9
172.06979	0.2
187.03949	0.9
187.11446	0.3
191.07251	0.2
193.05054	0.6
203.05623	0.6
205.05037	3.4
217.05067	0.3
235.06339	0.2
244.08141	0.2
247.05919	0.2
285.09680	0.4
300.48688	0.2
307.08145	0.3
325.09277	4.2
326.09543	0.2
344.50217	0.2
367.10336	1.4
375.38040	0.2
409.10944	0.2
433.67752	0.2
439.16064	49.0
440.16391	4.1
455.69226	0.2
529.15320	0.2
634.55212	0.2
969.32196	4.4
970.32086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05534	0.2
68.99801	0.2
69.37269	1.3
71.01374	1.1
73.02946	0.5
74.18913	0.2
79.05508	0.2
81.07098	3.4
83.01390	0.2
83.05035	1.6
83.14921	0.2
85.02966	0.3
89.02427	0.3
91.05527	0.2
93.03458	1.6
94.04242	1.0
94.60278	0.2
95.05029	1.4
97.85453	0.2
98.34925	0.2
99.08151	0.2
101.02438	0.6
105.03444	0.3
107.05106	0.2
109.06593	6.3
110.06900	0.2
113.02463	0.4
117.03466	0.8
119.05032	9.7
120.05333	0.3
121.02959	0.8
123.04527	20.7
124.04858	0.5
125.02443	0.3
125.06074	0.6
127.07655	14.7
128.07977	0.5
129.05615	0.2
130.92865	0.2
131.04955	0.2
132.05817	0.4
133.02881	0.2
133.06596	1.5
134.03737	0.2
134.71390	0.2
137.02467	0.2
138.03227	9.6
139.03551	0.3
145.01906	0.2
145.02975	3.1
149.02432	0.4
150.05585	0.2
153.05576	100.0
154.05913	2.5
159.04482	0.4
161.04555	0.8
161.06087	2.7
162.03159	0.3
163.04016	6.2
164.04391	0.5
171.06628	13.8
172.06920	0.4
172.08974	0.2
175.02527	0.2
177.05672	0.3
180.21524	0.2
187.03947	0.9
187.11276	0.3
203.05736	0.2
205.05060	3.8
205.52940	0.2
205.74454	0.2
233.11890	0.2
235.06065	0.3
285.09836	0.5
307.08270	1.2
325.09259	0.9
333.11774	0.2
367.10291	1.0
410.04004	0.2
431.13336	0.2
439.16080	54.2
440.16412	4.1
449.89322	0.2
457.17517	0.2
564.36987	0.2
701.22742	0.4
807.27679	0.2
969.32050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.6
69.96626	1.8
71.01380	10.8
73.02943	10.7
75.00856	0.6
79.05561	0.5
79.95746	0.8
81.03432	0.6
81.07109	2.1
83.01394	2.5
83.05029	1.4
85.02940	3.4
87.00877	0.4
89.02430	1.5
93.03460	1.0
95.01368	0.4
95.05029	0.6
96.95975	0.5
97.02959	1.1
99.00869	0.6
99.08137	0.6
101.02441	12.2
107.05041	0.4
109.06577	5.5
113.02448	6.1
116.31808	0.4
119.03511	1.5
119.05051	1.0
121.02920	0.5
123.04525	18.1
125.02467	2.4
125.06090	0.6
127.07649	36.5
129.05571	1.8
131.03488	1.1
133.77547	0.4
135.04520	1.0
138.03224	8.1
143.03497	4.4
149.04576	1.4
150.03233	1.2
151.03880	0.5
153.05569	100.0
154.05882	2.7
155.03517	1.3
159.11763	0.3
161.04572	4.1
161.05916	0.8
162.03152	0.5
163.04012	0.9
165.05547	1.1
171.06622	23.8
172.06993	0.7
179.05618	0.6
181.05099	2.0
182.05428	0.7
187.11241	0.4
189.07701	0.4
195.06590	0.7
203.05605	6.0
221.06633	2.8
249.86591	0.4
263.07651	1.6
285.09778	1.2
333.11902	0.5
345.11865	0.9
351.10687	0.9
353.08347	0.5
421.15051	1.2
435.14862	0.8
439.16061	66.0
440.16385	6.0
457.16974	0.6
481.17126	20.7
482.17487	2.0
523.18060	0.6
558.73663	0.4
661.23383	2.4
683.48456	0.5
703.24536	23.1
704.24597	3.0
971.27112	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	971.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.3
69.90886	4.2
71.01376	9.0
71.05015	1.0
71.69134	0.7
73.02956	2.4
83.01385	1.5
83.05021	1.4
85.02942	2.6
87.00867	2.9
89.02451	8.9
95.01335	0.8
97.02968	1.0
99.00833	0.8
101.02453	8.7
111.08157	1.1
113.02438	3.6
119.03491	3.2
119.08681	6.3
125.02438	4.2
125.09715	3.2
126.72665	0.9
127.11305	1.2
134.98557	0.8
137.09721	10.8
143.03505	1.1
155.10785	2.2
161.04541	1.7
167.10796	1.3
169.12311	1.6
171.10266	38.4
179.05583	1.8
185.11844	9.2
197.11818	4.8
201.11333	2.9
209.15504	1.6
211.13432	1.7
213.11356	2.9
225.15036	0.8
229.19574	1.3
235.08289	4.8
263.20132	22.2
264.20462	1.5
273.18591	3.4
287.07776	1.8
288.20163	0.8
291.19659	11.9
305.08801	1.0
309.20694	100.0
310.20981	6.8
397.13513	41.8
398.13867	1.7
415.14600	12.8
661.34686	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	971.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99791	0.2
69.03452	1.4
71.01378	17.7
71.50813	0.2
72.01678	0.2
72.99310	1.6
73.02563	0.2
73.02941	2.8
73.16158	0.2
75.00861	0.4
81.03448	0.7
83.01380	2.2
83.05010	0.3
84.29967	0.1
85.02947	4.0
87.00872	4.0
87.04490	0.2
89.02439	14.5
90.02768	0.2
93.03413	0.2
95.01386	1.4
95.05004	0.5
95.21843	0.1
97.02950	3.3
97.06552	0.2
99.00872	1.0
99.04497	0.2
101.02437	14.5
102.02773	0.2
103.03968	0.2
109.02939	0.4
111.00883	0.4
111.04513	0.6
111.08147	0.3
112.33440	0.1
113.02444	6.8
113.09729	0.4
115.04007	0.3
116.92875	0.4
119.03490	4.1
121.02927	0.4
123.00912	0.2
123.04501	0.2
124.01678	0.2
125.02438	6.2
125.09690	0.2
127.04012	0.3
131.03474	0.7
133.05064	0.5
137.02454	0.2
139.03981	0.6
141.01935	0.3
141.09297	0.2
143.03474	2.5
149.04529	0.6
157.04973	0.2
159.02971	0.2
160.49554	0.2
161.04539	3.5
167.03455	0.5
167.10811	0.3
177.12822	0.3
179.05606	3.2
179.10748	0.3
179.14371	1.0
181.05020	0.2
181.12355	0.2
185.04512	0.4
195.13887	8.3
196.14479	0.6
199.06049	0.2
203.05615	0.2
205.12270	1.0
205.15955	0.5
211.13393	0.6
217.07117	0.5
221.06625	1.1
223.13383	6.7
224.13873	0.3
228.13661	1.1
231.21199	0.5
235.08202	7.2
239.12846	0.2
245.06538	0.3
249.22156	0.2
253.09250	1.5
256.13113	1.7
261.22180	0.2
263.07681	0.6
265.21744	0.4
275.20160	4.9
276.20560	0.2
277.09286	0.5
279.23257	50.5
280.23624	2.8
287.07718	2.7
293.21198	100.0
294.21527	5.4
305.08752	3.0
323.09778	0.8
361.11380	0.2
379.12466	0.5
397.13470	70.7
398.13770	3.3
415.14542	23.3
416.14801	1.0
677.37512	3.5
678.38184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.0
72.99312	0.9
81.07100	3.1
83.01393	0.5
83.05035	1.5
85.02975	2.1
85.03409	0.4
87.00871	0.8
87.46449	0.4
89.01931	0.8
89.02442	8.8
89.35929	0.5
93.03463	1.3
94.04246	0.8
95.05018	0.5
101.02442	3.7
109.06589	5.9
113.02461	2.9
115.00448	0.5
119.03493	3.2
121.02904	0.6
123.04525	14.5
127.07651	35.0
128.07996	1.1
137.09476	0.4
138.03233	7.6
143.03537	0.6
149.02464	0.8
153.05571	100.0
154.05911	2.2
156.65820	0.4
161.04541	1.3
171.06622	22.5
172.06953	0.8
174.21872	0.4
179.05598	9.0
185.23613	0.5
221.06648	0.4
229.12216	0.5
243.03030	0.5
249.28992	0.4
314.04495	0.5
351.12766	0.4
421.15033	2.0
439.16068	20.0
440.16348	1.2
477.10019	0.6
481.17133	68.3
482.17542	6.1
528.52386	0.5
619.22345	9.3
619.31744	0.7
620.22723	0.9
661.23413	24.4
662.24115	2.6
973.34985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	12.1
72.99315	1.0
73.02940	1.9
81.07087	3.2
83.01376	1.0
83.05013	1.0
85.02939	3.7
87.00867	0.6
89.02434	13.8
93.03461	0.8
95.01365	1.5
95.05026	1.3
98.19926	1.6
99.08155	0.7
101.02436	7.6
109.06590	4.7
109.42139	0.5
113.02444	7.0
115.07111	0.5
119.03487	5.2
121.02927	0.5
123.04517	27.7
125.06084	0.7
127.07642	39.3
128.07985	0.8
129.05609	0.8
138.03232	8.5
143.03473	1.5
149.04596	0.8
153.05562	100.0
154.05884	3.2
155.47372	0.5
161.04581	3.7
171.06618	26.8
179.05589	16.8
182.48639	0.5
194.70935	0.6
197.07072	0.5
216.22885	0.5
221.06613	1.7
229.16539	0.5
267.63947	0.5
267.66794	0.5
280.06372	0.5
327.10815	5.4
328.11389	0.6
333.11737	0.9
371.09723	0.7
421.14944	1.7
423.14352	0.5
439.16058	42.2
440.16415	3.4
457.16953	1.4
481.17102	39.8
482.17258	3.2
531.12457	0.5
619.22284	11.9
620.22827	0.6
640.47418	0.6
661.23389	25.9
662.23328	2.7
973.32623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.9
71.01379	21.7
71.68666	0.3
72.99302	2.0
73.02949	3.3
75.00864	0.6
81.03434	1.2
83.01389	2.7
85.02950	6.6
87.00875	6.0
88.01202	0.4
89.02439	20.8
91.04023	0.4
95.01363	1.5
97.02948	3.9
99.00866	1.3
101.02439	17.6
109.02908	0.4
109.06545	0.5
111.00896	0.4
111.04478	1.0
113.02454	9.4
113.09721	6.0
115.03945	0.3
115.28260	0.4
119.03492	6.0
121.02948	0.6
121.10204	0.8
125.02436	8.5
131.03499	0.8
133.05055	1.0
139.03984	0.5
139.11188	0.4
141.12721	0.4
143.03491	3.0
161.04538	3.9
167.03467	0.7
167.10771	0.9
169.05046	0.5
171.10228	1.8
177.12894	0.5
179.05592	4.9
179.10751	0.7
185.04552	0.5
195.13959	1.3
199.05969	0.4
217.07143	0.8
219.05052	0.5
220.14655	0.3
221.06638	1.3
221.15521	0.5
229.27345	0.5
235.08194	10.0
236.10548	0.5
245.06540	0.6
249.22113	0.7
253.09251	2.5
255.23308	1.9
263.07742	0.9
275.20071	2.0
277.09164	0.8
277.21756	1.3
281.24832	67.8
282.25186	3.8
287.07703	2.8
293.21210	36.3
294.21570	2.8
305.08752	5.2
323.09598	1.6
326.48105	0.3
361.11264	0.6
379.12512	1.5
397.13470	100.0
398.13791	5.2
415.14551	32.3
416.14838	2.4
586.67419	0.4
656.10254	0.4
679.38885	5.0
680.39099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34872	12.6
71.01380	19.1
83.01395	7.0
85.02936	5.8
85.07716	3.4
87.00900	5.8
88.42018	3.7
89.02435	21.8
98.20567	4.3
101.02425	15.5
112.27775	3.7
113.02449	13.2
119.03453	7.6
125.02435	11.3
161.04579	6.1
167.20377	4.1
169.14948	4.1
179.05579	4.4
188.02542	4.3
235.08089	9.1
255.23308	100.0
256.23465	4.2
277.21732	82.7
287.07675	4.5
379.12479	24.6
393.03076	4.1
397.13535	60.2
415.14697	10.8
662.51477	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	975.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	9.6
74.11815	3.4
80.91123	3.1
85.02953	4.4
87.85136	2.9
93.03503	3.8
107.50974	3.0
108.22420	3.2
109.06587	4.9
121.02914	3.8
123.04491	23.0
127.07656	20.7
138.03218	7.3
147.67114	3.2
153.05573	100.0
154.05882	4.8
171.06604	12.7
246.25061	3.2
249.14960	3.2
269.10394	4.5
327.08762	7.9
439.16098	69.2
457.17047	11.7
619.22455	30.9
707.03900	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	975.601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41039	5.4
69.41454	12.0
70.86535	2.0
71.01357	2.6
78.95912	14.0
142.99771	3.2
152.99556	19.1
174.01657	3.0
211.13319	9.0
234.94804	2.1
255.23257	100.0
256.23566	3.8
264.07483	2.0
277.21692	6.9
278.22049	2.5
286.47620	2.4
353.16379	2.1
404.73999	2.4
483.27289	66.9
484.27332	4.4
486.54620	2.7
488.78845	2.5
630.41718	2.4
975.50757	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	976.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83370	100.0
76.53372	36.8
77.88797	41.2
83.71050	39.5
94.55753	40.0
98.20580	79.1
101.05314	46.2
144.09706	37.8
397.13364	44.0
472.59775	50.7
724.70795	48.0
1004.37146	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.1
72.99323	0.2
77.62670	0.2
78.08120	0.2
85.02949	0.8
87.00864	0.2
89.02448	3.2
95.01413	0.3
98.20639	0.8
99.08168	0.6
101.02415	2.1
101.02923	0.2
112.33879	0.2
113.02460	1.1
119.03500	1.4
127.07649	71.4
128.07971	2.0
136.09450	0.2
145.08696	0.7
153.05589	0.3
161.04541	0.4
171.06621	48.0
172.06981	1.8
179.05624	1.4
243.34438	0.2
249.69022	0.2
271.02448	0.4
299.01941	1.0
301.03644	0.4
307.14056	1.0
344.58536	0.3
351.12933	100.0
352.13269	5.8
462.07846	0.3
625.14142	1.1
713.42877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45661	0.4
69.45959	1.3
70.34634	0.2
71.01400	0.2
88.98806	100.0
89.99143	0.8
90.22433	0.2
123.04461	0.3
127.07661	0.4
153.05602	1.6
168.57353	0.2
171.06580	0.3
179.05634	0.2
227.03462	0.4
255.02966	0.7
256.59567	0.2
277.26126	0.2
284.03287	0.6
337.37506	0.2
439.16150	1.6
440.16415	0.5
447.09433	0.8
479.28729	0.2
619.21967	1.3
620.23053	0.4
638.93127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15442	9.5
69.15855	17.0
71.01081	2.6
71.01390	29.9
71.20039	2.6
72.99294	5.6
73.02940	10.9
81.03435	3.2
83.01400	5.7
85.02943	14.4
86.25603	2.3
87.00878	7.3
88.98832	3.8
89.02435	9.5
95.01355	3.7
95.05032	5.2
96.96007	3.0
99.04515	10.8
99.08158	4.5
101.02439	20.6
105.01944	48.9
106.06651	3.6
113.02471	18.7
119.03439	4.6
123.04518	39.7
125.02477	3.4
126.98932	2.6
127.07635	9.8
129.05583	8.4
137.02444	4.3
150.06805	3.5
151.00372	3.0
153.05559	16.9
161.04556	23.7
161.13377	45.1
171.06618	3.8
179.05678	2.4
185.13336	2.8
187.11211	18.1
189.07628	4.3
197.84982	2.6
203.05624	3.5
205.12315	99.7
207.10312	3.5
221.06729	16.9
223.13385	83.0
224.13609	3.4
229.12337	2.7
247.13295	4.2
249.11311	56.4
251.08267	5.7
257.46378	3.0
262.16107	2.8
267.12384	33.3
279.07724	7.5
285.09772	5.2
285.12656	3.1
293.09393	3.6
309.13422	11.1
321.08752	17.8
341.33395	2.8
345.32230	2.5
355.13870	5.6
357.19098	3.8
371.09753	3.8
375.20227	15.0
439.15628	3.2
453.18021	3.9
457.17245	4.5
470.28345	2.6
497.16287	3.4
499.18793	3.8
517.20477	18.4
535.21918	28.4
559.21472	10.5
577.22791	26.7
603.20721	44.6
604.21472	5.0
605.22473	18.6
606.23181	3.0
621.21637	11.5
623.23389	33.9
624.23749	5.9
647.23572	3.9
650.66077	2.8
665.24646	8.3
691.22589	43.5
692.22516	4.5
709.23395	4.1
711.67126	2.9
784.23279	16.3
889.31494	41.3
890.31622	5.0
946.29535	3.0
977.32886	100.0
978.33563	20.9
1003.82855	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	977.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64107	0.2
71.01380	0.4
71.50652	0.2
81.07115	0.6
83.05020	0.7
85.02940	0.7
88.98813	0.2
89.02428	0.3
96.96859	0.2
99.00858	0.2
99.08155	100.0
100.08488	2.0
101.02467	0.3
101.06098	0.7
109.06608	0.9
113.02467	0.3
119.04993	0.4
123.04558	0.3
127.07651	52.8
128.07968	1.1
129.05576	75.3
130.05875	1.4
134.03745	0.9
138.03239	0.8
143.07123	2.2
153.05569	11.8
154.05919	0.3
171.06618	23.5
172.06958	0.5
193.05046	0.8
229.72615	0.2
229.83374	0.2
255.12384	2.7
256.12570	0.2
273.13419	53.3
274.13776	1.6
411.58801	0.2
435.18680	8.6
436.19229	0.5
443.30951	0.2
461.14700	0.3
738.77966	0.2
922.70056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50109	0.3
77.16613	0.2
78.64309	0.2
78.95901	57.9
93.75594	0.2
96.96048	1.3
96.96955	7.1
105.30309	0.2
150.98026	2.3
151.76350	0.2
152.99576	100.0
153.99898	1.2
171.00621	4.3
175.46989	0.2
183.01236	0.5
262.81073	0.2
274.07254	0.3
277.21536	0.2
279.23221	0.9
287.42584	0.3
311.16885	2.1
343.41321	0.3
406.56708	0.2
433.23563	30.2
434.23962	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	981.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60443	1.4
71.01388	0.8
73.76359	0.3
85.02965	0.4
95.05011	0.3
98.20626	0.5
99.08160	8.7
101.02443	0.6
119.05025	0.3
121.46088	0.2
123.04525	19.2
124.04843	0.5
127.07655	12.8
128.08012	0.3
129.05580	9.2
138.03229	0.3
139.34007	0.2
153.05574	11.0
154.05844	0.2
161.04555	0.7
166.60686	0.2
171.06631	2.5
171.07970	0.5
183.04489	0.6
184.05293	15.2
185.05757	0.7
189.07678	0.8
197.06075	0.6
198.06859	0.4
198.99312	0.3
199.07597	0.4
211.03990	1.2
212.04784	29.6
213.05215	1.4
223.04037	0.5
224.04773	0.7
227.07140	21.8
228.07401	1.1
239.03526	1.2
240.04274	43.5
241.04623	2.3
255.06618	100.0
256.06970	4.8
285.09839	3.3
457.17151	50.9
458.17465	4.0
552.05835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62392	1.4
69.62799	0.6
71.01380	8.8
71.05028	0.6
71.34657	0.3
72.99291	1.1
73.02943	1.4
75.72688	0.4
81.07095	0.4
83.05023	0.6
85.02945	2.4
89.02429	3.1
95.01354	0.4
96.99364	0.3
99.00878	0.5
99.08151	28.6
100.08491	0.5
101.02430	3.3
101.06071	1.8
109.06612	0.5
113.02458	2.4
115.00365	6.7
117.03426	0.7
119.03491	0.8
119.05015	1.5
123.04520	5.5
127.07646	35.4
128.08043	0.8
129.05573	52.5
130.05910	1.5
133.01447	1.0
138.03201	0.5
143.03458	0.6
145.02950	1.2
153.05565	23.8
159.02950	0.8
161.04527	3.5
163.04002	2.0
165.53502	0.3
171.06618	6.1
179.05627	1.7
197.85048	0.3
203.14453	0.3
217.79387	0.4
222.31416	0.4
263.11307	5.5
264.11465	0.5
279.04959	0.4
332.75211	0.3
383.09811	5.6
401.10764	4.4
402.11267	0.3
417.17490	2.1
435.18655	100.0
436.19009	7.8
516.53888	0.4
547.14337	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	983.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99835	0.6
69.03441	1.7
69.18909	2.1
69.19331	2.6
69.94293	0.4
71.01375	20.3
72.82418	0.5
72.99290	1.9
73.02935	2.9
75.00845	0.5
76.33904	0.5
80.02682	0.6
81.03449	3.4
83.01375	7.0
83.05024	2.5
85.02950	5.1
87.00867	5.3
89.02439	18.8
93.03450	0.9
95.01369	1.6
95.05016	2.0
97.02936	6.3
97.06596	4.1
98.19900	0.9
99.00900	1.6
99.04522	0.6
101.02433	17.0
106.04298	0.6
108.21724	0.5
109.02956	0.5
109.06553	1.4
111.00936	0.5
111.04542	1.2
113.02436	10.0
119.03491	6.6
119.08634	0.6
121.06618	1.0
123.04519	4.4
123.08147	1.8
125.02450	9.5
125.09725	8.1
131.03465	1.1
133.05064	0.6
135.08134	1.6
137.06081	0.9
137.09727	3.9
139.03964	0.8
141.01984	0.7
141.12852	1.3
142.02719	0.9
143.03493	3.4
149.04549	0.7
149.06035	2.0
149.09660	0.6
159.00716	0.4
161.04529	4.6
161.09743	0.7
162.10469	0.7
163.07631	0.9
163.11244	7.0
165.05537	0.4
165.09172	0.5
165.12843	1.4
167.10825	1.2
177.12875	0.7
179.05594	4.4
179.10818	0.9
181.12302	1.6
185.11794	5.9
191.10843	2.4
191.14400	5.8
207.10205	4.6
209.11810	34.0
210.12053	1.4
210.84982	0.5
211.13307	1.1
217.07111	0.9
217.16010	0.8
221.06628	2.1
225.11263	3.4
235.08182	10.6
243.17590	0.5
245.06786	0.6
245.19077	13.0
253.09256	1.8
263.07666	1.0
263.10461	0.5
263.20245	1.1
271.17081	1.8
277.21686	57.7
278.21951	3.6
287.07715	4.0
287.16455	0.6
289.18073	42.0
290.18439	1.7
305.08795	3.8
307.19113	40.9
308.19449	2.6
323.09692	1.0
389.81494	0.5
397.13452	100.0
398.13843	5.7
415.14511	32.4
416.14703	1.2
514.03217	0.5
597.78986	0.6
675.36121	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	985.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.1
74.54104	0.2
77.03971	0.5
81.07101	0.4
83.05028	0.7
85.02946	0.6
93.03457	0.6
95.05014	4.8
98.20744	0.5
99.08152	32.1
100.08472	0.3
101.02455	0.8
105.03469	0.8
109.06577	1.2
113.02455	0.5
121.02967	0.7
123.04517	100.0
124.04839	2.3
127.07645	55.5
128.08011	1.1
129.05571	34.5
130.05930	0.7
138.03241	1.6
138.64410	0.2
143.07138	0.3
146.06125	0.3
149.02455	1.1
149.88571	0.2
153.05563	55.9
154.05887	1.4
161.04536	1.5
171.06615	14.4
172.06987	0.4
189.07678	2.1
191.54912	0.2
277.21701	13.3
278.22028	0.8
285.09787	4.6
291.23306	0.3
319.22809	0.4
421.25888	0.3
439.16022	3.2
457.17105	35.4
458.17413	2.6
473.03201	0.2
523.08252	0.3
545.31226	3.6
546.31598	0.4
552.83923	0.2
699.37695	0.7
717.38483	22.4
718.38568	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	985.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85693	0.6
71.01387	1.0
73.02945	0.4
77.03970	0.5
81.07102	0.3
82.23833	0.2
83.05020	0.8
85.02953	1.0
93.03451	0.4
95.05023	4.1
99.08157	33.4
100.08504	0.7
101.02441	1.0
105.03415	1.2
109.06584	1.2
113.02470	0.7
121.02943	0.6
123.04524	100.0
124.04870	2.1
127.07652	57.1
128.07986	0.9
129.05579	44.7
130.05939	0.8
138.03198	1.5
143.07286	0.2
149.02444	0.9
153.05573	56.5
154.05902	1.5
161.04588	1.7
171.06622	15.0
172.06949	0.3
188.21431	0.2
189.07686	2.5
245.17407	0.3
254.82637	0.2
255.23212	1.1
256.23618	0.3
277.21701	11.9
278.22037	0.9
285.09787	6.2
303.16782	0.3
319.22787	0.3
333.99277	0.2
409.38275	0.2
421.26154	0.4
439.16086	4.3
457.17136	27.4
458.17532	2.3
545.31250	3.1
687.94891	0.3
699.37854	1.0
717.38525	37.4
718.38824	6.2
779.79694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73307	0.2
69.03471	0.5
71.01382	4.1
72.99319	0.4
73.02965	0.6
80.02688	0.2
81.03483	0.3
83.01390	0.3
83.05056	0.6
85.02957	0.8
87.00893	0.8
89.02438	2.8
93.07111	0.2
95.01341	0.2
95.05055	0.3
95.22392	0.2
97.02979	0.5
97.06593	0.3
98.20694	0.3
99.00896	0.2
101.02441	2.5
107.08700	0.3
107.99243	0.2
109.02955	0.4
109.06623	0.4
111.04460	0.2
111.08157	1.5
113.02437	1.1
113.09690	0.2
119.03511	0.7
123.08188	0.3
125.02457	1.2
125.09708	1.0
127.11304	1.6
129.09213	0.3
131.03525	0.2
136.63947	0.2
137.02472	0.2
137.06107	0.2
137.09674	0.3
138.06834	0.3
141.09238	0.4
143.03534	0.4
149.09700	0.2
151.03998	0.2
151.07703	0.5
151.11288	0.7
153.09238	0.6
153.12852	3.7
155.10796	1.4
161.04538	0.6
161.09808	0.3
165.12866	0.5
167.10762	1.4
169.12364	0.7
179.05579	0.4
179.10811	0.8
179.14421	1.8
181.12347	3.2
191.14449	0.2
193.15973	0.8
193.31345	0.2
197.11827	2.6
199.13385	1.0
207.13916	1.6
209.15475	0.6
213.14937	0.2
215.12877	0.7
217.15945	0.3
219.17436	0.2
225.11389	0.2
226.12048	0.7
227.12900	1.0
228.13617	0.8
229.19598	0.2
231.17664	0.3
235.08247	1.4
241.14453	0.3
247.20653	4.1
248.20955	0.3
253.09306	0.2
253.21759	0.2
263.20126	0.5
265.21658	0.6
273.18616	2.6
274.18866	0.3
277.09439	0.3
277.21695	7.8
278.22055	0.6
281.21246	1.3
287.07599	0.5
289.18066	0.3
291.19644	24.7
292.19962	1.4
305.08661	0.5
308.19321	0.4
309.20682	100.0
310.17468	0.4
310.21033	6.0
323.10010	0.2
397.13477	11.2
398.13849	0.5
415.14569	3.8
416.15024	0.3
427.63507	0.2
519.28943	0.2
675.35797	0.5
874.59515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64880	0.2
70.65223	0.3
71.01373	1.3
73.02927	0.6
77.03960	0.3
81.07094	0.5
83.05023	0.5
85.02941	0.9
93.03465	0.7
95.05020	4.0
99.08151	31.3
99.92593	0.3
100.08501	0.5
101.02428	0.7
101.06091	0.4
105.01950	0.2
105.03409	1.1
109.06599	1.3
113.02441	0.6
116.92857	1.2
121.02965	0.9
123.04519	100.0
124.04852	2.3
127.07645	57.5
128.07980	1.3
129.05573	45.2
130.05875	0.8
138.03198	1.7
143.03442	0.2
143.07097	0.2
149.02458	1.0
153.05565	56.8
154.05870	1.4
159.03049	0.2
161.04552	2.0
171.06618	14.0
172.06960	0.4
189.07675	2.7
279.23260	11.8
280.23529	0.9
285.09790	7.0
286.10147	0.4
293.24850	0.2
321.24213	0.4
336.34714	0.2
423.27252	0.2
439.16055	4.1
440.16571	0.2
455.46509	0.2
457.17105	28.1
458.17374	2.4
547.32739	3.6
548.33246	0.4
701.38910	1.0
702.39606	0.2
719.40045	39.7
720.40466	6.2
720.50055	0.1
875.37250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99800	1.0
69.03456	2.0
69.45156	0.8
71.01379	24.2
71.50679	1.2
72.99309	1.8
73.02954	3.3
80.02688	0.9
81.03453	3.8
83.01376	8.0
83.05022	2.7
85.02950	5.1
87.00900	5.8
89.02444	20.3
95.01380	2.0
95.05002	1.2
97.02946	5.1
97.06590	3.2
99.00891	1.6
99.04471	0.9
101.02444	18.8
109.06611	1.2
111.08147	1.0
113.02451	9.4
116.92823	1.2
119.03496	5.5
123.04549	1.6
123.08159	3.3
125.02444	7.8
125.09738	6.3
125.41248	0.7
131.03506	1.1
133.05127	1.0
135.08156	1.1
137.09717	1.7
139.03960	0.9
139.11304	5.4
143.03487	3.2
149.04597	0.9
151.04004	0.9
151.07642	1.4
161.04543	6.1
163.11290	5.3
165.12836	9.2
167.10789	3.9
167.23291	0.7
169.04999	0.7
171.10168	1.0
179.05602	3.7
181.12340	2.4
181.39330	0.8
191.10793	2.1
193.15965	2.1
207.10208	1.9
209.11819	44.4
209.15157	1.6
210.12202	2.7
221.06653	1.2
235.08228	10.1
247.20662	6.7
253.09346	1.5
263.07773	1.3
264.68323	0.8
265.21671	2.2
273.18613	2.5
277.09277	1.0
279.23270	70.3
280.23703	4.1
281.21103	1.5
287.07715	3.8
291.19669	40.9
292.19867	1.3
305.08762	3.7
309.15109	3.2
309.20682	58.9
310.21039	4.5
323.09784	1.2
397.13489	100.0
398.13675	5.4
399.13879	0.9
415.14557	35.6
416.14874	2.2
677.37891	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	987.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.8
71.01378	8.3
71.05424	0.3
71.05767	0.3
72.99273	0.6
73.02940	1.7
81.03455	0.4
83.01386	1.2
83.05003	0.7
85.02937	2.0
86.00098	0.3
87.00871	1.9
89.02439	7.5
93.28610	0.3
95.01373	0.7
96.68793	0.2
96.69422	0.2
97.02946	1.5
97.06583	0.5
99.00850	0.4
99.08135	2.0
101.01804	0.5
101.02438	7.0
110.63879	0.2
111.00856	0.3
111.08146	0.3
113.02444	3.7
113.09747	1.8
119.03495	2.4
121.10220	0.2
123.08125	0.4
125.02441	3.2
125.09700	0.7
127.07640	0.5
127.11277	0.7
129.09219	4.0
131.03467	0.3
134.92618	0.2
139.03923	0.3
139.11302	1.5
143.03499	1.2
149.04491	0.4
151.11215	0.5
153.12823	0.5
155.10770	0.5
161.04544	1.8
167.10718	0.6
167.14400	0.5
167.26547	0.3
169.12341	1.6
171.10263	6.5
177.12674	0.3
179.05592	2.1
181.12340	2.9
183.10287	0.4
183.13882	1.7
185.04541	0.2
185.11777	1.2
193.12279	0.7
195.13820	0.3
197.11810	6.0
198.12151	0.3
199.13377	3.0
200.13667	0.3
201.11293	0.9
209.11848	0.2
210.80983	0.3
211.13370	11.6
212.13622	0.5
221.06561	0.6
231.21199	0.3
235.06047	0.4
235.08232	4.1
236.75807	0.2
245.06461	0.2
249.22130	0.4
253.09232	0.9
263.07767	0.7
265.21622	0.7
275.20117	1.7
277.21707	22.6
278.22046	1.5
287.07764	1.5
293.21219	9.3
294.21671	0.4
305.08752	1.5
309.20770	0.2
310.21024	0.2
311.22244	100.0
312.22623	6.1
323.09714	0.7
379.12244	0.6
397.13470	39.5
398.13812	2.2
415.14526	13.2
416.14905	1.0
534.41071	0.3
538.48334	0.3
592.62134	0.2
675.35638	1.6
874.31689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.9
69.19262	6.0
71.01379	43.6
72.94637	0.6
72.99315	3.5
73.02934	0.9
83.01398	0.7
85.02952	3.6
87.00855	1.3
89.02431	15.1
89.02950	1.1
93.03448	8.2
95.01391	1.8
95.05037	1.2
96.99298	3.9
99.00874	2.1
101.02432	8.2
101.20480	0.5
113.02451	8.3
115.00365	83.2
116.00669	1.2
117.03461	1.2
119.03545	6.5
119.05022	20.4
121.02916	1.1
123.04516	46.6
124.04858	0.9
130.04256	0.8
131.03523	0.6
131.05043	1.3
132.05818	0.7
133.01427	2.5
133.02980	1.0
137.02428	0.7
143.03503	2.1
143.05002	6.6
145.02904	1.6
145.06563	0.7
153.05569	2.0
157.01382	2.8
161.04579	4.1
163.03999	8.7
171.04500	1.2
179.05612	21.6
180.05823	0.9
211.07632	3.0
217.03532	2.4
221.09584	0.9
222.06737	0.7
223.07613	1.3
235.07652	1.6
237.09181	4.6
239.10663	1.8
261.03918	0.7
265.08652	9.2
277.05643	6.2
283.09677	5.2
285.09824	1.3
295.06561	0.8
309.07666	3.0
327.08698	76.5
328.09067	4.2
374.16437	0.6
383.09793	100.0
384.10098	6.7
401.10812	18.1
402.11169	1.7
439.15903	1.4
443.09854	0.7
473.14438	0.7
545.14661	1.1
547.14404	3.4
605.14941	1.1
633.06714	0.6
711.19177	18.3
712.19946	2.8
989.27185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72923	0.7
70.73295	0.7
71.01382	1.2
73.02954	0.4
77.03973	0.6
83.05029	0.5
85.02946	0.9
93.03446	0.3
95.05013	4.6
95.39103	0.3
99.08155	31.9
100.08516	0.6
101.02413	0.9
101.06094	0.6
105.03447	1.1
109.06573	1.7
113.02426	0.6
121.02969	1.0
123.04522	100.0
124.04874	1.9
127.07649	54.4
128.07983	1.4
129.05579	44.3
130.05888	1.0
138.03253	1.6
149.02444	1.2
153.05566	54.7
154.05925	1.6
161.04558	1.7
171.06621	11.4
189.07648	2.2
196.21002	0.4
281.24835	11.6
282.25354	0.5
285.09805	5.4
293.21146	0.7
308.99158	0.3
433.78836	0.3
439.16037	3.6
457.17130	29.0
458.17477	2.1
506.11368	0.4
549.34076	3.6
550.35138	0.4
703.40814	1.0
721.41638	44.5
722.42004	6.4
979.31036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14956	34.7
69.15381	31.8
71.01378	22.5
73.02951	7.1
82.90810	7.5
87.00867	7.2
88.98829	11.4
89.02444	12.7
93.03501	9.8
101.02441	16.4
113.02401	17.2
123.04522	25.7
127.07655	29.8
129.05638	11.6
133.01480	9.8
138.80661	6.5
153.05576	79.4
161.04562	11.0
171.06619	17.1
175.02519	6.9
439.15973	100.0
457.17416	11.7
661.23560	92.3
815.53308	8.1
992.32489	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	992.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14956	34.7
69.15381	31.8
71.01378	22.5
73.02951	7.1
82.90810	7.5
87.00867	7.2
88.98829	11.4
89.02444	12.7
93.03501	9.8
101.02441	16.4
113.02401	17.2
123.04522	25.7
127.07655	29.8
129.05638	11.6
133.01480	9.8
138.80661	6.5
153.05576	79.4
161.04562	11.0
171.06619	17.1
175.02519	6.9
439.15973	100.0
457.17416	11.7
661.23560	92.3
815.53308	8.1
992.32489	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	992.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60857	0.4
69.61267	0.5
71.01377	2.7
73.02918	0.5
80.05054	0.2
83.01361	0.6
85.02947	1.5
95.01386	0.7
98.20667	0.2
99.00862	0.3
101.02437	1.6
104.05061	0.8
106.06618	75.8
107.06944	1.7
108.08182	3.6
113.01716	0.2
113.02451	2.3
115.00359	0.3
118.06619	2.0
119.05040	0.3
120.08188	1.1
123.04475	0.2
130.06606	1.5
131.03740	1.0
132.04538	0.6
134.06100	0.4
136.07666	0.4
145.02934	0.2
146.06097	1.6
150.05592	61.8
151.05954	1.5
159.03018	0.2
161.04539	0.4
162.05547	0.7
163.03993	0.2
164.07150	16.8
165.07465	0.5
171.24986	0.2
174.05527	1.5
176.07120	0.2
192.06644	10.4
193.07025	0.3
194.04558	18.6
195.04881	0.5
204.06702	0.2
222.07758	0.5
236.05615	4.8
250.07146	1.0
266.06552	0.3
278.06573	1.3
279.06973	0.2
296.07736	3.9
338.08795	0.5
356.09824	100.0
357.10138	4.4
365.46460	0.2
369.19159	0.7
387.20236	1.3
398.10886	2.8
399.10593	0.2
428.12100	0.2
429.21198	1.3
458.13000	1.1
518.15088	5.5
519.15320	0.3
539.36603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.579
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19853	100.0
132.30602	56.9
270.78070	56.5
316.45901	66.6
337.80432	59.4
482.68787	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	993.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37556	3.2
71.01378	7.0
72.99307	0.4
73.02934	3.1
83.01379	1.2
83.05059	0.5
85.02939	1.4
89.02433	5.8
98.19954	0.9
99.08147	12.9
100.08577	0.5
101.02433	6.2
113.02448	3.2
119.03511	2.4
123.04518	20.0
127.07642	90.1
128.07985	1.6
129.05568	13.3
131.03503	1.0
143.03423	0.6
149.04579	0.8
153.05565	10.9
155.03493	0.4
161.04549	2.8
167.46039	0.4
171.06607	52.4
172.06969	1.2
173.69513	0.4
179.05589	0.9
189.07684	1.6
197.93169	0.4
221.06656	0.8
260.75101	0.5
285.09772	3.9
307.14142	0.5
351.12921	100.0
352.13208	4.3
371.20581	0.5
413.21780	1.8
439.15625	0.6
457.17099	36.9
458.17346	2.4
521.56543	0.4
533.22211	0.4
535.31189	7.4
536.31628	0.6
578.95313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77991	100.0
85.21816	22.1
89.51611	17.5
216.39540	18.7
597.47003	20.1
734.77954	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	998.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57304	100.0
71.82159	53.8
73.36707	68.7
75.93324	77.9
131.63190	55.9
215.86725	63.3
347.40851	55.2
381.44601	64.6
545.02319	77.8
907.46320	77.4
END